data_4AQD # _entry.id 4AQD # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4AQD PDBE EBI-52078 WWPDB D_1290052078 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 1EHO unspecified 'MODEL OF (-)-COCAINE-BOUND BCHE COMPLEX.' PDB 1EHQ unspecified 'MODEL OF (+)-COCAINE-BOUND BCHE COMPLEX' PDB 1KCJ unspecified 'MODEL OF (-)-COCAINE-BOUND (-)-COCAINE HYDROLASE COMPLEX' PDB 1P0I unspecified 'CRYSTAL STRUCTURE OF HUMAN BUTYRYL CHOLINESTERASE' PDB 1P0M unspecified 'CRYSTAL STRUCTURE OF HUMAN BUTYRYL CHOLINESTERASE INCOMPLEX WITH A CHOLINE MOLECULE' PDB 1P0P unspecified 'CRYSTAL STRUCTURE OF SOMAN-AGED HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH THE SUBSTRATE ANALOGBUTYRYLTHIOCHOLINE' PDB 1P0Q unspecified 'CRYSTAL STRUCTURE OF SOMAN-AGED HUMAN BUTYRYL CHOLINESTERASE' PDB 1XLU unspecified 'X-RAY STRUCTURE OF DI-ISOPROPYL-PHOSPHORO-FLUORIDATE ( DFP)INHIBITED BUTYRYLCHOLINESTERASE AFTER AGING' PDB 1XLV unspecified 'ETHYLPHOSPHORYLATED BUTYRYLCHOLINESTERASE (AGED) OBTAINEDBY REACTION WITH ECHOTHIOPHATE' PDB 1XLW unspecified 'DIETHYLPHOSPHORYLATED BUTYRYLCHOLINESTERASE (NONAGED)OBTAINED BY REACTION WITH ECHOTHIOPHATE' PDB 2J4C unspecified 'STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH 10MM HGCL2' PDB 2WID unspecified 'AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1' PDB 2WIF unspecified 'AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1' PDB 2WIG unspecified 'NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA4' PDB 2WIJ unspecified 'NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5' PDB 2WIK unspecified 'NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA6' PDB 2WIL unspecified 'AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5' PDB 2WSL unspecified 'AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA4' PDB 2XMB unspecified 'G117H MUTANT OF HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH SULFATE' PDB 2XMC unspecified 'G117H MUTANT OF HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH FLUORIDE ANION' PDB 2XMD unspecified 'G117H MUTANT OF HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH ECHOTHIOPHATE' PDB 2XMG unspecified 'G117H MUTANT OF HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH VX' PDB 2XQF unspecified 'X-RAY STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY RACEMIC VX' PDB 2XQG unspecified 'X-RAY STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY RACEMIC VR' PDB 2XQI unspecified 'X-RAY STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY RACEMIC CVX' PDB 2XQJ unspecified 'X-RAY STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY PURE ENANTIOMER VX-(R)' PDB 2XQK unspecified 'X-RAY STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY PURE ENANTIOMER VX-(S)' PDB 2Y1K unspecified 'STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY CBDP (12H SOAK): PHOSPHOSERINE ADDUCT' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4AQD _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2012-04-16 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Brazzolotto, X.' 1 'Wandhammer, M.' 2 'Ronco, C.' 3 'Trovaslet, M.' 4 'Jean, L.' 5 'Lockridge, O.' 6 'Renard, P.Y.' 7 'Nachon, F.' 8 # _citation.id primary _citation.title 'Human Butyrylcholinesterase Produced in Insect Cells: Huprine-Based Affinity Purification, Crystal Structure' _citation.journal_abbrev 'FEBS J.' _citation.journal_volume 279 _citation.page_first 2905 _citation.page_last ? _citation.year 2012 _citation.journal_id_ASTM ? _citation.country UK _citation.journal_id_ISSN 1742-464X _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 22726956 _citation.pdbx_database_id_DOI 10.1111/J.1742-4658.2012.08672.X # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Brazzolotto, X.' 1 primary 'Wandhammer, M.' 2 primary 'Ronco, C.' 3 primary 'Trovaslet, M.' 4 primary 'Jean, L.' 5 primary 'Lockridge, O.' 6 primary 'Renard, P.Y.' 7 primary 'Nachon, F.' 8 # _cell.entry_id 4AQD _cell.length_a 72.750 _cell.length_b 79.260 _cell.length_c 227.200 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4AQD _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 # 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 59901.672 2 3.1.1.8 ? 'RESIDUES 27-557' ? 2 non-polymer syn BETA-ALANINE 89.093 2 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 24 ? ? ? ? 4 non-polymer man BETA-L-FUCOSE 164.156 6 ? ? ? ? 5 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 6 non-polymer syn 'TETRAETHYLENE GLYCOL' 194.226 2 ? ? ? ? 7 non-polymer syn 1,2-ETHANEDIOL 62.068 19 ? ? ? ? 8 non-polymer syn 'UNKNOWN ATOM OR ION' ? 10 ? ? ? ? 9 non-polymer syn 'CHLORIDE ION' 35.453 7 ? ? ? ? 10 non-polymer syn GLYCINE 75.067 2 ? ? ? ? 11 non-polymer syn 'DI(HYDROXYETHYL)ETHER' 106.120 2 ? ? ? ? 12 water nat water 18.015 278 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;RSEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHG SEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPG NPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYE ARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQIL VGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNF ICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYG NPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKV ; _entity_poly.pdbx_seq_one_letter_code_can ;RSEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHG SEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPG NPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYE ARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQIL VGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNF ICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYG NPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKV ; _entity_poly.pdbx_strand_id A,B _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 ARG n 1 2 SER n 1 3 GLU n 1 4 ASP n 1 5 ASP n 1 6 ILE n 1 7 ILE n 1 8 ILE n 1 9 ALA n 1 10 THR n 1 11 LYS n 1 12 ASN n 1 13 GLY n 1 14 LYS n 1 15 VAL n 1 16 ARG n 1 17 GLY n 1 18 MET n 1 19 ASN n 1 20 LEU n 1 21 THR n 1 22 VAL n 1 23 PHE n 1 24 GLY n 1 25 GLY n 1 26 THR n 1 27 VAL n 1 28 THR n 1 29 ALA n 1 30 PHE n 1 31 LEU n 1 32 GLY n 1 33 ILE n 1 34 PRO n 1 35 TYR n 1 36 ALA n 1 37 GLN n 1 38 PRO n 1 39 PRO n 1 40 LEU n 1 41 GLY n 1 42 ARG n 1 43 LEU n 1 44 ARG n 1 45 PHE n 1 46 LYS n 1 47 LYS n 1 48 PRO n 1 49 GLN n 1 50 SER n 1 51 LEU n 1 52 THR n 1 53 LYS n 1 54 TRP n 1 55 SER n 1 56 ASP n 1 57 ILE n 1 58 TRP n 1 59 ASN n 1 60 ALA n 1 61 THR n 1 62 LYS n 1 63 TYR n 1 64 ALA n 1 65 ASN n 1 66 SER n 1 67 CYS n 1 68 CYS n 1 69 GLN n 1 70 ASN n 1 71 ILE n 1 72 ASP n 1 73 GLN n 1 74 SER n 1 75 PHE n 1 76 PRO n 1 77 GLY n 1 78 PHE n 1 79 HIS n 1 80 GLY n 1 81 SER n 1 82 GLU n 1 83 MET n 1 84 TRP n 1 85 ASN n 1 86 PRO n 1 87 ASN n 1 88 THR n 1 89 ASP n 1 90 LEU n 1 91 SER n 1 92 GLU n 1 93 ASP n 1 94 CYS n 1 95 LEU n 1 96 TYR n 1 97 LEU n 1 98 ASN n 1 99 VAL n 1 100 TRP n 1 101 ILE n 1 102 PRO n 1 103 ALA n 1 104 PRO n 1 105 LYS n 1 106 PRO n 1 107 LYS n 1 108 ASN n 1 109 ALA n 1 110 THR n 1 111 VAL n 1 112 LEU n 1 113 ILE n 1 114 TRP n 1 115 ILE n 1 116 TYR n 1 117 GLY n 1 118 GLY n 1 119 GLY n 1 120 PHE n 1 121 GLN n 1 122 THR n 1 123 GLY n 1 124 THR n 1 125 SER n 1 126 SER n 1 127 LEU n 1 128 HIS n 1 129 VAL n 1 130 TYR n 1 131 ASP n 1 132 GLY n 1 133 LYS n 1 134 PHE n 1 135 LEU n 1 136 ALA n 1 137 ARG n 1 138 VAL n 1 139 GLU n 1 140 ARG n 1 141 VAL n 1 142 ILE n 1 143 VAL n 1 144 VAL n 1 145 SER n 1 146 MET n 1 147 ASN n 1 148 TYR n 1 149 ARG n 1 150 VAL n 1 151 GLY n 1 152 ALA n 1 153 LEU n 1 154 GLY n 1 155 PHE n 1 156 LEU n 1 157 ALA n 1 158 LEU n 1 159 PRO n 1 160 GLY n 1 161 ASN n 1 162 PRO n 1 163 GLU n 1 164 ALA n 1 165 PRO n 1 166 GLY n 1 167 ASN n 1 168 MET n 1 169 GLY n 1 170 LEU n 1 171 PHE n 1 172 ASP n 1 173 GLN n 1 174 GLN n 1 175 LEU n 1 176 ALA n 1 177 LEU n 1 178 GLN n 1 179 TRP n 1 180 VAL n 1 181 GLN n 1 182 LYS n 1 183 ASN n 1 184 ILE n 1 185 ALA n 1 186 ALA n 1 187 PHE n 1 188 GLY n 1 189 GLY n 1 190 ASN n 1 191 PRO n 1 192 LYS n 1 193 SER n 1 194 VAL n 1 195 THR n 1 196 LEU n 1 197 PHE n 1 198 GLY n 1 199 GLU n 1 200 SER n 1 201 ALA n 1 202 GLY n 1 203 ALA n 1 204 ALA n 1 205 SER n 1 206 VAL n 1 207 SER n 1 208 LEU n 1 209 HIS n 1 210 LEU n 1 211 LEU n 1 212 SER n 1 213 PRO n 1 214 GLY n 1 215 SER n 1 216 HIS n 1 217 SER n 1 218 LEU n 1 219 PHE n 1 220 THR n 1 221 ARG n 1 222 ALA n 1 223 ILE n 1 224 LEU n 1 225 GLN n 1 226 SER n 1 227 GLY n 1 228 SER n 1 229 PHE n 1 230 ASN n 1 231 ALA n 1 232 PRO n 1 233 TRP n 1 234 ALA n 1 235 VAL n 1 236 THR n 1 237 SER n 1 238 LEU n 1 239 TYR n 1 240 GLU n 1 241 ALA n 1 242 ARG n 1 243 ASN n 1 244 ARG n 1 245 THR n 1 246 LEU n 1 247 ASN n 1 248 LEU n 1 249 ALA n 1 250 LYS n 1 251 LEU n 1 252 THR n 1 253 GLY n 1 254 CYS n 1 255 SER n 1 256 ARG n 1 257 GLU n 1 258 ASN n 1 259 GLU n 1 260 THR n 1 261 GLU n 1 262 ILE n 1 263 ILE n 1 264 LYS n 1 265 CYS n 1 266 LEU n 1 267 ARG n 1 268 ASN n 1 269 LYS n 1 270 ASP n 1 271 PRO n 1 272 GLN n 1 273 GLU n 1 274 ILE n 1 275 LEU n 1 276 LEU n 1 277 ASN n 1 278 GLU n 1 279 ALA n 1 280 PHE n 1 281 VAL n 1 282 VAL n 1 283 PRO n 1 284 TYR n 1 285 GLY n 1 286 THR n 1 287 PRO n 1 288 LEU n 1 289 SER n 1 290 VAL n 1 291 ASN n 1 292 PHE n 1 293 GLY n 1 294 PRO n 1 295 THR n 1 296 VAL n 1 297 ASP n 1 298 GLY n 1 299 ASP n 1 300 PHE n 1 301 LEU n 1 302 THR n 1 303 ASP n 1 304 MET n 1 305 PRO n 1 306 ASP n 1 307 ILE n 1 308 LEU n 1 309 LEU n 1 310 GLU n 1 311 LEU n 1 312 GLY n 1 313 GLN n 1 314 PHE n 1 315 LYS n 1 316 LYS n 1 317 THR n 1 318 GLN n 1 319 ILE n 1 320 LEU n 1 321 VAL n 1 322 GLY n 1 323 VAL n 1 324 ASN n 1 325 LYS n 1 326 ASP n 1 327 GLU n 1 328 GLY n 1 329 THR n 1 330 ALA n 1 331 PHE n 1 332 LEU n 1 333 VAL n 1 334 TYR n 1 335 GLY n 1 336 ALA n 1 337 PRO n 1 338 GLY n 1 339 PHE n 1 340 SER n 1 341 LYS n 1 342 ASP n 1 343 ASN n 1 344 ASN n 1 345 SER n 1 346 ILE n 1 347 ILE n 1 348 THR n 1 349 ARG n 1 350 LYS n 1 351 GLU n 1 352 PHE n 1 353 GLN n 1 354 GLU n 1 355 GLY n 1 356 LEU n 1 357 LYS n 1 358 ILE n 1 359 PHE n 1 360 PHE n 1 361 PRO n 1 362 GLY n 1 363 VAL n 1 364 SER n 1 365 GLU n 1 366 PHE n 1 367 GLY n 1 368 LYS n 1 369 GLU n 1 370 SER n 1 371 ILE n 1 372 LEU n 1 373 PHE n 1 374 HIS n 1 375 TYR n 1 376 THR n 1 377 ASP n 1 378 TRP n 1 379 VAL n 1 380 ASP n 1 381 ASP n 1 382 GLN n 1 383 ARG n 1 384 PRO n 1 385 GLU n 1 386 ASN n 1 387 TYR n 1 388 ARG n 1 389 GLU n 1 390 ALA n 1 391 LEU n 1 392 GLY n 1 393 ASP n 1 394 VAL n 1 395 VAL n 1 396 GLY n 1 397 ASP n 1 398 TYR n 1 399 ASN n 1 400 PHE n 1 401 ILE n 1 402 CYS n 1 403 PRO n 1 404 ALA n 1 405 LEU n 1 406 GLU n 1 407 PHE n 1 408 THR n 1 409 LYS n 1 410 LYS n 1 411 PHE n 1 412 SER n 1 413 GLU n 1 414 TRP n 1 415 GLY n 1 416 ASN n 1 417 ASN n 1 418 ALA n 1 419 PHE n 1 420 PHE n 1 421 TYR n 1 422 TYR n 1 423 PHE n 1 424 GLU n 1 425 HIS n 1 426 ARG n 1 427 SER n 1 428 SER n 1 429 LYS n 1 430 LEU n 1 431 PRO n 1 432 TRP n 1 433 PRO n 1 434 GLU n 1 435 TRP n 1 436 MET n 1 437 GLY n 1 438 VAL n 1 439 MET n 1 440 HIS n 1 441 GLY n 1 442 TYR n 1 443 GLU n 1 444 ILE n 1 445 GLU n 1 446 PHE n 1 447 VAL n 1 448 PHE n 1 449 GLY n 1 450 LEU n 1 451 PRO n 1 452 LEU n 1 453 GLU n 1 454 ARG n 1 455 ARG n 1 456 ASP n 1 457 ASN n 1 458 TYR n 1 459 THR n 1 460 LYS n 1 461 ALA n 1 462 GLU n 1 463 GLU n 1 464 ILE n 1 465 LEU n 1 466 SER n 1 467 ARG n 1 468 SER n 1 469 ILE n 1 470 VAL n 1 471 LYS n 1 472 ARG n 1 473 TRP n 1 474 ALA n 1 475 ASN n 1 476 PHE n 1 477 ALA n 1 478 LYS n 1 479 TYR n 1 480 GLY n 1 481 ASN n 1 482 PRO n 1 483 ASN n 1 484 GLU n 1 485 THR n 1 486 GLN n 1 487 ASN n 1 488 ASN n 1 489 SER n 1 490 THR n 1 491 SER n 1 492 TRP n 1 493 PRO n 1 494 VAL n 1 495 PHE n 1 496 LYS n 1 497 SER n 1 498 THR n 1 499 GLU n 1 500 GLN n 1 501 LYS n 1 502 TYR n 1 503 LEU n 1 504 THR n 1 505 LEU n 1 506 ASN n 1 507 THR n 1 508 GLU n 1 509 SER n 1 510 THR n 1 511 ARG n 1 512 ILE n 1 513 MET n 1 514 THR n 1 515 LYS n 1 516 LEU n 1 517 ARG n 1 518 ALA n 1 519 GLN n 1 520 GLN n 1 521 CYS n 1 522 ARG n 1 523 PHE n 1 524 TRP n 1 525 THR n 1 526 SER n 1 527 PHE n 1 528 PHE n 1 529 PRO n 1 530 LYS n 1 531 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 ? _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 'FRUIT FLY' _entity_src_gen.pdbx_host_org_scientific_name 'DROSOPHILA MELANOGASTER' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7227 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line S2 _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type PLASMID _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PMT-BIP _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code CHLE_HUMAN _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P06276 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4AQD A 1 ? 531 ? P06276 27 ? 557 ? -1 529 2 1 4AQD B 1 ? 531 ? P06276 27 ? 557 ? -1 529 # 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 BAL peptide-like . BETA-ALANINE ? 'C3 H7 N O2' 89.093 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 FUL L-saccharide . BETA-L-FUCOSE 6-DEOXY-BETA-L-GALACTOSE 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PEG non-polymer . 'DI(HYDROXYETHYL)ETHER' ? 'C4 H10 O3' 106.120 PG4 non-polymer . 'TETRAETHYLENE GLYCOL' ? 'C8 H18 O5' 194.226 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 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 UNX non-polymer . 'UNKNOWN ATOM OR ION' ? ? ? VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4AQD _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.7 _exptl_crystal.density_percent_sol 55 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.4 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details 'PROTEIN WAS CRYSTALLIZED FROM 20% PEG 3350, 0.2 M NH4OAC PH 7.4, AT 293 K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.pdbx_collection_date 2011-05-08 _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 'SILICON (1 1 1)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97939 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID23-1' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID23-1 _diffrn_source.pdbx_wavelength 0.97939 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4AQD _reflns.observed_criterion_sigma_I -3.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 39.00 _reflns.d_resolution_high 2.50 _reflns.number_obs 46071 _reflns.number_all ? _reflns.percent_possible_obs 99.4 _reflns.pdbx_Rmerge_I_obs 0.06 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 22.30 _reflns.B_iso_Wilson_estimate 46.58 _reflns.pdbx_redundancy 6.1 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.50 _reflns_shell.d_res_low 2.60 _reflns_shell.percent_possible_all 97.7 _reflns_shell.Rmerge_I_obs 0.64 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 3.30 _reflns_shell.pdbx_redundancy 5.3 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4AQD _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 46071 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.36 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 39.041 _refine.ls_d_res_high 2.500 _refine.ls_percent_reflns_obs 99.39 _refine.ls_R_factor_obs 0.1652 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1632 _refine.ls_R_factor_R_free 0.2320 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 3.0 _refine.ls_number_reflns_R_free 1381 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] 4.5507 _refine.aniso_B[2][2] -5.2688 _refine.aniso_B[3][3] 0.7181 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.362 _refine.solvent_model_param_bsol 61.675 _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.98 _refine.pdbx_ls_cross_valid_method ? _refine.details ;A BETA-ALANINE WAS MODELED AT BOND DISTANCE TO THE CATALYTIC SERINE. A PEAK OF ELECTRON DENSITY CLOSE TO A PEAK OF ELECTRON DENSITY CLOSE TO TRP82 WAS MODELED AS DUMMY ATOMS (RESIDUES UNX). ; _refine.pdbx_starting_model 'PDB ENTRY 1P0I' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.35 _refine.pdbx_overall_phase_error 22.76 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 8390 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 562 _refine_hist.number_atoms_solvent 278 _refine_hist.number_atoms_total 9230 _refine_hist.d_res_high 2.500 _refine_hist.d_res_low 39.041 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.008 ? ? 9212 'X-RAY DIFFRACTION' ? f_angle_d 1.231 ? ? 12488 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 22.726 ? ? 3471 'X-RAY DIFFRACTION' ? f_chiral_restr 0.077 ? ? 1386 'X-RAY DIFFRACTION' ? f_plane_restr 0.005 ? ? 1550 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all 'X-RAY DIFFRACTION' . 2.5002 2.5895 4308 0.2453 98.00 0.3135 . . 133 . . 'X-RAY DIFFRACTION' . 2.5895 2.6932 4426 0.2142 99.00 0.3217 . . 137 . . 'X-RAY DIFFRACTION' . 2.6932 2.8157 4399 0.1862 100.00 0.2446 . . 136 . . 'X-RAY DIFFRACTION' . 2.8157 2.9641 4412 0.1720 100.00 0.2477 . . 136 . . 'X-RAY DIFFRACTION' . 2.9641 3.1498 4461 0.1636 100.00 0.2576 . . 138 . . 'X-RAY DIFFRACTION' . 3.1498 3.3928 4439 0.1691 100.00 0.2790 . . 138 . . 'X-RAY DIFFRACTION' . 3.3928 3.7340 4464 0.1637 100.00 0.2370 . . 138 . . 'X-RAY DIFFRACTION' . 3.7340 4.2738 4533 0.1394 100.00 0.1991 . . 140 . . 'X-RAY DIFFRACTION' . 4.2738 5.3823 4532 0.1366 100.00 0.1978 . . 140 . . 'X-RAY DIFFRACTION' . 5.3823 39.0453 4716 0.1708 99.00 0.2153 . . 145 . . # _struct.entry_id 4AQD _struct.title 'Crystal structure of fully glycosylated human butyrylcholinesterase' _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 4AQD _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, ACETYLCHOLINESTERASE, EXPRESSION, HUPRINE, SERINE HYDROLASE, CATALYTIC TRIAD, INSECT CELLS, GLYCOSYLATIONS' # 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 1 ? C N N 2 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 3 ? H N N 4 ? I N N 3 ? J N N 3 ? K N N 3 ? L N N 3 ? M N N 4 ? N N N 3 ? O N N 3 ? P N N 3 ? Q N N 5 ? R N N 3 ? S N N 3 ? T N N 4 ? U N N 6 ? V N N 6 ? W N N 7 ? X N N 7 ? Y N N 7 ? Z N N 7 ? AA N N 7 ? BA N N 7 ? CA N N 7 ? DA N N 7 ? EA N N 7 ? FA N N 8 ? GA N N 8 ? HA N N 8 ? IA N N 8 ? JA N N 9 ? KA N N 9 ? LA N N 9 ? MA N N 8 ? NA N N 10 ? OA N N 2 ? PA N N 3 ? QA N N 3 ? RA N N 3 ? SA N N 3 ? TA N N 3 ? UA N N 4 ? VA N N 3 ? WA N N 3 ? XA N N 4 ? YA N N 3 ? ZA N N 3 ? AB N N 3 ? BB N N 4 ? CB N N 3 ? DB N N 11 ? EB N N 11 ? FB N N 7 ? GB N N 7 ? HB N N 7 ? IB N N 7 ? JB N N 7 ? KB N N 7 ? LB N N 7 ? MB N N 7 ? NB N N 7 ? OB N N 7 ? PB N N 8 ? QB N N 8 ? RB N N 8 ? SB N N 8 ? TB N N 9 ? UB N N 9 ? VB N N 8 ? WB N N 9 ? XB N N 9 ? YB N N 10 ? ZB N N 12 ? AC N N 12 ? # _struct_biol.id 1 # 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 40 ? ARG A 44 ? LEU A 38 ARG A 42 5 ? 5 HELX_P HELX_P2 2 PHE A 78 ? MET A 83 ? PHE A 76 MET A 81 1 ? 6 HELX_P HELX_P3 3 LEU A 127 ? ASP A 131 ? LEU A 125 ASP A 129 5 ? 5 HELX_P HELX_P4 4 GLY A 132 ? ARG A 140 ? GLY A 130 ARG A 138 1 ? 9 HELX_P HELX_P5 5 VAL A 150 ? LEU A 156 ? VAL A 148 LEU A 154 1 ? 7 HELX_P HELX_P6 6 ASN A 167 ? ILE A 184 ? ASN A 165 ILE A 182 1 ? 18 HELX_P HELX_P7 7 ALA A 185 ? PHE A 187 ? ALA A 183 PHE A 185 5 ? 3 HELX_P HELX_P8 8 SER A 200 ? SER A 212 ? SER A 198 SER A 210 1 ? 13 HELX_P HELX_P9 9 SER A 237 ? THR A 252 ? SER A 235 THR A 250 1 ? 16 HELX_P HELX_P10 10 ASN A 258 ? ARG A 267 ? ASN A 256 ARG A 265 1 ? 10 HELX_P HELX_P11 11 ASP A 270 ? LEU A 276 ? ASP A 268 LEU A 274 1 ? 7 HELX_P HELX_P12 12 ASN A 277 ? VAL A 281 ? ASN A 275 VAL A 279 5 ? 5 HELX_P HELX_P13 13 MET A 304 ? LEU A 311 ? MET A 302 LEU A 309 1 ? 8 HELX_P HELX_P14 14 GLY A 328 ? VAL A 333 ? GLY A 326 VAL A 331 1 ? 6 HELX_P HELX_P15 15 THR A 348 ? PHE A 360 ? THR A 346 PHE A 358 1 ? 13 HELX_P HELX_P16 16 SER A 364 ? TYR A 375 ? SER A 362 TYR A 373 1 ? 12 HELX_P HELX_P17 17 GLU A 385 ? PHE A 400 ? GLU A 383 PHE A 398 1 ? 16 HELX_P HELX_P18 18 PHE A 400 ? GLU A 413 ? PHE A 398 GLU A 411 1 ? 14 HELX_P HELX_P19 19 PRO A 433 ? GLY A 437 ? PRO A 431 GLY A 435 5 ? 5 HELX_P HELX_P20 20 GLU A 443 ? PHE A 448 ? GLU A 441 PHE A 446 1 ? 6 HELX_P HELX_P21 21 GLY A 449 ? GLU A 453 ? GLY A 447 GLU A 451 5 ? 5 HELX_P HELX_P22 22 GLU A 453 ? ASN A 457 ? GLU A 451 ASN A 455 5 ? 5 HELX_P HELX_P23 23 THR A 459 ? GLY A 480 ? THR A 457 GLY A 478 1 ? 22 HELX_P HELX_P24 24 ARG A 517 ? PHE A 527 ? ARG A 515 PHE A 525 1 ? 11 HELX_P HELX_P25 25 PHE A 528 ? VAL A 531 ? PHE A 526 VAL A 529 5 ? 4 HELX_P HELX_P26 26 LEU B 40 ? ARG B 44 ? LEU B 38 ARG B 42 5 ? 5 HELX_P HELX_P27 27 PHE B 78 ? MET B 83 ? PHE B 76 MET B 81 1 ? 6 HELX_P HELX_P28 28 LEU B 127 ? ASP B 131 ? LEU B 125 ASP B 129 5 ? 5 HELX_P HELX_P29 29 GLY B 132 ? ARG B 140 ? GLY B 130 ARG B 138 1 ? 9 HELX_P HELX_P30 30 VAL B 150 ? LEU B 156 ? VAL B 148 LEU B 154 1 ? 7 HELX_P HELX_P31 31 ASN B 167 ? ILE B 184 ? ASN B 165 ILE B 182 1 ? 18 HELX_P HELX_P32 32 ALA B 185 ? PHE B 187 ? ALA B 183 PHE B 185 5 ? 3 HELX_P HELX_P33 33 SER B 200 ? LEU B 210 ? SER B 198 LEU B 208 1 ? 11 HELX_P HELX_P34 34 SER B 212 ? PHE B 219 ? SER B 210 PHE B 217 5 ? 8 HELX_P HELX_P35 35 SER B 237 ? THR B 252 ? SER B 235 THR B 250 1 ? 16 HELX_P HELX_P36 36 ASN B 258 ? LYS B 269 ? ASN B 256 LYS B 267 1 ? 12 HELX_P HELX_P37 37 ASP B 270 ? LEU B 276 ? ASP B 268 LEU B 274 1 ? 7 HELX_P HELX_P38 38 ASN B 277 ? VAL B 281 ? ASN B 275 VAL B 279 5 ? 5 HELX_P HELX_P39 39 MET B 304 ? GLY B 312 ? MET B 302 GLY B 310 1 ? 9 HELX_P HELX_P40 40 GLY B 328 ? VAL B 333 ? GLY B 326 VAL B 331 1 ? 6 HELX_P HELX_P41 41 THR B 348 ? PHE B 360 ? THR B 346 PHE B 358 1 ? 13 HELX_P HELX_P42 42 SER B 364 ? TYR B 375 ? SER B 362 TYR B 373 1 ? 12 HELX_P HELX_P43 43 GLU B 385 ? PHE B 400 ? GLU B 383 PHE B 398 1 ? 16 HELX_P HELX_P44 44 PHE B 400 ? GLU B 413 ? PHE B 398 GLU B 411 1 ? 14 HELX_P HELX_P45 45 PRO B 433 ? GLY B 437 ? PRO B 431 GLY B 435 5 ? 5 HELX_P HELX_P46 46 GLU B 443 ? PHE B 448 ? GLU B 441 PHE B 446 1 ? 6 HELX_P HELX_P47 47 GLY B 449 ? GLU B 453 ? GLY B 447 GLU B 451 5 ? 5 HELX_P HELX_P48 48 THR B 459 ? GLY B 480 ? THR B 457 GLY B 478 1 ? 22 HELX_P HELX_P49 49 ARG B 517 ? PHE B 527 ? ARG B 515 PHE B 525 1 ? 11 HELX_P HELX_P50 50 PHE B 528 ? VAL B 531 ? PHE B 526 VAL B 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 67 SG ? ? ? 1_555 A CYS 94 SG ? ? A CYS 65 A CYS 92 1_555 ? ? ? ? ? ? ? 2.040 ? disulf2 disulf ? ? A CYS 254 SG ? ? ? 1_555 A CYS 265 SG ? ? A CYS 252 A CYS 263 1_555 ? ? ? ? ? ? ? 2.058 ? disulf3 disulf ? ? A CYS 402 SG ? ? ? 1_555 A CYS 521 SG ? ? A CYS 400 A CYS 519 1_555 ? ? ? ? ? ? ? 2.065 ? disulf4 disulf ? ? B CYS 67 SG ? ? ? 1_555 B CYS 94 SG ? ? B CYS 65 B CYS 92 1_555 ? ? ? ? ? ? ? 2.047 ? disulf5 disulf ? ? B CYS 254 SG ? ? ? 1_555 B CYS 265 SG ? ? B CYS 252 B CYS 263 1_555 ? ? ? ? ? ? ? 2.060 ? disulf6 disulf ? ? B CYS 402 SG ? ? ? 1_555 B CYS 521 SG ? ? B CYS 400 B CYS 519 1_555 ? ? ? ? ? ? ? 2.060 ? covale1 covale ? ? A ASN 19 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 17 A NAG 601 1_555 ? ? ? ? ? ? ? 1.447 ? covale2 covale ? ? A ASN 59 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 57 A NAG 611 1_555 ? ? ? ? ? ? ? 1.453 ? covale3 covale ? ? A ASN 108 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 106 A NAG 621 1_555 ? ? ? ? ? ? ? 1.439 ? covale4 covale ? ? A ASN 243 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 241 A NAG 631 1_555 ? ? ? ? ? ? ? 1.443 ? covale5 covale ? ? A ASN 343 ND2 ? ? ? 1_555 N NAG . C1 ? ? A ASN 341 A NAG 651 1_555 ? ? ? ? ? ? ? 1.443 ? covale6 covale ? ? A ASN 483 ND2 ? ? ? 1_555 O NAG . C1 ? ? A ASN 481 A NAG 671 1_555 ? ? ? ? ? ? ? 1.452 ? covale7 covale ? ? A ASN 488 ND2 ? ? ? 1_555 R NAG . C1 ? ? A ASN 486 A NAG 681 1_555 ? ? ? ? ? ? ? 1.444 ? covale8 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 601 A NAG 602 1_555 ? ? ? ? ? ? ? 1.449 ? covale9 covale ? ? F NAG . O6 ? ? ? 1_555 H FUL . C1 ? ? A NAG 611 A FUL 613 1_555 ? ? ? ? ? ? ? 1.436 ? covale10 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 611 A NAG 612 1_555 ? ? ? ? ? ? ? 1.455 ? covale11 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 621 A NAG 622 1_555 ? ? ? ? ? ? ? 1.457 ? covale12 covale ? ? K NAG . O6 ? ? ? 1_555 M FUL . C1 ? ? A NAG 631 A FUL 633 1_555 ? ? ? ? ? ? ? 1.448 ? covale13 covale ? ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? A NAG 631 A NAG 632 1_555 ? ? ? ? ? ? ? 1.448 ? covale14 covale ? ? O NAG . O4 ? ? ? 1_555 P NAG . C1 ? ? A NAG 671 A NAG 672 1_555 ? ? ? ? ? ? ? 1.441 ? covale15 covale ? ? P NAG . O4 ? ? ? 1_555 Q MAN . C1 ? ? A NAG 672 A MAN 673 1_555 ? ? ? ? ? ? ? 1.448 ? covale16 covale ? ? R NAG . O6 ? ? ? 1_555 T FUL . C1 ? ? A NAG 681 A FUL 683 1_555 ? ? ? ? ? ? ? 1.441 ? covale17 covale ? ? R NAG . O4 ? ? ? 1_555 S NAG . C1 ? ? A NAG 681 A NAG 682 1_555 ? ? ? ? ? ? ? 1.446 ? covale18 covale ? ? B ASN 19 ND2 ? ? ? 1_555 PA NAG . C1 ? ? B ASN 17 B NAG 601 1_555 ? ? ? ? ? ? ? 1.452 ? covale19 covale ? ? B ASN 59 ND2 ? ? ? 1_555 QA NAG . C1 ? ? B ASN 57 B NAG 611 1_555 ? ? ? ? ? ? ? 1.445 ? covale20 covale ? ? B ASN 108 ND2 ? ? ? 1_555 RA NAG . C1 ? ? B ASN 106 B NAG 621 1_555 ? ? ? ? ? ? ? 1.446 ? covale21 covale ? ? B ASN 243 ND2 ? ? ? 1_555 SA NAG . C1 ? ? B ASN 241 B NAG 631 1_555 ? ? ? ? ? ? ? 1.446 ? covale22 covale ? ? B ASN 258 ND2 ? ? ? 1_555 VA NAG . C1 ? ? B ASN 256 B NAG 641 1_555 ? ? ? ? ? ? ? 1.449 ? covale23 covale ? ? B ASN 343 ND2 ? ? ? 1_555 YA NAG . C1 ? ? B ASN 341 B NAG 651 1_555 ? ? ? ? ? ? ? 1.457 ? covale24 covale ? ? B ASN 457 ND2 ? ? ? 1_555 ZA NAG . C1 ? ? B ASN 455 B NAG 661 1_555 ? ? ? ? ? ? ? 1.468 ? covale25 covale ? ? B ASN 483 ND2 ? ? ? 1_555 CB NAG . C1 ? ? B ASN 481 B NAG 671 1_555 ? ? ? ? ? ? ? 1.449 ? covale26 covale ? ? SA NAG . O6 ? ? ? 1_555 UA FUL . C1 ? ? B NAG 631 B FUL 633 1_555 ? ? ? ? ? ? ? 1.451 ? covale27 covale ? ? SA NAG . O4 ? ? ? 1_555 TA NAG . C1 ? ? B NAG 631 B NAG 632 1_555 ? ? ? ? ? ? ? 1.444 ? covale28 covale ? ? VA NAG . O6 ? ? ? 1_555 XA FUL . C1 ? ? B NAG 641 B FUL 643 1_555 ? ? ? ? ? ? ? 1.434 ? covale29 covale ? ? VA NAG . O4 ? ? ? 1_555 WA NAG . C1 ? ? B NAG 641 B NAG 642 1_555 ? ? ? ? ? ? ? 1.445 ? covale30 covale ? ? ZA NAG . O6 ? ? ? 1_555 BB FUL . C1 ? ? B NAG 661 B FUL 663 1_555 ? ? ? ? ? ? ? 1.456 ? covale31 covale ? ? ZA NAG . O4 ? ? ? 1_555 AB NAG . C1 ? ? B NAG 661 B NAG 662 1_555 ? ? ? ? ? ? ? 1.445 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ALA 103 A . ? ALA 101 A PRO 104 A ? PRO 102 A 1 -0.57 2 ASP 381 A . ? ASP 379 A GLN 382 A ? GLN 380 A 1 -3.65 3 ALA 103 B . ? ALA 101 B PRO 104 B ? PRO 102 B 1 -0.70 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 3 ? AB ? 11 ? AC ? 2 ? BA ? 3 ? BB ? 11 ? BC ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA 1 2 ? anti-parallel AA 2 3 ? parallel AB 1 2 ? anti-parallel AB 2 3 ? anti-parallel AB 3 4 ? anti-parallel AB 4 5 ? parallel AB 5 6 ? parallel AB 6 7 ? parallel AB 7 8 ? parallel AB 8 9 ? parallel AB 9 10 ? parallel AB 10 11 ? anti-parallel AC 1 2 ? parallel BA 1 2 ? anti-parallel BA 2 3 ? parallel BB 1 2 ? anti-parallel BB 2 3 ? anti-parallel BB 3 4 ? anti-parallel BB 4 5 ? parallel BB 5 6 ? parallel BB 6 7 ? parallel BB 7 8 ? parallel BB 8 9 ? parallel BB 9 10 ? parallel BB 10 11 ? anti-parallel BC 1 2 ? parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA 1 ILE A 7 ? THR A 10 ? ILE A 5 THR A 8 AA 2 GLY A 13 ? ARG A 16 ? GLY A 11 ARG A 14 AA 3 TRP A 58 ? ASN A 59 ? TRP A 56 ASN A 57 AB 1 MET A 18 ? VAL A 22 ? MET A 16 VAL A 20 AB 2 GLY A 25 ? PRO A 34 ? GLY A 23 PRO A 32 AB 3 TYR A 96 ? PRO A 102 ? TYR A 94 PRO A 100 AB 4 ILE A 142 ? MET A 146 ? ILE A 140 MET A 144 AB 5 ALA A 109 ? ILE A 115 ? ALA A 107 ILE A 113 AB 6 GLY A 189 ? GLU A 199 ? GLY A 187 GLU A 197 AB 7 ARG A 221 ? GLN A 225 ? ARG A 219 GLN A 223 AB 8 ILE A 319 ? ASN A 324 ? ILE A 317 ASN A 322 AB 9 ALA A 418 ? PHE A 423 ? ALA A 416 PHE A 421 AB 10 LYS A 501 ? LEU A 505 ? LYS A 499 LEU A 503 AB 11 ILE A 512 ? THR A 514 ? ILE A 510 THR A 512 AC 1 SER A 66 ? CYS A 67 ? SER A 64 CYS A 65 AC 2 LEU A 90 ? SER A 91 ? LEU A 88 SER A 89 BA 1 ILE B 7 ? ALA B 9 ? ILE B 5 ALA B 7 BA 2 LYS B 14 ? ARG B 16 ? LYS B 12 ARG B 14 BA 3 TRP B 58 ? ASN B 59 ? TRP B 56 ASN B 57 BB 1 MET B 18 ? VAL B 22 ? MET B 16 VAL B 20 BB 2 GLY B 25 ? PRO B 34 ? GLY B 23 PRO B 32 BB 3 TYR B 96 ? PRO B 102 ? TYR B 94 PRO B 100 BB 4 ILE B 142 ? MET B 146 ? ILE B 140 MET B 144 BB 5 ALA B 109 ? ILE B 115 ? ALA B 107 ILE B 113 BB 6 GLY B 189 ? GLU B 199 ? GLY B 187 GLU B 197 BB 7 ARG B 221 ? GLN B 225 ? ARG B 219 GLN B 223 BB 8 ILE B 319 ? ASN B 324 ? ILE B 317 ASN B 322 BB 9 ALA B 418 ? PHE B 423 ? ALA B 416 PHE B 421 BB 10 LYS B 501 ? LEU B 505 ? LYS B 499 LEU B 503 BB 11 ILE B 512 ? THR B 514 ? ILE B 510 THR B 512 BC 1 SER B 66 ? CYS B 67 ? SER B 64 CYS B 65 BC 2 LEU B 90 ? SER B 91 ? LEU B 88 SER B 89 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA 1 2 N THR A 10 ? N THR A 8 O GLY A 13 ? O GLY A 11 AA 2 3 N ARG A 16 ? N ARG A 14 O TRP A 58 ? O TRP A 56 AB 1 2 N VAL A 22 ? N VAL A 20 O GLY A 25 ? O GLY A 23 AB 2 3 N ILE A 33 ? N ILE A 31 O LEU A 97 ? O LEU A 95 AB 3 4 N TRP A 100 ? N TRP A 98 O VAL A 143 ? O VAL A 141 AB 4 5 N ILE A 142 ? N ILE A 140 O THR A 110 ? O THR A 108 AB 5 6 O ALA A 109 ? O ALA A 107 N ASN A 190 ? N ASN A 188 AB 6 7 N LEU A 196 ? N LEU A 194 O ARG A 221 ? O ARG A 219 AB 7 8 N LEU A 224 ? N LEU A 222 O LEU A 320 ? O LEU A 318 AB 8 9 N VAL A 321 ? N VAL A 319 O PHE A 419 ? O PHE A 417 AB 9 10 N TYR A 422 ? N TYR A 420 O LEU A 503 ? O LEU A 501 AB 10 11 N TYR A 502 ? N TYR A 500 O MET A 513 ? O MET A 511 AC 1 2 O SER A 66 ? O SER A 64 N SER A 91 ? N SER A 89 BA 1 2 N ILE B 8 ? N ILE B 6 O VAL B 15 ? O VAL B 13 BA 2 3 N ARG B 16 ? N ARG B 14 O TRP B 58 ? O TRP B 56 BB 1 2 N VAL B 22 ? N VAL B 20 O GLY B 25 ? O GLY B 23 BB 2 3 N ILE B 33 ? N ILE B 31 O LEU B 97 ? O LEU B 95 BB 3 4 N TRP B 100 ? N TRP B 98 O VAL B 143 ? O VAL B 141 BB 4 5 N ILE B 142 ? N ILE B 140 O THR B 110 ? O THR B 108 BB 5 6 O ALA B 109 ? O ALA B 107 N ASN B 190 ? N ASN B 188 BB 6 7 N LEU B 196 ? N LEU B 194 O ARG B 221 ? O ARG B 219 BB 7 8 N LEU B 224 ? N LEU B 222 O LEU B 320 ? O LEU B 318 BB 8 9 N VAL B 321 ? N VAL B 319 O PHE B 419 ? O PHE B 417 BB 9 10 N TYR B 422 ? N TYR B 420 O LEU B 503 ? O LEU B 501 BB 10 11 N TYR B 502 ? N TYR B 500 O MET B 513 ? O MET B 511 BC 1 2 O SER B 66 ? O SER B 64 N SER B 91 ? N SER B 89 # 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 BAL A 550' AC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE PG4 A 1530' AC3 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE PG4 A 1531' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE EDO A 1532' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO A 1533' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE EDO A 1534' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE EDO A 1535' AC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO A 1536' AC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO A 1537' BC1 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE EDO A 1538' BC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE EDO A 1539' BC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO A 1540' BC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE CL A 1545' BC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CL A 1546' BC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE CL A 1547' BC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE GLY A 1643' BC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE BAL B 550' BC9 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE PEG B 1530' CC1 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE PEG B 1531' CC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO B 1532' CC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE EDO B 1533' CC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE EDO B 1534' CC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE EDO B 1535' CC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE EDO B 1536' CC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO B 1537' CC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE EDO B 1538' CC9 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE EDO B 1539' DC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO B 1540' DC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE EDO B 1541' DC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL B 1546' DC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL B 1547' DC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE GLY B 1642' DC6 Software ? ? ? ? 3 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 17 RESIDUES 601 TO 602' DC7 Software ? ? ? ? 4 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 57 RESIDUES 611 TO 613' DC8 Software ? ? ? ? 3 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 106 RESIDUES 621 TO 622' DC9 Software ? ? ? ? 7 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 241 RESIDUES 631 TO 633' EC1 Software ? ? ? ? 3 'BINDING SITE FOR MONO-SACCHARIDE NAG A 651 BOUND TO ASN A 341' EC2 Software ? ? ? ? 10 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 481 RESIDUES 671 TO 673' EC3 Software ? ? ? ? 6 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 486 RESIDUES 681 TO 683' EC4 Software ? ? ? ? 2 'BINDING SITE FOR MONO-SACCHARIDE NAG B 601 BOUND TO ASN B 17' EC5 Software ? ? ? ? 2 'BINDING SITE FOR MONO-SACCHARIDE NAG B 611 BOUND TO ASN B 57' EC6 Software ? ? ? ? 3 'BINDING SITE FOR MONO-SACCHARIDE NAG B 621 BOUND TO ASN B 106' EC7 Software ? ? ? ? 7 'BINDING SITE FOR CHAIN B OF SUGAR BOUND TO ASN B 241 RESIDUES 631 TO 633' EC8 Software ? ? ? ? 4 'BINDING SITE FOR CHAIN B OF SUGAR BOUND TO ASN B 256 RESIDUES 641 TO 643' EC9 Software ? ? ? ? 3 'BINDING SITE FOR MONO-SACCHARIDE NAG B 651 BOUND TO ASN B 341' FC1 Software ? ? ? ? 6 'BINDING SITE FOR CHAIN B OF SUGAR BOUND TO ASN B 455 RESIDUES 661 TO 663' FC2 Software ? ? ? ? 2 'BINDING SITE FOR MONO-SACCHARIDE NAG B 671 BOUND TO ASN B 481' # 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 GLY A 118 ? GLY A 116 . ? 1_555 ? 2 AC1 6 GLY A 119 ? GLY A 117 . ? 1_555 ? 3 AC1 6 SER A 200 ? SER A 198 . ? 1_555 ? 4 AC1 6 ALA A 201 ? ALA A 199 . ? 1_555 ? 5 AC1 6 HIS A 440 ? HIS A 438 . ? 1_555 ? 6 AC1 6 HOH ZB . ? HOH A 2156 . ? 1_555 ? 7 AC2 2 ASN A 457 ? ASN A 455 . ? 1_555 ? 8 AC2 2 NAG E . ? NAG A 602 . ? 4_555 ? 9 AC3 7 LEU A 309 ? LEU A 307 . ? 1_555 ? 10 AC3 7 GLU A 310 ? GLU A 308 . ? 1_555 ? 11 AC3 7 LYS A 410 ? LYS A 408 . ? 1_555 ? 12 AC3 7 GLU A 413 ? GLU A 411 . ? 1_555 ? 13 AC3 7 TRP A 414 ? TRP A 412 . ? 1_555 ? 14 AC3 7 LYS B 250 ? LYS B 248 . ? 1_555 ? 15 AC3 7 GLY B 253 ? GLY B 251 . ? 1_555 ? 16 AC4 3 CYS A 402 ? CYS A 400 . ? 1_555 ? 17 AC4 3 PRO A 403 ? PRO A 401 . ? 1_555 ? 18 AC4 3 THR A 525 ? THR A 523 . ? 1_555 ? 19 AC5 4 PHE A 23 ? PHE A 21 . ? 1_555 ? 20 AC5 4 LEU A 452 ? LEU A 450 . ? 1_555 ? 21 AC5 4 GLU A 453 ? GLU A 451 . ? 1_555 ? 22 AC5 4 ARG A 454 ? ARG A 452 . ? 1_555 ? 23 AC6 3 HIS A 79 ? HIS A 77 . ? 1_555 ? 24 AC6 3 LYS A 429 ? LYS A 427 . ? 1_555 ? 25 AC6 3 GLU A 445 ? GLU A 443 . ? 1_555 ? 26 AC7 2 LYS A 496 ? LYS A 494 . ? 1_555 ? 27 AC7 2 THR A 498 ? THR A 496 . ? 1_555 ? 28 AC8 4 HIS A 425 ? HIS A 423 . ? 1_555 ? 29 AC8 4 ASN A 506 ? ASN A 504 . ? 1_555 ? 30 AC8 4 THR A 507 ? THR A 505 . ? 1_555 ? 31 AC8 4 HOH ZB . ? HOH A 2123 . ? 1_555 ? 32 AC9 4 ASN A 481 ? ASN A 479 . ? 1_555 ? 33 AC9 4 TRP A 492 ? TRP A 490 . ? 1_555 ? 34 AC9 4 HOH ZB . ? HOH A 2137 . ? 1_555 ? 35 AC9 4 GLN B 73 ? GLN B 71 . ? 1_555 ? 36 BC1 7 LEU A 31 ? LEU A 29 . ? 1_555 ? 37 BC1 7 GLY A 32 ? GLY A 30 . ? 1_555 ? 38 BC1 7 TRP A 58 ? TRP A 56 . ? 1_555 ? 39 BC1 7 ASN A 59 ? ASN A 57 . ? 1_555 ? 40 BC1 7 LYS A 62 ? LYS A 60 . ? 1_555 ? 41 BC1 7 ALA A 64 ? ALA A 62 . ? 1_555 ? 42 BC1 7 HOH ZB . ? HOH A 2021 . ? 1_555 ? 43 BC2 3 GLY A 118 ? GLY A 116 . ? 1_555 ? 44 BC2 3 THR A 122 ? THR A 120 . ? 1_555 ? 45 BC2 3 HOH ZB . ? HOH A 2156 . ? 1_555 ? 46 BC3 4 TYR A 35 ? TYR A 33 . ? 1_555 ? 47 BC3 4 SER A 50 ? SER A 48 . ? 1_555 ? 48 BC3 4 LEU A 51 ? LEU A 49 . ? 1_555 ? 49 BC3 4 LYS A 182 ? LYS A 180 . ? 1_555 ? 50 BC4 1 ARG A 467 ? ARG A 465 . ? 1_555 ? 51 BC5 4 ARG A 472 ? ARG A 470 . ? 1_555 ? 52 BC5 4 ASN A 483 ? ASN A 481 . ? 1_555 ? 53 BC5 4 SER A 491 ? SER A 489 . ? 1_555 ? 54 BC5 4 TRP A 492 ? TRP A 490 . ? 1_555 ? 55 BC6 1 ARG A 388 ? ARG A 386 . ? 1_555 ? 56 BC7 5 LEU A 20 ? LEU A 18 . ? 1_555 ? 57 BC7 5 TYR A 63 ? TYR A 61 . ? 1_555 ? 58 BC7 5 TRP A 100 ? TRP A 98 . ? 1_555 ? 59 BC7 5 ASP A 131 ? ASP A 129 . ? 1_555 ? 60 BC7 5 LYS A 133 ? LYS A 131 . ? 1_555 ? 61 BC8 6 GLY B 118 ? GLY B 116 . ? 1_555 ? 62 BC8 6 GLY B 119 ? GLY B 117 . ? 1_555 ? 63 BC8 6 SER B 200 ? SER B 198 . ? 1_555 ? 64 BC8 6 ALA B 201 ? ALA B 199 . ? 1_555 ? 65 BC8 6 HIS B 440 ? HIS B 438 . ? 1_555 ? 66 BC8 6 HOH AC . ? HOH B 2070 . ? 1_555 ? 67 BC9 7 HIS B 209 ? HIS B 207 . ? 1_555 ? 68 BC9 7 LEU B 210 ? LEU B 208 . ? 1_555 ? 69 BC9 7 LEU B 211 ? LEU B 209 . ? 1_555 ? 70 BC9 7 SER B 212 ? SER B 210 . ? 1_555 ? 71 BC9 7 HIS B 216 ? HIS B 214 . ? 1_555 ? 72 BC9 7 GLN B 313 ? GLN B 311 . ? 1_555 ? 73 BC9 7 LYS B 315 ? LYS B 313 . ? 1_555 ? 74 CC1 8 HIS B 79 ? HIS B 77 . ? 1_555 ? 75 CC1 8 MET B 83 ? MET B 81 . ? 1_555 ? 76 CC1 8 SER B 427 ? SER B 425 . ? 1_555 ? 77 CC1 8 LYS B 429 ? LYS B 427 . ? 1_555 ? 78 CC1 8 LEU B 430 ? LEU B 428 . ? 1_555 ? 79 CC1 8 PRO B 431 ? PRO B 429 . ? 1_555 ? 80 CC1 8 GLU B 445 ? GLU B 443 . ? 1_555 ? 81 CC1 8 HOH AC . ? HOH B 2114 . ? 1_555 ? 82 CC2 4 SER A 370 ? SER A 368 . ? 3_554 ? 83 CC2 4 PHE A 373 ? PHE A 371 . ? 3_554 ? 84 CC2 4 HIS A 374 ? HIS A 372 . ? 3_554 ? 85 CC2 4 PHE B 527 ? PHE B 525 . ? 1_555 ? 86 CC3 3 TYR B 35 ? TYR B 33 . ? 1_555 ? 87 CC3 3 LEU B 51 ? LEU B 49 . ? 1_555 ? 88 CC3 3 LYS B 182 ? LYS B 180 . ? 1_555 ? 89 CC4 6 PRO B 451 ? PRO B 449 . ? 1_555 ? 90 CC4 6 GLU B 453 ? GLU B 451 . ? 1_555 ? 91 CC4 6 ARG B 454 ? ARG B 452 . ? 1_555 ? 92 CC4 6 ASN B 457 ? ASN B 455 . ? 1_555 ? 93 CC4 6 TYR B 458 ? TYR B 456 . ? 1_555 ? 94 CC4 6 GLU B 463 ? GLU B 461 . ? 1_555 ? 95 CC5 3 ASP B 297 ? ASP B 295 . ? 1_555 ? 96 CC5 3 GLU B 499 ? GLU B 497 . ? 3_444 ? 97 CC5 3 LYS B 501 ? LYS B 499 . ? 3_444 ? 98 CC6 1 PRO B 287 ? PRO B 285 . ? 1_555 ? 99 CC7 4 ARG B 267 ? ARG B 265 . ? 1_555 ? 100 CC7 4 ASN B 268 ? ASN B 266 . ? 1_555 ? 101 CC7 4 LYS B 269 ? LYS B 267 . ? 1_555 ? 102 CC7 4 ASP B 270 ? ASP B 268 . ? 1_555 ? 103 CC8 5 THR B 286 ? THR B 284 . ? 1_555 ? 104 CC8 5 PHE B 359 ? PHE B 357 . ? 1_555 ? 105 CC8 5 TYR B 398 ? TYR B 396 . ? 1_555 ? 106 CC8 5 ASN B 399 ? ASN B 397 . ? 1_555 ? 107 CC8 5 HOH AC . ? HOH B 2116 . ? 1_555 ? 108 CC9 8 GLN B 37 ? GLN B 35 . ? 1_555 ? 109 CC9 8 PRO B 39 ? PRO B 37 . ? 1_555 ? 110 CC9 8 LEU B 43 ? LEU B 41 . ? 1_555 ? 111 CC9 8 LYS B 46 ? LYS B 44 . ? 1_555 ? 112 CC9 8 LYS B 47 ? LYS B 45 . ? 1_555 ? 113 CC9 8 PRO B 48 ? PRO B 46 . ? 1_555 ? 114 CC9 8 GLN B 49 ? GLN B 47 . ? 1_555 ? 115 CC9 8 ARG B 149 ? ARG B 147 . ? 1_555 ? 116 DC1 4 ASN B 70 ? ASN B 68 . ? 1_555 ? 117 DC1 4 ASP B 72 ? ASP B 70 . ? 1_555 ? 118 DC1 4 THR B 122 ? THR B 120 . ? 1_555 ? 119 DC1 4 HOH AC . ? HOH B 2117 . ? 1_555 ? 120 DC2 5 LYS B 62 ? LYS B 60 . ? 1_555 ? 121 DC2 5 TYR B 63 ? TYR B 61 . ? 1_555 ? 122 DC2 5 ASN B 65 ? ASN B 63 . ? 1_555 ? 123 DC2 5 THR B 88 ? THR B 86 . ? 1_555 ? 124 DC2 5 ASP B 89 ? ASP B 87 . ? 1_555 ? 125 DC3 2 TRP B 233 ? TRP B 231 . ? 1_555 ? 126 DC3 2 VAL B 290 ? VAL B 288 . ? 1_555 ? 127 DC4 2 LYS B 460 ? LYS B 458 . ? 1_555 ? 128 DC4 2 ILE B 464 ? ILE B 462 . ? 1_555 ? 129 DC5 3 LEU B 20 ? LEU B 18 . ? 1_555 ? 130 DC5 3 ASP B 131 ? ASP B 129 . ? 1_555 ? 131 DC5 3 LYS B 133 ? LYS B 131 . ? 1_555 ? 132 DC6 3 ILE A 6 ? ILE A 4 . ? 1_555 ? 133 DC6 3 ASN A 19 ? ASN A 17 . ? 1_555 ? 134 DC6 3 PG4 U . ? PG4 A 1530 . ? 4_455 ? 135 DC7 4 ARG A 16 ? ARG A 14 . ? 1_555 ? 136 DC7 4 ILE A 57 ? ILE A 55 . ? 1_555 ? 137 DC7 4 ASN A 59 ? ASN A 57 . ? 1_555 ? 138 DC7 4 LYS B 14 ? LYS B 12 . ? 4_555 ? 139 DC8 3 ASN A 108 ? ASN A 106 . ? 1_555 ? 140 DC8 3 ASN A 190 ? ASN A 188 . ? 1_555 ? 141 DC8 3 LYS A 192 ? LYS A 190 . ? 1_555 ? 142 DC9 7 ASN A 243 ? ASN A 241 . ? 1_555 ? 143 DC9 7 ASN A 247 ? ASN A 245 . ? 1_555 ? 144 DC9 7 LYS A 250 ? LYS A 248 . ? 1_555 ? 145 DC9 7 PHE A 280 ? PHE A 278 . ? 1_555 ? 146 DC9 7 PRO A 283 ? PRO A 281 . ? 1_555 ? 147 DC9 7 NAG ZA . ? NAG B 661 . ? 1_545 ? 148 DC9 7 FUL BB . ? FUL B 663 . ? 1_545 ? 149 EC1 3 SER A 340 ? SER A 338 . ? 1_555 ? 150 EC1 3 ASN A 343 ? ASN A 341 . ? 1_555 ? 151 EC1 3 HOH ZB . ? HOH A 2158 . ? 1_555 ? 152 EC2 10 TYR A 479 ? TYR A 477 . ? 1_555 ? 153 EC2 10 ASN A 481 ? ASN A 479 . ? 1_555 ? 154 EC2 10 ASN A 483 ? ASN A 481 . ? 1_555 ? 155 EC2 10 GLU A 484 ? GLU A 482 . ? 1_555 ? 156 EC2 10 THR A 485 ? THR A 483 . ? 1_555 ? 157 EC2 10 GLN A 486 ? GLN A 484 . ? 1_555 ? 158 EC2 10 HOH ZB . ? HOH A 2159 . ? 1_555 ? 159 EC2 10 ASP B 89 ? ASP B 87 . ? 1_555 ? 160 EC2 10 LEU B 90 ? LEU B 88 . ? 1_555 ? 161 EC2 10 GLN B 272 ? GLN B 270 . ? 1_555 ? 162 EC3 6 ASN A 488 ? ASN A 486 . ? 1_555 ? 163 EC3 6 SER A 489 ? SER A 487 . ? 1_555 ? 164 EC3 6 THR A 490 ? THR A 488 . ? 1_555 ? 165 EC3 6 GLU A 508 ? GLU A 506 . ? 1_555 ? 166 EC3 6 THR A 510 ? THR A 508 . ? 1_555 ? 167 EC3 6 GLY B 77 ? GLY B 75 . ? 1_555 ? 168 EC4 2 ASN B 19 ? ASN B 17 . ? 1_555 ? 169 EC4 2 THR B 26 ? THR B 24 . ? 1_555 ? 170 EC5 2 ARG B 16 ? ARG B 14 . ? 1_555 ? 171 EC5 2 ASN B 59 ? ASN B 57 . ? 1_555 ? 172 EC6 3 ASN B 108 ? ASN B 106 . ? 1_555 ? 173 EC6 3 ASN B 190 ? ASN B 188 . ? 1_555 ? 174 EC6 3 LYS B 192 ? LYS B 190 . ? 1_555 ? 175 EC7 7 TYR B 239 ? TYR B 237 . ? 1_555 ? 176 EC7 7 ASN B 243 ? ASN B 241 . ? 1_555 ? 177 EC7 7 ASN B 247 ? ASN B 245 . ? 1_555 ? 178 EC7 7 LYS B 250 ? LYS B 248 . ? 1_555 ? 179 EC7 7 LEU B 251 ? LEU B 249 . ? 1_555 ? 180 EC7 7 PHE B 280 ? PHE B 278 . ? 1_555 ? 181 EC7 7 TYR B 284 ? TYR B 282 . ? 1_555 ? 182 EC8 4 GLU B 257 ? GLU B 255 . ? 1_555 ? 183 EC8 4 ASN B 258 ? ASN B 256 . ? 1_555 ? 184 EC8 4 GLU B 261 ? GLU B 259 . ? 1_555 ? 185 EC8 4 GLU B 413 ? GLU B 411 . ? 3_444 ? 186 EC9 3 SER B 340 ? SER B 338 . ? 1_555 ? 187 EC9 3 ASN B 343 ? ASN B 341 . ? 1_555 ? 188 EC9 3 ASN B 344 ? ASN B 342 . ? 1_555 ? 189 FC1 6 TYR A 239 ? TYR A 237 . ? 1_565 ? 190 FC1 6 LEU A 246 ? LEU A 244 . ? 1_565 ? 191 FC1 6 NAG K . ? NAG A 631 . ? 1_565 ? 192 FC1 6 LYS B 429 ? LYS B 427 . ? 1_555 ? 193 FC1 6 ASP B 456 ? ASP B 454 . ? 1_555 ? 194 FC1 6 ASN B 457 ? ASN B 455 . ? 1_555 ? 195 FC2 2 TYR B 479 ? TYR B 477 . ? 1_555 ? 196 FC2 2 ASN B 483 ? ASN B 481 . ? 1_555 ? # _database_PDB_matrix.entry_id 4AQD _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4AQD _atom_sites.fract_transf_matrix[1][1] 0.013746 _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] 0.012617 _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] 0.004401 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL N O S X # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASP A 1 5 ? -21.161 10.394 12.681 1.00 88.13 ? 3 ASP A N 1 ATOM 2 C CA . ASP A 1 5 ? -20.913 9.035 12.205 1.00 93.76 ? 3 ASP A CA 1 ATOM 3 C C . ASP A 1 5 ? -21.120 8.924 10.694 1.00 91.20 ? 3 ASP A C 1 ATOM 4 O O . ASP A 1 5 ? -21.935 9.649 10.118 1.00 93.64 ? 3 ASP A O 1 ATOM 5 C CB . ASP A 1 5 ? -21.821 8.041 12.930 1.00 96.85 ? 3 ASP A CB 1 ATOM 6 C CG . ASP A 1 5 ? -21.117 6.735 13.252 1.00 99.44 ? 3 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 5 ? -20.050 6.467 12.657 1.00 96.57 ? 3 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 5 ? -21.634 5.977 14.104 1.00 101.45 ? 3 ASP A OD2 1 ATOM 9 N N . ILE A 1 6 ? -20.380 8.012 10.062 1.00 82.61 ? 4 ILE A N 1 ATOM 10 C CA . ILE A 1 6 ? -20.477 7.788 8.615 1.00 73.50 ? 4 ILE A CA 1 ATOM 11 C C . ILE A 1 6 ? -21.035 6.398 8.317 1.00 65.38 ? 4 ILE A C 1 ATOM 12 O O . ILE A 1 6 ? -20.307 5.413 8.397 1.00 70.33 ? 4 ILE A O 1 ATOM 13 C CB . ILE A 1 6 ? -19.100 7.889 7.931 1.00 65.73 ? 4 ILE A CB 1 ATOM 14 C CG1 . ILE A 1 6 ? -18.458 9.255 8.174 1.00 55.49 ? 4 ILE A CG1 1 ATOM 15 C CG2 . ILE A 1 6 ? -19.234 7.603 6.457 1.00 63.79 ? 4 ILE A CG2 1 ATOM 16 C CD1 . ILE A 1 6 ? -17.464 9.254 9.307 1.00 60.90 ? 4 ILE A CD1 1 ATOM 17 N N . ILE A 1 7 ? -22.316 6.312 7.973 1.00 54.64 ? 5 ILE A N 1 ATOM 18 C CA . ILE A 1 7 ? -22.980 5.012 7.915 1.00 54.67 ? 5 ILE A CA 1 ATOM 19 C C . ILE A 1 7 ? -23.919 4.861 6.729 1.00 60.67 ? 5 ILE A C 1 ATOM 20 O O . ILE A 1 7 ? -24.816 5.676 6.527 1.00 71.24 ? 5 ILE A O 1 ATOM 21 C CB . ILE A 1 7 ? -23.759 4.712 9.221 1.00 49.63 ? 5 ILE A CB 1 ATOM 22 C CG1 . ILE A 1 7 ? -22.789 4.521 10.386 1.00 52.99 ? 5 ILE A CG1 1 ATOM 23 C CG2 . ILE A 1 7 ? -24.602 3.447 9.073 1.00 47.24 ? 5 ILE A CG2 1 ATOM 24 C CD1 . ILE A 1 7 ? -23.456 4.512 11.736 1.00 60.90 ? 5 ILE A CD1 1 ATOM 25 N N . ILE A 1 8 ? -23.717 3.797 5.960 1.00 51.80 ? 6 ILE A N 1 ATOM 26 C CA . ILE A 1 8 ? -24.536 3.527 4.789 1.00 42.28 ? 6 ILE A CA 1 ATOM 27 C C . ILE A 1 8 ? -25.218 2.184 4.922 1.00 49.11 ? 6 ILE A C 1 ATOM 28 O O . ILE A 1 8 ? -24.567 1.174 5.167 1.00 60.04 ? 6 ILE A O 1 ATOM 29 C CB . ILE A 1 8 ? -23.684 3.534 3.520 1.00 42.47 ? 6 ILE A CB 1 ATOM 30 C CG1 . ILE A 1 8 ? -23.079 4.933 3.311 1.00 39.85 ? 6 ILE A CG1 1 ATOM 31 C CG2 . ILE A 1 8 ? -24.499 3.083 2.309 1.00 40.76 ? 6 ILE A CG2 1 ATOM 32 C CD1 . ILE A 1 8 ? -24.112 5.986 3.016 1.00 41.66 ? 6 ILE A CD1 1 ATOM 33 N N . ALA A 1 9 ? -26.538 2.181 4.785 1.00 47.78 ? 7 ALA A N 1 ATOM 34 C CA . ALA A 1 9 ? -27.311 0.947 4.775 1.00 43.32 ? 7 ALA A CA 1 ATOM 35 C C . ALA A 1 9 ? -27.216 0.278 3.403 1.00 54.02 ? 7 ALA A C 1 ATOM 36 O O . ALA A 1 9 ? -27.573 0.871 2.391 1.00 60.11 ? 7 ALA A O 1 ATOM 37 C CB . ALA A 1 9 ? -28.772 1.226 5.135 1.00 40.87 ? 7 ALA A CB 1 ATOM 38 N N . THR A 1 10 ? -26.719 -0.954 3.378 1.00 60.09 ? 8 THR A N 1 ATOM 39 C CA . THR A 1 10 ? -26.645 -1.727 2.145 1.00 54.25 ? 8 THR A CA 1 ATOM 40 C C . THR A 1 10 ? -27.590 -2.916 2.238 1.00 54.78 ? 8 THR A C 1 ATOM 41 O O . THR A 1 10 ? -28.167 -3.191 3.298 1.00 50.96 ? 8 THR A O 1 ATOM 42 C CB . THR A 1 10 ? -25.218 -2.257 1.870 1.00 45.60 ? 8 THR A CB 1 ATOM 43 O OG1 . THR A 1 10 ? -24.941 -3.364 2.737 1.00 49.16 ? 8 THR A OG1 1 ATOM 44 C CG2 . THR A 1 10 ? -24.175 -1.161 2.088 1.00 38.74 ? 8 THR A CG2 1 ATOM 45 N N . LYS A 1 11 ? -27.737 -3.623 1.123 1.00 51.48 ? 9 LYS A N 1 ATOM 46 C CA . LYS A 1 11 ? -28.565 -4.818 1.072 1.00 52.07 ? 9 LYS A CA 1 ATOM 47 C C . LYS A 1 11 ? -28.090 -5.860 2.084 1.00 50.53 ? 9 LYS A C 1 ATOM 48 O O . LYS A 1 11 ? -28.895 -6.607 2.633 1.00 52.94 ? 9 LYS A O 1 ATOM 49 C CB . LYS A 1 11 ? -28.573 -5.405 -0.343 1.00 51.11 ? 9 LYS A CB 1 ATOM 50 C CG . LYS A 1 11 ? -29.238 -4.510 -1.371 1.00 56.10 ? 9 LYS A CG 1 ATOM 51 C CD . LYS A 1 11 ? -30.689 -4.227 -1.000 1.00 69.29 ? 9 LYS A CD 1 ATOM 52 C CE . LYS A 1 11 ? -31.217 -2.981 -1.721 1.00 78.28 ? 9 LYS A CE 1 ATOM 53 N NZ . LYS A 1 11 ? -31.157 -3.103 -3.207 1.00 78.14 ? 9 LYS A NZ 1 ATOM 54 N N . ASN A 1 12 ? -26.785 -5.874 2.349 1.00 48.50 ? 10 ASN A N 1 ATOM 55 C CA . ASN A 1 12 ? -26.177 -6.849 3.250 1.00 49.24 ? 10 ASN A CA 1 ATOM 56 C C . ASN A 1 12 ? -26.096 -6.437 4.726 1.00 51.67 ? 10 ASN A C 1 ATOM 57 O O . ASN A 1 12 ? -25.804 -7.268 5.592 1.00 44.34 ? 10 ASN A O 1 ATOM 58 C CB . ASN A 1 12 ? -24.792 -7.226 2.732 1.00 45.84 ? 10 ASN A CB 1 ATOM 59 C CG . ASN A 1 12 ? -24.828 -7.694 1.299 1.00 49.32 ? 10 ASN A CG 1 ATOM 60 O OD1 . ASN A 1 12 ? -24.200 -7.100 0.421 1.00 55.82 ? 10 ASN A OD1 1 ATOM 61 N ND2 . ASN A 1 12 ? -25.586 -8.754 1.047 1.00 47.10 ? 10 ASN A ND2 1 ATOM 62 N N . GLY A 1 13 ? -26.362 -5.161 5.002 1.00 51.77 ? 11 GLY A N 1 ATOM 63 C CA . GLY A 1 13 ? -26.276 -4.609 6.347 1.00 40.35 ? 11 GLY A CA 1 ATOM 64 C C . GLY A 1 13 ? -25.726 -3.185 6.322 1.00 50.92 ? 11 GLY A C 1 ATOM 65 O O . GLY A 1 13 ? -25.340 -2.664 5.265 1.00 47.56 ? 11 GLY A O 1 ATOM 66 N N . LYS A 1 14 ? -25.700 -2.542 7.484 1.00 47.95 ? 12 LYS A N 1 ATOM 67 C CA . LYS A 1 14 ? -25.137 -1.201 7.605 1.00 47.54 ? 12 LYS A CA 1 ATOM 68 C C . LYS A 1 14 ? -23.609 -1.251 7.607 1.00 50.59 ? 12 LYS A C 1 ATOM 69 O O . LYS A 1 14 ? -23.008 -2.178 8.154 1.00 49.84 ? 12 LYS A O 1 ATOM 70 C CB . LYS A 1 14 ? -25.648 -0.516 8.879 1.00 47.73 ? 12 LYS A CB 1 ATOM 71 C CG . LYS A 1 14 ? -27.117 -0.117 8.827 1.00 48.24 ? 12 LYS A CG 1 ATOM 72 C CD . LYS A 1 14 ? -27.621 0.283 10.202 1.00 50.67 ? 12 LYS A CD 1 ATOM 73 C CE . LYS A 1 14 ? -29.103 0.620 10.165 1.00 62.28 ? 12 LYS A CE 1 ATOM 74 N NZ . LYS A 1 14 ? -29.734 0.557 11.525 1.00 70.73 ? 12 LYS A NZ 1 ATOM 75 N N . VAL A 1 15 ? -22.984 -0.251 6.997 1.00 45.99 ? 13 VAL A N 1 ATOM 76 C CA . VAL A 1 15 ? -21.529 -0.177 6.955 1.00 50.89 ? 13 VAL A CA 1 ATOM 77 C C . VAL A 1 15 ? -21.023 1.217 7.371 1.00 53.48 ? 13 VAL A C 1 ATOM 78 O O . VAL A 1 15 ? -21.556 2.255 6.957 1.00 48.92 ? 13 VAL A O 1 ATOM 79 C CB . VAL A 1 15 ? -20.972 -0.589 5.555 1.00 48.19 ? 13 VAL A CB 1 ATOM 80 C CG1 . VAL A 1 15 ? -21.459 0.361 4.479 1.00 45.41 ? 13 VAL A CG1 1 ATOM 81 C CG2 . VAL A 1 15 ? -19.454 -0.640 5.568 1.00 49.99 ? 13 VAL A CG2 1 ATOM 82 N N . ARG A 1 16 ? -19.992 1.226 8.204 1.00 51.20 ? 14 ARG A N 1 ATOM 83 C CA . ARG A 1 16 ? -19.405 2.468 8.691 1.00 48.87 ? 14 ARG A CA 1 ATOM 84 C C . ARG A 1 16 ? -18.120 2.753 7.916 1.00 45.86 ? 14 ARG A C 1 ATOM 85 O O . ARG A 1 16 ? -17.338 1.836 7.647 1.00 45.61 ? 14 ARG A O 1 ATOM 86 C CB . ARG A 1 16 ? -19.157 2.379 10.215 1.00 43.16 ? 14 ARG A CB 1 ATOM 87 C CG . ARG A 1 16 ? -18.326 3.503 10.811 1.00 44.32 ? 14 ARG A CG 1 ATOM 88 C CD . ARG A 1 16 ? -18.277 3.423 12.352 1.00 50.40 ? 14 ARG A CD 1 ATOM 89 N NE . ARG A 1 16 ? -19.563 3.775 12.953 1.00 58.51 ? 14 ARG A NE 1 ATOM 90 C CZ . ARG A 1 16 ? -20.260 2.986 13.769 1.00 60.50 ? 14 ARG A CZ 1 ATOM 91 N NH1 . ARG A 1 16 ? -19.796 1.792 14.121 1.00 53.14 ? 14 ARG A NH1 1 ATOM 92 N NH2 . ARG A 1 16 ? -21.423 3.405 14.248 1.00 68.11 ? 14 ARG A NH2 1 ATOM 93 N N . GLY A 1 17 ? -17.918 4.012 7.526 1.00 43.61 ? 15 GLY A N 1 ATOM 94 C CA . GLY A 1 17 ? -16.710 4.403 6.810 1.00 39.80 ? 15 GLY A CA 1 ATOM 95 C C . GLY A 1 17 ? -15.866 5.428 7.551 1.00 45.39 ? 15 GLY A C 1 ATOM 96 O O . GLY A 1 17 ? -16.062 5.675 8.735 1.00 51.98 ? 15 GLY A O 1 ATOM 97 N N . MET A 1 18 ? -14.919 6.033 6.851 1.00 47.60 ? 16 MET A N 1 ATOM 98 C CA . MET A 1 18 ? -14.037 7.016 7.465 1.00 44.55 ? 16 MET A CA 1 ATOM 99 C C . MET A 1 18 ? -13.810 8.175 6.509 1.00 43.87 ? 16 MET A C 1 ATOM 100 O O . MET A 1 18 ? -13.834 7.995 5.280 1.00 38.26 ? 16 MET A O 1 ATOM 101 C CB . MET A 1 18 ? -12.690 6.377 7.811 1.00 40.85 ? 16 MET A CB 1 ATOM 102 C CG . MET A 1 18 ? -11.997 5.784 6.589 1.00 51.84 ? 16 MET A CG 1 ATOM 103 S SD . MET A 1 18 ? -10.555 4.775 6.988 1.00 79.76 ? 16 MET A SD 1 ATOM 104 C CE . MET A 1 18 ? -9.589 5.969 7.921 1.00 68.32 ? 16 MET A CE 1 ATOM 105 N N . ASN A 1 19 ? -13.586 9.359 7.076 1.00 43.61 ? 17 ASN A N 1 ATOM 106 C CA . ASN A 1 19 ? -13.211 10.542 6.300 1.00 45.68 ? 17 ASN A CA 1 ATOM 107 C C . ASN A 1 19 ? -11.702 10.616 6.037 1.00 54.11 ? 17 ASN A C 1 ATOM 108 O O . ASN A 1 19 ? -10.892 10.338 6.923 1.00 60.02 ? 17 ASN A O 1 ATOM 109 C CB . ASN A 1 19 ? -13.668 11.828 7.002 1.00 43.96 ? 17 ASN A CB 1 ATOM 110 C CG . ASN A 1 19 ? -15.166 12.045 6.919 1.00 50.75 ? 17 ASN A CG 1 ATOM 111 O OD1 . ASN A 1 19 ? -15.833 11.521 6.019 1.00 53.04 ? 17 ASN A OD1 1 ATOM 112 N ND2 . ASN A 1 19 ? -15.700 12.828 7.861 1.00 59.90 ? 17 ASN A ND2 1 ATOM 113 N N . LEU A 1 20 ? -11.335 10.985 4.813 1.00 48.62 ? 18 LEU A N 1 ATOM 114 C CA . LEU A 1 20 ? -9.949 11.282 4.469 1.00 44.81 ? 18 LEU A CA 1 ATOM 115 C C . LEU A 1 20 ? -9.821 12.761 4.068 1.00 51.26 ? 18 LEU A C 1 ATOM 116 O O . LEU A 1 20 ? -10.701 13.321 3.408 1.00 51.77 ? 18 LEU A O 1 ATOM 117 C CB . LEU A 1 20 ? -9.485 10.397 3.306 1.00 43.99 ? 18 LEU A CB 1 ATOM 118 C CG . LEU A 1 20 ? -9.869 8.916 3.317 1.00 43.82 ? 18 LEU A CG 1 ATOM 119 C CD1 . LEU A 1 20 ? -9.594 8.286 1.971 1.00 37.61 ? 18 LEU A CD1 1 ATOM 120 C CD2 . LEU A 1 20 ? -9.128 8.168 4.415 1.00 43.35 ? 18 LEU A CD2 1 ATOM 121 N N . THR A 1 21 ? -8.727 13.400 4.458 1.00 55.69 ? 19 THR A N 1 ATOM 122 C CA . THR A 1 21 ? -8.499 14.771 4.027 1.00 55.95 ? 19 THR A CA 1 ATOM 123 C C . THR A 1 21 ? -7.631 14.800 2.786 1.00 58.42 ? 19 THR A C 1 ATOM 124 O O . THR A 1 21 ? -6.455 14.463 2.836 1.00 64.44 ? 19 THR A O 1 ATOM 125 C CB . THR A 1 21 ? -7.872 15.625 5.127 1.00 56.76 ? 19 THR A CB 1 ATOM 126 O OG1 . THR A 1 21 ? -8.814 15.757 6.193 1.00 66.91 ? 19 THR A OG1 1 ATOM 127 C CG2 . THR A 1 21 ? -7.543 17.008 4.602 1.00 48.29 ? 19 THR A CG2 1 ATOM 128 N N . VAL A 1 22 ? -8.236 15.205 1.673 1.00 53.69 ? 20 VAL A N 1 ATOM 129 C CA . VAL A 1 22 ? -7.576 15.230 0.376 1.00 41.10 ? 20 VAL A CA 1 ATOM 130 C C . VAL A 1 22 ? -7.670 16.622 -0.266 1.00 42.45 ? 20 VAL A C 1 ATOM 131 O O . VAL A 1 22 ? -8.763 17.112 -0.549 1.00 43.08 ? 20 VAL A O 1 ATOM 132 C CB . VAL A 1 22 ? -8.230 14.196 -0.574 1.00 43.41 ? 20 VAL A CB 1 ATOM 133 C CG1 . VAL A 1 22 ? -7.407 14.042 -1.851 1.00 43.79 ? 20 VAL A CG1 1 ATOM 134 C CG2 . VAL A 1 22 ? -8.418 12.847 0.135 1.00 40.26 ? 20 VAL A CG2 1 ATOM 135 N N . PHE A 1 23 ? -6.525 17.256 -0.499 1.00 52.99 ? 21 PHE A N 1 ATOM 136 C CA . PHE A 1 23 ? -6.478 18.540 -1.211 1.00 59.96 ? 21 PHE A CA 1 ATOM 137 C C . PHE A 1 23 ? -7.412 19.599 -0.610 1.00 60.86 ? 21 PHE A C 1 ATOM 138 O O . PHE A 1 23 ? -8.043 20.369 -1.333 1.00 54.87 ? 21 PHE A O 1 ATOM 139 C CB . PHE A 1 23 ? -6.800 18.351 -2.707 1.00 58.89 ? 21 PHE A CB 1 ATOM 140 C CG . PHE A 1 23 ? -5.904 17.361 -3.412 1.00 54.24 ? 21 PHE A CG 1 ATOM 141 C CD1 . PHE A 1 23 ? -4.609 17.125 -2.970 1.00 58.07 ? 21 PHE A CD1 1 ATOM 142 C CD2 . PHE A 1 23 ? -6.360 16.668 -4.517 1.00 46.58 ? 21 PHE A CD2 1 ATOM 143 C CE1 . PHE A 1 23 ? -3.792 16.205 -3.615 1.00 50.44 ? 21 PHE A CE1 1 ATOM 144 C CE2 . PHE A 1 23 ? -5.550 15.756 -5.159 1.00 47.17 ? 21 PHE A CE2 1 ATOM 145 C CZ . PHE A 1 23 ? -4.265 15.525 -4.707 1.00 47.38 ? 21 PHE A CZ 1 ATOM 146 N N . GLY A 1 24 ? -7.512 19.629 0.714 1.00 68.38 ? 22 GLY A N 1 ATOM 147 C CA . GLY A 1 24 ? -8.363 20.604 1.375 1.00 62.89 ? 22 GLY A CA 1 ATOM 148 C C . GLY A 1 24 ? -9.825 20.220 1.319 1.00 58.89 ? 22 GLY A C 1 ATOM 149 O O . GLY A 1 24 ? -10.703 20.997 1.679 1.00 64.80 ? 22 GLY A O 1 ATOM 150 N N . GLY A 1 25 ? -10.093 19.003 0.872 1.00 55.05 ? 23 GLY A N 1 ATOM 151 C CA . GLY A 1 25 ? -11.450 18.501 0.827 1.00 52.34 ? 23 GLY A CA 1 ATOM 152 C C . GLY A 1 25 ? -11.574 17.203 1.595 1.00 52.65 ? 23 GLY A C 1 ATOM 153 O O . GLY A 1 25 ? -10.660 16.793 2.310 1.00 53.42 ? 23 GLY A O 1 ATOM 154 N N . THR A 1 26 ? -12.713 16.546 1.437 1.00 52.32 ? 24 THR A N 1 ATOM 155 C CA . THR A 1 26 ? -12.973 15.310 2.147 1.00 49.61 ? 24 THR A CA 1 ATOM 156 C C . THR A 1 26 ? -13.422 14.225 1.183 1.00 49.88 ? 24 THR A C 1 ATOM 157 O O . THR A 1 26 ? -14.201 14.479 0.267 1.00 53.02 ? 24 THR A O 1 ATOM 158 C CB . THR A 1 26 ? -14.046 15.521 3.220 1.00 56.32 ? 24 THR A CB 1 ATOM 159 O OG1 . THR A 1 26 ? -13.516 16.355 4.258 1.00 69.28 ? 24 THR A OG1 1 ATOM 160 C CG2 . THR A 1 26 ? -14.480 14.202 3.822 1.00 55.34 ? 24 THR A CG2 1 ATOM 161 N N . VAL A 1 27 ? -12.895 13.023 1.376 1.00 45.51 ? 25 VAL A N 1 ATOM 162 C CA . VAL A 1 27 ? -13.389 11.844 0.681 1.00 41.86 ? 25 VAL A CA 1 ATOM 163 C C . VAL A 1 27 ? -13.814 10.829 1.739 1.00 44.83 ? 25 VAL A C 1 ATOM 164 O O . VAL A 1 27 ? -13.148 10.661 2.762 1.00 47.95 ? 25 VAL A O 1 ATOM 165 C CB . VAL A 1 27 ? -12.307 11.228 -0.234 1.00 41.63 ? 25 VAL A CB 1 ATOM 166 C CG1 . VAL A 1 27 ? -12.782 9.902 -0.849 1.00 38.88 ? 25 VAL A CG1 1 ATOM 167 C CG2 . VAL A 1 27 ? -11.901 12.214 -1.316 1.00 39.29 ? 25 VAL A CG2 1 ATOM 168 N N . THR A 1 28 ? -14.940 10.176 1.510 1.00 40.53 ? 26 THR A N 1 ATOM 169 C CA . THR A 1 28 ? -15.387 9.126 2.404 1.00 41.88 ? 26 THR A CA 1 ATOM 170 C C . THR A 1 28 ? -14.996 7.754 1.859 1.00 34.51 ? 26 THR A C 1 ATOM 171 O O . THR A 1 28 ? -15.401 7.365 0.774 1.00 29.20 ? 26 THR A O 1 ATOM 172 C CB . THR A 1 28 ? -16.901 9.180 2.606 1.00 45.60 ? 26 THR A CB 1 ATOM 173 O OG1 . THR A 1 28 ? -17.296 10.528 2.876 1.00 46.34 ? 26 THR A OG1 1 ATOM 174 C CG2 . THR A 1 28 ? -17.292 8.310 3.766 1.00 44.05 ? 26 THR A CG2 1 ATOM 175 N N . ALA A 1 29 ? -14.187 7.035 2.621 1.00 37.90 ? 27 ALA A N 1 ATOM 176 C CA . ALA A 1 29 ? -13.654 5.762 2.168 1.00 39.32 ? 27 ALA A CA 1 ATOM 177 C C . ALA A 1 29 ? -14.271 4.599 2.944 1.00 40.60 ? 27 ALA A C 1 ATOM 178 O O . ALA A 1 29 ? -14.344 4.633 4.167 1.00 43.15 ? 27 ALA A O 1 ATOM 179 C CB . ALA A 1 29 ? -12.138 5.756 2.308 1.00 39.68 ? 27 ALA A CB 1 ATOM 180 N N . PHE A 1 30 ? -14.735 3.584 2.228 1.00 39.81 ? 28 PHE A N 1 ATOM 181 C CA . PHE A 1 30 ? -15.172 2.350 2.870 1.00 39.11 ? 28 PHE A CA 1 ATOM 182 C C . PHE A 1 30 ? -14.265 1.251 2.333 1.00 43.89 ? 28 PHE A C 1 ATOM 183 O O . PHE A 1 30 ? -14.409 0.818 1.177 1.00 40.87 ? 28 PHE A O 1 ATOM 184 C CB . PHE A 1 30 ? -16.644 2.034 2.566 1.00 34.21 ? 28 PHE A CB 1 ATOM 185 C CG . PHE A 1 30 ? -17.610 3.122 2.973 1.00 44.46 ? 28 PHE A CG 1 ATOM 186 C CD1 . PHE A 1 30 ? -17.769 4.260 2.195 1.00 46.97 ? 28 PHE A CD1 1 ATOM 187 C CD2 . PHE A 1 30 ? -18.374 2.997 4.115 1.00 48.74 ? 28 PHE A CD2 1 ATOM 188 C CE1 . PHE A 1 30 ? -18.655 5.255 2.559 1.00 44.64 ? 28 PHE A CE1 1 ATOM 189 C CE2 . PHE A 1 30 ? -19.267 3.996 4.480 1.00 47.68 ? 28 PHE A CE2 1 ATOM 190 C CZ . PHE A 1 30 ? -19.406 5.122 3.699 1.00 43.45 ? 28 PHE A CZ 1 ATOM 191 N N . LEU A 1 31 ? -13.314 0.834 3.163 1.00 38.62 ? 29 LEU A N 1 ATOM 192 C CA . LEU A 1 31 ? -12.332 -0.170 2.775 1.00 38.91 ? 29 LEU A CA 1 ATOM 193 C C . LEU A 1 31 ? -12.705 -1.535 3.353 1.00 46.25 ? 29 LEU A C 1 ATOM 194 O O . LEU A 1 31 ? -13.035 -1.652 4.536 1.00 43.24 ? 29 LEU A O 1 ATOM 195 C CB . LEU A 1 31 ? -10.949 0.226 3.289 1.00 35.88 ? 29 LEU A CB 1 ATOM 196 C CG . LEU A 1 31 ? -10.629 1.701 3.105 1.00 46.11 ? 29 LEU A CG 1 ATOM 197 C CD1 . LEU A 1 31 ? -9.262 2.021 3.677 1.00 48.17 ? 29 LEU A CD1 1 ATOM 198 C CD2 . LEU A 1 31 ? -10.718 2.071 1.618 1.00 39.74 ? 29 LEU A CD2 1 ATOM 199 N N . GLY A 1 32 ? -12.654 -2.564 2.517 1.00 42.64 ? 30 GLY A N 1 ATOM 200 C CA . GLY A 1 32 ? -12.816 -3.922 2.991 1.00 41.96 ? 30 GLY A CA 1 ATOM 201 C C . GLY A 1 32 ? -14.233 -4.315 3.337 1.00 44.17 ? 30 GLY A C 1 ATOM 202 O O . GLY A 1 32 ? -14.482 -4.884 4.401 1.00 48.40 ? 30 GLY A O 1 ATOM 203 N N . ILE A 1 33 ? -15.160 -3.994 2.437 1.00 50.57 ? 31 ILE A N 1 ATOM 204 C CA . ILE A 1 33 ? -16.538 -4.466 2.518 1.00 38.55 ? 31 ILE A CA 1 ATOM 205 C C . ILE A 1 33 ? -16.601 -5.855 1.903 1.00 41.22 ? 31 ILE A C 1 ATOM 206 O O . ILE A 1 33 ? -16.157 -6.054 0.774 1.00 43.19 ? 31 ILE A O 1 ATOM 207 C CB . ILE A 1 33 ? -17.469 -3.550 1.709 1.00 35.79 ? 31 ILE A CB 1 ATOM 208 C CG1 . ILE A 1 33 ? -17.228 -2.083 2.089 1.00 42.42 ? 31 ILE A CG1 1 ATOM 209 C CG2 . ILE A 1 33 ? -18.944 -3.970 1.859 1.00 28.74 ? 31 ILE A CG2 1 ATOM 210 C CD1 . ILE A 1 33 ? -18.308 -1.131 1.634 1.00 31.12 ? 31 ILE A CD1 1 ATOM 211 N N . PRO A 1 34 ? -17.149 -6.827 2.640 1.00 43.54 ? 32 PRO A N 1 ATOM 212 C CA . PRO A 1 34 ? -17.330 -8.164 2.064 1.00 40.27 ? 32 PRO A CA 1 ATOM 213 C C . PRO A 1 34 ? -18.407 -8.137 0.999 1.00 43.69 ? 32 PRO A C 1 ATOM 214 O O . PRO A 1 34 ? -19.438 -7.500 1.209 1.00 45.67 ? 32 PRO A O 1 ATOM 215 C CB . PRO A 1 34 ? -17.801 -9.004 3.260 1.00 38.30 ? 32 PRO A CB 1 ATOM 216 C CG . PRO A 1 34 ? -18.423 -8.016 4.189 1.00 48.79 ? 32 PRO A CG 1 ATOM 217 C CD . PRO A 1 34 ? -17.662 -6.730 4.018 1.00 46.92 ? 32 PRO A CD 1 ATOM 218 N N . TYR A 1 35 ? -18.188 -8.821 -0.120 1.00 41.73 ? 33 TYR A N 1 ATOM 219 C CA . TYR A 1 35 ? -19.206 -8.862 -1.164 1.00 39.85 ? 33 TYR A CA 1 ATOM 220 C C . TYR A 1 35 ? -19.621 -10.292 -1.501 1.00 37.68 ? 33 TYR A C 1 ATOM 221 O O . TYR A 1 35 ? -20.492 -10.517 -2.334 1.00 48.72 ? 33 TYR A O 1 ATOM 222 C CB . TYR A 1 35 ? -18.744 -8.095 -2.409 1.00 35.87 ? 33 TYR A CB 1 ATOM 223 C CG . TYR A 1 35 ? -17.588 -8.722 -3.152 1.00 28.90 ? 33 TYR A CG 1 ATOM 224 C CD1 . TYR A 1 35 ? -17.809 -9.702 -4.109 1.00 33.75 ? 33 TYR A CD1 1 ATOM 225 C CD2 . TYR A 1 35 ? -16.281 -8.331 -2.907 1.00 28.22 ? 33 TYR A CD2 1 ATOM 226 C CE1 . TYR A 1 35 ? -16.761 -10.285 -4.806 1.00 33.56 ? 33 TYR A CE1 1 ATOM 227 C CE2 . TYR A 1 35 ? -15.219 -8.906 -3.602 1.00 26.95 ? 33 TYR A CE2 1 ATOM 228 C CZ . TYR A 1 35 ? -15.470 -9.888 -4.552 1.00 28.92 ? 33 TYR A CZ 1 ATOM 229 O OH . TYR A 1 35 ? -14.442 -10.475 -5.258 1.00 30.91 ? 33 TYR A OH 1 ATOM 230 N N . ALA A 1 36 ? -18.997 -11.251 -0.835 1.00 40.08 ? 34 ALA A N 1 ATOM 231 C CA . ALA A 1 36 ? -19.298 -12.674 -1.026 1.00 42.41 ? 34 ALA A CA 1 ATOM 232 C C . ALA A 1 36 ? -18.999 -13.450 0.248 1.00 44.31 ? 34 ALA A C 1 ATOM 233 O O . ALA A 1 36 ? -18.294 -12.958 1.140 1.00 36.06 ? 34 ALA A O 1 ATOM 234 C CB . ALA A 1 36 ? -18.473 -13.252 -2.173 1.00 34.85 ? 34 ALA A CB 1 ATOM 235 N N . GLN A 1 37 ? -19.517 -14.671 0.325 1.00 47.11 ? 35 GLN A N 1 ATOM 236 C CA . GLN A 1 37 ? -19.153 -15.559 1.415 1.00 45.64 ? 35 GLN A CA 1 ATOM 237 C C . GLN A 1 37 ? -17.700 -15.976 1.224 1.00 44.70 ? 35 GLN A C 1 ATOM 238 O O . GLN A 1 37 ? -17.259 -16.219 0.092 1.00 41.62 ? 35 GLN A O 1 ATOM 239 C CB . GLN A 1 37 ? -20.068 -16.781 1.456 1.00 43.87 ? 35 GLN A CB 1 ATOM 240 C CG . GLN A 1 37 ? -21.495 -16.468 1.829 1.00 52.22 ? 35 GLN A CG 1 ATOM 241 C CD . GLN A 1 37 ? -22.407 -17.668 1.682 1.00 61.46 ? 35 GLN A CD 1 ATOM 242 O OE1 . GLN A 1 37 ? -22.171 -18.718 2.278 1.00 57.95 ? 35 GLN A OE1 1 ATOM 243 N NE2 . GLN A 1 37 ? -23.454 -17.521 0.877 1.00 72.76 ? 35 GLN A NE2 1 ATOM 244 N N . PRO A 1 38 ? -16.948 -16.042 2.332 1.00 45.47 ? 36 PRO A N 1 ATOM 245 C CA . PRO A 1 38 ? -15.541 -16.448 2.308 1.00 48.01 ? 36 PRO A CA 1 ATOM 246 C C . PRO A 1 38 ? -15.407 -17.832 1.683 1.00 49.79 ? 36 PRO A C 1 ATOM 247 O O . PRO A 1 38 ? -16.043 -18.782 2.151 1.00 52.22 ? 36 PRO A O 1 ATOM 248 C CB . PRO A 1 38 ? -15.159 -16.496 3.801 1.00 47.16 ? 36 PRO A CB 1 ATOM 249 C CG . PRO A 1 38 ? -16.164 -15.645 4.498 1.00 39.38 ? 36 PRO A CG 1 ATOM 250 C CD . PRO A 1 38 ? -17.431 -15.781 3.704 1.00 43.67 ? 36 PRO A CD 1 ATOM 251 N N . PRO A 1 39 ? -14.593 -17.948 0.627 1.00 46.44 ? 37 PRO A N 1 ATOM 252 C CA . PRO A 1 39 ? -14.483 -19.198 -0.133 1.00 49.67 ? 37 PRO A CA 1 ATOM 253 C C . PRO A 1 39 ? -13.572 -20.211 0.559 1.00 52.59 ? 37 PRO A C 1 ATOM 254 O O . PRO A 1 39 ? -12.511 -20.551 0.035 1.00 54.02 ? 37 PRO A O 1 ATOM 255 C CB . PRO A 1 39 ? -13.884 -18.739 -1.463 1.00 45.82 ? 37 PRO A CB 1 ATOM 256 C CG . PRO A 1 39 ? -13.048 -17.569 -1.088 1.00 46.03 ? 37 PRO A CG 1 ATOM 257 C CD . PRO A 1 39 ? -13.758 -16.877 0.059 1.00 42.73 ? 37 PRO A CD 1 ATOM 258 N N . LEU A 1 40 ? -14.017 -20.685 1.722 1.00 52.82 ? 38 LEU A N 1 ATOM 259 C CA . LEU A 1 40 ? -13.256 -21.577 2.600 1.00 57.06 ? 38 LEU A CA 1 ATOM 260 C C . LEU A 1 40 ? -13.847 -22.986 2.630 1.00 61.03 ? 38 LEU A C 1 ATOM 261 O O . LEU A 1 40 ? -15.038 -23.176 2.365 1.00 59.40 ? 38 LEU A O 1 ATOM 262 C CB . LEU A 1 40 ? -13.257 -21.018 4.027 1.00 53.54 ? 38 LEU A CB 1 ATOM 263 C CG . LEU A 1 40 ? -12.825 -19.556 4.152 1.00 65.84 ? 38 LEU A CG 1 ATOM 264 C CD1 . LEU A 1 40 ? -13.108 -19.011 5.539 1.00 71.94 ? 38 LEU A CD1 1 ATOM 265 C CD2 . LEU A 1 40 ? -11.358 -19.426 3.836 1.00 64.40 ? 38 LEU A CD2 1 ATOM 266 N N . GLY A 1 41 ? -13.011 -23.967 2.967 1.00 57.76 ? 39 GLY A N 1 ATOM 267 C CA . GLY A 1 41 ? -13.460 -25.342 3.120 1.00 49.23 ? 39 GLY A CA 1 ATOM 268 C C . GLY A 1 41 ? -14.080 -25.905 1.858 1.00 52.76 ? 39 GLY A C 1 ATOM 269 O O . GLY A 1 41 ? -13.411 -26.044 0.835 1.00 59.93 ? 39 GLY A O 1 ATOM 270 N N . ARG A 1 42 ? -15.371 -26.211 1.927 1.00 55.56 ? 40 ARG A N 1 ATOM 271 C CA . ARG A 1 42 ? -16.106 -26.734 0.776 1.00 64.12 ? 40 ARG A CA 1 ATOM 272 C C . ARG A 1 42 ? -16.320 -25.698 -0.328 1.00 53.09 ? 40 ARG A C 1 ATOM 273 O O . ARG A 1 42 ? -16.617 -26.056 -1.469 1.00 46.49 ? 40 ARG A O 1 ATOM 274 C CB . ARG A 1 42 ? -17.459 -27.285 1.222 1.00 74.79 ? 40 ARG A CB 1 ATOM 275 C CG . ARG A 1 42 ? -18.357 -26.235 1.856 1.00 80.48 ? 40 ARG A CG 1 ATOM 276 C CD . ARG A 1 42 ? -19.607 -26.849 2.466 1.00 85.48 ? 40 ARG A CD 1 ATOM 277 N NE . ARG A 1 42 ? -20.569 -25.821 2.847 1.00 83.63 ? 40 ARG A NE 1 ATOM 278 C CZ . ARG A 1 42 ? -21.406 -25.237 1.995 1.00 82.44 ? 40 ARG A CZ 1 ATOM 279 N NH1 . ARG A 1 42 ? -21.396 -25.580 0.708 1.00 78.74 ? 40 ARG A NH1 1 ATOM 280 N NH2 . ARG A 1 42 ? -22.249 -24.307 2.428 1.00 81.81 ? 40 ARG A NH2 1 ATOM 281 N N . LEU A 1 43 ? -16.188 -24.418 0.011 1.00 55.54 ? 41 LEU A N 1 ATOM 282 C CA . LEU A 1 43 ? -16.378 -23.353 -0.980 1.00 54.29 ? 41 LEU A CA 1 ATOM 283 C C . LEU A 1 43 ? -15.088 -23.036 -1.745 1.00 51.00 ? 41 LEU A C 1 ATOM 284 O O . LEU A 1 43 ? -15.106 -22.285 -2.717 1.00 51.40 ? 41 LEU A O 1 ATOM 285 C CB . LEU A 1 43 ? -16.979 -22.091 -0.346 1.00 45.03 ? 41 LEU A CB 1 ATOM 286 C CG . LEU A 1 43 ? -18.326 -22.282 0.369 1.00 53.93 ? 41 LEU A CG 1 ATOM 287 C CD1 . LEU A 1 43 ? -18.801 -20.972 0.993 1.00 51.12 ? 41 LEU A CD1 1 ATOM 288 C CD2 . LEU A 1 43 ? -19.393 -22.863 -0.565 1.00 48.01 ? 41 LEU A CD2 1 ATOM 289 N N . ARG A 1 44 ? -13.978 -23.635 -1.320 1.00 51.41 ? 42 ARG A N 1 ATOM 290 C CA . ARG A 1 44 ? -12.714 -23.466 -2.028 1.00 46.33 ? 42 ARG A CA 1 ATOM 291 C C . ARG A 1 44 ? -12.838 -24.068 -3.430 1.00 42.26 ? 42 ARG A C 1 ATOM 292 O O . ARG A 1 44 ? -13.332 -25.192 -3.578 1.00 51.44 ? 42 ARG A O 1 ATOM 293 C CB . ARG A 1 44 ? -11.546 -24.095 -1.237 1.00 41.75 ? 42 ARG A CB 1 ATOM 294 C CG . ARG A 1 44 ? -10.155 -23.819 -1.834 1.00 39.79 ? 42 ARG A CG 1 ATOM 295 C CD . ARG A 1 44 ? -9.089 -24.805 -1.347 1.00 36.37 ? 42 ARG A CD 1 ATOM 296 N NE . ARG A 1 44 ? -8.491 -24.396 -0.084 1.00 37.21 ? 42 ARG A NE 1 ATOM 297 C CZ . ARG A 1 44 ? -7.510 -25.044 0.530 1.00 45.00 ? 42 ARG A CZ 1 ATOM 298 N NH1 . ARG A 1 44 ? -6.995 -26.151 0.007 1.00 54.78 ? 42 ARG A NH1 1 ATOM 299 N NH2 . ARG A 1 44 ? -7.039 -24.581 1.672 1.00 39.75 ? 42 ARG A NH2 1 ATOM 300 N N . PHE A 1 45 ? -12.411 -23.296 -4.435 1.00 37.25 ? 43 PHE A N 1 ATOM 301 C CA . PHE A 1 45 ? -12.487 -23.619 -5.879 1.00 35.67 ? 43 PHE A CA 1 ATOM 302 C C . PHE A 1 45 ? -13.865 -23.460 -6.507 1.00 37.56 ? 43 PHE A C 1 ATOM 303 O O . PHE A 1 45 ? -13.984 -23.489 -7.726 1.00 38.37 ? 43 PHE A O 1 ATOM 304 C CB . PHE A 1 45 ? -11.954 -25.021 -6.241 1.00 38.30 ? 43 PHE A CB 1 ATOM 305 C CG . PHE A 1 45 ? -10.564 -25.311 -5.742 1.00 42.78 ? 43 PHE A CG 1 ATOM 306 C CD1 . PHE A 1 45 ? -9.480 -24.552 -6.162 1.00 40.39 ? 43 PHE A CD1 1 ATOM 307 C CD2 . PHE A 1 45 ? -10.339 -26.378 -4.877 1.00 42.89 ? 43 PHE A CD2 1 ATOM 308 C CE1 . PHE A 1 45 ? -8.202 -24.837 -5.704 1.00 42.34 ? 43 PHE A CE1 1 ATOM 309 C CE2 . PHE A 1 45 ? -9.067 -26.673 -4.426 1.00 36.23 ? 43 PHE A CE2 1 ATOM 310 C CZ . PHE A 1 45 ? -7.998 -25.907 -4.828 1.00 39.84 ? 43 PHE A CZ 1 ATOM 311 N N . LYS A 1 46 ? -14.912 -23.322 -5.701 1.00 42.34 ? 44 LYS A N 1 ATOM 312 C CA . LYS A 1 46 ? -16.234 -23.050 -6.275 1.00 47.25 ? 44 LYS A CA 1 ATOM 313 C C . LYS A 1 46 ? -16.394 -21.583 -6.743 1.00 43.40 ? 44 LYS A C 1 ATOM 314 O O . LYS A 1 46 ? -15.578 -20.708 -6.414 1.00 34.63 ? 44 LYS A O 1 ATOM 315 C CB . LYS A 1 46 ? -17.344 -23.411 -5.280 1.00 47.44 ? 44 LYS A CB 1 ATOM 316 C CG . LYS A 1 46 ? -17.316 -24.853 -4.798 1.00 52.72 ? 44 LYS A CG 1 ATOM 317 C CD . LYS A 1 46 ? -18.653 -25.296 -4.224 1.00 52.41 ? 44 LYS A CD 1 ATOM 318 C CE . LYS A 1 46 ? -19.667 -25.488 -5.341 1.00 62.61 ? 44 LYS A CE 1 ATOM 319 N NZ . LYS A 1 46 ? -20.957 -26.064 -4.865 1.00 69.80 ? 44 LYS A NZ 1 ATOM 320 N N . LYS A 1 47 ? -17.453 -21.311 -7.499 1.00 37.23 ? 45 LYS A N 1 ATOM 321 C CA . LYS A 1 47 ? -17.834 -19.924 -7.772 1.00 36.19 ? 45 LYS A CA 1 ATOM 322 C C . LYS A 1 47 ? -18.135 -19.207 -6.443 1.00 44.70 ? 45 LYS A C 1 ATOM 323 O O . LYS A 1 47 ? -18.475 -19.857 -5.444 1.00 51.81 ? 45 LYS A O 1 ATOM 324 C CB . LYS A 1 47 ? -19.050 -19.887 -8.698 1.00 31.26 ? 45 LYS A CB 1 ATOM 325 C CG . LYS A 1 47 ? -18.835 -20.670 -9.984 1.00 38.56 ? 45 LYS A CG 1 ATOM 326 C CD . LYS A 1 47 ? -19.459 -19.984 -11.172 1.00 46.45 ? 45 LYS A CD 1 ATOM 327 C CE . LYS A 1 47 ? -20.960 -19.909 -11.062 1.00 50.87 ? 45 LYS A CE 1 ATOM 328 N NZ . LYS A 1 47 ? -21.529 -19.147 -12.209 1.00 52.92 ? 45 LYS A NZ 1 ATOM 329 N N . PRO A 1 48 ? -17.998 -17.872 -6.409 1.00 39.63 ? 46 PRO A N 1 ATOM 330 C CA . PRO A 1 48 ? -18.349 -17.183 -5.157 1.00 33.42 ? 46 PRO A CA 1 ATOM 331 C C . PRO A 1 48 ? -19.841 -17.316 -4.846 1.00 45.03 ? 46 PRO A C 1 ATOM 332 O O . PRO A 1 48 ? -20.662 -17.318 -5.767 1.00 48.81 ? 46 PRO A O 1 ATOM 333 C CB . PRO A 1 48 ? -18.011 -15.725 -5.449 1.00 34.61 ? 46 PRO A CB 1 ATOM 334 C CG . PRO A 1 48 ? -18.065 -15.599 -6.961 1.00 30.51 ? 46 PRO A CG 1 ATOM 335 C CD . PRO A 1 48 ? -17.602 -16.936 -7.481 1.00 34.04 ? 46 PRO A CD 1 ATOM 336 N N . GLN A 1 49 ? -20.182 -17.443 -3.568 1.00 38.65 ? 47 GLN A N 1 ATOM 337 C CA . GLN A 1 49 ? -21.570 -17.506 -3.165 1.00 43.50 ? 47 GLN A CA 1 ATOM 338 C C . GLN A 1 49 ? -21.983 -16.159 -2.602 1.00 48.68 ? 47 GLN A C 1 ATOM 339 O O . GLN A 1 49 ? -21.223 -15.514 -1.875 1.00 44.57 ? 47 GLN A O 1 ATOM 340 C CB . GLN A 1 49 ? -21.802 -18.610 -2.121 1.00 53.79 ? 47 GLN A CB 1 ATOM 341 C CG . GLN A 1 49 ? -21.370 -20.005 -2.558 1.00 59.53 ? 47 GLN A CG 1 ATOM 342 C CD . GLN A 1 49 ? -21.985 -20.418 -3.881 1.00 73.11 ? 47 GLN A CD 1 ATOM 343 O OE1 . GLN A 1 49 ? -23.179 -20.224 -4.106 1.00 80.02 ? 47 GLN A OE1 1 ATOM 344 N NE2 . GLN A 1 49 ? -21.167 -20.981 -4.771 1.00 73.85 ? 47 GLN A NE2 1 ATOM 345 N N . SER A 1 50 ? -23.196 -15.746 -2.944 1.00 49.10 ? 48 SER A N 1 ATOM 346 C CA . SER A 1 50 ? -23.748 -14.488 -2.464 1.00 46.94 ? 48 SER A CA 1 ATOM 347 C C . SER A 1 50 ? -23.733 -14.328 -0.946 1.00 48.67 ? 48 SER A C 1 ATOM 348 O O . SER A 1 50 ? -23.998 -15.267 -0.187 1.00 43.22 ? 48 SER A O 1 ATOM 349 C CB . SER A 1 50 ? -25.168 -14.294 -2.987 1.00 50.17 ? 48 SER A CB 1 ATOM 350 O OG . SER A 1 50 ? -25.150 -13.781 -4.306 1.00 56.70 ? 48 SER A OG 1 ATOM 351 N N . LEU A 1 51 ? -23.419 -13.109 -0.526 1.00 52.95 ? 49 LEU A N 1 ATOM 352 C CA . LEU A 1 51 ? -23.399 -12.729 0.879 1.00 56.61 ? 49 LEU A CA 1 ATOM 353 C C . LEU A 1 51 ? -24.823 -12.489 1.366 1.00 56.62 ? 49 LEU A C 1 ATOM 354 O O . LEU A 1 51 ? -25.560 -11.710 0.769 1.00 60.01 ? 49 LEU A O 1 ATOM 355 C CB . LEU A 1 51 ? -22.569 -11.450 1.036 1.00 59.98 ? 49 LEU A CB 1 ATOM 356 C CG . LEU A 1 51 ? -22.186 -10.957 2.430 1.00 66.80 ? 49 LEU A CG 1 ATOM 357 C CD1 . LEU A 1 51 ? -21.361 -11.994 3.193 1.00 65.48 ? 49 LEU A CD1 1 ATOM 358 C CD2 . LEU A 1 51 ? -21.422 -9.662 2.284 1.00 70.10 ? 49 LEU A CD2 1 ATOM 359 N N . THR A 1 52 ? -25.225 -13.162 2.439 1.00 55.20 ? 50 THR A N 1 ATOM 360 C CA . THR A 1 52 ? -26.558 -12.942 2.981 1.00 53.79 ? 50 THR A CA 1 ATOM 361 C C . THR A 1 52 ? -26.589 -11.610 3.736 1.00 63.81 ? 50 THR A C 1 ATOM 362 O O . THR A 1 52 ? -26.972 -10.575 3.187 1.00 67.16 ? 50 THR A O 1 ATOM 363 C CB . THR A 1 52 ? -27.021 -14.105 3.899 1.00 64.30 ? 50 THR A CB 1 ATOM 364 O OG1 . THR A 1 52 ? -26.113 -14.246 4.998 1.00 63.19 ? 50 THR A OG1 1 ATOM 365 C CG2 . THR A 1 52 ? -27.100 -15.435 3.122 1.00 59.52 ? 50 THR A CG2 1 ATOM 366 N N . LYS A 1 53 ? -26.161 -11.644 4.991 1.00 64.49 ? 51 LYS A N 1 ATOM 367 C CA . LYS A 1 53 ? -26.145 -10.469 5.840 1.00 55.50 ? 51 LYS A CA 1 ATOM 368 C C . LYS A 1 53 ? -24.974 -10.610 6.788 1.00 59.63 ? 51 LYS A C 1 ATOM 369 O O . LYS A 1 53 ? -24.620 -11.719 7.174 1.00 65.06 ? 51 LYS A O 1 ATOM 370 C CB . LYS A 1 53 ? -27.438 -10.393 6.658 1.00 57.14 ? 51 LYS A CB 1 ATOM 371 C CG . LYS A 1 53 ? -28.262 -9.124 6.477 1.00 58.04 ? 51 LYS A CG 1 ATOM 372 C CD . LYS A 1 53 ? -28.862 -9.029 5.086 1.00 60.17 ? 51 LYS A CD 1 ATOM 373 C CE . LYS A 1 53 ? -30.159 -8.226 5.089 1.00 64.34 ? 51 LYS A CE 1 ATOM 374 N NZ . LYS A 1 53 ? -29.992 -6.874 5.674 1.00 70.16 ? 51 LYS A NZ 1 ATOM 375 N N . TRP A 1 54 ? -24.361 -9.491 7.156 1.00 65.53 ? 52 TRP A N 1 ATOM 376 C CA . TRP A 1 54 ? -23.421 -9.495 8.270 1.00 64.54 ? 52 TRP A CA 1 ATOM 377 C C . TRP A 1 54 ? -24.126 -8.969 9.519 1.00 70.55 ? 52 TRP A C 1 ATOM 378 O O . TRP A 1 54 ? -25.169 -8.316 9.425 1.00 70.34 ? 52 TRP A O 1 ATOM 379 C CB . TRP A 1 54 ? -22.166 -8.672 7.956 1.00 57.19 ? 52 TRP A CB 1 ATOM 380 C CG . TRP A 1 54 ? -22.438 -7.235 7.634 1.00 50.59 ? 52 TRP A CG 1 ATOM 381 C CD1 . TRP A 1 54 ? -22.886 -6.267 8.491 1.00 44.57 ? 52 TRP A CD1 1 ATOM 382 C CD2 . TRP A 1 54 ? -22.269 -6.598 6.364 1.00 43.95 ? 52 TRP A CD2 1 ATOM 383 N NE1 . TRP A 1 54 ? -23.018 -5.073 7.826 1.00 43.35 ? 52 TRP A NE1 1 ATOM 384 C CE2 . TRP A 1 54 ? -22.638 -5.245 6.523 1.00 39.94 ? 52 TRP A CE2 1 ATOM 385 C CE3 . TRP A 1 54 ? -21.840 -7.039 5.109 1.00 49.28 ? 52 TRP A CE3 1 ATOM 386 C CZ2 . TRP A 1 54 ? -22.593 -4.328 5.471 1.00 50.93 ? 52 TRP A CZ2 1 ATOM 387 C CZ3 . TRP A 1 54 ? -21.793 -6.125 4.061 1.00 53.99 ? 52 TRP A CZ3 1 ATOM 388 C CH2 . TRP A 1 54 ? -22.169 -4.786 4.249 1.00 53.21 ? 52 TRP A CH2 1 ATOM 389 N N . SER A 1 55 ? -23.556 -9.262 10.684 1.00 73.89 ? 53 SER A N 1 ATOM 390 C CA . SER A 1 55 ? -24.141 -8.852 11.955 1.00 75.78 ? 53 SER A CA 1 ATOM 391 C C . SER A 1 55 ? -23.658 -7.460 12.355 1.00 74.96 ? 53 SER A C 1 ATOM 392 O O . SER A 1 55 ? -22.497 -7.099 12.107 1.00 71.64 ? 53 SER A O 1 ATOM 393 C CB . SER A 1 55 ? -23.775 -9.850 13.060 1.00 82.99 ? 53 SER A CB 1 ATOM 394 O OG . SER A 1 55 ? -23.972 -11.191 12.647 1.00 86.89 ? 53 SER A OG 1 ATOM 395 N N . ASP A 1 56 ? -24.551 -6.693 12.980 1.00 70.48 ? 54 ASP A N 1 ATOM 396 C CA . ASP A 1 56 ? -24.226 -5.356 13.467 1.00 75.12 ? 54 ASP A CA 1 ATOM 397 C C . ASP A 1 56 ? -23.777 -4.410 12.351 1.00 73.06 ? 54 ASP A C 1 ATOM 398 O O . ASP A 1 56 ? -24.194 -4.530 11.191 1.00 75.94 ? 54 ASP A O 1 ATOM 399 C CB . ASP A 1 56 ? -23.151 -5.417 14.563 1.00 83.39 ? 54 ASP A CB 1 ATOM 400 C CG . ASP A 1 56 ? -23.729 -5.697 15.943 1.00 98.12 ? 54 ASP A CG 1 ATOM 401 O OD1 . ASP A 1 56 ? -24.771 -6.383 16.041 1.00 100.60 ? 54 ASP A OD1 1 ATOM 402 O OD2 . ASP A 1 56 ? -23.137 -5.223 16.937 1.00 103.94 ? 54 ASP A OD2 1 ATOM 403 N N . ILE A 1 57 ? -22.928 -3.461 12.714 1.00 64.73 ? 55 ILE A N 1 ATOM 404 C CA . ILE A 1 57 ? -22.398 -2.529 11.743 1.00 56.92 ? 55 ILE A CA 1 ATOM 405 C C . ILE A 1 57 ? -20.991 -2.958 11.364 1.00 58.14 ? 55 ILE A C 1 ATOM 406 O O . ILE A 1 57 ? -20.131 -3.083 12.228 1.00 60.78 ? 55 ILE A O 1 ATOM 407 C CB . ILE A 1 57 ? -22.383 -1.093 12.288 1.00 48.76 ? 55 ILE A CB 1 ATOM 408 C CG1 . ILE A 1 57 ? -23.762 -0.729 12.846 1.00 46.82 ? 55 ILE A CG1 1 ATOM 409 C CG2 . ILE A 1 57 ? -21.961 -0.122 11.198 1.00 40.12 ? 55 ILE A CG2 1 ATOM 410 C CD1 . ILE A 1 57 ? -23.885 0.712 13.285 1.00 58.78 ? 55 ILE A CD1 1 ATOM 411 N N . TRP A 1 58 ? -20.774 -3.209 10.076 1.00 55.51 ? 56 TRP A N 1 ATOM 412 C CA . TRP A 1 58 ? -19.445 -3.506 9.564 1.00 56.95 ? 56 TRP A CA 1 ATOM 413 C C . TRP A 1 58 ? -18.586 -2.238 9.453 1.00 60.14 ? 56 TRP A C 1 ATOM 414 O O . TRP A 1 58 ? -18.969 -1.252 8.809 1.00 56.31 ? 56 TRP A O 1 ATOM 415 C CB . TRP A 1 58 ? -19.533 -4.174 8.195 1.00 60.15 ? 56 TRP A CB 1 ATOM 416 C CG . TRP A 1 58 ? -18.225 -4.729 7.743 1.00 52.51 ? 56 TRP A CG 1 ATOM 417 C CD1 . TRP A 1 58 ? -17.205 -4.047 7.147 1.00 48.35 ? 56 TRP A CD1 1 ATOM 418 C CD2 . TRP A 1 58 ? -17.782 -6.083 7.879 1.00 46.70 ? 56 TRP A CD2 1 ATOM 419 N NE1 . TRP A 1 58 ? -16.153 -4.902 6.885 1.00 45.41 ? 56 TRP A NE1 1 ATOM 420 C CE2 . TRP A 1 58 ? -16.483 -6.156 7.327 1.00 41.68 ? 56 TRP A CE2 1 ATOM 421 C CE3 . TRP A 1 58 ? -18.360 -7.244 8.409 1.00 46.57 ? 56 TRP A CE3 1 ATOM 422 C CZ2 . TRP A 1 58 ? -15.752 -7.345 7.286 1.00 43.07 ? 56 TRP A CZ2 1 ATOM 423 C CZ3 . TRP A 1 58 ? -17.634 -8.425 8.364 1.00 46.72 ? 56 TRP A CZ3 1 ATOM 424 C CH2 . TRP A 1 58 ? -16.340 -8.466 7.807 1.00 42.60 ? 56 TRP A CH2 1 ATOM 425 N N . ASN A 1 59 ? -17.415 -2.286 10.078 1.00 56.41 ? 57 ASN A N 1 ATOM 426 C CA . ASN A 1 59 ? -16.498 -1.158 10.097 1.00 48.64 ? 57 ASN A CA 1 ATOM 427 C C . ASN A 1 59 ? -15.505 -1.239 8.948 1.00 46.93 ? 57 ASN A C 1 ATOM 428 O O . ASN A 1 59 ? -14.478 -1.914 9.033 1.00 46.80 ? 57 ASN A O 1 ATOM 429 C CB . ASN A 1 59 ? -15.771 -1.083 11.449 1.00 55.92 ? 57 ASN A CB 1 ATOM 430 C CG . ASN A 1 59 ? -16.735 -0.950 12.628 1.00 65.75 ? 57 ASN A CG 1 ATOM 431 O OD1 . ASN A 1 59 ? -17.583 -0.057 12.645 1.00 51.51 ? 57 ASN A OD1 1 ATOM 432 N ND2 . ASN A 1 59 ? -16.613 -1.855 13.609 1.00 91.27 ? 57 ASN A ND2 1 ATOM 433 N N . ALA A 1 60 ? -15.826 -0.556 7.858 1.00 41.67 ? 58 ALA A N 1 ATOM 434 C CA . ALA A 1 60 ? -14.950 -0.530 6.712 1.00 38.85 ? 58 ALA A CA 1 ATOM 435 C C . ALA A 1 60 ? -13.919 0.588 6.882 1.00 48.84 ? 58 ALA A C 1 ATOM 436 O O . ALA A 1 60 ? -14.005 1.627 6.232 1.00 49.57 ? 58 ALA A O 1 ATOM 437 C CB . ALA A 1 60 ? -15.758 -0.333 5.462 1.00 42.90 ? 58 ALA A CB 1 ATOM 438 N N . THR A 1 61 ? -12.950 0.382 7.771 1.00 41.30 ? 59 THR A N 1 ATOM 439 C CA . THR A 1 61 ? -11.966 1.420 8.048 1.00 44.17 ? 59 THR A CA 1 ATOM 440 C C . THR A 1 61 ? -10.523 0.938 7.917 1.00 47.86 ? 59 THR A C 1 ATOM 441 O O . THR A 1 61 ? -9.590 1.614 8.336 1.00 46.92 ? 59 THR A O 1 ATOM 442 C CB . THR A 1 61 ? -12.161 2.021 9.446 1.00 52.41 ? 59 THR A CB 1 ATOM 443 O OG1 . THR A 1 61 ? -12.036 0.984 10.428 1.00 58.26 ? 59 THR A OG1 1 ATOM 444 C CG2 . THR A 1 61 ? -13.540 2.706 9.560 1.00 40.96 ? 59 THR A CG2 1 ATOM 445 N N . LYS A 1 62 ? -10.339 -0.236 7.336 1.00 51.18 ? 60 LYS A N 1 ATOM 446 C CA . LYS A 1 62 ? -9.005 -0.706 7.022 1.00 50.50 ? 60 LYS A CA 1 ATOM 447 C C . LYS A 1 62 ? -9.139 -1.655 5.860 1.00 46.04 ? 60 LYS A C 1 ATOM 448 O O . LYS A 1 62 ? -10.175 -2.292 5.700 1.00 50.38 ? 60 LYS A O 1 ATOM 449 C CB . LYS A 1 62 ? -8.361 -1.399 8.222 1.00 52.82 ? 60 LYS A CB 1 ATOM 450 C CG . LYS A 1 62 ? -9.001 -2.705 8.618 1.00 58.15 ? 60 LYS A CG 1 ATOM 451 C CD . LYS A 1 62 ? -8.393 -3.249 9.909 1.00 66.60 ? 60 LYS A CD 1 ATOM 452 C CE . LYS A 1 62 ? -9.002 -4.602 10.253 1.00 74.79 ? 60 LYS A CE 1 ATOM 453 N NZ . LYS A 1 62 ? -8.401 -5.215 11.463 1.00 81.82 ? 60 LYS A NZ 1 ATOM 454 N N . TYR A 1 63 ? -8.106 -1.731 5.035 1.00 40.14 ? 61 TYR A N 1 ATOM 455 C CA . TYR A 1 63 ? -8.118 -2.659 3.908 1.00 43.70 ? 61 TYR A CA 1 ATOM 456 C C . TYR A 1 63 ? -8.200 -4.091 4.428 1.00 44.76 ? 61 TYR A C 1 ATOM 457 O O . TYR A 1 63 ? -7.697 -4.386 5.510 1.00 47.98 ? 61 TYR A O 1 ATOM 458 C CB . TYR A 1 63 ? -6.860 -2.511 3.056 1.00 41.41 ? 61 TYR A CB 1 ATOM 459 C CG . TYR A 1 63 ? -6.733 -1.249 2.219 1.00 42.21 ? 61 TYR A CG 1 ATOM 460 C CD1 . TYR A 1 63 ? -7.525 -1.052 1.089 1.00 43.90 ? 61 TYR A CD1 1 ATOM 461 C CD2 . TYR A 1 63 ? -5.774 -0.285 2.523 1.00 40.51 ? 61 TYR A CD2 1 ATOM 462 C CE1 . TYR A 1 63 ? -7.380 0.076 0.300 1.00 37.26 ? 61 TYR A CE1 1 ATOM 463 C CE2 . TYR A 1 63 ? -5.623 0.849 1.739 1.00 45.44 ? 61 TYR A CE2 1 ATOM 464 C CZ . TYR A 1 63 ? -6.426 1.020 0.627 1.00 46.13 ? 61 TYR A CZ 1 ATOM 465 O OH . TYR A 1 63 ? -6.278 2.143 -0.150 1.00 45.57 ? 61 TYR A OH 1 ATOM 466 N N . ALA A 1 64 ? -8.834 -4.969 3.653 1.00 50.07 ? 62 ALA A N 1 ATOM 467 C CA . ALA A 1 64 ? -9.025 -6.370 4.035 1.00 50.96 ? 62 ALA A CA 1 ATOM 468 C C . ALA A 1 64 ? -7.836 -7.240 3.647 1.00 48.38 ? 62 ALA A C 1 ATOM 469 O O . ALA A 1 64 ? -6.869 -6.752 3.055 1.00 41.69 ? 62 ALA A O 1 ATOM 470 C CB . ALA A 1 64 ? -10.291 -6.917 3.402 1.00 49.46 ? 62 ALA A CB 1 ATOM 471 N N . ASN A 1 65 ? -7.911 -8.525 3.995 1.00 42.84 ? 63 ASN A N 1 ATOM 472 C CA . ASN A 1 65 ? -6.906 -9.489 3.577 1.00 42.22 ? 63 ASN A CA 1 ATOM 473 C C . ASN A 1 65 ? -6.776 -9.517 2.066 1.00 46.13 ? 63 ASN A C 1 ATOM 474 O O . ASN A 1 65 ? -7.773 -9.428 1.352 1.00 44.94 ? 63 ASN A O 1 ATOM 475 C CB . ASN A 1 65 ? -7.262 -10.896 4.055 1.00 47.89 ? 63 ASN A CB 1 ATOM 476 C CG . ASN A 1 65 ? -7.358 -10.999 5.568 1.00 54.53 ? 63 ASN A CG 1 ATOM 477 O OD1 . ASN A 1 65 ? -6.459 -10.575 6.296 1.00 47.54 ? 63 ASN A OD1 1 ATOM 478 N ND2 . ASN A 1 65 ? -8.459 -11.572 6.046 1.00 52.05 ? 63 ASN A ND2 1 ATOM 479 N N . SER A 1 66 ? -5.544 -9.634 1.579 1.00 44.28 ? 64 SER A N 1 ATOM 480 C CA . SER A 1 66 ? -5.318 -9.897 0.159 1.00 47.86 ? 64 SER A CA 1 ATOM 481 C C . SER A 1 66 ? -5.446 -11.408 -0.058 1.00 43.02 ? 64 SER A C 1 ATOM 482 O O . SER A 1 66 ? -5.282 -12.183 0.885 1.00 33.92 ? 64 SER A O 1 ATOM 483 C CB . SER A 1 66 ? -3.927 -9.416 -0.273 1.00 42.73 ? 64 SER A CB 1 ATOM 484 O OG . SER A 1 66 ? -3.700 -8.077 0.136 1.00 48.53 ? 64 SER A OG 1 ATOM 485 N N . CYS A 1 67 ? -5.731 -11.820 -1.287 1.00 35.80 ? 65 CYS A N 1 ATOM 486 C CA . CYS A 1 67 ? -5.892 -13.232 -1.594 1.00 36.57 ? 65 CYS A CA 1 ATOM 487 C C . CYS A 1 67 ? -4.551 -13.950 -1.587 1.00 43.51 ? 65 CYS A C 1 ATOM 488 O O . CYS A 1 67 ? -3.509 -13.344 -1.859 1.00 42.77 ? 65 CYS A O 1 ATOM 489 C CB . CYS A 1 67 ? -6.619 -13.422 -2.929 1.00 35.36 ? 65 CYS A CB 1 ATOM 490 S SG . CYS A 1 67 ? -8.348 -12.816 -2.892 1.00 52.24 ? 65 CYS A SG 1 ATOM 491 N N . CYS A 1 68 ? -4.590 -15.236 -1.239 1.00 45.78 ? 66 CYS A N 1 ATOM 492 C CA . CYS A 1 68 ? -3.401 -16.070 -1.168 1.00 40.16 ? 66 CYS A CA 1 ATOM 493 C C . CYS A 1 68 ? -2.649 -16.028 -2.500 1.00 47.02 ? 66 CYS A C 1 ATOM 494 O O . CYS A 1 68 ? -3.251 -16.172 -3.569 1.00 42.61 ? 66 CYS A O 1 ATOM 495 C CB . CYS A 1 68 ? -3.779 -17.516 -0.806 1.00 39.59 ? 66 CYS A CB 1 ATOM 496 S SG . CYS A 1 68 ? -4.364 -17.776 0.900 1.00 61.82 ? 66 CYS A SG 1 ATOM 497 N N . GLN A 1 69 ? -1.333 -15.825 -2.422 1.00 45.03 ? 67 GLN A N 1 ATOM 498 C CA . GLN A 1 69 ? -0.482 -15.709 -3.603 1.00 39.04 ? 67 GLN A CA 1 ATOM 499 C C . GLN A 1 69 ? 0.977 -15.852 -3.203 1.00 41.03 ? 67 GLN A C 1 ATOM 500 O O . GLN A 1 69 ? 1.335 -15.649 -2.047 1.00 41.30 ? 67 GLN A O 1 ATOM 501 C CB . GLN A 1 69 ? -0.692 -14.354 -4.294 1.00 36.32 ? 67 GLN A CB 1 ATOM 502 C CG . GLN A 1 69 ? -0.498 -13.125 -3.376 1.00 31.39 ? 67 GLN A CG 1 ATOM 503 C CD . GLN A 1 69 ? -0.948 -11.815 -4.026 1.00 40.10 ? 67 GLN A CD 1 ATOM 504 O OE1 . GLN A 1 69 ? -0.196 -11.180 -4.770 1.00 44.42 ? 67 GLN A OE1 1 ATOM 505 N NE2 . GLN A 1 69 ? -2.182 -11.410 -3.745 1.00 32.28 ? 67 GLN A NE2 1 ATOM 506 N N . ASN A 1 70 ? 1.826 -16.205 -4.157 1.00 43.55 ? 68 ASN A N 1 ATOM 507 C CA . ASN A 1 70 ? 3.256 -16.137 -3.917 1.00 44.99 ? 68 ASN A CA 1 ATOM 508 C C . ASN A 1 70 ? 3.725 -14.681 -3.985 1.00 47.54 ? 68 ASN A C 1 ATOM 509 O O . ASN A 1 70 ? 3.072 -13.824 -4.582 1.00 54.49 ? 68 ASN A O 1 ATOM 510 C CB . ASN A 1 70 ? 4.025 -17.032 -4.894 1.00 49.83 ? 68 ASN A CB 1 ATOM 511 C CG . ASN A 1 70 ? 3.713 -18.520 -4.706 1.00 47.51 ? 68 ASN A CG 1 ATOM 512 O OD1 . ASN A 1 70 ? 3.993 -19.105 -3.655 1.00 52.46 ? 68 ASN A OD1 1 ATOM 513 N ND2 . ASN A 1 70 ? 3.141 -19.135 -5.733 1.00 41.58 ? 68 ASN A ND2 1 ATOM 514 N N . ILE A 1 71 ? 4.853 -14.406 -3.355 1.00 53.04 ? 69 ILE A N 1 ATOM 515 C CA . ILE A 1 71 ? 5.358 -13.050 -3.221 1.00 55.24 ? 69 ILE A CA 1 ATOM 516 C C . ILE A 1 71 ? 6.636 -12.896 -4.024 1.00 52.01 ? 69 ILE A C 1 ATOM 517 O O . ILE A 1 71 ? 7.462 -13.806 -4.058 1.00 60.03 ? 69 ILE A O 1 ATOM 518 C CB . ILE A 1 71 ? 5.683 -12.756 -1.749 1.00 62.88 ? 69 ILE A CB 1 ATOM 519 C CG1 . ILE A 1 71 ? 4.472 -13.064 -0.880 1.00 64.43 ? 69 ILE A CG1 1 ATOM 520 C CG2 . ILE A 1 71 ? 6.108 -11.322 -1.557 1.00 66.98 ? 69 ILE A CG2 1 ATOM 521 C CD1 . ILE A 1 71 ? 3.257 -12.332 -1.300 1.00 61.20 ? 69 ILE A CD1 1 ATOM 522 N N . ASP A 1 72 ? 6.806 -11.748 -4.671 1.00 51.03 ? 70 ASP A N 1 ATOM 523 C CA . ASP A 1 72 ? 8.069 -11.452 -5.347 1.00 50.06 ? 70 ASP A CA 1 ATOM 524 C C . ASP A 1 72 ? 9.120 -11.108 -4.286 1.00 43.74 ? 70 ASP A C 1 ATOM 525 O O . ASP A 1 72 ? 8.948 -10.192 -3.492 1.00 47.30 ? 70 ASP A O 1 ATOM 526 C CB . ASP A 1 72 ? 7.898 -10.320 -6.369 1.00 44.75 ? 70 ASP A CB 1 ATOM 527 C CG . ASP A 1 72 ? 9.168 -10.033 -7.164 1.00 60.67 ? 70 ASP A CG 1 ATOM 528 O OD1 . ASP A 1 72 ? 10.246 -10.592 -6.849 1.00 72.66 ? 70 ASP A OD1 1 ATOM 529 O OD2 . ASP A 1 72 ? 9.086 -9.226 -8.112 1.00 56.55 ? 70 ASP A OD2 1 ATOM 530 N N . GLN A 1 73 ? 10.199 -11.871 -4.273 1.00 41.89 ? 71 GLN A N 1 ATOM 531 C CA . GLN A 1 73 ? 11.235 -11.702 -3.276 1.00 46.28 ? 71 GLN A CA 1 ATOM 532 C C . GLN A 1 73 ? 12.587 -11.652 -3.937 1.00 41.72 ? 71 GLN A C 1 ATOM 533 O O . GLN A 1 73 ? 13.598 -11.838 -3.281 1.00 52.56 ? 71 GLN A O 1 ATOM 534 C CB . GLN A 1 73 ? 11.211 -12.862 -2.279 1.00 60.83 ? 71 GLN A CB 1 ATOM 535 C CG . GLN A 1 73 ? 9.919 -12.991 -1.493 1.00 67.22 ? 71 GLN A CG 1 ATOM 536 C CD . GLN A 1 73 ? 9.904 -14.217 -0.599 1.00 76.57 ? 71 GLN A CD 1 ATOM 537 O OE1 . GLN A 1 73 ? 10.017 -15.353 -1.071 1.00 81.33 ? 71 GLN A OE1 1 ATOM 538 N NE2 . GLN A 1 73 ? 9.767 -13.994 0.702 1.00 75.01 ? 71 GLN A NE2 1 ATOM 539 N N . SER A 1 74 ? 12.610 -11.406 -5.241 1.00 47.56 ? 72 SER A N 1 ATOM 540 C CA . SER A 1 74 ? 13.873 -11.362 -5.970 1.00 50.76 ? 72 SER A CA 1 ATOM 541 C C . SER A 1 74 ? 14.727 -10.175 -5.530 1.00 54.71 ? 72 SER A C 1 ATOM 542 O O . SER A 1 74 ? 15.947 -10.213 -5.668 1.00 60.22 ? 72 SER A O 1 ATOM 543 C CB . SER A 1 74 ? 13.637 -11.304 -7.477 1.00 48.56 ? 72 SER A CB 1 ATOM 544 O OG . SER A 1 74 ? 12.526 -12.098 -7.851 1.00 59.73 ? 72 SER A OG 1 ATOM 545 N N . PHE A 1 75 ? 14.091 -9.131 -4.998 1.00 52.04 ? 73 PHE A N 1 ATOM 546 C CA . PHE A 1 75 ? 14.815 -7.923 -4.599 1.00 55.16 ? 73 PHE A CA 1 ATOM 547 C C . PHE A 1 75 ? 14.383 -7.368 -3.239 1.00 56.78 ? 73 PHE A C 1 ATOM 548 O O . PHE A 1 75 ? 13.574 -6.442 -3.160 1.00 59.00 ? 73 PHE A O 1 ATOM 549 C CB . PHE A 1 75 ? 14.644 -6.831 -5.654 1.00 55.64 ? 73 PHE A CB 1 ATOM 550 C CG . PHE A 1 75 ? 14.952 -7.276 -7.056 1.00 46.86 ? 73 PHE A CG 1 ATOM 551 C CD1 . PHE A 1 75 ? 16.259 -7.537 -7.443 1.00 45.90 ? 73 PHE A CD1 1 ATOM 552 C CD2 . PHE A 1 75 ? 13.935 -7.403 -7.993 1.00 38.35 ? 73 PHE A CD2 1 ATOM 553 C CE1 . PHE A 1 75 ? 16.541 -7.930 -8.733 1.00 49.83 ? 73 PHE A CE1 1 ATOM 554 C CE2 . PHE A 1 75 ? 14.209 -7.800 -9.285 1.00 35.38 ? 73 PHE A CE2 1 ATOM 555 C CZ . PHE A 1 75 ? 15.513 -8.057 -9.658 1.00 51.62 ? 73 PHE A CZ 1 ATOM 556 N N . PRO A 1 76 ? 14.946 -7.914 -2.162 1.00 57.32 ? 74 PRO A N 1 ATOM 557 C CA . PRO A 1 76 ? 14.583 -7.504 -0.802 1.00 59.71 ? 74 PRO A CA 1 ATOM 558 C C . PRO A 1 76 ? 14.881 -6.029 -0.528 1.00 58.70 ? 74 PRO A C 1 ATOM 559 O O . PRO A 1 76 ? 16.020 -5.581 -0.663 1.00 46.85 ? 74 PRO A O 1 ATOM 560 C CB . PRO A 1 76 ? 15.474 -8.389 0.080 1.00 53.93 ? 74 PRO A CB 1 ATOM 561 C CG . PRO A 1 76 ? 15.858 -9.535 -0.796 1.00 57.37 ? 74 PRO A CG 1 ATOM 562 C CD . PRO A 1 76 ? 15.963 -8.977 -2.169 1.00 58.05 ? 74 PRO A CD 1 ATOM 563 N N . GLY A 1 77 ? 13.850 -5.285 -0.140 1.00 61.29 ? 75 GLY A N 1 ATOM 564 C CA . GLY A 1 77 ? 14.017 -3.891 0.227 1.00 63.33 ? 75 GLY A CA 1 ATOM 565 C C . GLY A 1 77 ? 13.914 -2.920 -0.932 1.00 66.38 ? 75 GLY A C 1 ATOM 566 O O . GLY A 1 77 ? 13.905 -1.705 -0.728 1.00 68.57 ? 75 GLY A O 1 ATOM 567 N N . PHE A 1 78 ? 13.830 -3.459 -2.146 1.00 60.98 ? 76 PHE A N 1 ATOM 568 C CA . PHE A 1 78 ? 13.727 -2.649 -3.347 1.00 48.73 ? 76 PHE A CA 1 ATOM 569 C C . PHE A 1 78 ? 12.273 -2.257 -3.606 1.00 46.40 ? 76 PHE A C 1 ATOM 570 O O . PHE A 1 78 ? 11.407 -3.109 -3.790 1.00 48.18 ? 76 PHE A O 1 ATOM 571 C CB . PHE A 1 78 ? 14.324 -3.396 -4.547 1.00 52.25 ? 76 PHE A CB 1 ATOM 572 C CG . PHE A 1 78 ? 14.334 -2.598 -5.818 1.00 54.88 ? 76 PHE A CG 1 ATOM 573 C CD1 . PHE A 1 78 ? 15.070 -1.426 -5.914 1.00 53.10 ? 76 PHE A CD1 1 ATOM 574 C CD2 . PHE A 1 78 ? 13.611 -3.016 -6.920 1.00 57.19 ? 76 PHE A CD2 1 ATOM 575 C CE1 . PHE A 1 78 ? 15.082 -0.685 -7.087 1.00 45.45 ? 76 PHE A CE1 1 ATOM 576 C CE2 . PHE A 1 78 ? 13.629 -2.284 -8.102 1.00 48.88 ? 76 PHE A CE2 1 ATOM 577 C CZ . PHE A 1 78 ? 14.366 -1.122 -8.182 1.00 44.74 ? 76 PHE A CZ 1 ATOM 578 N N . HIS A 1 79 ? 12.021 -0.952 -3.619 1.00 50.23 ? 77 HIS A N 1 ATOM 579 C CA . HIS A 1 79 ? 10.676 -0.416 -3.789 1.00 38.32 ? 77 HIS A CA 1 ATOM 580 C C . HIS A 1 79 ? 10.086 -0.774 -5.138 1.00 38.69 ? 77 HIS A C 1 ATOM 581 O O . HIS A 1 79 ? 8.869 -0.982 -5.264 1.00 39.90 ? 77 HIS A O 1 ATOM 582 C CB . HIS A 1 79 ? 10.686 1.099 -3.633 1.00 38.87 ? 77 HIS A CB 1 ATOM 583 C CG . HIS A 1 79 ? 9.327 1.725 -3.710 1.00 43.28 ? 77 HIS A CG 1 ATOM 584 N ND1 . HIS A 1 79 ? 8.306 1.404 -2.840 1.00 49.30 ? 77 HIS A ND1 1 ATOM 585 C CD2 . HIS A 1 79 ? 8.827 2.666 -4.544 1.00 44.28 ? 77 HIS A CD2 1 ATOM 586 C CE1 . HIS A 1 79 ? 7.233 2.112 -3.141 1.00 50.74 ? 77 HIS A CE1 1 ATOM 587 N NE2 . HIS A 1 79 ? 7.521 2.882 -4.175 1.00 53.16 ? 77 HIS A NE2 1 ATOM 588 N N . GLY A 1 80 ? 10.948 -0.844 -6.147 1.00 38.69 ? 78 GLY A N 1 ATOM 589 C CA . GLY A 1 80 ? 10.494 -1.176 -7.485 1.00 41.47 ? 78 GLY A CA 1 ATOM 590 C C . GLY A 1 80 ? 9.743 -2.497 -7.547 1.00 42.76 ? 78 GLY A C 1 ATOM 591 O O . GLY A 1 80 ? 8.729 -2.598 -8.225 1.00 41.48 ? 78 GLY A O 1 ATOM 592 N N . SER A 1 81 ? 10.237 -3.511 -6.837 1.00 42.85 ? 79 SER A N 1 ATOM 593 C CA . SER A 1 81 ? 9.579 -4.807 -6.838 1.00 37.00 ? 79 SER A CA 1 ATOM 594 C C . SER A 1 81 ? 8.585 -4.924 -5.693 1.00 39.07 ? 79 SER A C 1 ATOM 595 O O . SER A 1 81 ? 7.484 -5.456 -5.873 1.00 39.77 ? 79 SER A O 1 ATOM 596 C CB . SER A 1 81 ? 10.597 -5.960 -6.829 1.00 41.74 ? 79 SER A CB 1 ATOM 597 O OG . SER A 1 81 ? 11.488 -5.871 -5.733 1.00 51.44 ? 79 SER A OG 1 ATOM 598 N N . GLU A 1 82 ? 8.937 -4.389 -4.528 1.00 30.87 ? 80 GLU A N 1 ATOM 599 C CA . GLU A 1 82 ? 8.088 -4.583 -3.345 1.00 31.92 ? 80 GLU A CA 1 ATOM 600 C C . GLU A 1 82 ? 6.775 -3.800 -3.346 1.00 39.48 ? 80 GLU A C 1 ATOM 601 O O . GLU A 1 82 ? 5.886 -4.092 -2.559 1.00 47.09 ? 80 GLU A O 1 ATOM 602 C CB . GLU A 1 82 ? 8.867 -4.320 -2.058 1.00 33.12 ? 80 GLU A CB 1 ATOM 603 C CG . GLU A 1 82 ? 10.005 -5.298 -1.838 1.00 49.85 ? 80 GLU A CG 1 ATOM 604 C CD . GLU A 1 82 ? 10.673 -5.138 -0.488 1.00 60.22 ? 80 GLU A CD 1 ATOM 605 O OE1 . GLU A 1 82 ? 10.531 -4.055 0.122 1.00 67.27 ? 80 GLU A OE1 1 ATOM 606 O OE2 . GLU A 1 82 ? 11.350 -6.096 -0.045 1.00 56.81 ? 80 GLU A OE2 1 ATOM 607 N N . MET A 1 83 ? 6.647 -2.814 -4.229 1.00 42.86 ? 81 MET A N 1 ATOM 608 C CA . MET A 1 83 ? 5.443 -1.994 -4.271 1.00 37.02 ? 81 MET A CA 1 ATOM 609 C C . MET A 1 83 ? 4.311 -2.787 -4.874 1.00 37.94 ? 81 MET A C 1 ATOM 610 O O . MET A 1 83 ? 3.150 -2.407 -4.768 1.00 43.43 ? 81 MET A O 1 ATOM 611 C CB . MET A 1 83 ? 5.671 -0.731 -5.096 1.00 46.09 ? 81 MET A CB 1 ATOM 612 C CG . MET A 1 83 ? 6.001 -0.980 -6.568 1.00 39.66 ? 81 MET A CG 1 ATOM 613 S SD . MET A 1 83 ? 6.418 0.574 -7.404 1.00 45.27 ? 81 MET A SD 1 ATOM 614 C CE . MET A 1 83 ? 4.771 1.151 -7.842 1.00 34.32 ? 81 MET A CE 1 ATOM 615 N N . TRP A 1 84 ? 4.644 -3.897 -5.518 1.00 36.84 ? 82 TRP A N 1 ATOM 616 C CA . TRP A 1 84 ? 3.599 -4.760 -6.056 1.00 36.76 ? 82 TRP A CA 1 ATOM 617 C C . TRP A 1 84 ? 3.252 -5.940 -5.128 1.00 40.64 ? 82 TRP A C 1 ATOM 618 O O . TRP A 1 84 ? 2.234 -6.606 -5.337 1.00 38.48 ? 82 TRP A O 1 ATOM 619 C CB . TRP A 1 84 ? 3.941 -5.225 -7.480 1.00 35.55 ? 82 TRP A CB 1 ATOM 620 C CG . TRP A 1 84 ? 4.391 -4.098 -8.383 1.00 41.87 ? 82 TRP A CG 1 ATOM 621 C CD1 . TRP A 1 84 ? 5.680 -3.780 -8.716 1.00 38.23 ? 82 TRP A CD1 1 ATOM 622 C CD2 . TRP A 1 84 ? 3.553 -3.120 -9.036 1.00 37.04 ? 82 TRP A CD2 1 ATOM 623 N NE1 . TRP A 1 84 ? 5.693 -2.681 -9.540 1.00 43.31 ? 82 TRP A NE1 1 ATOM 624 C CE2 . TRP A 1 84 ? 4.404 -2.258 -9.755 1.00 36.89 ? 82 TRP A CE2 1 ATOM 625 C CE3 . TRP A 1 84 ? 2.169 -2.899 -9.088 1.00 37.26 ? 82 TRP A CE3 1 ATOM 626 C CZ2 . TRP A 1 84 ? 3.918 -1.194 -10.524 1.00 39.43 ? 82 TRP A CZ2 1 ATOM 627 C CZ3 . TRP A 1 84 ? 1.684 -1.844 -9.854 1.00 37.11 ? 82 TRP A CZ3 1 ATOM 628 C CH2 . TRP A 1 84 ? 2.556 -1.005 -10.558 1.00 41.37 ? 82 TRP A CH2 1 ATOM 629 N N . ASN A 1 85 ? 4.081 -6.193 -4.109 1.00 35.34 ? 83 ASN A N 1 ATOM 630 C CA . ASN A 1 85 ? 3.754 -7.224 -3.126 1.00 40.58 ? 83 ASN A CA 1 ATOM 631 C C . ASN A 1 85 ? 2.535 -6.788 -2.323 1.00 40.51 ? 83 ASN A C 1 ATOM 632 O O . ASN A 1 85 ? 2.344 -5.593 -2.080 1.00 44.54 ? 83 ASN A O 1 ATOM 633 C CB . ASN A 1 85 ? 4.928 -7.500 -2.181 1.00 42.10 ? 83 ASN A CB 1 ATOM 634 C CG . ASN A 1 85 ? 6.095 -8.143 -2.876 1.00 37.46 ? 83 ASN A CG 1 ATOM 635 O OD1 . ASN A 1 85 ? 5.931 -8.785 -3.906 1.00 39.78 ? 83 ASN A OD1 1 ATOM 636 N ND2 . ASN A 1 85 ? 7.286 -7.966 -2.322 1.00 33.21 ? 83 ASN A ND2 1 ATOM 637 N N . PRO A 1 86 ? 1.693 -7.748 -1.926 1.00 39.30 ? 84 PRO A N 1 ATOM 638 C CA . PRO A 1 86 ? 0.504 -7.396 -1.136 1.00 41.22 ? 84 PRO A CA 1 ATOM 639 C C . PRO A 1 86 ? 0.908 -6.774 0.188 1.00 47.86 ? 84 PRO A C 1 ATOM 640 O O . PRO A 1 86 ? 1.942 -7.120 0.762 1.00 45.19 ? 84 PRO A O 1 ATOM 641 C CB . PRO A 1 86 ? -0.195 -8.741 -0.914 1.00 40.53 ? 84 PRO A CB 1 ATOM 642 C CG . PRO A 1 86 ? 0.875 -9.765 -1.119 1.00 49.06 ? 84 PRO A CG 1 ATOM 643 C CD . PRO A 1 86 ? 1.775 -9.192 -2.189 1.00 44.02 ? 84 PRO A CD 1 ATOM 644 N N . ASN A 1 87 ? 0.088 -5.847 0.659 1.00 46.06 ? 85 ASN A N 1 ATOM 645 C CA . ASN A 1 87 ? 0.436 -5.029 1.802 1.00 42.96 ? 85 ASN A CA 1 ATOM 646 C C . ASN A 1 87 ? -0.549 -5.256 2.952 1.00 51.19 ? 85 ASN A C 1 ATOM 647 O O . ASN A 1 87 ? -0.647 -4.450 3.869 1.00 51.69 ? 85 ASN A O 1 ATOM 648 C CB . ASN A 1 87 ? 0.437 -3.560 1.384 1.00 38.11 ? 85 ASN A CB 1 ATOM 649 C CG . ASN A 1 87 ? -0.916 -3.112 0.881 1.00 45.34 ? 85 ASN A CG 1 ATOM 650 O OD1 . ASN A 1 87 ? -1.653 -3.888 0.271 1.00 49.47 ? 85 ASN A OD1 1 ATOM 651 N ND2 . ASN A 1 87 ? -1.269 -1.874 1.162 1.00 45.94 ? 85 ASN A ND2 1 ATOM 652 N N . THR A 1 88 ? -1.307 -6.341 2.883 1.00 49.10 ? 86 THR A N 1 ATOM 653 C CA . THR A 1 88 ? -2.110 -6.764 4.018 1.00 44.80 ? 86 THR A CA 1 ATOM 654 C C . THR A 1 88 ? -1.890 -8.252 4.188 1.00 49.01 ? 86 THR A C 1 ATOM 655 O O . THR A 1 88 ? -1.245 -8.884 3.349 1.00 44.11 ? 86 THR A O 1 ATOM 656 C CB . THR A 1 88 ? -3.611 -6.473 3.838 1.00 48.90 ? 86 THR A CB 1 ATOM 657 O OG1 . THR A 1 88 ? -4.107 -7.151 2.674 1.00 48.68 ? 86 THR A OG1 1 ATOM 658 C CG2 . THR A 1 88 ? -3.849 -4.965 3.713 1.00 41.10 ? 86 THR A CG2 1 ATOM 659 N N . ASP A 1 89 ? -2.400 -8.804 5.281 1.00 54.93 ? 87 ASP A N 1 ATOM 660 C CA . ASP A 1 89 ? -2.289 -10.232 5.506 1.00 56.34 ? 87 ASP A CA 1 ATOM 661 C C . ASP A 1 89 ? -2.861 -11.009 4.330 1.00 45.75 ? 87 ASP A C 1 ATOM 662 O O . ASP A 1 89 ? -3.807 -10.570 3.676 1.00 48.83 ? 87 ASP A O 1 ATOM 663 C CB . ASP A 1 89 ? -2.993 -10.634 6.798 1.00 72.35 ? 87 ASP A CB 1 ATOM 664 C CG . ASP A 1 89 ? -2.359 -10.013 8.023 1.00 77.78 ? 87 ASP A CG 1 ATOM 665 O OD1 . ASP A 1 89 ? -1.206 -9.537 7.926 1.00 77.89 ? 87 ASP A OD1 1 ATOM 666 O OD2 . ASP A 1 89 ? -3.017 -10.010 9.083 1.00 80.56 ? 87 ASP A OD2 1 ATOM 667 N N . LEU A 1 90 ? -2.247 -12.149 4.048 1.00 43.08 ? 88 LEU A N 1 ATOM 668 C CA . LEU A 1 90 ? -2.703 -13.032 2.998 1.00 38.80 ? 88 LEU A CA 1 ATOM 669 C C . LEU A 1 90 ? -3.701 -14.024 3.584 1.00 47.38 ? 88 LEU A C 1 ATOM 670 O O . LEU A 1 90 ? -3.511 -14.534 4.693 1.00 47.23 ? 88 LEU A O 1 ATOM 671 C CB . LEU A 1 90 ? -1.517 -13.780 2.407 1.00 44.02 ? 88 LEU A CB 1 ATOM 672 C CG . LEU A 1 90 ? -0.497 -12.991 1.591 1.00 41.07 ? 88 LEU A CG 1 ATOM 673 C CD1 . LEU A 1 90 ? 0.609 -13.921 1.108 1.00 38.71 ? 88 LEU A CD1 1 ATOM 674 C CD2 . LEU A 1 90 ? -1.176 -12.320 0.415 1.00 36.93 ? 88 LEU A CD2 1 ATOM 675 N N . SER A 1 91 ? -4.765 -14.311 2.844 1.00 47.38 ? 89 SER A N 1 ATOM 676 C CA . SER A 1 91 ? -5.779 -15.209 3.371 1.00 47.87 ? 89 SER A CA 1 ATOM 677 C C . SER A 1 91 ? -6.709 -15.698 2.286 1.00 48.15 ? 89 SER A C 1 ATOM 678 O O . SER A 1 91 ? -6.870 -15.057 1.262 1.00 56.48 ? 89 SER A O 1 ATOM 679 C CB . SER A 1 91 ? -6.582 -14.509 4.469 1.00 50.01 ? 89 SER A CB 1 ATOM 680 O OG . SER A 1 91 ? -7.557 -15.371 5.015 1.00 42.04 ? 89 SER A OG 1 ATOM 681 N N . GLU A 1 92 ? -7.313 -16.853 2.512 1.00 49.69 ? 90 GLU A N 1 ATOM 682 C CA . GLU A 1 92 ? -8.309 -17.367 1.595 1.00 40.56 ? 90 GLU A CA 1 ATOM 683 C C . GLU A 1 92 ? -9.579 -16.540 1.761 1.00 42.43 ? 90 GLU A C 1 ATOM 684 O O . GLU A 1 92 ? -10.423 -16.460 0.864 1.00 42.29 ? 90 GLU A O 1 ATOM 685 C CB . GLU A 1 92 ? -8.597 -18.821 1.920 1.00 42.35 ? 90 GLU A CB 1 ATOM 686 C CG . GLU A 1 92 ? -7.642 -19.818 1.316 1.00 45.94 ? 90 GLU A CG 1 ATOM 687 C CD . GLU A 1 92 ? -8.274 -21.206 1.243 1.00 55.12 ? 90 GLU A CD 1 ATOM 688 O OE1 . GLU A 1 92 ? -8.150 -21.982 2.217 1.00 57.99 ? 90 GLU A OE1 1 ATOM 689 O OE2 . GLU A 1 92 ? -8.911 -21.510 0.212 1.00 54.56 ? 90 GLU A OE2 1 ATOM 690 N N . ASP A 1 93 ? -9.703 -15.932 2.935 1.00 41.70 ? 91 ASP A N 1 ATOM 691 C CA . ASP A 1 93 ? -10.828 -15.085 3.257 1.00 36.48 ? 91 ASP A CA 1 ATOM 692 C C . ASP A 1 93 ? -10.451 -13.693 2.780 1.00 42.86 ? 91 ASP A C 1 ATOM 693 O O . ASP A 1 93 ? -9.919 -12.880 3.547 1.00 49.32 ? 91 ASP A O 1 ATOM 694 C CB . ASP A 1 93 ? -11.065 -15.112 4.767 1.00 36.44 ? 91 ASP A CB 1 ATOM 695 C CG . ASP A 1 93 ? -12.199 -14.185 5.213 1.00 49.95 ? 91 ASP A CG 1 ATOM 696 O OD1 . ASP A 1 93 ? -12.876 -13.551 4.364 1.00 45.06 ? 91 ASP A OD1 1 ATOM 697 O OD2 . ASP A 1 93 ? -12.422 -14.108 6.441 1.00 58.93 ? 91 ASP A OD2 1 ATOM 698 N N . CYS A 1 94 ? -10.728 -13.426 1.508 1.00 47.10 ? 92 CYS A N 1 ATOM 699 C CA . CYS A 1 94 ? -10.182 -12.246 0.842 1.00 45.22 ? 92 CYS A CA 1 ATOM 700 C C . CYS A 1 94 ? -11.157 -11.548 -0.100 1.00 39.06 ? 92 CYS A C 1 ATOM 701 O O . CYS A 1 94 ? -10.763 -10.626 -0.797 1.00 37.19 ? 92 CYS A O 1 ATOM 702 C CB . CYS A 1 94 ? -8.932 -12.636 0.052 1.00 41.03 ? 92 CYS A CB 1 ATOM 703 S SG . CYS A 1 94 ? -9.256 -13.777 -1.339 1.00 43.80 ? 92 CYS A SG 1 ATOM 704 N N . LEU A 1 95 ? -12.414 -11.986 -0.130 1.00 40.90 ? 93 LEU A N 1 ATOM 705 C CA . LEU A 1 95 ? -13.398 -11.419 -1.054 1.00 38.44 ? 93 LEU A CA 1 ATOM 706 C C . LEU A 1 95 ? -14.029 -10.145 -0.505 1.00 41.30 ? 93 LEU A C 1 ATOM 707 O O . LEU A 1 95 ? -15.138 -10.155 0.035 1.00 38.74 ? 93 LEU A O 1 ATOM 708 C CB . LEU A 1 95 ? -14.450 -12.462 -1.456 1.00 40.40 ? 93 LEU A CB 1 ATOM 709 C CG . LEU A 1 95 ? -13.807 -13.596 -2.281 1.00 42.56 ? 93 LEU A CG 1 ATOM 710 C CD1 . LEU A 1 95 ? -14.818 -14.537 -2.889 1.00 36.68 ? 93 LEU A CD1 1 ATOM 711 C CD2 . LEU A 1 95 ? -12.931 -12.991 -3.373 1.00 37.50 ? 93 LEU A CD2 1 ATOM 712 N N . TYR A 1 96 ? -13.298 -9.043 -0.658 1.00 38.17 ? 94 TYR A N 1 ATOM 713 C CA . TYR A 1 96 ? -13.723 -7.753 -0.146 1.00 34.44 ? 94 TYR A CA 1 ATOM 714 C C . TYR A 1 96 ? -13.551 -6.688 -1.216 1.00 39.68 ? 94 TYR A C 1 ATOM 715 O O . TYR A 1 96 ? -12.758 -6.855 -2.140 1.00 42.47 ? 94 TYR A O 1 ATOM 716 C CB . TYR A 1 96 ? -12.936 -7.395 1.122 1.00 31.81 ? 94 TYR A CB 1 ATOM 717 C CG . TYR A 1 96 ? -13.156 -8.389 2.237 1.00 38.46 ? 94 TYR A CG 1 ATOM 718 C CD1 . TYR A 1 96 ? -12.400 -9.561 2.312 1.00 42.94 ? 94 TYR A CD1 1 ATOM 719 C CD2 . TYR A 1 96 ? -14.132 -8.176 3.204 1.00 33.23 ? 94 TYR A CD2 1 ATOM 720 C CE1 . TYR A 1 96 ? -12.605 -10.489 3.320 1.00 35.87 ? 94 TYR A CE1 1 ATOM 721 C CE2 . TYR A 1 96 ? -14.344 -9.096 4.205 1.00 38.58 ? 94 TYR A CE2 1 ATOM 722 C CZ . TYR A 1 96 ? -13.577 -10.256 4.257 1.00 37.56 ? 94 TYR A CZ 1 ATOM 723 O OH . TYR A 1 96 ? -13.792 -11.179 5.251 1.00 39.68 ? 94 TYR A OH 1 ATOM 724 N N . LEU A 1 97 ? -14.309 -5.601 -1.106 1.00 35.99 ? 95 LEU A N 1 ATOM 725 C CA . LEU A 1 97 ? -14.120 -4.477 -2.010 1.00 33.24 ? 95 LEU A CA 1 ATOM 726 C C . LEU A 1 97 ? -13.978 -3.140 -1.265 1.00 40.52 ? 95 LEU A C 1 ATOM 727 O O . LEU A 1 97 ? -14.260 -3.042 -0.054 1.00 36.64 ? 95 LEU A O 1 ATOM 728 C CB . LEU A 1 97 ? -15.221 -4.436 -3.085 1.00 30.50 ? 95 LEU A CB 1 ATOM 729 C CG . LEU A 1 97 ? -16.687 -4.394 -2.633 1.00 35.92 ? 95 LEU A CG 1 ATOM 730 C CD1 . LEU A 1 97 ? -17.102 -3.004 -2.126 1.00 29.95 ? 95 LEU A CD1 1 ATOM 731 C CD2 . LEU A 1 97 ? -17.618 -4.858 -3.741 1.00 30.00 ? 95 LEU A CD2 1 ATOM 732 N N . ASN A 1 98 ? -13.524 -2.125 -2.001 1.00 36.60 ? 96 ASN A N 1 ATOM 733 C CA . ASN A 1 98 ? -13.308 -0.788 -1.460 1.00 30.10 ? 96 ASN A CA 1 ATOM 734 C C . ASN A 1 98 ? -14.113 0.255 -2.206 1.00 33.97 ? 96 ASN A C 1 ATOM 735 O O . ASN A 1 98 ? -14.233 0.201 -3.429 1.00 39.43 ? 96 ASN A O 1 ATOM 736 C CB . ASN A 1 98 ? -11.847 -0.415 -1.570 1.00 30.28 ? 96 ASN A CB 1 ATOM 737 C CG . ASN A 1 98 ? -10.941 -1.487 -1.048 1.00 35.78 ? 96 ASN A CG 1 ATOM 738 O OD1 . ASN A 1 98 ? -10.950 -1.796 0.154 1.00 32.74 ? 96 ASN A OD1 1 ATOM 739 N ND2 . ASN A 1 98 ? -10.125 -2.056 -1.940 1.00 29.03 ? 96 ASN A ND2 1 ATOM 740 N N . VAL A 1 99 ? -14.664 1.210 -1.474 1.00 32.69 ? 97 VAL A N 1 ATOM 741 C CA . VAL A 1 99 ? -15.461 2.264 -2.097 1.00 38.91 ? 97 VAL A CA 1 ATOM 742 C C . VAL A 1 99 ? -14.978 3.649 -1.657 1.00 39.22 ? 97 VAL A C 1 ATOM 743 O O . VAL A 1 99 ? -14.898 3.943 -0.457 1.00 44.88 ? 97 VAL A O 1 ATOM 744 C CB . VAL A 1 99 ? -16.969 2.125 -1.742 1.00 34.15 ? 97 VAL A CB 1 ATOM 745 C CG1 . VAL A 1 99 ? -17.814 3.103 -2.558 1.00 23.47 ? 97 VAL A CG1 1 ATOM 746 C CG2 . VAL A 1 99 ? -17.448 0.696 -1.947 1.00 32.97 ? 97 VAL A CG2 1 ATOM 747 N N . TRP A 1 100 ? -14.657 4.502 -2.620 1.00 32.55 ? 98 TRP A N 1 ATOM 748 C CA . TRP A 1 100 ? -14.316 5.884 -2.293 1.00 32.67 ? 98 TRP A CA 1 ATOM 749 C C . TRP A 1 100 ? -15.359 6.810 -2.884 1.00 37.37 ? 98 TRP A C 1 ATOM 750 O O . TRP A 1 100 ? -15.637 6.755 -4.091 1.00 34.80 ? 98 TRP A O 1 ATOM 751 C CB . TRP A 1 100 ? -12.941 6.271 -2.838 1.00 26.30 ? 98 TRP A CB 1 ATOM 752 C CG . TRP A 1 100 ? -11.753 5.625 -2.170 1.00 41.32 ? 98 TRP A CG 1 ATOM 753 C CD1 . TRP A 1 100 ? -11.073 6.091 -1.079 1.00 39.17 ? 98 TRP A CD1 1 ATOM 754 C CD2 . TRP A 1 100 ? -11.082 4.414 -2.574 1.00 45.01 ? 98 TRP A CD2 1 ATOM 755 N NE1 . TRP A 1 100 ? -10.032 5.247 -0.774 1.00 43.21 ? 98 TRP A NE1 1 ATOM 756 C CE2 . TRP A 1 100 ? -10.012 4.211 -1.673 1.00 43.98 ? 98 TRP A CE2 1 ATOM 757 C CE3 . TRP A 1 100 ? -11.288 3.482 -3.601 1.00 38.61 ? 98 TRP A CE3 1 ATOM 758 C CZ2 . TRP A 1 100 ? -9.143 3.113 -1.771 1.00 35.72 ? 98 TRP A CZ2 1 ATOM 759 C CZ3 . TRP A 1 100 ? -10.427 2.390 -3.696 1.00 36.22 ? 98 TRP A CZ3 1 ATOM 760 C CH2 . TRP A 1 100 ? -9.368 2.217 -2.785 1.00 36.40 ? 98 TRP A CH2 1 ATOM 761 N N . ILE A 1 101 ? -15.915 7.679 -2.044 1.00 36.85 ? 99 ILE A N 1 ATOM 762 C CA . ILE A 1 101 ? -16.991 8.574 -2.473 1.00 45.93 ? 99 ILE A CA 1 ATOM 763 C C . ILE A 1 101 ? -16.630 10.028 -2.238 1.00 45.57 ? 99 ILE A C 1 ATOM 764 O O . ILE A 1 101 ? -16.035 10.359 -1.213 1.00 44.39 ? 99 ILE A O 1 ATOM 765 C CB . ILE A 1 101 ? -18.292 8.258 -1.725 1.00 52.69 ? 99 ILE A CB 1 ATOM 766 C CG1 . ILE A 1 101 ? -18.678 6.807 -1.961 1.00 52.49 ? 99 ILE A CG1 1 ATOM 767 C CG2 . ILE A 1 101 ? -19.416 9.161 -2.159 1.00 55.07 ? 99 ILE A CG2 1 ATOM 768 C CD1 . ILE A 1 101 ? -18.408 5.974 -0.769 1.00 61.74 ? 99 ILE A CD1 1 ATOM 769 N N . PRO A 1 102 ? -16.961 10.905 -3.197 1.00 54.38 ? 100 PRO A N 1 ATOM 770 C CA . PRO A 1 102 ? -16.690 12.323 -2.944 1.00 56.59 ? 100 PRO A CA 1 ATOM 771 C C . PRO A 1 102 ? -17.525 12.841 -1.790 1.00 48.52 ? 100 PRO A C 1 ATOM 772 O O . PRO A 1 102 ? -18.611 12.313 -1.495 1.00 43.61 ? 100 PRO A O 1 ATOM 773 C CB . PRO A 1 102 ? -17.099 13.011 -4.259 1.00 56.82 ? 100 PRO A CB 1 ATOM 774 C CG . PRO A 1 102 ? -17.951 12.019 -4.974 1.00 55.44 ? 100 PRO A CG 1 ATOM 775 C CD . PRO A 1 102 ? -17.413 10.675 -4.577 1.00 58.20 ? 100 PRO A CD 1 ATOM 776 N N . ALA A 1 103 ? -16.989 13.841 -1.106 1.00 43.86 ? 101 ALA A N 1 ATOM 777 C CA . ALA A 1 103 ? -17.759 14.562 -0.112 1.00 48.76 ? 101 ALA A CA 1 ATOM 778 C C . ALA A 1 103 ? -17.817 16.020 -0.556 1.00 59.89 ? 101 ALA A C 1 ATOM 779 O O . ALA A 1 103 ? -16.813 16.577 -1.015 1.00 52.39 ? 101 ALA A O 1 ATOM 780 C CB . ALA A 1 103 ? -17.158 14.422 1.273 1.00 43.74 ? 101 ALA A CB 1 ATOM 781 N N . PRO A 1 104 ? -19.007 16.631 -0.459 1.00 62.50 ? 102 PRO A N 1 ATOM 782 C CA . PRO A 1 104 ? -20.236 15.986 0.029 1.00 58.30 ? 102 PRO A CA 1 ATOM 783 C C . PRO A 1 104 ? -20.815 14.958 -0.954 1.00 54.38 ? 102 PRO A C 1 ATOM 784 O O . PRO A 1 104 ? -20.446 14.953 -2.129 1.00 55.26 ? 102 PRO A O 1 ATOM 785 C CB . PRO A 1 104 ? -21.201 17.163 0.198 1.00 56.47 ? 102 PRO A CB 1 ATOM 786 C CG . PRO A 1 104 ? -20.715 18.174 -0.790 1.00 56.30 ? 102 PRO A CG 1 ATOM 787 C CD . PRO A 1 104 ? -19.220 18.049 -0.793 1.00 57.41 ? 102 PRO A CD 1 ATOM 788 N N . LYS A 1 105 ? -21.713 14.114 -0.453 1.00 50.19 ? 103 LYS A N 1 ATOM 789 C CA . LYS A 1 105 ? -22.221 12.959 -1.179 1.00 56.86 ? 103 LYS A CA 1 ATOM 790 C C . LYS A 1 105 ? -22.900 13.342 -2.491 1.00 54.60 ? 103 LYS A C 1 ATOM 791 O O . LYS A 1 105 ? -23.783 14.195 -2.510 1.00 57.11 ? 103 LYS A O 1 ATOM 792 C CB . LYS A 1 105 ? -23.198 12.184 -0.287 1.00 56.39 ? 103 LYS A CB 1 ATOM 793 C CG . LYS A 1 105 ? -23.616 10.824 -0.807 1.00 56.73 ? 103 LYS A CG 1 ATOM 794 C CD . LYS A 1 105 ? -24.889 10.360 -0.111 1.00 59.31 ? 103 LYS A CD 1 ATOM 795 C CE . LYS A 1 105 ? -25.048 8.848 -0.145 1.00 56.85 ? 103 LYS A CE 1 ATOM 796 N NZ . LYS A 1 105 ? -26.115 8.393 0.804 1.00 59.78 ? 103 LYS A NZ 1 ATOM 797 N N . PRO A 1 106 ? -22.470 12.717 -3.598 1.00 50.31 ? 104 PRO A N 1 ATOM 798 C CA . PRO A 1 106 ? -23.110 12.902 -4.903 1.00 45.13 ? 104 PRO A CA 1 ATOM 799 C C . PRO A 1 106 ? -24.494 12.256 -4.929 1.00 50.18 ? 104 PRO A C 1 ATOM 800 O O . PRO A 1 106 ? -24.806 11.441 -4.061 1.00 56.73 ? 104 PRO A O 1 ATOM 801 C CB . PRO A 1 106 ? -22.159 12.186 -5.865 1.00 45.50 ? 104 PRO A CB 1 ATOM 802 C CG . PRO A 1 106 ? -21.420 11.221 -5.031 1.00 51.75 ? 104 PRO A CG 1 ATOM 803 C CD . PRO A 1 106 ? -21.272 11.870 -3.689 1.00 49.83 ? 104 PRO A CD 1 ATOM 804 N N . LYS A 1 107 ? -25.315 12.623 -5.907 1.00 48.78 ? 105 LYS A N 1 ATOM 805 C CA . LYS A 1 107 ? -26.678 12.119 -5.981 1.00 53.99 ? 105 LYS A CA 1 ATOM 806 C C . LYS A 1 107 ? -26.747 11.028 -7.032 1.00 56.61 ? 105 LYS A C 1 ATOM 807 O O . LYS A 1 107 ? -27.607 10.146 -6.972 1.00 57.24 ? 105 LYS A O 1 ATOM 808 C CB . LYS A 1 107 ? -27.666 13.244 -6.327 1.00 56.08 ? 105 LYS A CB 1 ATOM 809 C CG . LYS A 1 107 ? -27.150 14.655 -6.039 1.00 64.99 ? 105 LYS A CG 1 ATOM 810 C CD . LYS A 1 107 ? -27.558 15.154 -4.654 1.00 72.00 ? 105 LYS A CD 1 ATOM 811 C CE . LYS A 1 107 ? -28.941 15.795 -4.678 1.00 73.04 ? 105 LYS A CE 1 ATOM 812 N NZ . LYS A 1 107 ? -29.475 16.033 -3.304 1.00 75.92 ? 105 LYS A NZ 1 ATOM 813 N N . ASN A 1 108 ? -25.829 11.087 -7.993 1.00 54.55 ? 106 ASN A N 1 ATOM 814 C CA . ASN A 1 108 ? -25.855 10.158 -9.113 1.00 50.71 ? 106 ASN A CA 1 ATOM 815 C C . ASN A 1 108 ? -24.493 10.084 -9.800 1.00 44.96 ? 106 ASN A C 1 ATOM 816 O O . ASN A 1 108 ? -24.373 10.313 -11.003 1.00 44.95 ? 106 ASN A O 1 ATOM 817 C CB . ASN A 1 108 ? -26.917 10.630 -10.097 1.00 52.33 ? 106 ASN A CB 1 ATOM 818 C CG . ASN A 1 108 ? -27.646 9.495 -10.762 1.00 60.78 ? 106 ASN A CG 1 ATOM 819 O OD1 . ASN A 1 108 ? -27.525 8.330 -10.367 1.00 54.17 ? 106 ASN A OD1 1 ATOM 820 N ND2 . ASN A 1 108 ? -28.427 9.841 -11.791 1.00 77.70 ? 106 ASN A ND2 1 ATOM 821 N N . ALA A 1 109 ? -23.457 9.773 -9.034 1.00 41.63 ? 107 ALA A N 1 ATOM 822 C CA . ALA A 1 109 ? -22.100 9.836 -9.571 1.00 38.04 ? 107 ALA A CA 1 ATOM 823 C C . ALA A 1 109 ? -21.770 8.682 -10.516 1.00 33.42 ? 107 ALA A C 1 ATOM 824 O O . ALA A 1 109 ? -22.320 7.581 -10.411 1.00 33.90 ? 107 ALA A O 1 ATOM 825 C CB . ALA A 1 109 ? -21.061 9.926 -8.440 1.00 32.16 ? 107 ALA A CB 1 ATOM 826 N N . THR A 1 110 ? -20.875 8.965 -11.451 1.00 24.02 ? 108 THR A N 1 ATOM 827 C CA . THR A 1 110 ? -20.344 7.959 -12.338 1.00 30.08 ? 108 THR A CA 1 ATOM 828 C C . THR A 1 110 ? -19.358 7.115 -11.544 1.00 29.38 ? 108 THR A C 1 ATOM 829 O O . THR A 1 110 ? -18.574 7.639 -10.754 1.00 34.63 ? 108 THR A O 1 ATOM 830 C CB . THR A 1 110 ? -19.648 8.600 -13.559 1.00 36.02 ? 108 THR A CB 1 ATOM 831 O OG1 . THR A 1 110 ? -20.631 8.929 -14.545 1.00 34.37 ? 108 THR A OG1 1 ATOM 832 C CG2 . THR A 1 110 ? -18.629 7.639 -14.173 1.00 40.19 ? 108 THR A CG2 1 ATOM 833 N N . VAL A 1 111 ? -19.421 5.806 -11.735 1.00 25.81 ? 109 VAL A N 1 ATOM 834 C CA . VAL A 1 111 ? -18.602 4.893 -10.971 1.00 27.60 ? 109 VAL A CA 1 ATOM 835 C C . VAL A 1 111 ? -17.490 4.298 -11.814 1.00 32.69 ? 109 VAL A C 1 ATOM 836 O O . VAL A 1 111 ? -17.724 3.808 -12.919 1.00 39.16 ? 109 VAL A O 1 ATOM 837 C CB . VAL A 1 111 ? -19.455 3.753 -10.423 1.00 30.49 ? 109 VAL A CB 1 ATOM 838 C CG1 . VAL A 1 111 ? -18.640 2.892 -9.478 1.00 31.40 ? 109 VAL A CG1 1 ATOM 839 C CG2 . VAL A 1 111 ? -20.685 4.315 -9.738 1.00 26.19 ? 109 VAL A CG2 1 ATOM 840 N N . LEU A 1 112 ? -16.278 4.341 -11.283 1.00 31.11 ? 110 LEU A N 1 ATOM 841 C CA . LEU A 1 112 ? -15.159 3.622 -11.874 1.00 32.48 ? 110 LEU A CA 1 ATOM 842 C C . LEU A 1 112 ? -14.795 2.415 -11.023 1.00 32.62 ? 110 LEU A C 1 ATOM 843 O O . LEU A 1 112 ? -14.540 2.558 -9.828 1.00 34.10 ? 110 LEU A O 1 ATOM 844 C CB . LEU A 1 112 ? -13.936 4.520 -12.029 1.00 28.12 ? 110 LEU A CB 1 ATOM 845 C CG . LEU A 1 112 ? -13.928 5.465 -13.222 1.00 36.35 ? 110 LEU A CG 1 ATOM 846 C CD1 . LEU A 1 112 ? -15.046 6.483 -13.083 1.00 45.48 ? 110 LEU A CD1 1 ATOM 847 C CD2 . LEU A 1 112 ? -12.599 6.159 -13.242 1.00 36.71 ? 110 LEU A CD2 1 ATOM 848 N N . ILE A 1 113 ? -14.777 1.234 -11.642 1.00 33.88 ? 111 ILE A N 1 ATOM 849 C CA . ILE A 1 113 ? -14.392 -0.002 -10.964 1.00 33.90 ? 111 ILE A CA 1 ATOM 850 C C . ILE A 1 113 ? -13.003 -0.479 -11.407 1.00 26.79 ? 111 ILE A C 1 ATOM 851 O O . ILE A 1 113 ? -12.780 -0.777 -12.569 1.00 27.78 ? 111 ILE A O 1 ATOM 852 C CB . ILE A 1 113 ? -15.438 -1.101 -11.206 1.00 33.14 ? 111 ILE A CB 1 ATOM 853 C CG1 . ILE A 1 113 ? -16.836 -0.562 -10.886 1.00 30.42 ? 111 ILE A CG1 1 ATOM 854 C CG2 . ILE A 1 113 ? -15.097 -2.373 -10.414 1.00 21.43 ? 111 ILE A CG2 1 ATOM 855 C CD1 . ILE A 1 113 ? -17.891 -1.639 -10.803 1.00 34.79 ? 111 ILE A CD1 1 ATOM 856 N N . TRP A 1 114 ? -12.063 -0.539 -10.478 1.00 24.64 ? 112 TRP A N 1 ATOM 857 C CA . TRP A 1 114 ? -10.687 -0.903 -10.828 1.00 25.73 ? 112 TRP A CA 1 ATOM 858 C C . TRP A 1 114 ? -10.453 -2.393 -10.675 1.00 25.41 ? 112 TRP A C 1 ATOM 859 O O . TRP A 1 114 ? -10.823 -2.976 -9.670 1.00 30.34 ? 112 TRP A O 1 ATOM 860 C CB . TRP A 1 114 ? -9.684 -0.167 -9.942 1.00 23.91 ? 112 TRP A CB 1 ATOM 861 C CG . TRP A 1 114 ? -8.266 -0.612 -10.148 1.00 31.32 ? 112 TRP A CG 1 ATOM 862 C CD1 . TRP A 1 114 ? -7.492 -1.340 -9.288 1.00 30.21 ? 112 TRP A CD1 1 ATOM 863 C CD2 . TRP A 1 114 ? -7.444 -0.344 -11.294 1.00 29.85 ? 112 TRP A CD2 1 ATOM 864 N NE1 . TRP A 1 114 ? -6.232 -1.528 -9.823 1.00 35.73 ? 112 TRP A NE1 1 ATOM 865 C CE2 . TRP A 1 114 ? -6.184 -0.935 -11.057 1.00 25.64 ? 112 TRP A CE2 1 ATOM 866 C CE3 . TRP A 1 114 ? -7.649 0.343 -12.492 1.00 22.33 ? 112 TRP A CE3 1 ATOM 867 C CZ2 . TRP A 1 114 ? -5.145 -0.859 -11.974 1.00 22.40 ? 112 TRP A CZ2 1 ATOM 868 C CZ3 . TRP A 1 114 ? -6.611 0.412 -13.408 1.00 26.46 ? 112 TRP A CZ3 1 ATOM 869 C CH2 . TRP A 1 114 ? -5.374 -0.175 -13.142 1.00 19.96 ? 112 TRP A CH2 1 ATOM 870 N N . ILE A 1 115 ? -9.837 -3.005 -11.673 1.00 27.46 ? 113 ILE A N 1 ATOM 871 C CA . ILE A 1 115 ? -9.469 -4.406 -11.586 1.00 27.52 ? 113 ILE A CA 1 ATOM 872 C C . ILE A 1 115 ? -7.959 -4.548 -11.738 1.00 24.45 ? 113 ILE A C 1 ATOM 873 O O . ILE A 1 115 ? -7.434 -4.339 -12.814 1.00 31.88 ? 113 ILE A O 1 ATOM 874 C CB . ILE A 1 115 ? -10.193 -5.231 -12.649 1.00 27.81 ? 113 ILE A CB 1 ATOM 875 C CG1 . ILE A 1 115 ? -11.705 -4.980 -12.537 1.00 27.39 ? 113 ILE A CG1 1 ATOM 876 C CG2 . ILE A 1 115 ? -9.828 -6.723 -12.510 1.00 21.41 ? 113 ILE A CG2 1 ATOM 877 C CD1 . ILE A 1 115 ? -12.576 -5.876 -13.434 1.00 23.17 ? 113 ILE A CD1 1 ATOM 878 N N . TYR A 1 116 ? -7.267 -4.885 -10.651 1.00 27.20 ? 114 TYR A N 1 ATOM 879 C CA . TYR A 1 116 ? -5.810 -5.015 -10.678 1.00 28.03 ? 114 TYR A CA 1 ATOM 880 C C . TYR A 1 116 ? -5.316 -6.136 -11.578 1.00 30.66 ? 114 TYR A C 1 ATOM 881 O O . TYR A 1 116 ? -6.059 -7.054 -11.911 1.00 35.34 ? 114 TYR A O 1 ATOM 882 C CB . TYR A 1 116 ? -5.228 -5.196 -9.260 1.00 29.63 ? 114 TYR A CB 1 ATOM 883 C CG . TYR A 1 116 ? -5.744 -6.388 -8.469 1.00 32.53 ? 114 TYR A CG 1 ATOM 884 C CD1 . TYR A 1 116 ? -5.269 -7.679 -8.705 1.00 39.50 ? 114 TYR A CD1 1 ATOM 885 C CD2 . TYR A 1 116 ? -6.674 -6.212 -7.456 1.00 40.42 ? 114 TYR A CD2 1 ATOM 886 C CE1 . TYR A 1 116 ? -5.732 -8.766 -7.968 1.00 34.97 ? 114 TYR A CE1 1 ATOM 887 C CE2 . TYR A 1 116 ? -7.143 -7.276 -6.716 1.00 44.41 ? 114 TYR A CE2 1 ATOM 888 C CZ . TYR A 1 116 ? -6.674 -8.555 -6.971 1.00 42.58 ? 114 TYR A CZ 1 ATOM 889 O OH . TYR A 1 116 ? -7.158 -9.599 -6.209 1.00 32.80 ? 114 TYR A OH 1 ATOM 890 N N . GLY A 1 117 ? -4.043 -6.060 -11.949 1.00 29.63 ? 115 GLY A N 1 ATOM 891 C CA . GLY A 1 117 ? -3.378 -7.148 -12.646 1.00 26.18 ? 115 GLY A CA 1 ATOM 892 C C . GLY A 1 117 ? -2.384 -7.860 -11.736 1.00 36.58 ? 115 GLY A C 1 ATOM 893 O O . GLY A 1 117 ? -2.434 -7.728 -10.502 1.00 33.87 ? 115 GLY A O 1 ATOM 894 N N . GLY A 1 118 ? -1.459 -8.594 -12.349 1.00 36.16 ? 116 GLY A N 1 ATOM 895 C CA . GLY A 1 118 ? -0.559 -9.471 -11.624 1.00 33.31 ? 116 GLY A CA 1 ATOM 896 C C . GLY A 1 118 ? -0.577 -10.877 -12.210 1.00 29.69 ? 116 GLY A C 1 ATOM 897 O O . GLY A 1 118 ? -0.354 -11.855 -11.508 1.00 33.15 ? 116 GLY A O 1 ATOM 898 N N . GLY A 1 119 ? -0.845 -10.956 -13.513 1.00 34.19 ? 117 GLY A N 1 ATOM 899 C CA . GLY A 1 119 ? -0.781 -12.188 -14.277 1.00 29.47 ? 117 GLY A CA 1 ATOM 900 C C . GLY A 1 119 ? -1.686 -13.284 -13.756 1.00 36.72 ? 117 GLY A C 1 ATOM 901 O O . GLY A 1 119 ? -1.365 -14.462 -13.884 1.00 42.53 ? 117 GLY A O 1 ATOM 902 N N . PHE A 1 120 ? -2.804 -12.888 -13.151 1.00 37.59 ? 118 PHE A N 1 ATOM 903 C CA . PHE A 1 120 ? -3.776 -13.823 -12.585 1.00 34.58 ? 118 PHE A CA 1 ATOM 904 C C . PHE A 1 120 ? -3.216 -14.682 -11.433 1.00 39.16 ? 118 PHE A C 1 ATOM 905 O O . PHE A 1 120 ? -3.919 -15.538 -10.913 1.00 42.37 ? 118 PHE A O 1 ATOM 906 C CB . PHE A 1 120 ? -4.409 -14.697 -13.686 1.00 26.41 ? 118 PHE A CB 1 ATOM 907 C CG . PHE A 1 120 ? -5.125 -13.897 -14.773 1.00 36.94 ? 118 PHE A CG 1 ATOM 908 C CD1 . PHE A 1 120 ? -6.366 -13.297 -14.523 1.00 31.61 ? 118 PHE A CD1 1 ATOM 909 C CD2 . PHE A 1 120 ? -4.562 -13.755 -16.046 1.00 26.66 ? 118 PHE A CD2 1 ATOM 910 C CE1 . PHE A 1 120 ? -7.030 -12.582 -15.517 1.00 27.92 ? 118 PHE A CE1 1 ATOM 911 C CE2 . PHE A 1 120 ? -5.216 -13.037 -17.041 1.00 27.59 ? 118 PHE A CE2 1 ATOM 912 C CZ . PHE A 1 120 ? -6.452 -12.449 -16.779 1.00 29.74 ? 118 PHE A CZ 1 ATOM 913 N N . GLN A 1 121 ? -1.961 -14.445 -11.043 1.00 35.72 ? 119 GLN A N 1 ATOM 914 C CA . GLN A 1 121 ? -1.322 -15.162 -9.936 1.00 34.77 ? 119 GLN A CA 1 ATOM 915 C C . GLN A 1 121 ? -1.148 -14.284 -8.698 1.00 45.10 ? 119 GLN A C 1 ATOM 916 O O . GLN A 1 121 ? -0.976 -14.793 -7.595 1.00 50.20 ? 119 GLN A O 1 ATOM 917 C CB . GLN A 1 121 ? 0.066 -15.670 -10.336 1.00 30.25 ? 119 GLN A CB 1 ATOM 918 C CG . GLN A 1 121 ? 0.148 -16.290 -11.708 1.00 40.02 ? 119 GLN A CG 1 ATOM 919 C CD . GLN A 1 121 ? -0.857 -17.410 -11.909 1.00 51.61 ? 119 GLN A CD 1 ATOM 920 O OE1 . GLN A 1 121 ? -0.776 -18.475 -11.271 1.00 53.00 ? 119 GLN A OE1 1 ATOM 921 N NE2 . GLN A 1 121 ? -1.817 -17.177 -12.797 1.00 40.03 ? 119 GLN A NE2 1 ATOM 922 N N . THR A 1 122 ? -1.153 -12.967 -8.885 1.00 41.82 ? 120 THR A N 1 ATOM 923 C CA . THR A 1 122 ? -0.792 -12.042 -7.814 1.00 39.07 ? 120 THR A CA 1 ATOM 924 C C . THR A 1 122 ? -1.661 -10.795 -7.893 1.00 44.94 ? 120 THR A C 1 ATOM 925 O O . THR A 1 122 ? -2.502 -10.689 -8.782 1.00 35.22 ? 120 THR A O 1 ATOM 926 C CB . THR A 1 122 ? 0.685 -11.581 -7.925 1.00 33.67 ? 120 THR A CB 1 ATOM 927 O OG1 . THR A 1 122 ? 0.874 -10.871 -9.153 1.00 37.12 ? 120 THR A OG1 1 ATOM 928 C CG2 . THR A 1 122 ? 1.661 -12.757 -7.868 1.00 30.92 ? 120 THR A CG2 1 ATOM 929 N N . GLY A 1 123 ? -1.438 -9.855 -6.967 1.00 45.76 ? 121 GLY A N 1 ATOM 930 C CA . GLY A 1 123 ? -2.149 -8.587 -6.931 1.00 37.05 ? 121 GLY A CA 1 ATOM 931 C C . GLY A 1 123 ? -3.102 -8.409 -5.754 1.00 41.50 ? 121 GLY A C 1 ATOM 932 O O . GLY A 1 123 ? -3.465 -9.372 -5.072 1.00 43.74 ? 121 GLY A O 1 ATOM 933 N N . THR A 1 124 ? -3.515 -7.165 -5.525 1.00 37.13 ? 122 THR A N 1 ATOM 934 C CA . THR A 1 124 ? -4.417 -6.802 -4.426 1.00 39.94 ? 122 THR A CA 1 ATOM 935 C C . THR A 1 124 ? -4.910 -5.363 -4.646 1.00 43.35 ? 122 THR A C 1 ATOM 936 O O . THR A 1 124 ? -4.204 -4.545 -5.236 1.00 41.76 ? 122 THR A O 1 ATOM 937 C CB . THR A 1 124 ? -3.745 -6.946 -3.011 1.00 37.04 ? 122 THR A CB 1 ATOM 938 O OG1 . THR A 1 124 ? -4.740 -6.851 -1.992 1.00 46.60 ? 122 THR A OG1 1 ATOM 939 C CG2 . THR A 1 124 ? -2.687 -5.866 -2.761 1.00 31.39 ? 122 THR A CG2 1 ATOM 940 N N . SER A 1 125 ? -6.118 -5.056 -4.181 1.00 41.67 ? 123 SER A N 1 ATOM 941 C CA . SER A 1 125 ? -6.725 -3.749 -4.432 1.00 38.38 ? 123 SER A CA 1 ATOM 942 C C . SER A 1 125 ? -6.215 -2.673 -3.470 1.00 40.51 ? 123 SER A C 1 ATOM 943 O O . SER A 1 125 ? -6.591 -1.506 -3.568 1.00 40.32 ? 123 SER A O 1 ATOM 944 C CB . SER A 1 125 ? -8.238 -3.852 -4.289 1.00 32.42 ? 123 SER A CB 1 ATOM 945 O OG . SER A 1 125 ? -8.574 -4.152 -2.943 1.00 41.16 ? 123 SER A OG 1 ATOM 946 N N . SER A 1 126 ? -5.368 -3.071 -2.530 1.00 40.57 ? 124 SER A N 1 ATOM 947 C CA . SER A 1 126 ? -4.968 -2.181 -1.441 1.00 42.42 ? 124 SER A CA 1 ATOM 948 C C . SER A 1 126 ? -3.580 -1.551 -1.634 1.00 42.47 ? 124 SER A C 1 ATOM 949 O O . SER A 1 126 ? -3.059 -0.907 -0.728 1.00 39.73 ? 124 SER A O 1 ATOM 950 C CB . SER A 1 126 ? -5.046 -2.917 -0.096 1.00 32.84 ? 124 SER A CB 1 ATOM 951 O OG . SER A 1 126 ? -4.324 -4.134 -0.130 1.00 42.44 ? 124 SER A OG 1 ATOM 952 N N . LEU A 1 127 ? -2.989 -1.738 -2.811 1.00 38.03 ? 125 LEU A N 1 ATOM 953 C CA . LEU A 1 127 ? -1.706 -1.122 -3.114 1.00 39.18 ? 125 LEU A CA 1 ATOM 954 C C . LEU A 1 127 ? -1.873 0.384 -3.158 1.00 40.06 ? 125 LEU A C 1 ATOM 955 O O . LEU A 1 127 ? -2.944 0.887 -3.522 1.00 35.45 ? 125 LEU A O 1 ATOM 956 C CB . LEU A 1 127 ? -1.169 -1.611 -4.458 1.00 39.27 ? 125 LEU A CB 1 ATOM 957 C CG . LEU A 1 127 ? -0.773 -3.078 -4.584 1.00 31.98 ? 125 LEU A CG 1 ATOM 958 C CD1 . LEU A 1 127 ? -0.262 -3.332 -5.983 1.00 31.71 ? 125 LEU A CD1 1 ATOM 959 C CD2 . LEU A 1 127 ? 0.273 -3.444 -3.560 1.00 37.91 ? 125 LEU A CD2 1 ATOM 960 N N . HIS A 1 128 ? -0.811 1.096 -2.794 1.00 43.19 ? 126 HIS A N 1 ATOM 961 C CA . HIS A 1 128 ? -0.841 2.558 -2.761 1.00 43.25 ? 126 HIS A CA 1 ATOM 962 C C . HIS A 1 128 ? -1.136 3.156 -4.141 1.00 43.70 ? 126 HIS A C 1 ATOM 963 O O . HIS A 1 128 ? -1.877 4.132 -4.241 1.00 47.04 ? 126 HIS A O 1 ATOM 964 C CB . HIS A 1 128 ? 0.461 3.124 -2.166 1.00 39.00 ? 126 HIS A CB 1 ATOM 965 C CG . HIS A 1 128 ? 0.488 4.623 -2.064 1.00 52.70 ? 126 HIS A CG 1 ATOM 966 N ND1 . HIS A 1 128 ? -0.580 5.362 -1.596 1.00 61.54 ? 126 HIS A ND1 1 ATOM 967 C CD2 . HIS A 1 128 ? 1.458 5.519 -2.369 1.00 53.43 ? 126 HIS A CD2 1 ATOM 968 C CE1 . HIS A 1 128 ? -0.272 6.646 -1.624 1.00 60.24 ? 126 HIS A CE1 1 ATOM 969 N NE2 . HIS A 1 128 ? 0.962 6.768 -2.083 1.00 57.40 ? 126 HIS A NE2 1 ATOM 970 N N . VAL A 1 129 ? -0.586 2.557 -5.200 1.00 35.78 ? 127 VAL A N 1 ATOM 971 C CA . VAL A 1 129 ? -0.820 3.048 -6.568 1.00 24.80 ? 127 VAL A CA 1 ATOM 972 C C . VAL A 1 129 ? -2.238 2.830 -7.095 1.00 26.72 ? 127 VAL A C 1 ATOM 973 O O . VAL A 1 129 ? -2.549 3.252 -8.204 1.00 37.12 ? 127 VAL A O 1 ATOM 974 C CB . VAL A 1 129 ? 0.194 2.480 -7.586 1.00 32.29 ? 127 VAL A CB 1 ATOM 975 C CG1 . VAL A 1 129 ? 1.599 2.977 -7.279 1.00 21.93 ? 127 VAL A CG1 1 ATOM 976 C CG2 . VAL A 1 129 ? 0.127 0.935 -7.617 1.00 32.67 ? 127 VAL A CG2 1 ATOM 977 N N . TYR A 1 130 ? -3.100 2.179 -6.313 1.00 32.25 ? 128 TYR A N 1 ATOM 978 C CA . TYR A 1 130 ? -4.522 2.065 -6.671 1.00 30.91 ? 128 TYR A CA 1 ATOM 979 C C . TYR A 1 130 ? -5.427 2.798 -5.677 1.00 25.30 ? 128 TYR A C 1 ATOM 980 O O . TYR A 1 130 ? -6.611 2.485 -5.573 1.00 28.96 ? 128 TYR A O 1 ATOM 981 C CB . TYR A 1 130 ? -4.997 0.602 -6.712 1.00 30.88 ? 128 TYR A CB 1 ATOM 982 C CG . TYR A 1 130 ? -4.121 -0.383 -7.442 1.00 33.03 ? 128 TYR A CG 1 ATOM 983 C CD1 . TYR A 1 130 ? -3.346 -0.003 -8.527 1.00 35.32 ? 128 TYR A CD1 1 ATOM 984 C CD2 . TYR A 1 130 ? -4.086 -1.710 -7.043 1.00 32.17 ? 128 TYR A CD2 1 ATOM 985 C CE1 . TYR A 1 130 ? -2.562 -0.919 -9.189 1.00 33.99 ? 128 TYR A CE1 1 ATOM 986 C CE2 . TYR A 1 130 ? -3.321 -2.625 -7.689 1.00 31.11 ? 128 TYR A CE2 1 ATOM 987 C CZ . TYR A 1 130 ? -2.559 -2.237 -8.764 1.00 37.92 ? 128 TYR A CZ 1 ATOM 988 O OH . TYR A 1 130 ? -1.778 -3.178 -9.394 1.00 35.46 ? 128 TYR A OH 1 ATOM 989 N N . ASP A 1 131 ? -4.874 3.732 -4.914 1.00 32.13 ? 129 ASP A N 1 ATOM 990 C CA . ASP A 1 131 ? -5.669 4.510 -3.960 1.00 33.76 ? 129 ASP A CA 1 ATOM 991 C C . ASP A 1 131 ? -6.610 5.402 -4.776 1.00 34.11 ? 129 ASP A C 1 ATOM 992 O O . ASP A 1 131 ? -6.162 6.200 -5.598 1.00 39.28 ? 129 ASP A O 1 ATOM 993 C CB . ASP A 1 131 ? -4.741 5.342 -3.070 1.00 35.75 ? 129 ASP A CB 1 ATOM 994 C CG . ASP A 1 131 ? -5.427 5.898 -1.850 1.00 42.45 ? 129 ASP A CG 1 ATOM 995 O OD1 . ASP A 1 131 ? -6.662 6.052 -1.872 1.00 41.89 ? 129 ASP A OD1 1 ATOM 996 O OD2 . ASP A 1 131 ? -4.717 6.201 -0.865 1.00 56.72 ? 129 ASP A OD2 1 ATOM 997 N N . GLY A 1 132 ? -7.912 5.221 -4.583 1.00 33.45 ? 130 GLY A N 1 ATOM 998 C CA . GLY A 1 132 ? -8.915 5.930 -5.354 1.00 35.84 ? 130 GLY A CA 1 ATOM 999 C C . GLY A 1 132 ? -9.409 7.211 -4.700 1.00 39.46 ? 130 GLY A C 1 ATOM 1000 O O . GLY A 1 132 ? -10.355 7.830 -5.179 1.00 36.98 ? 130 GLY A O 1 ATOM 1001 N N . LYS A 1 133 ? -8.776 7.626 -3.610 1.00 33.52 ? 131 LYS A N 1 ATOM 1002 C CA . LYS A 1 133 ? -9.222 8.842 -2.952 1.00 38.25 ? 131 LYS A CA 1 ATOM 1003 C C . LYS A 1 133 ? -9.027 10.088 -3.844 1.00 43.65 ? 131 LYS A C 1 ATOM 1004 O O . LYS A 1 133 ? -9.816 11.034 -3.786 1.00 47.14 ? 131 LYS A O 1 ATOM 1005 C CB . LYS A 1 133 ? -8.541 9.008 -1.594 1.00 37.12 ? 131 LYS A CB 1 ATOM 1006 C CG . LYS A 1 133 ? -7.024 9.091 -1.669 1.00 38.96 ? 131 LYS A CG 1 ATOM 1007 C CD . LYS A 1 133 ? -6.411 9.189 -0.286 1.00 38.13 ? 131 LYS A CD 1 ATOM 1008 C CE . LYS A 1 133 ? -4.909 9.331 -0.375 1.00 47.09 ? 131 LYS A CE 1 ATOM 1009 N NZ . LYS A 1 133 ? -4.282 9.245 0.959 1.00 53.93 ? 131 LYS A NZ 1 ATOM 1010 N N . PHE A 1 134 ? -8.002 10.070 -4.690 1.00 34.24 ? 132 PHE A N 1 ATOM 1011 C CA . PHE A 1 134 ? -7.695 11.230 -5.519 1.00 33.74 ? 132 PHE A CA 1 ATOM 1012 C C . PHE A 1 134 ? -8.717 11.467 -6.621 1.00 40.38 ? 132 PHE A C 1 ATOM 1013 O O . PHE A 1 134 ? -9.166 12.605 -6.813 1.00 44.05 ? 132 PHE A O 1 ATOM 1014 C CB . PHE A 1 134 ? -6.289 11.123 -6.119 1.00 38.90 ? 132 PHE A CB 1 ATOM 1015 C CG . PHE A 1 134 ? -5.195 11.042 -5.090 1.00 40.88 ? 132 PHE A CG 1 ATOM 1016 C CD1 . PHE A 1 134 ? -4.996 12.069 -4.192 1.00 36.36 ? 132 PHE A CD1 1 ATOM 1017 C CD2 . PHE A 1 134 ? -4.372 9.929 -5.019 1.00 44.43 ? 132 PHE A CD2 1 ATOM 1018 C CE1 . PHE A 1 134 ? -3.991 11.992 -3.245 1.00 37.73 ? 132 PHE A CE1 1 ATOM 1019 C CE2 . PHE A 1 134 ? -3.367 9.850 -4.087 1.00 38.30 ? 132 PHE A CE2 1 ATOM 1020 C CZ . PHE A 1 134 ? -3.171 10.887 -3.200 1.00 38.77 ? 132 PHE A CZ 1 ATOM 1021 N N . LEU A 1 135 ? -9.069 10.400 -7.347 1.00 40.89 ? 133 LEU A N 1 ATOM 1022 C CA . LEU A 1 135 ? -10.052 10.479 -8.424 1.00 35.48 ? 133 LEU A CA 1 ATOM 1023 C C . LEU A 1 135 ? -11.400 10.913 -7.873 1.00 36.03 ? 133 LEU A C 1 ATOM 1024 O O . LEU A 1 135 ? -12.132 11.656 -8.516 1.00 41.06 ? 133 LEU A O 1 ATOM 1025 C CB . LEU A 1 135 ? -10.202 9.142 -9.159 1.00 31.78 ? 133 LEU A CB 1 ATOM 1026 C CG . LEU A 1 135 ? -9.109 8.642 -10.110 1.00 35.96 ? 133 LEU A CG 1 ATOM 1027 C CD1 . LEU A 1 135 ? -9.321 7.164 -10.411 1.00 38.56 ? 133 LEU A CD1 1 ATOM 1028 C CD2 . LEU A 1 135 ? -9.075 9.426 -11.407 1.00 37.03 ? 133 LEU A CD2 1 ATOM 1029 N N . ALA A 1 136 ? -11.721 10.461 -6.671 1.00 34.01 ? 134 ALA A N 1 ATOM 1030 C CA . ALA A 1 136 ? -12.986 10.837 -6.070 1.00 41.40 ? 134 ALA A CA 1 ATOM 1031 C C . ALA A 1 136 ? -12.977 12.334 -5.711 1.00 47.08 ? 134 ALA A C 1 ATOM 1032 O O . ALA A 1 136 ? -13.946 13.056 -5.951 1.00 42.73 ? 134 ALA A O 1 ATOM 1033 C CB . ALA A 1 136 ? -13.301 9.945 -4.845 1.00 31.30 ? 134 ALA A CB 1 ATOM 1034 N N . ARG A 1 137 ? -11.863 12.801 -5.165 1.00 41.99 ? 135 ARG A N 1 ATOM 1035 C CA . ARG A 1 137 ? -11.729 14.203 -4.802 1.00 38.86 ? 135 ARG A CA 1 ATOM 1036 C C . ARG A 1 137 ? -11.792 15.147 -6.006 1.00 45.05 ? 135 ARG A C 1 ATOM 1037 O O . ARG A 1 137 ? -12.508 16.150 -5.983 1.00 43.44 ? 135 ARG A O 1 ATOM 1038 C CB . ARG A 1 137 ? -10.412 14.423 -4.063 1.00 37.46 ? 135 ARG A CB 1 ATOM 1039 C CG . ARG A 1 137 ? -10.093 15.883 -3.781 1.00 39.48 ? 135 ARG A CG 1 ATOM 1040 C CD . ARG A 1 137 ? -11.035 16.477 -2.745 1.00 43.30 ? 135 ARG A CD 1 ATOM 1041 N NE . ARG A 1 137 ? -10.546 17.776 -2.296 1.00 58.19 ? 135 ARG A NE 1 ATOM 1042 C CZ . ARG A 1 137 ? -10.959 18.935 -2.796 1.00 63.49 ? 135 ARG A CZ 1 ATOM 1043 N NH1 . ARG A 1 137 ? -11.876 18.950 -3.755 1.00 69.64 ? 135 ARG A NH1 1 ATOM 1044 N NH2 . ARG A 1 137 ? -10.457 20.074 -2.342 1.00 59.86 ? 135 ARG A NH2 1 ATOM 1045 N N . VAL A 1 138 ? -11.036 14.815 -7.048 1.00 44.91 ? 136 VAL A N 1 ATOM 1046 C CA . VAL A 1 138 ? -10.782 15.729 -8.162 1.00 41.68 ? 136 VAL A CA 1 ATOM 1047 C C . VAL A 1 138 ? -11.861 15.697 -9.250 1.00 44.84 ? 136 VAL A C 1 ATOM 1048 O O . VAL A 1 138 ? -12.230 16.731 -9.786 1.00 50.82 ? 136 VAL A O 1 ATOM 1049 C CB . VAL A 1 138 ? -9.380 15.466 -8.770 1.00 49.00 ? 136 VAL A CB 1 ATOM 1050 C CG1 . VAL A 1 138 ? -9.169 16.255 -10.033 1.00 46.44 ? 136 VAL A CG1 1 ATOM 1051 C CG2 . VAL A 1 138 ? -8.296 15.791 -7.753 1.00 43.86 ? 136 VAL A CG2 1 ATOM 1052 N N . GLU A 1 139 ? -12.391 14.515 -9.551 1.00 49.01 ? 137 GLU A N 1 ATOM 1053 C CA . GLU A 1 139 ? -13.375 14.383 -10.622 1.00 39.27 ? 137 GLU A CA 1 ATOM 1054 C C . GLU A 1 139 ? -14.772 14.076 -10.123 1.00 45.52 ? 137 GLU A C 1 ATOM 1055 O O . GLU A 1 139 ? -15.719 13.991 -10.912 1.00 48.83 ? 137 GLU A O 1 ATOM 1056 C CB . GLU A 1 139 ? -12.923 13.328 -11.625 1.00 38.79 ? 137 GLU A CB 1 ATOM 1057 C CG . GLU A 1 139 ? -11.615 13.680 -12.299 1.00 36.79 ? 137 GLU A CG 1 ATOM 1058 C CD . GLU A 1 139 ? -11.699 14.950 -13.127 1.00 42.21 ? 137 GLU A CD 1 ATOM 1059 O OE1 . GLU A 1 139 ? -12.823 15.349 -13.522 1.00 50.62 ? 137 GLU A OE1 1 ATOM 1060 O OE2 . GLU A 1 139 ? -10.635 15.547 -13.385 1.00 41.59 ? 137 GLU A OE2 1 ATOM 1061 N N . ARG A 1 140 ? -14.889 13.936 -8.805 1.00 48.16 ? 138 ARG A N 1 ATOM 1062 C CA A ARG A 1 140 ? -16.158 13.618 -8.151 0.58 45.60 ? 138 ARG A CA 1 ATOM 1063 C CA B ARG A 1 140 ? -16.159 13.619 -8.158 0.42 45.45 ? 138 ARG A CA 1 ATOM 1064 C C . ARG A 1 140 ? -16.814 12.380 -8.772 1.00 42.26 ? 138 ARG A C 1 ATOM 1065 O O . ARG A 1 140 ? -18.018 12.353 -9.018 1.00 47.44 ? 138 ARG A O 1 ATOM 1066 C CB A ARG A 1 140 ? -17.121 14.821 -8.137 0.58 45.07 ? 138 ARG A CB 1 ATOM 1067 C CB B ARG A 1 140 ? -17.117 14.817 -8.188 0.42 45.05 ? 138 ARG A CB 1 ATOM 1068 C CG A ARG A 1 140 ? -16.565 16.103 -7.494 0.58 49.21 ? 138 ARG A CG 1 ATOM 1069 C CG B ARG A 1 140 ? -16.435 16.171 -8.029 0.42 48.74 ? 138 ARG A CG 1 ATOM 1070 C CD A ARG A 1 140 ? -17.332 16.524 -6.229 0.58 48.69 ? 138 ARG A CD 1 ATOM 1071 C CD B ARG A 1 140 ? -15.619 16.261 -6.752 0.42 49.57 ? 138 ARG A CD 1 ATOM 1072 N NE A ARG A 1 140 ? -18.781 16.494 -6.410 0.58 43.35 ? 138 ARG A NE 1 ATOM 1073 N NE B ARG A 1 140 ? -16.418 16.696 -5.610 0.42 51.19 ? 138 ARG A NE 1 ATOM 1074 C CZ A ARG A 1 140 ? -19.659 16.330 -5.422 0.58 38.82 ? 138 ARG A CZ 1 ATOM 1075 C CZ B ARG A 1 140 ? -15.913 16.958 -4.411 0.42 52.49 ? 138 ARG A CZ 1 ATOM 1076 N NH1 A ARG A 1 140 ? -19.256 16.185 -4.169 0.58 29.11 ? 138 ARG A NH1 1 ATOM 1077 N NH1 B ARG A 1 140 ? -14.609 16.826 -4.193 0.42 28.36 ? 138 ARG A NH1 1 ATOM 1078 N NH2 A ARG A 1 140 ? -20.950 16.301 -5.690 0.58 36.74 ? 138 ARG A NH2 1 ATOM 1079 N NH2 B ARG A 1 140 ? -16.712 17.351 -3.432 0.42 29.97 ? 138 ARG A NH2 1 ATOM 1080 N N . VAL A 1 141 ? -16.009 11.359 -9.032 1.00 35.68 ? 139 VAL A N 1 ATOM 1081 C CA . VAL A 1 141 ? -16.559 10.055 -9.397 1.00 43.88 ? 139 VAL A CA 1 ATOM 1082 C C . VAL A 1 141 ? -16.454 9.136 -8.188 1.00 43.23 ? 139 VAL A C 1 ATOM 1083 O O . VAL A 1 141 ? -15.685 9.389 -7.270 1.00 46.59 ? 139 VAL A O 1 ATOM 1084 C CB . VAL A 1 141 ? -15.812 9.402 -10.564 1.00 42.89 ? 139 VAL A CB 1 ATOM 1085 C CG1 . VAL A 1 141 ? -16.007 10.215 -11.842 1.00 39.22 ? 139 VAL A CG1 1 ATOM 1086 C CG2 . VAL A 1 141 ? -14.317 9.214 -10.221 1.00 37.43 ? 139 VAL A CG2 1 ATOM 1087 N N . ILE A 1 142 ? -17.234 8.071 -8.185 1.00 43.06 ? 140 ILE A N 1 ATOM 1088 C CA . ILE A 1 142 ? -17.118 7.067 -7.144 1.00 37.34 ? 140 ILE A CA 1 ATOM 1089 C C . ILE A 1 142 ? -16.127 6.031 -7.630 1.00 35.94 ? 140 ILE A C 1 ATOM 1090 O O . ILE A 1 142 ? -16.148 5.668 -8.793 1.00 40.12 ? 140 ILE A O 1 ATOM 1091 C CB . ILE A 1 142 ? -18.490 6.463 -6.816 1.00 36.92 ? 140 ILE A CB 1 ATOM 1092 C CG1 . ILE A 1 142 ? -19.254 7.422 -5.895 1.00 34.07 ? 140 ILE A CG1 1 ATOM 1093 C CG2 . ILE A 1 142 ? -18.349 5.116 -6.133 1.00 39.39 ? 140 ILE A CG2 1 ATOM 1094 C CD1 . ILE A 1 142 ? -20.724 7.131 -5.818 1.00 35.07 ? 140 ILE A CD1 1 ATOM 1095 N N . VAL A 1 143 ? -15.217 5.594 -6.767 1.00 37.98 ? 141 VAL A N 1 ATOM 1096 C CA . VAL A 1 143 ? -14.253 4.581 -7.174 1.00 35.47 ? 141 VAL A CA 1 ATOM 1097 C C . VAL A 1 143 ? -14.437 3.306 -6.378 1.00 40.83 ? 141 VAL A C 1 ATOM 1098 O O . VAL A 1 143 ? -14.468 3.325 -5.148 1.00 44.77 ? 141 VAL A O 1 ATOM 1099 C CB . VAL A 1 143 ? -12.785 5.022 -6.999 1.00 35.77 ? 141 VAL A CB 1 ATOM 1100 C CG1 . VAL A 1 143 ? -11.839 3.908 -7.520 1.00 23.71 ? 141 VAL A CG1 1 ATOM 1101 C CG2 . VAL A 1 143 ? -12.523 6.330 -7.705 1.00 33.78 ? 141 VAL A CG2 1 ATOM 1102 N N . VAL A 1 144 ? -14.540 2.195 -7.095 1.00 35.05 ? 142 VAL A N 1 ATOM 1103 C CA . VAL A 1 144 ? -14.608 0.892 -6.475 1.00 25.54 ? 142 VAL A CA 1 ATOM 1104 C C . VAL A 1 144 ? -13.448 -0.021 -6.940 1.00 35.24 ? 142 VAL A C 1 ATOM 1105 O O . VAL A 1 144 ? -13.071 -0.025 -8.121 1.00 33.65 ? 142 VAL A O 1 ATOM 1106 C CB . VAL A 1 144 ? -15.975 0.239 -6.773 1.00 31.22 ? 142 VAL A CB 1 ATOM 1107 C CG1 . VAL A 1 144 ? -16.120 -1.104 -6.034 1.00 31.39 ? 142 VAL A CG1 1 ATOM 1108 C CG2 . VAL A 1 144 ? -17.093 1.168 -6.372 1.00 27.28 ? 142 VAL A CG2 1 ATOM 1109 N N . SER A 1 145 ? -12.874 -0.783 -6.009 1.00 30.26 ? 143 SER A N 1 ATOM 1110 C CA . SER A 1 145 ? -11.916 -1.836 -6.359 1.00 25.99 ? 143 SER A CA 1 ATOM 1111 C C . SER A 1 145 ? -12.197 -3.084 -5.527 1.00 33.16 ? 143 SER A C 1 ATOM 1112 O O . SER A 1 145 ? -12.669 -2.984 -4.398 1.00 39.04 ? 143 SER A O 1 ATOM 1113 C CB . SER A 1 145 ? -10.473 -1.364 -6.169 1.00 25.27 ? 143 SER A CB 1 ATOM 1114 O OG . SER A 1 145 ? -10.194 -1.094 -4.807 1.00 39.38 ? 143 SER A OG 1 ATOM 1115 N N . MET A 1 146 ? -11.930 -4.261 -6.083 1.00 38.26 ? 144 MET A N 1 ATOM 1116 C CA . MET A 1 146 ? -12.226 -5.496 -5.355 1.00 42.34 ? 144 MET A CA 1 ATOM 1117 C C . MET A 1 146 ? -11.050 -6.446 -5.331 1.00 40.60 ? 144 MET A C 1 ATOM 1118 O O . MET A 1 146 ? -10.206 -6.436 -6.231 1.00 40.75 ? 144 MET A O 1 ATOM 1119 C CB . MET A 1 146 ? -13.433 -6.223 -5.958 1.00 37.15 ? 144 MET A CB 1 ATOM 1120 C CG . MET A 1 146 ? -13.097 -7.148 -7.134 1.00 33.88 ? 144 MET A CG 1 ATOM 1121 S SD . MET A 1 146 ? -12.467 -6.296 -8.605 1.00 36.74 ? 144 MET A SD 1 ATOM 1122 C CE . MET A 1 146 ? -13.994 -5.751 -9.374 1.00 23.17 ? 144 MET A CE 1 ATOM 1123 N N . ASN A 1 147 ? -10.997 -7.272 -4.297 1.00 34.23 ? 145 ASN A N 1 ATOM 1124 C CA . ASN A 1 147 ? -10.120 -8.440 -4.341 1.00 32.48 ? 145 ASN A CA 1 ATOM 1125 C C . ASN A 1 147 ? -10.794 -9.613 -5.028 1.00 28.92 ? 145 ASN A C 1 ATOM 1126 O O . ASN A 1 147 ? -11.955 -9.903 -4.785 1.00 30.86 ? 145 ASN A O 1 ATOM 1127 C CB . ASN A 1 147 ? -9.647 -8.838 -2.950 1.00 30.99 ? 145 ASN A CB 1 ATOM 1128 C CG . ASN A 1 147 ? -8.732 -7.803 -2.332 1.00 35.42 ? 145 ASN A CG 1 ATOM 1129 O OD1 . ASN A 1 147 ? -8.196 -6.929 -3.024 1.00 33.23 ? 145 ASN A OD1 1 ATOM 1130 N ND2 . ASN A 1 147 ? -8.536 -7.903 -1.024 1.00 38.75 ? 145 ASN A ND2 1 ATOM 1131 N N . TYR A 1 148 ? -10.068 -10.274 -5.916 1.00 36.70 ? 146 TYR A N 1 ATOM 1132 C CA . TYR A 1 148 ? -10.569 -11.488 -6.541 1.00 33.10 ? 146 TYR A CA 1 ATOM 1133 C C . TYR A 1 148 ? -9.523 -12.609 -6.409 1.00 33.67 ? 146 TYR A C 1 ATOM 1134 O O . TYR A 1 148 ? -8.321 -12.338 -6.436 1.00 34.98 ? 146 TYR A O 1 ATOM 1135 C CB . TYR A 1 148 ? -10.934 -11.205 -8.001 1.00 29.59 ? 146 TYR A CB 1 ATOM 1136 C CG . TYR A 1 148 ? -9.769 -10.835 -8.888 1.00 36.63 ? 146 TYR A CG 1 ATOM 1137 C CD1 . TYR A 1 148 ? -9.063 -11.814 -9.571 1.00 30.66 ? 146 TYR A CD1 1 ATOM 1138 C CD2 . TYR A 1 148 ? -9.380 -9.501 -9.056 1.00 38.26 ? 146 TYR A CD2 1 ATOM 1139 C CE1 . TYR A 1 148 ? -8.008 -11.492 -10.388 1.00 27.01 ? 146 TYR A CE1 1 ATOM 1140 C CE2 . TYR A 1 148 ? -8.320 -9.164 -9.888 1.00 29.05 ? 146 TYR A CE2 1 ATOM 1141 C CZ . TYR A 1 148 ? -7.635 -10.172 -10.560 1.00 31.69 ? 146 TYR A CZ 1 ATOM 1142 O OH . TYR A 1 148 ? -6.556 -9.885 -11.386 1.00 25.93 ? 146 TYR A OH 1 ATOM 1143 N N . ARG A 1 149 ? -9.968 -13.857 -6.250 1.00 30.81 ? 147 ARG A N 1 ATOM 1144 C CA . ARG A 1 149 ? -9.026 -14.981 -6.104 1.00 35.60 ? 147 ARG A CA 1 ATOM 1145 C C . ARG A 1 149 ? -8.068 -15.119 -7.297 1.00 35.12 ? 147 ARG A C 1 ATOM 1146 O O . ARG A 1 149 ? -8.485 -15.051 -8.453 1.00 35.90 ? 147 ARG A O 1 ATOM 1147 C CB . ARG A 1 149 ? -9.755 -16.311 -5.863 1.00 32.66 ? 147 ARG A CB 1 ATOM 1148 C CG . ARG A 1 149 ? -10.291 -16.534 -4.438 1.00 33.01 ? 147 ARG A CG 1 ATOM 1149 C CD . ARG A 1 149 ? -11.318 -17.680 -4.384 1.00 26.13 ? 147 ARG A CD 1 ATOM 1150 N NE . ARG A 1 149 ? -12.521 -17.335 -5.150 1.00 32.83 ? 147 ARG A NE 1 ATOM 1151 C CZ . ARG A 1 149 ? -13.534 -18.160 -5.402 1.00 39.43 ? 147 ARG A CZ 1 ATOM 1152 N NH1 . ARG A 1 149 ? -13.498 -19.412 -4.952 1.00 40.47 ? 147 ARG A NH1 1 ATOM 1153 N NH2 . ARG A 1 149 ? -14.578 -17.736 -6.113 1.00 32.04 ? 147 ARG A NH2 1 ATOM 1154 N N . VAL A 1 150 ? -6.782 -15.283 -7.001 1.00 34.27 ? 148 VAL A N 1 ATOM 1155 C CA . VAL A 1 150 ? -5.763 -15.525 -8.028 1.00 39.11 ? 148 VAL A CA 1 ATOM 1156 C C . VAL A 1 150 ? -5.100 -16.921 -7.925 1.00 43.99 ? 148 VAL A C 1 ATOM 1157 O O . VAL A 1 150 ? -5.306 -17.667 -6.955 1.00 40.64 ? 148 VAL A O 1 ATOM 1158 C CB . VAL A 1 150 ? -4.679 -14.439 -7.998 1.00 32.99 ? 148 VAL A CB 1 ATOM 1159 C CG1 . VAL A 1 150 ? -5.262 -13.102 -8.508 1.00 34.00 ? 148 VAL A CG1 1 ATOM 1160 C CG2 . VAL A 1 150 ? -4.112 -14.301 -6.605 1.00 22.59 ? 148 VAL A CG2 1 ATOM 1161 N N . GLY A 1 151 ? -4.313 -17.265 -8.937 1.00 36.07 ? 149 GLY A N 1 ATOM 1162 C CA . GLY A 1 151 ? -3.647 -18.554 -8.995 1.00 40.22 ? 149 GLY A CA 1 ATOM 1163 C C . GLY A 1 151 ? -4.594 -19.746 -9.033 1.00 44.40 ? 149 GLY A C 1 ATOM 1164 O O . GLY A 1 151 ? -5.749 -19.638 -9.463 1.00 45.49 ? 149 GLY A O 1 ATOM 1165 N N . ALA A 1 152 ? -4.102 -20.887 -8.562 1.00 34.17 ? 150 ALA A N 1 ATOM 1166 C CA . ALA A 1 152 ? -4.895 -22.113 -8.535 1.00 30.45 ? 150 ALA A CA 1 ATOM 1167 C C . ALA A 1 152 ? -6.206 -21.953 -7.760 1.00 36.29 ? 150 ALA A C 1 ATOM 1168 O O . ALA A 1 152 ? -7.244 -22.459 -8.184 1.00 45.48 ? 150 ALA A O 1 ATOM 1169 C CB . ALA A 1 152 ? -4.085 -23.246 -7.988 1.00 30.42 ? 150 ALA A CB 1 ATOM 1170 N N . LEU A 1 153 ? -6.166 -21.223 -6.650 1.00 33.36 ? 151 LEU A N 1 ATOM 1171 C CA . LEU A 1 153 ? -7.372 -20.956 -5.869 1.00 32.64 ? 151 LEU A CA 1 ATOM 1172 C C . LEU A 1 153 ? -8.395 -20.178 -6.674 1.00 39.98 ? 151 LEU A C 1 ATOM 1173 O O . LEU A 1 153 ? -9.592 -20.281 -6.419 1.00 52.73 ? 151 LEU A O 1 ATOM 1174 C CB . LEU A 1 153 ? -7.045 -20.224 -4.562 1.00 35.95 ? 151 LEU A CB 1 ATOM 1175 C CG . LEU A 1 153 ? -6.192 -21.026 -3.566 1.00 46.41 ? 151 LEU A CG 1 ATOM 1176 C CD1 . LEU A 1 153 ? -5.648 -20.135 -2.446 1.00 51.39 ? 151 LEU A CD1 1 ATOM 1177 C CD2 . LEU A 1 153 ? -6.987 -22.187 -2.984 1.00 46.08 ? 151 LEU A CD2 1 ATOM 1178 N N . GLY A 1 154 ? -7.920 -19.418 -7.659 1.00 42.77 ? 152 GLY A N 1 ATOM 1179 C CA . GLY A 1 154 ? -8.793 -18.603 -8.482 1.00 26.97 ? 152 GLY A CA 1 ATOM 1180 C C . GLY A 1 154 ? -9.165 -19.228 -9.812 1.00 36.19 ? 152 GLY A C 1 ATOM 1181 O O . GLY A 1 154 ? -10.249 -18.968 -10.349 1.00 39.95 ? 152 GLY A O 1 ATOM 1182 N N . PHE A 1 155 ? -8.281 -20.061 -10.353 1.00 36.38 ? 153 PHE A N 1 ATOM 1183 C CA . PHE A 1 155 ? -8.451 -20.505 -11.736 1.00 30.22 ? 153 PHE A CA 1 ATOM 1184 C C . PHE A 1 155 ? -8.168 -21.986 -11.980 1.00 35.01 ? 153 PHE A C 1 ATOM 1185 O O . PHE A 1 155 ? -7.985 -22.391 -13.123 1.00 37.16 ? 153 PHE A O 1 ATOM 1186 C CB . PHE A 1 155 ? -7.627 -19.620 -12.692 1.00 24.65 ? 153 PHE A CB 1 ATOM 1187 C CG . PHE A 1 155 ? -8.065 -18.189 -12.704 1.00 38.48 ? 153 PHE A CG 1 ATOM 1188 C CD1 . PHE A 1 155 ? -9.152 -17.789 -13.459 1.00 36.67 ? 153 PHE A CD1 1 ATOM 1189 C CD2 . PHE A 1 155 ? -7.415 -17.244 -11.932 1.00 42.49 ? 153 PHE A CD2 1 ATOM 1190 C CE1 . PHE A 1 155 ? -9.569 -16.468 -13.446 1.00 40.46 ? 153 PHE A CE1 1 ATOM 1191 C CE2 . PHE A 1 155 ? -7.833 -15.921 -11.923 1.00 38.39 ? 153 PHE A CE2 1 ATOM 1192 C CZ . PHE A 1 155 ? -8.905 -15.533 -12.675 1.00 36.07 ? 153 PHE A CZ 1 ATOM 1193 N N . LEU A 1 156 ? -8.124 -22.791 -10.921 1.00 37.32 ? 154 LEU A N 1 ATOM 1194 C CA . LEU A 1 156 ? -8.083 -24.234 -11.108 1.00 45.29 ? 154 LEU A CA 1 ATOM 1195 C C . LEU A 1 156 ? -9.301 -24.625 -11.930 1.00 48.44 ? 154 LEU A C 1 ATOM 1196 O O . LEU A 1 156 ? -10.411 -24.194 -11.630 1.00 44.80 ? 154 LEU A O 1 ATOM 1197 C CB . LEU A 1 156 ? -8.146 -24.961 -9.775 1.00 45.13 ? 154 LEU A CB 1 ATOM 1198 C CG . LEU A 1 156 ? -7.983 -26.473 -9.898 1.00 43.90 ? 154 LEU A CG 1 ATOM 1199 C CD1 . LEU A 1 156 ? -6.493 -26.841 -9.990 1.00 43.13 ? 154 LEU A CD1 1 ATOM 1200 C CD2 . LEU A 1 156 ? -8.667 -27.169 -8.730 1.00 44.47 ? 154 LEU A CD2 1 ATOM 1201 N N . ALA A 1 157 ? -9.102 -25.436 -12.962 1.00 46.62 ? 155 ALA A N 1 ATOM 1202 C CA . ALA A 1 157 ? -10.194 -25.741 -13.875 1.00 44.75 ? 155 ALA A CA 1 ATOM 1203 C C . ALA A 1 157 ? -10.391 -27.230 -14.195 1.00 45.31 ? 155 ALA A C 1 ATOM 1204 O O . ALA A 1 157 ? -9.464 -27.926 -14.624 1.00 44.42 ? 155 ALA A O 1 ATOM 1205 C CB . ALA A 1 157 ? -10.038 -24.940 -15.158 1.00 45.67 ? 155 ALA A CB 1 ATOM 1206 N N . LEU A 1 158 ? -11.615 -27.696 -13.960 1.00 46.26 ? 156 LEU A N 1 ATOM 1207 C CA . LEU A 1 158 ? -12.123 -28.956 -14.494 1.00 49.69 ? 156 LEU A CA 1 ATOM 1208 C C . LEU A 1 158 ? -13.488 -28.614 -15.054 1.00 47.40 ? 156 LEU A C 1 ATOM 1209 O O . LEU A 1 158 ? -14.492 -28.767 -14.381 1.00 53.37 ? 156 LEU A O 1 ATOM 1210 C CB . LEU A 1 158 ? -12.276 -30.006 -13.397 1.00 47.11 ? 156 LEU A CB 1 ATOM 1211 C CG . LEU A 1 158 ? -10.985 -30.493 -12.748 1.00 49.80 ? 156 LEU A CG 1 ATOM 1212 C CD1 . LEU A 1 158 ? -11.273 -31.433 -11.574 1.00 44.07 ? 156 LEU A CD1 1 ATOM 1213 C CD2 . LEU A 1 158 ? -10.123 -31.173 -13.791 1.00 52.47 ? 156 LEU A CD2 1 ATOM 1214 N N . PRO A 1 159 ? -13.530 -28.118 -16.287 1.00 48.90 ? 157 PRO A N 1 ATOM 1215 C CA . PRO A 1 159 ? -14.786 -27.518 -16.745 1.00 51.54 ? 157 PRO A CA 1 ATOM 1216 C C . PRO A 1 159 ? -15.942 -28.501 -16.873 1.00 51.78 ? 157 PRO A C 1 ATOM 1217 O O . PRO A 1 159 ? -15.770 -29.636 -17.337 1.00 54.51 ? 157 PRO A O 1 ATOM 1218 C CB . PRO A 1 159 ? -14.400 -26.916 -18.092 1.00 51.71 ? 157 PRO A CB 1 ATOM 1219 C CG . PRO A 1 159 ? -12.941 -26.602 -17.917 1.00 55.10 ? 157 PRO A CG 1 ATOM 1220 C CD . PRO A 1 159 ? -12.421 -27.821 -17.203 1.00 49.51 ? 157 PRO A CD 1 ATOM 1221 N N . GLY A 1 160 ? -17.115 -28.046 -16.445 1.00 46.64 ? 158 GLY A N 1 ATOM 1222 C CA . GLY A 1 160 ? -18.298 -28.882 -16.401 1.00 49.97 ? 158 GLY A CA 1 ATOM 1223 C C . GLY A 1 160 ? -18.546 -29.329 -14.974 1.00 58.02 ? 158 GLY A C 1 ATOM 1224 O O . GLY A 1 160 ? -19.662 -29.689 -14.610 1.00 67.86 ? 158 GLY A O 1 ATOM 1225 N N . ASN A 1 161 ? -17.491 -29.291 -14.166 1.00 55.06 ? 159 ASN A N 1 ATOM 1226 C CA . ASN A 1 161 ? -17.541 -29.698 -12.762 1.00 54.75 ? 159 ASN A CA 1 ATOM 1227 C C . ASN A 1 161 ? -17.705 -28.482 -11.844 1.00 48.17 ? 159 ASN A C 1 ATOM 1228 O O . ASN A 1 161 ? -16.817 -27.636 -11.758 1.00 48.57 ? 159 ASN A O 1 ATOM 1229 C CB . ASN A 1 161 ? -16.254 -30.462 -12.420 1.00 52.43 ? 159 ASN A CB 1 ATOM 1230 C CG . ASN A 1 161 ? -16.361 -31.287 -11.148 1.00 51.92 ? 159 ASN A CG 1 ATOM 1231 O OD1 . ASN A 1 161 ? -16.996 -30.896 -10.168 1.00 50.53 ? 159 ASN A OD1 1 ATOM 1232 N ND2 . ASN A 1 161 ? -15.706 -32.433 -11.157 1.00 53.48 ? 159 ASN A ND2 1 ATOM 1233 N N . PRO A 1 162 ? -18.843 -28.393 -11.142 1.00 50.85 ? 160 PRO A N 1 ATOM 1234 C CA . PRO A 1 162 ? -19.144 -27.208 -10.326 1.00 46.31 ? 160 PRO A CA 1 ATOM 1235 C C . PRO A 1 162 ? -18.272 -27.110 -9.077 1.00 51.76 ? 160 PRO A C 1 ATOM 1236 O O . PRO A 1 162 ? -18.327 -26.103 -8.376 1.00 55.79 ? 160 PRO A O 1 ATOM 1237 C CB . PRO A 1 162 ? -20.612 -27.414 -9.919 1.00 50.85 ? 160 PRO A CB 1 ATOM 1238 C CG . PRO A 1 162 ? -21.096 -28.619 -10.689 1.00 52.43 ? 160 PRO A CG 1 ATOM 1239 C CD . PRO A 1 162 ? -19.885 -29.423 -11.021 1.00 54.11 ? 160 PRO A CD 1 ATOM 1240 N N . GLU A 1 163 ? -17.494 -28.150 -8.793 1.00 56.00 ? 161 GLU A N 1 ATOM 1241 C CA . GLU A 1 163 ? -16.603 -28.138 -7.643 1.00 60.03 ? 161 GLU A CA 1 ATOM 1242 C C . GLU A 1 163 ? -15.342 -27.328 -7.932 1.00 55.97 ? 161 GLU A C 1 ATOM 1243 O O . GLU A 1 163 ? -14.715 -26.800 -7.015 1.00 64.83 ? 161 GLU A O 1 ATOM 1244 C CB . GLU A 1 163 ? -16.240 -29.567 -7.211 1.00 70.31 ? 161 GLU A CB 1 ATOM 1245 C CG . GLU A 1 163 ? -17.430 -30.454 -6.823 1.00 72.45 ? 161 GLU A CG 1 ATOM 1246 C CD . GLU A 1 163 ? -18.316 -29.853 -5.733 1.00 75.95 ? 161 GLU A CD 1 ATOM 1247 O OE1 . GLU A 1 163 ? -17.825 -29.049 -4.910 1.00 71.42 ? 161 GLU A OE1 1 ATOM 1248 O OE2 . GLU A 1 163 ? -19.521 -30.186 -5.705 1.00 81.72 ? 161 GLU A OE2 1 ATOM 1249 N N . ALA A 1 164 ? -14.977 -27.239 -9.208 1.00 48.65 ? 162 ALA A N 1 ATOM 1250 C CA . ALA A 1 164 ? -13.819 -26.450 -9.642 1.00 49.44 ? 162 ALA A CA 1 ATOM 1251 C C . ALA A 1 164 ? -13.897 -26.143 -11.133 1.00 45.75 ? 162 ALA A C 1 ATOM 1252 O O . ALA A 1 164 ? -13.090 -26.643 -11.915 1.00 41.14 ? 162 ALA A O 1 ATOM 1253 C CB . ALA A 1 164 ? -12.529 -27.185 -9.329 1.00 50.73 ? 162 ALA A CB 1 ATOM 1254 N N . PRO A 1 165 ? -14.867 -25.305 -11.526 1.00 48.61 ? 163 PRO A N 1 ATOM 1255 C CA . PRO A 1 165 ? -15.256 -25.141 -12.931 1.00 40.49 ? 163 PRO A CA 1 ATOM 1256 C C . PRO A 1 165 ? -14.333 -24.287 -13.801 1.00 37.73 ? 163 PRO A C 1 ATOM 1257 O O . PRO A 1 165 ? -14.526 -24.293 -15.015 1.00 36.26 ? 163 PRO A O 1 ATOM 1258 C CB . PRO A 1 165 ? -16.628 -24.477 -12.822 1.00 37.33 ? 163 PRO A CB 1 ATOM 1259 C CG . PRO A 1 165 ? -16.571 -23.719 -11.553 1.00 38.38 ? 163 PRO A CG 1 ATOM 1260 C CD . PRO A 1 165 ? -15.746 -24.542 -10.620 1.00 46.77 ? 163 PRO A CD 1 ATOM 1261 N N . GLY A 1 166 ? -13.363 -23.592 -13.208 1.00 36.51 ? 164 GLY A N 1 ATOM 1262 C CA . GLY A 1 166 ? -12.535 -22.638 -13.938 1.00 31.36 ? 164 GLY A CA 1 ATOM 1263 C C . GLY A 1 166 ? -13.069 -21.215 -13.800 1.00 36.50 ? 164 GLY A C 1 ATOM 1264 O O . GLY A 1 166 ? -14.248 -21.023 -13.484 1.00 35.75 ? 164 GLY A O 1 ATOM 1265 N N . ASN A 1 167 ? -12.208 -20.219 -14.018 1.00 31.74 ? 165 ASN A N 1 ATOM 1266 C CA . ASN A 1 167 ? -12.623 -18.810 -14.011 1.00 31.02 ? 165 ASN A CA 1 ATOM 1267 C C . ASN A 1 167 ? -13.315 -18.305 -12.733 1.00 35.85 ? 165 ASN A C 1 ATOM 1268 O O . ASN A 1 167 ? -14.094 -17.349 -12.791 1.00 40.28 ? 165 ASN A O 1 ATOM 1269 C CB . ASN A 1 167 ? -13.527 -18.512 -15.221 1.00 30.20 ? 165 ASN A CB 1 ATOM 1270 C CG . ASN A 1 167 ? -12.822 -18.736 -16.541 1.00 36.06 ? 165 ASN A CG 1 ATOM 1271 O OD1 . ASN A 1 167 ? -11.595 -18.686 -16.613 1.00 41.56 ? 165 ASN A OD1 1 ATOM 1272 N ND2 . ASN A 1 167 ? -13.590 -18.980 -17.594 1.00 34.86 ? 165 ASN A ND2 1 ATOM 1273 N N . MET A 1 168 ? -13.037 -18.925 -11.589 1.00 25.49 ? 166 MET A N 1 ATOM 1274 C CA . MET A 1 168 ? -13.664 -18.489 -10.346 1.00 30.91 ? 166 MET A CA 1 ATOM 1275 C C . MET A 1 168 ? -13.335 -17.030 -10.016 1.00 38.50 ? 166 MET A C 1 ATOM 1276 O O . MET A 1 168 ? -14.218 -16.264 -9.619 1.00 30.80 ? 166 MET A O 1 ATOM 1277 C CB . MET A 1 168 ? -13.297 -19.418 -9.183 1.00 25.17 ? 166 MET A CB 1 ATOM 1278 C CG . MET A 1 168 ? -13.789 -20.844 -9.405 1.00 35.55 ? 166 MET A CG 1 ATOM 1279 S SD . MET A 1 168 ? -12.674 -21.810 -10.438 1.00 44.36 ? 166 MET A SD 1 ATOM 1280 C CE . MET A 1 168 ? -11.401 -22.196 -9.228 1.00 27.42 ? 166 MET A CE 1 ATOM 1281 N N . GLY A 1 169 ? -12.063 -16.666 -10.187 1.00 35.29 ? 167 GLY A N 1 ATOM 1282 C CA . GLY A 1 169 ? -11.604 -15.306 -9.994 1.00 36.62 ? 167 GLY A CA 1 ATOM 1283 C C . GLY A 1 169 ? -12.364 -14.289 -10.836 1.00 39.50 ? 167 GLY A C 1 ATOM 1284 O O . GLY A 1 169 ? -12.686 -13.212 -10.348 1.00 40.18 ? 167 GLY A O 1 ATOM 1285 N N . LEU A 1 170 ? -12.637 -14.619 -12.097 1.00 34.29 ? 168 LEU A N 1 ATOM 1286 C CA . LEU A 1 170 ? -13.448 -13.752 -12.963 1.00 31.80 ? 168 LEU A CA 1 ATOM 1287 C C . LEU A 1 170 ? -14.859 -13.619 -12.395 1.00 31.28 ? 168 LEU A C 1 ATOM 1288 O O . LEU A 1 170 ? -15.438 -12.536 -12.374 1.00 38.35 ? 168 LEU A O 1 ATOM 1289 C CB . LEU A 1 170 ? -13.500 -14.293 -14.413 1.00 26.17 ? 168 LEU A CB 1 ATOM 1290 C CG . LEU A 1 170 ? -12.146 -14.164 -15.119 1.00 37.32 ? 168 LEU A CG 1 ATOM 1291 C CD1 . LEU A 1 170 ? -12.072 -14.954 -16.415 1.00 39.17 ? 168 LEU A CD1 1 ATOM 1292 C CD2 . LEU A 1 170 ? -11.827 -12.681 -15.364 1.00 28.60 ? 168 LEU A CD2 1 ATOM 1293 N N . PHE A 1 171 ? -15.410 -14.731 -11.927 1.00 31.24 ? 169 PHE A N 1 ATOM 1294 C CA . PHE A 1 171 ? -16.719 -14.708 -11.301 1.00 32.58 ? 169 PHE A CA 1 ATOM 1295 C C . PHE A 1 171 ? -16.727 -13.918 -9.989 1.00 37.08 ? 169 PHE A C 1 ATOM 1296 O O . PHE A 1 171 ? -17.788 -13.465 -9.556 1.00 40.53 ? 169 PHE A O 1 ATOM 1297 C CB . PHE A 1 171 ? -17.211 -16.121 -11.064 1.00 41.24 ? 169 PHE A CB 1 ATOM 1298 C CG . PHE A 1 171 ? -17.842 -16.748 -12.266 1.00 47.97 ? 169 PHE A CG 1 ATOM 1299 C CD1 . PHE A 1 171 ? -19.003 -16.211 -12.810 1.00 47.88 ? 169 PHE A CD1 1 ATOM 1300 C CD2 . PHE A 1 171 ? -17.296 -17.887 -12.836 1.00 37.25 ? 169 PHE A CD2 1 ATOM 1301 C CE1 . PHE A 1 171 ? -19.599 -16.793 -13.900 1.00 43.56 ? 169 PHE A CE1 1 ATOM 1302 C CE2 . PHE A 1 171 ? -17.890 -18.467 -13.929 1.00 38.32 ? 169 PHE A CE2 1 ATOM 1303 C CZ . PHE A 1 171 ? -19.041 -17.926 -14.460 1.00 40.96 ? 169 PHE A CZ 1 ATOM 1304 N N . ASP A 1 172 ? -15.555 -13.765 -9.364 1.00 26.53 ? 170 ASP A N 1 ATOM 1305 C CA . ASP A 1 172 ? -15.429 -12.930 -8.167 1.00 33.35 ? 170 ASP A CA 1 ATOM 1306 C C . ASP A 1 172 ? -15.595 -11.482 -8.598 1.00 36.29 ? 170 ASP A C 1 ATOM 1307 O O . ASP A 1 172 ? -16.366 -10.719 -7.995 1.00 34.44 ? 170 ASP A O 1 ATOM 1308 C CB . ASP A 1 172 ? -14.077 -13.109 -7.448 1.00 25.89 ? 170 ASP A CB 1 ATOM 1309 C CG . ASP A 1 172 ? -13.915 -14.502 -6.793 1.00 44.86 ? 170 ASP A CG 1 ATOM 1310 O OD1 . ASP A 1 172 ? -14.936 -15.199 -6.541 1.00 42.82 ? 170 ASP A OD1 1 ATOM 1311 O OD2 . ASP A 1 172 ? -12.750 -14.886 -6.518 1.00 41.33 ? 170 ASP A OD2 1 ATOM 1312 N N . GLN A 1 173 ? -14.868 -11.113 -9.648 1.00 24.84 ? 171 GLN A N 1 ATOM 1313 C CA . GLN A 1 173 ? -14.996 -9.782 -10.222 1.00 30.56 ? 171 GLN A CA 1 ATOM 1314 C C . GLN A 1 173 ? -16.468 -9.497 -10.541 1.00 37.68 ? 171 GLN A C 1 ATOM 1315 O O . GLN A 1 173 ? -17.006 -8.447 -10.178 1.00 34.66 ? 171 GLN A O 1 ATOM 1316 C CB . GLN A 1 173 ? -14.128 -9.673 -11.469 1.00 28.00 ? 171 GLN A CB 1 ATOM 1317 C CG . GLN A 1 173 ? -12.632 -9.797 -11.180 1.00 28.57 ? 171 GLN A CG 1 ATOM 1318 C CD . GLN A 1 173 ? -11.806 -9.855 -12.439 1.00 28.99 ? 171 GLN A CD 1 ATOM 1319 O OE1 . GLN A 1 173 ? -12.309 -9.591 -13.534 1.00 32.25 ? 171 GLN A OE1 1 ATOM 1320 N NE2 . GLN A 1 173 ? -10.528 -10.209 -12.299 1.00 24.37 ? 171 GLN A NE2 1 ATOM 1321 N N . GLN A 1 174 ? -17.125 -10.476 -11.158 1.00 33.03 ? 172 GLN A N 1 ATOM 1322 C CA . GLN A 1 174 ? -18.502 -10.317 -11.601 1.00 36.38 ? 172 GLN A CA 1 ATOM 1323 C C . GLN A 1 174 ? -19.454 -10.088 -10.439 1.00 36.60 ? 172 GLN A C 1 ATOM 1324 O O . GLN A 1 174 ? -20.321 -9.227 -10.505 1.00 47.15 ? 172 GLN A O 1 ATOM 1325 C CB . GLN A 1 174 ? -18.955 -11.533 -12.416 1.00 30.68 ? 172 GLN A CB 1 ATOM 1326 C CG . GLN A 1 174 ? -20.134 -11.252 -13.296 1.00 29.31 ? 172 GLN A CG 1 ATOM 1327 C CD . GLN A 1 174 ? -20.613 -12.472 -14.049 1.00 39.46 ? 172 GLN A CD 1 ATOM 1328 O OE1 . GLN A 1 174 ? -21.231 -13.355 -13.467 1.00 43.31 ? 172 GLN A OE1 1 ATOM 1329 N NE2 . GLN A 1 174 ? -20.333 -12.528 -15.352 1.00 41.93 ? 172 GLN A NE2 1 ATOM 1330 N N . LEU A 1 175 ? -19.294 -10.869 -9.379 1.00 33.71 ? 173 LEU A N 1 ATOM 1331 C CA . LEU A 1 175 ? -20.153 -10.747 -8.213 1.00 30.93 ? 173 LEU A CA 1 ATOM 1332 C C . LEU A 1 175 ? -20.008 -9.357 -7.572 1.00 37.54 ? 173 LEU A C 1 ATOM 1333 O O . LEU A 1 175 ? -20.985 -8.762 -7.130 1.00 36.22 ? 173 LEU A O 1 ATOM 1334 C CB . LEU A 1 175 ? -19.829 -11.833 -7.202 1.00 23.31 ? 173 LEU A CB 1 ATOM 1335 C CG . LEU A 1 175 ? -20.794 -11.930 -6.023 1.00 36.26 ? 173 LEU A CG 1 ATOM 1336 C CD1 . LEU A 1 175 ? -22.237 -11.988 -6.509 1.00 38.12 ? 173 LEU A CD1 1 ATOM 1337 C CD2 . LEU A 1 175 ? -20.473 -13.154 -5.200 1.00 32.57 ? 173 LEU A CD2 1 ATOM 1338 N N . ALA A 1 176 ? -18.784 -8.842 -7.546 1.00 30.27 ? 174 ALA A N 1 ATOM 1339 C CA . ALA A 1 176 ? -18.539 -7.506 -7.057 1.00 31.87 ? 174 ALA A CA 1 ATOM 1340 C C . ALA A 1 176 ? -19.240 -6.463 -7.945 1.00 41.72 ? 174 ALA A C 1 ATOM 1341 O O . ALA A 1 176 ? -19.804 -5.500 -7.429 1.00 49.13 ? 174 ALA A O 1 ATOM 1342 C CB . ALA A 1 176 ? -17.050 -7.240 -6.958 1.00 29.04 ? 174 ALA A CB 1 ATOM 1343 N N . LEU A 1 177 ? -19.221 -6.659 -9.265 1.00 34.15 ? 175 LEU A N 1 ATOM 1344 C CA . LEU A 1 177 ? -19.943 -5.762 -10.170 1.00 35.38 ? 175 LEU A CA 1 ATOM 1345 C C . LEU A 1 177 ? -21.424 -5.780 -9.837 1.00 40.28 ? 175 LEU A C 1 ATOM 1346 O O . LEU A 1 177 ? -22.082 -4.740 -9.769 1.00 46.09 ? 175 LEU A O 1 ATOM 1347 C CB . LEU A 1 177 ? -19.759 -6.150 -11.642 1.00 28.40 ? 175 LEU A CB 1 ATOM 1348 C CG . LEU A 1 177 ? -18.335 -6.224 -12.199 1.00 28.43 ? 175 LEU A CG 1 ATOM 1349 C CD1 . LEU A 1 177 ? -18.315 -6.358 -13.729 1.00 25.59 ? 175 LEU A CD1 1 ATOM 1350 C CD2 . LEU A 1 177 ? -17.525 -5.057 -11.761 1.00 26.13 ? 175 LEU A CD2 1 ATOM 1351 N N . GLN A 1 178 ? -21.931 -6.984 -9.621 1.00 38.70 ? 176 GLN A N 1 ATOM 1352 C CA . GLN A 1 178 ? -23.309 -7.196 -9.226 1.00 38.79 ? 176 GLN A CA 1 ATOM 1353 C C . GLN A 1 178 ? -23.625 -6.453 -7.903 1.00 38.52 ? 176 GLN A C 1 ATOM 1354 O O . GLN A 1 178 ? -24.675 -5.819 -7.770 1.00 35.93 ? 176 GLN A O 1 ATOM 1355 C CB . GLN A 1 178 ? -23.560 -8.705 -9.138 1.00 34.91 ? 176 GLN A CB 1 ATOM 1356 C CG . GLN A 1 178 ? -24.913 -9.112 -8.631 1.00 60.40 ? 176 GLN A CG 1 ATOM 1357 C CD . GLN A 1 178 ? -25.972 -9.081 -9.711 1.00 78.89 ? 176 GLN A CD 1 ATOM 1358 O OE1 . GLN A 1 178 ? -26.317 -8.017 -10.233 1.00 78.64 ? 176 GLN A OE1 1 ATOM 1359 N NE2 . GLN A 1 178 ? -26.500 -10.255 -10.052 1.00 84.38 ? 176 GLN A NE2 1 ATOM 1360 N N . TRP A 1 179 ? -22.701 -6.509 -6.946 1.00 38.55 ? 177 TRP A N 1 ATOM 1361 C CA . TRP A 1 179 ? -22.847 -5.799 -5.670 1.00 40.41 ? 177 TRP A CA 1 ATOM 1362 C C . TRP A 1 179 ? -22.963 -4.291 -5.882 1.00 42.26 ? 177 TRP A C 1 ATOM 1363 O O . TRP A 1 179 ? -23.704 -3.600 -5.171 1.00 42.05 ? 177 TRP A O 1 ATOM 1364 C CB . TRP A 1 179 ? -21.664 -6.093 -4.734 1.00 35.05 ? 177 TRP A CB 1 ATOM 1365 C CG . TRP A 1 179 ? -21.848 -5.545 -3.319 1.00 40.31 ? 177 TRP A CG 1 ATOM 1366 C CD1 . TRP A 1 179 ? -22.409 -6.192 -2.252 1.00 40.51 ? 177 TRP A CD1 1 ATOM 1367 C CD2 . TRP A 1 179 ? -21.470 -4.243 -2.840 1.00 41.57 ? 177 TRP A CD2 1 ATOM 1368 N NE1 . TRP A 1 179 ? -22.407 -5.378 -1.145 1.00 46.51 ? 177 TRP A NE1 1 ATOM 1369 C CE2 . TRP A 1 179 ? -21.839 -4.177 -1.479 1.00 46.14 ? 177 TRP A CE2 1 ATOM 1370 C CE3 . TRP A 1 179 ? -20.873 -3.124 -3.435 1.00 37.16 ? 177 TRP A CE3 1 ATOM 1371 C CZ2 . TRP A 1 179 ? -21.614 -3.044 -0.701 1.00 46.50 ? 177 TRP A CZ2 1 ATOM 1372 C CZ3 . TRP A 1 179 ? -20.648 -2.008 -2.667 1.00 41.30 ? 177 TRP A CZ3 1 ATOM 1373 C CH2 . TRP A 1 179 ? -21.017 -1.972 -1.312 1.00 49.39 ? 177 TRP A CH2 1 ATOM 1374 N N . VAL A 1 180 ? -22.230 -3.791 -6.871 1.00 35.87 ? 178 VAL A N 1 ATOM 1375 C CA . VAL A 1 180 ? -22.257 -2.372 -7.190 1.00 36.31 ? 178 VAL A CA 1 ATOM 1376 C C . VAL A 1 180 ? -23.615 -1.982 -7.763 1.00 43.33 ? 178 VAL A C 1 ATOM 1377 O O . VAL A 1 180 ? -24.184 -0.956 -7.382 1.00 52.14 ? 178 VAL A O 1 ATOM 1378 C CB . VAL A 1 180 ? -21.131 -1.999 -8.161 1.00 30.57 ? 178 VAL A CB 1 ATOM 1379 C CG1 . VAL A 1 180 ? -21.361 -0.612 -8.730 1.00 28.09 ? 178 VAL A CG1 1 ATOM 1380 C CG2 . VAL A 1 180 ? -19.778 -2.087 -7.452 1.00 24.33 ? 178 VAL A CG2 1 ATOM 1381 N N . GLN A 1 181 ? -24.123 -2.812 -8.671 1.00 38.03 ? 179 GLN A N 1 ATOM 1382 C CA . GLN A 1 181 ? -25.453 -2.631 -9.238 1.00 41.59 ? 179 GLN A CA 1 ATOM 1383 C C . GLN A 1 181 ? -26.488 -2.597 -8.145 1.00 43.52 ? 179 GLN A C 1 ATOM 1384 O O . GLN A 1 181 ? -27.384 -1.753 -8.158 1.00 48.48 ? 179 GLN A O 1 ATOM 1385 C CB . GLN A 1 181 ? -25.803 -3.754 -10.222 1.00 41.78 ? 179 GLN A CB 1 ATOM 1386 C CG . GLN A 1 181 ? -25.043 -3.669 -11.520 1.00 33.76 ? 179 GLN A CG 1 ATOM 1387 C CD . GLN A 1 181 ? -25.289 -2.351 -12.235 1.00 37.41 ? 179 GLN A CD 1 ATOM 1388 O OE1 . GLN A 1 181 ? -26.410 -2.061 -12.659 1.00 47.65 ? 179 GLN A OE1 1 ATOM 1389 N NE2 . GLN A 1 181 ? -24.245 -1.541 -12.358 1.00 27.41 ? 179 GLN A NE2 1 ATOM 1390 N N . LYS A 1 182 ? -26.366 -3.516 -7.194 1.00 43.24 ? 180 LYS A N 1 ATOM 1391 C CA . LYS A 1 182 ? -27.335 -3.589 -6.114 1.00 40.94 ? 180 LYS A CA 1 ATOM 1392 C C . LYS A 1 182 ? -27.208 -2.448 -5.102 1.00 41.20 ? 180 LYS A C 1 ATOM 1393 O O . LYS A 1 182 ? -28.213 -1.992 -4.552 1.00 38.53 ? 180 LYS A O 1 ATOM 1394 C CB . LYS A 1 182 ? -27.258 -4.941 -5.414 1.00 47.14 ? 180 LYS A CB 1 ATOM 1395 C CG . LYS A 1 182 ? -28.250 -5.945 -5.959 1.00 46.70 ? 180 LYS A CG 1 ATOM 1396 C CD . LYS A 1 182 ? -27.598 -7.284 -6.229 1.00 52.53 ? 180 LYS A CD 1 ATOM 1397 C CE . LYS A 1 182 ? -28.650 -8.381 -6.403 1.00 61.14 ? 180 LYS A CE 1 ATOM 1398 N NZ . LYS A 1 182 ? -28.021 -9.695 -6.718 1.00 67.75 ? 180 LYS A NZ 1 ATOM 1399 N N . ASN A 1 183 ? -25.989 -1.962 -4.882 1.00 44.82 ? 181 ASN A N 1 ATOM 1400 C CA . ASN A 1 183 ? -25.747 -1.109 -3.726 1.00 38.56 ? 181 ASN A CA 1 ATOM 1401 C C . ASN A 1 183 ? -25.213 0.290 -3.946 1.00 40.37 ? 181 ASN A C 1 ATOM 1402 O O . ASN A 1 183 ? -25.393 1.143 -3.079 1.00 46.10 ? 181 ASN A O 1 ATOM 1403 C CB . ASN A 1 183 ? -24.865 -1.842 -2.710 1.00 34.26 ? 181 ASN A CB 1 ATOM 1404 C CG . ASN A 1 183 ? -25.557 -3.054 -2.129 1.00 40.26 ? 181 ASN A CG 1 ATOM 1405 O OD1 . ASN A 1 183 ? -26.475 -2.920 -1.328 1.00 50.86 ? 181 ASN A OD1 1 ATOM 1406 N ND2 . ASN A 1 183 ? -25.142 -4.243 -2.553 1.00 34.73 ? 181 ASN A ND2 1 ATOM 1407 N N . ILE A 1 184 ? -24.554 0.534 -5.077 1.00 42.01 ? 182 ILE A N 1 ATOM 1408 C CA . ILE A 1 184 ? -23.830 1.795 -5.254 1.00 38.30 ? 182 ILE A CA 1 ATOM 1409 C C . ILE A 1 184 ? -24.717 3.045 -5.084 1.00 40.02 ? 182 ILE A C 1 ATOM 1410 O O . ILE A 1 184 ? -24.248 4.065 -4.574 1.00 34.93 ? 182 ILE A O 1 ATOM 1411 C CB . ILE A 1 184 ? -23.021 1.841 -6.570 1.00 40.28 ? 182 ILE A CB 1 ATOM 1412 C CG1 . ILE A 1 184 ? -21.738 2.659 -6.374 1.00 37.31 ? 182 ILE A CG1 1 ATOM 1413 C CG2 . ILE A 1 184 ? -23.848 2.390 -7.711 1.00 43.54 ? 182 ILE A CG2 1 ATOM 1414 C CD1 . ILE A 1 184 ? -20.866 2.155 -5.224 1.00 29.30 ? 182 ILE A CD1 1 ATOM 1415 N N . ALA A 1 185 ? -25.995 2.941 -5.458 1.00 34.68 ? 183 ALA A N 1 ATOM 1416 C CA . ALA A 1 185 ? -26.947 4.036 -5.280 1.00 43.48 ? 183 ALA A CA 1 ATOM 1417 C C . ALA A 1 185 ? -27.046 4.500 -3.830 1.00 47.98 ? 183 ALA A C 1 ATOM 1418 O O . ALA A 1 185 ? -27.268 5.683 -3.571 1.00 54.16 ? 183 ALA A O 1 ATOM 1419 C CB . ALA A 1 185 ? -28.341 3.661 -5.814 1.00 38.89 ? 183 ALA A CB 1 ATOM 1420 N N . ALA A 1 186 ? -26.881 3.579 -2.884 1.00 39.93 ? 184 ALA A N 1 ATOM 1421 C CA . ALA A 1 186 ? -26.962 3.956 -1.475 1.00 38.51 ? 184 ALA A CA 1 ATOM 1422 C C . ALA A 1 186 ? -25.758 4.813 -1.085 1.00 43.05 ? 184 ALA A C 1 ATOM 1423 O O . ALA A 1 186 ? -25.806 5.551 -0.109 1.00 55.80 ? 184 ALA A O 1 ATOM 1424 C CB . ALA A 1 186 ? -27.097 2.729 -0.575 1.00 29.07 ? 184 ALA A CB 1 ATOM 1425 N N . PHE A 1 187 ? -24.692 4.709 -1.878 1.00 42.12 ? 185 PHE A N 1 ATOM 1426 C CA . PHE A 1 187 ? -23.495 5.536 -1.741 1.00 31.30 ? 185 PHE A CA 1 ATOM 1427 C C . PHE A 1 187 ? -23.549 6.806 -2.620 1.00 40.76 ? 185 PHE A C 1 ATOM 1428 O O . PHE A 1 187 ? -22.577 7.567 -2.681 1.00 35.46 ? 185 PHE A O 1 ATOM 1429 C CB . PHE A 1 187 ? -22.237 4.707 -2.088 1.00 31.82 ? 185 PHE A CB 1 ATOM 1430 C CG . PHE A 1 187 ? -21.975 3.571 -1.127 1.00 40.91 ? 185 PHE A CG 1 ATOM 1431 C CD1 . PHE A 1 187 ? -22.642 2.354 -1.264 1.00 32.39 ? 185 PHE A CD1 1 ATOM 1432 C CD2 . PHE A 1 187 ? -21.087 3.729 -0.069 1.00 40.03 ? 185 PHE A CD2 1 ATOM 1433 C CE1 . PHE A 1 187 ? -22.423 1.328 -0.380 1.00 34.26 ? 185 PHE A CE1 1 ATOM 1434 C CE2 . PHE A 1 187 ? -20.866 2.699 0.818 1.00 43.57 ? 185 PHE A CE2 1 ATOM 1435 C CZ . PHE A 1 187 ? -21.535 1.494 0.661 1.00 39.55 ? 185 PHE A CZ 1 ATOM 1436 N N . GLY A 1 188 ? -24.671 7.014 -3.313 1.00 39.46 ? 186 GLY A N 1 ATOM 1437 C CA . GLY A 1 188 ? -24.818 8.141 -4.216 1.00 37.15 ? 186 GLY A CA 1 ATOM 1438 C C . GLY A 1 188 ? -24.304 7.871 -5.620 1.00 50.10 ? 186 GLY A C 1 ATOM 1439 O O . GLY A 1 188 ? -24.016 8.807 -6.378 1.00 50.31 ? 186 GLY A O 1 ATOM 1440 N N . GLY A 1 189 ? -24.191 6.587 -5.969 1.00 44.14 ? 187 GLY A N 1 ATOM 1441 C CA . GLY A 1 189 ? -23.661 6.182 -7.257 1.00 36.24 ? 187 GLY A CA 1 ATOM 1442 C C . GLY A 1 189 ? -24.723 5.917 -8.303 1.00 39.57 ? 187 GLY A C 1 ATOM 1443 O O . GLY A 1 189 ? -25.870 5.653 -7.963 1.00 43.77 ? 187 GLY A O 1 ATOM 1444 N N . ASN A 1 190 ? -24.335 6.013 -9.575 1.00 44.76 ? 188 ASN A N 1 ATOM 1445 C CA . ASN A 1 190 ? -25.225 5.724 -10.697 1.00 46.80 ? 188 ASN A CA 1 ATOM 1446 C C . ASN A 1 190 ? -24.884 4.373 -11.286 1.00 42.26 ? 188 ASN A C 1 ATOM 1447 O O . ASN A 1 190 ? -23.879 4.234 -11.964 1.00 42.76 ? 188 ASN A O 1 ATOM 1448 C CB . ASN A 1 190 ? -25.105 6.789 -11.795 1.00 42.72 ? 188 ASN A CB 1 ATOM 1449 C CG . ASN A 1 190 ? -26.141 6.613 -12.895 1.00 47.33 ? 188 ASN A CG 1 ATOM 1450 O OD1 . ASN A 1 190 ? -27.082 5.818 -12.768 1.00 43.08 ? 188 ASN A OD1 1 ATOM 1451 N ND2 . ASN A 1 190 ? -25.985 7.368 -13.977 1.00 50.15 ? 188 ASN A ND2 1 ATOM 1452 N N . PRO A 1 191 ? -25.724 3.369 -11.022 1.00 43.48 ? 189 PRO A N 1 ATOM 1453 C CA . PRO A 1 191 ? -25.454 2.014 -11.515 1.00 36.70 ? 189 PRO A CA 1 ATOM 1454 C C . PRO A 1 191 ? -25.556 1.915 -13.036 1.00 46.49 ? 189 PRO A C 1 ATOM 1455 O O . PRO A 1 191 ? -25.148 0.906 -13.619 1.00 46.52 ? 189 PRO A O 1 ATOM 1456 C CB . PRO A 1 191 ? -26.525 1.161 -10.826 1.00 33.76 ? 189 PRO A CB 1 ATOM 1457 C CG . PRO A 1 191 ? -27.574 2.133 -10.338 1.00 36.34 ? 189 PRO A CG 1 ATOM 1458 C CD . PRO A 1 191 ? -26.879 3.430 -10.105 1.00 40.86 ? 189 PRO A CD 1 ATOM 1459 N N . LYS A 1 192 ? -26.076 2.963 -13.669 1.00 44.74 ? 190 LYS A N 1 ATOM 1460 C CA . LYS A 1 192 ? -26.212 2.988 -15.120 1.00 44.52 ? 190 LYS A CA 1 ATOM 1461 C C . LYS A 1 192 ? -25.060 3.753 -15.735 1.00 37.10 ? 190 LYS A C 1 ATOM 1462 O O . LYS A 1 192 ? -24.994 3.941 -16.944 1.00 40.96 ? 190 LYS A O 1 ATOM 1463 C CB . LYS A 1 192 ? -27.536 3.629 -15.532 1.00 49.79 ? 190 LYS A CB 1 ATOM 1464 C CG . LYS A 1 192 ? -28.743 2.817 -15.180 1.00 53.17 ? 190 LYS A CG 1 ATOM 1465 C CD . LYS A 1 192 ? -29.990 3.678 -15.098 1.00 63.92 ? 190 LYS A CD 1 ATOM 1466 C CE . LYS A 1 192 ? -31.180 2.859 -14.613 1.00 71.20 ? 190 LYS A CE 1 ATOM 1467 N NZ . LYS A 1 192 ? -32.043 3.622 -13.669 1.00 77.42 ? 190 LYS A NZ 1 ATOM 1468 N N . SER A 1 193 ? -24.152 4.219 -14.898 1.00 31.35 ? 191 SER A N 1 ATOM 1469 C CA . SER A 1 193 ? -22.948 4.825 -15.419 1.00 33.07 ? 191 SER A CA 1 ATOM 1470 C C . SER A 1 193 ? -21.745 4.206 -14.721 1.00 35.97 ? 191 SER A C 1 ATOM 1471 O O . SER A 1 193 ? -21.167 4.793 -13.810 1.00 43.77 ? 191 SER A O 1 ATOM 1472 C CB . SER A 1 193 ? -22.978 6.350 -15.263 1.00 30.83 ? 191 SER A CB 1 ATOM 1473 O OG . SER A 1 193 ? -21.846 6.926 -15.881 1.00 30.12 ? 191 SER A OG 1 ATOM 1474 N N . VAL A 1 194 ? -21.380 3.009 -15.163 1.00 30.76 ? 192 VAL A N 1 ATOM 1475 C CA . VAL A 1 194 ? -20.285 2.265 -14.558 1.00 26.17 ? 192 VAL A CA 1 ATOM 1476 C C . VAL A 1 194 ? -19.227 1.933 -15.590 1.00 29.34 ? 192 VAL A C 1 ATOM 1477 O O . VAL A 1 194 ? -19.519 1.308 -16.619 1.00 34.65 ? 192 VAL A O 1 ATOM 1478 C CB . VAL A 1 194 ? -20.790 0.932 -13.896 1.00 36.06 ? 192 VAL A CB 1 ATOM 1479 C CG1 . VAL A 1 194 ? -19.612 0.055 -13.453 1.00 23.17 ? 192 VAL A CG1 1 ATOM 1480 C CG2 . VAL A 1 194 ? -21.742 1.225 -12.726 1.00 28.42 ? 192 VAL A CG2 1 ATOM 1481 N N . THR A 1 195 ? -17.994 2.343 -15.314 1.00 27.79 ? 193 THR A N 1 ATOM 1482 C CA . THR A 1 195 ? -16.888 2.076 -16.232 1.00 30.51 ? 193 THR A CA 1 ATOM 1483 C C . THR A 1 195 ? -15.879 1.137 -15.573 1.00 37.45 ? 193 THR A C 1 ATOM 1484 O O . THR A 1 195 ? -15.441 1.380 -14.448 1.00 36.96 ? 193 THR A O 1 ATOM 1485 C CB . THR A 1 195 ? -16.210 3.395 -16.684 1.00 31.41 ? 193 THR A CB 1 ATOM 1486 O OG1 . THR A 1 195 ? -17.149 4.171 -17.428 1.00 39.93 ? 193 THR A OG1 1 ATOM 1487 C CG2 . THR A 1 195 ? -15.010 3.138 -17.557 1.00 22.79 ? 193 THR A CG2 1 ATOM 1488 N N . LEU A 1 196 ? -15.542 0.042 -16.254 1.00 28.42 ? 194 LEU A N 1 ATOM 1489 C CA . LEU A 1 196 ? -14.534 -0.874 -15.737 1.00 22.12 ? 194 LEU A CA 1 ATOM 1490 C C . LEU A 1 196 ? -13.203 -0.378 -16.226 1.00 23.06 ? 194 LEU A C 1 ATOM 1491 O O . LEU A 1 196 ? -13.097 0.084 -17.358 1.00 30.16 ? 194 LEU A O 1 ATOM 1492 C CB . LEU A 1 196 ? -14.760 -2.297 -16.256 1.00 28.44 ? 194 LEU A CB 1 ATOM 1493 C CG . LEU A 1 196 ? -16.121 -2.914 -15.937 1.00 32.26 ? 194 LEU A CG 1 ATOM 1494 C CD1 . LEU A 1 196 ? -16.189 -4.384 -16.354 1.00 30.89 ? 194 LEU A CD1 1 ATOM 1495 C CD2 . LEU A 1 196 ? -16.429 -2.763 -14.450 1.00 28.22 ? 194 LEU A CD2 1 ATOM 1496 N N . PHE A 1 197 ? -12.195 -0.431 -15.370 1.00 23.95 ? 195 PHE A N 1 ATOM 1497 C CA . PHE A 1 197 ? -10.834 -0.228 -15.829 1.00 26.60 ? 195 PHE A CA 1 ATOM 1498 C C . PHE A 1 197 ? -9.856 -1.119 -15.078 1.00 26.31 ? 195 PHE A C 1 ATOM 1499 O O . PHE A 1 197 ? -10.126 -1.540 -13.965 1.00 25.66 ? 195 PHE A O 1 ATOM 1500 C CB . PHE A 1 197 ? -10.429 1.265 -15.862 1.00 35.89 ? 195 PHE A CB 1 ATOM 1501 C CG . PHE A 1 197 ? -10.242 1.924 -14.502 1.00 36.94 ? 195 PHE A CG 1 ATOM 1502 C CD1 . PHE A 1 197 ? -11.152 1.753 -13.482 1.00 36.09 ? 195 PHE A CD1 1 ATOM 1503 C CD2 . PHE A 1 197 ? -9.150 2.770 -14.284 1.00 34.84 ? 195 PHE A CD2 1 ATOM 1504 C CE1 . PHE A 1 197 ? -10.967 2.376 -12.261 1.00 30.83 ? 195 PHE A CE1 1 ATOM 1505 C CE2 . PHE A 1 197 ? -8.959 3.404 -13.076 1.00 25.06 ? 195 PHE A CE2 1 ATOM 1506 C CZ . PHE A 1 197 ? -9.869 3.206 -12.061 1.00 32.87 ? 195 PHE A CZ 1 ATOM 1507 N N . GLY A 1 198 ? -8.748 -1.448 -15.724 1.00 27.77 ? 196 GLY A N 1 ATOM 1508 C CA . GLY A 1 198 ? -7.735 -2.298 -15.139 1.00 22.58 ? 196 GLY A CA 1 ATOM 1509 C C . GLY A 1 198 ? -6.457 -2.308 -15.953 1.00 26.32 ? 196 GLY A C 1 ATOM 1510 O O . GLY A 1 198 ? -6.399 -1.796 -17.069 1.00 30.55 ? 196 GLY A O 1 ATOM 1511 N N . GLU A 1 199 ? -5.413 -2.892 -15.385 1.00 29.23 ? 197 GLU A N 1 ATOM 1512 C CA . GLU A 1 199 ? -4.121 -2.924 -16.053 1.00 30.15 ? 197 GLU A CA 1 ATOM 1513 C C . GLU A 1 199 ? -3.582 -4.362 -16.118 1.00 38.28 ? 197 GLU A C 1 ATOM 1514 O O . GLU A 1 199 ? -3.764 -5.157 -15.186 1.00 31.75 ? 197 GLU A O 1 ATOM 1515 C CB . GLU A 1 199 ? -3.140 -1.984 -15.354 1.00 26.04 ? 197 GLU A CB 1 ATOM 1516 C CG . GLU A 1 199 ? -1.820 -1.806 -16.066 1.00 30.84 ? 197 GLU A CG 1 ATOM 1517 C CD . GLU A 1 199 ? -0.749 -2.733 -15.541 1.00 33.37 ? 197 GLU A CD 1 ATOM 1518 O OE1 . GLU A 1 199 ? -0.997 -3.445 -14.547 1.00 39.16 ? 197 GLU A OE1 1 ATOM 1519 O OE2 . GLU A 1 199 ? 0.346 -2.748 -16.119 1.00 33.28 ? 197 GLU A OE2 1 ATOM 1520 N N . SER A 1 200 ? -2.944 -4.686 -17.237 1.00 35.04 ? 198 SER A N 1 ATOM 1521 C CA . SER A 1 200 ? -2.357 -5.997 -17.450 1.00 29.83 ? 198 SER A CA 1 ATOM 1522 C C . SER A 1 200 ? -3.437 -7.082 -17.394 1.00 30.98 ? 198 SER A C 1 ATOM 1523 O O . SER A 1 200 ? -4.360 -7.062 -18.215 1.00 30.27 ? 198 SER A O 1 ATOM 1524 C CB . SER A 1 200 ? -1.231 -6.250 -16.449 1.00 35.28 ? 198 SER A CB 1 ATOM 1525 O OG . SER A 1 200 ? -0.230 -7.032 -17.052 1.00 45.15 ? 198 SER A OG 1 ATOM 1526 N N . ALA A 1 201 ? -3.340 -8.008 -16.429 1.00 24.23 ? 199 ALA A N 1 ATOM 1527 C CA . ALA A 1 201 ? -4.355 -9.052 -16.276 1.00 25.37 ? 199 ALA A CA 1 ATOM 1528 C C . ALA A 1 201 ? -5.707 -8.456 -15.882 1.00 30.98 ? 199 ALA A C 1 ATOM 1529 O O . ALA A 1 201 ? -6.754 -9.049 -16.142 1.00 36.17 ? 199 ALA A O 1 ATOM 1530 C CB . ALA A 1 201 ? -3.911 -10.150 -15.274 1.00 23.90 ? 199 ALA A CB 1 ATOM 1531 N N . GLY A 1 202 ? -5.668 -7.276 -15.264 1.00 33.35 ? 200 GLY A N 1 ATOM 1532 C CA . GLY A 1 202 ? -6.860 -6.492 -14.996 1.00 25.40 ? 200 GLY A CA 1 ATOM 1533 C C . GLY A 1 202 ? -7.510 -6.057 -16.291 1.00 26.51 ? 200 GLY A C 1 ATOM 1534 O O . GLY A 1 202 ? -8.725 -6.160 -16.447 1.00 33.12 ? 200 GLY A O 1 ATOM 1535 N N . ALA A 1 203 ? -6.695 -5.615 -17.243 1.00 28.83 ? 201 ALA A N 1 ATOM 1536 C CA . ALA A 1 203 ? -7.210 -5.243 -18.554 1.00 29.65 ? 201 ALA A CA 1 ATOM 1537 C C . ALA A 1 203 ? -7.704 -6.472 -19.347 1.00 31.79 ? 201 ALA A C 1 ATOM 1538 O O . ALA A 1 203 ? -8.771 -6.439 -19.970 1.00 32.43 ? 201 ALA A O 1 ATOM 1539 C CB . ALA A 1 203 ? -6.169 -4.439 -19.339 1.00 22.25 ? 201 ALA A CB 1 ATOM 1540 N N . ALA A 1 204 ? -6.945 -7.558 -19.317 1.00 26.73 ? 202 ALA A N 1 ATOM 1541 C CA . ALA A 1 204 ? -7.438 -8.818 -19.895 1.00 24.83 ? 202 ALA A CA 1 ATOM 1542 C C . ALA A 1 204 ? -8.794 -9.213 -19.307 1.00 23.44 ? 202 ALA A C 1 ATOM 1543 O O . ALA A 1 204 ? -9.705 -9.620 -20.030 1.00 30.62 ? 202 ALA A O 1 ATOM 1544 C CB . ALA A 1 204 ? -6.421 -9.934 -19.705 1.00 26.48 ? 202 ALA A CB 1 ATOM 1545 N N . SER A 1 205 ? -8.934 -9.057 -17.995 1.00 20.45 ? 203 SER A N 1 ATOM 1546 C CA . SER A 1 205 ? -10.211 -9.304 -17.322 1.00 24.40 ? 203 SER A CA 1 ATOM 1547 C C . SER A 1 205 ? -11.324 -8.400 -17.858 1.00 34.37 ? 203 SER A C 1 ATOM 1548 O O . SER A 1 205 ? -12.423 -8.874 -18.148 1.00 31.08 ? 203 SER A O 1 ATOM 1549 C CB . SER A 1 205 ? -10.094 -9.082 -15.796 1.00 22.62 ? 203 SER A CB 1 ATOM 1550 O OG . SER A 1 205 ? -9.194 -9.977 -15.196 1.00 27.39 ? 203 SER A OG 1 ATOM 1551 N N . VAL A 1 206 ? -11.053 -7.092 -17.937 1.00 31.98 ? 204 VAL A N 1 ATOM 1552 C CA . VAL A 1 206 ? -12.047 -6.146 -18.439 1.00 31.87 ? 204 VAL A CA 1 ATOM 1553 C C . VAL A 1 206 ? -12.497 -6.579 -19.829 1.00 25.05 ? 204 VAL A C 1 ATOM 1554 O O . VAL A 1 206 ? -13.688 -6.588 -20.129 1.00 33.18 ? 204 VAL A O 1 ATOM 1555 C CB . VAL A 1 206 ? -11.508 -4.680 -18.493 1.00 31.41 ? 204 VAL A CB 1 ATOM 1556 C CG1 . VAL A 1 206 ? -12.457 -3.787 -19.265 1.00 18.78 ? 204 VAL A CG1 1 ATOM 1557 C CG2 . VAL A 1 206 ? -11.278 -4.119 -17.085 1.00 22.46 ? 204 VAL A CG2 1 ATOM 1558 N N . SER A 1 207 ? -11.542 -6.979 -20.662 1.00 26.89 ? 205 SER A N 1 ATOM 1559 C CA . SER A 1 207 ? -11.862 -7.356 -22.039 1.00 22.68 ? 205 SER A CA 1 ATOM 1560 C C . SER A 1 207 ? -12.703 -8.610 -22.063 1.00 32.08 ? 205 SER A C 1 ATOM 1561 O O . SER A 1 207 ? -13.486 -8.802 -22.986 1.00 35.16 ? 205 SER A O 1 ATOM 1562 C CB . SER A 1 207 ? -10.603 -7.513 -22.915 1.00 22.49 ? 205 SER A CB 1 ATOM 1563 O OG . SER A 1 207 ? -9.821 -8.654 -22.590 1.00 30.46 ? 205 SER A OG 1 ATOM 1564 N N . LEU A 1 208 ? -12.530 -9.459 -21.044 1.00 28.23 ? 206 LEU A N 1 ATOM 1565 C CA . LEU A 1 208 ? -13.312 -10.677 -20.923 1.00 28.22 ? 206 LEU A CA 1 ATOM 1566 C C . LEU A 1 208 ? -14.748 -10.401 -20.453 1.00 36.13 ? 206 LEU A C 1 ATOM 1567 O O . LEU A 1 208 ? -15.695 -11.093 -20.862 1.00 30.17 ? 206 LEU A O 1 ATOM 1568 C CB . LEU A 1 208 ? -12.614 -11.681 -20.011 1.00 28.07 ? 206 LEU A CB 1 ATOM 1569 C CG . LEU A 1 208 ? -11.423 -12.391 -20.642 1.00 33.35 ? 206 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 208 ? -10.674 -13.193 -19.600 1.00 31.09 ? 206 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 208 ? -11.894 -13.286 -21.782 1.00 39.40 ? 206 LEU A CD2 1 ATOM 1572 N N . HIS A 1 209 ? -14.924 -9.375 -19.623 1.00 24.54 ? 207 HIS A N 1 ATOM 1573 C CA . HIS A 1 209 ? -16.283 -8.975 -19.272 1.00 28.00 ? 207 HIS A CA 1 ATOM 1574 C C . HIS A 1 209 ? -17.059 -8.420 -20.477 1.00 33.91 ? 207 HIS A C 1 ATOM 1575 O O . HIS A 1 209 ? -18.283 -8.500 -20.507 1.00 33.00 ? 207 HIS A O 1 ATOM 1576 C CB . HIS A 1 209 ? -16.298 -7.988 -18.115 1.00 29.70 ? 207 HIS A CB 1 ATOM 1577 C CG . HIS A 1 209 ? -15.901 -8.586 -16.802 1.00 28.65 ? 207 HIS A CG 1 ATOM 1578 N ND1 . HIS A 1 209 ? -16.763 -9.348 -16.041 1.00 32.95 ? 207 HIS A ND1 1 ATOM 1579 C CD2 . HIS A 1 209 ? -14.738 -8.526 -16.110 1.00 27.28 ? 207 HIS A CD2 1 ATOM 1580 C CE1 . HIS A 1 209 ? -16.150 -9.725 -14.933 1.00 35.11 ? 207 HIS A CE1 1 ATOM 1581 N NE2 . HIS A 1 209 ? -14.918 -9.246 -14.954 1.00 34.97 ? 207 HIS A NE2 1 ATOM 1582 N N . LEU A 1 210 ? -16.353 -7.879 -21.474 1.00 30.41 ? 208 LEU A N 1 ATOM 1583 C CA . LEU A 1 210 ? -17.011 -7.485 -22.725 1.00 23.63 ? 208 LEU A CA 1 ATOM 1584 C C . LEU A 1 210 ? -17.614 -8.686 -23.469 1.00 33.28 ? 208 LEU A C 1 ATOM 1585 O O . LEU A 1 210 ? -18.612 -8.543 -24.174 1.00 38.24 ? 208 LEU A O 1 ATOM 1586 C CB . LEU A 1 210 ? -16.064 -6.697 -23.637 1.00 23.21 ? 208 LEU A CB 1 ATOM 1587 C CG . LEU A 1 210 ? -15.641 -5.314 -23.105 1.00 30.49 ? 208 LEU A CG 1 ATOM 1588 C CD1 . LEU A 1 210 ? -14.533 -4.724 -23.930 1.00 20.97 ? 208 LEU A CD1 1 ATOM 1589 C CD2 . LEU A 1 210 ? -16.818 -4.355 -23.030 1.00 33.68 ? 208 LEU A CD2 1 ATOM 1590 N N . LEU A 1 211 ? -17.009 -9.862 -23.291 1.00 35.93 ? 209 LEU A N 1 ATOM 1591 C CA . LEU A 1 211 ? -17.444 -11.100 -23.945 1.00 40.01 ? 209 LEU A CA 1 ATOM 1592 C C . LEU A 1 211 ? -18.442 -11.934 -23.143 1.00 38.46 ? 209 LEU A C 1 ATOM 1593 O O . LEU A 1 211 ? -19.169 -12.737 -23.714 1.00 43.71 ? 209 LEU A O 1 ATOM 1594 C CB . LEU A 1 211 ? -16.243 -12.001 -24.223 1.00 38.94 ? 209 LEU A CB 1 ATOM 1595 C CG . LEU A 1 211 ? -15.120 -11.457 -25.087 1.00 44.78 ? 209 LEU A CG 1 ATOM 1596 C CD1 . LEU A 1 211 ? -14.145 -12.575 -25.378 1.00 36.59 ? 209 LEU A CD1 1 ATOM 1597 C CD2 . LEU A 1 211 ? -15.665 -10.869 -26.366 1.00 41.58 ? 209 LEU A CD2 1 ATOM 1598 N N . SER A 1 212 ? -18.441 -11.786 -21.821 1.00 36.80 ? 210 SER A N 1 ATOM 1599 C CA . SER A 1 212 ? -19.269 -12.641 -20.977 1.00 37.98 ? 210 SER A CA 1 ATOM 1600 C C . SER A 1 212 ? -20.693 -12.111 -20.808 1.00 43.37 ? 210 SER A C 1 ATOM 1601 O O . SER A 1 212 ? -20.905 -11.062 -20.215 1.00 50.28 ? 210 SER A O 1 ATOM 1602 C CB . SER A 1 212 ? -18.607 -12.868 -19.622 1.00 38.68 ? 210 SER A CB 1 ATOM 1603 O OG . SER A 1 212 ? -19.425 -13.665 -18.785 1.00 52.97 ? 210 SER A OG 1 ATOM 1604 N N . PRO A 1 213 ? -21.674 -12.856 -21.326 1.00 54.61 ? 211 PRO A N 1 ATOM 1605 C CA . PRO A 1 213 ? -23.100 -12.492 -21.303 1.00 55.73 ? 211 PRO A CA 1 ATOM 1606 C C . PRO A 1 213 ? -23.606 -12.145 -19.897 1.00 50.01 ? 211 PRO A C 1 ATOM 1607 O O . PRO A 1 213 ? -24.465 -11.276 -19.742 1.00 58.41 ? 211 PRO A O 1 ATOM 1608 C CB . PRO A 1 213 ? -23.793 -13.762 -21.829 1.00 54.11 ? 211 PRO A CB 1 ATOM 1609 C CG . PRO A 1 213 ? -22.745 -14.449 -22.649 1.00 53.27 ? 211 PRO A CG 1 ATOM 1610 C CD . PRO A 1 213 ? -21.446 -14.174 -21.947 1.00 57.00 ? 211 PRO A CD 1 ATOM 1611 N N . GLY A 1 214 ? -23.064 -12.812 -18.884 1.00 46.19 ? 212 GLY A N 1 ATOM 1612 C CA . GLY A 1 214 ? -23.401 -12.511 -17.505 1.00 40.11 ? 212 GLY A CA 1 ATOM 1613 C C . GLY A 1 214 ? -22.900 -11.154 -17.015 1.00 41.44 ? 212 GLY A C 1 ATOM 1614 O O . GLY A 1 214 ? -23.408 -10.622 -16.027 1.00 39.55 ? 212 GLY A O 1 ATOM 1615 N N . SER A 1 215 ? -21.903 -10.589 -17.689 1.00 28.49 ? 213 SER A N 1 ATOM 1616 C CA . SER A 1 215 ? -21.373 -9.303 -17.267 1.00 35.02 ? 213 SER A CA 1 ATOM 1617 C C . SER A 1 215 ? -22.035 -8.159 -18.017 1.00 36.26 ? 213 SER A C 1 ATOM 1618 O O . SER A 1 215 ? -21.989 -7.032 -17.553 1.00 41.76 ? 213 SER A O 1 ATOM 1619 C CB . SER A 1 215 ? -19.852 -9.239 -17.469 1.00 33.90 ? 213 SER A CB 1 ATOM 1620 O OG . SER A 1 215 ? -19.172 -10.154 -16.623 1.00 39.88 ? 213 SER A OG 1 ATOM 1621 N N . HIS A 1 216 ? -22.668 -8.479 -19.148 1.00 41.47 ? 214 HIS A N 1 ATOM 1622 C CA A HIS A 1 216 ? -23.119 -7.445 -20.081 0.57 43.26 ? 214 HIS A CA 1 ATOM 1623 C CA B HIS A 1 216 ? -23.246 -7.517 -20.106 0.43 42.60 ? 214 HIS A CA 1 ATOM 1624 C C . HIS A 1 216 ? -23.986 -6.337 -19.472 1.00 44.70 ? 214 HIS A C 1 ATOM 1625 O O . HIS A 1 216 ? -23.854 -5.190 -19.884 1.00 44.38 ? 214 HIS A O 1 ATOM 1626 C CB A HIS A 1 216 ? -23.775 -8.041 -21.337 0.57 41.02 ? 214 HIS A CB 1 ATOM 1627 C CB B HIS A 1 216 ? -24.210 -8.264 -21.046 0.43 39.15 ? 214 HIS A CB 1 ATOM 1628 C CG A HIS A 1 216 ? -22.792 -8.591 -22.330 0.57 41.59 ? 214 HIS A CG 1 ATOM 1629 C CG B HIS A 1 216 ? -24.783 -7.420 -22.145 0.43 33.81 ? 214 HIS A CG 1 ATOM 1630 N ND1 A HIS A 1 216 ? -23.159 -9.005 -23.595 0.57 33.40 ? 214 HIS A ND1 1 ATOM 1631 N ND1 B HIS A 1 216 ? -24.105 -7.160 -23.317 0.43 27.45 ? 214 HIS A ND1 1 ATOM 1632 C CD2 A HIS A 1 216 ? -21.455 -8.798 -22.239 0.57 35.98 ? 214 HIS A CD2 1 ATOM 1633 C CD2 B HIS A 1 216 ? -25.982 -6.800 -22.261 0.43 32.99 ? 214 HIS A CD2 1 ATOM 1634 C CE1 A HIS A 1 216 ? -22.095 -9.453 -24.238 0.57 27.85 ? 214 HIS A CE1 1 ATOM 1635 C CE1 B HIS A 1 216 ? -24.853 -6.401 -24.099 0.43 22.88 ? 214 HIS A CE1 1 ATOM 1636 N NE2 A HIS A 1 216 ? -21.047 -9.331 -23.441 0.57 43.73 ? 214 HIS A NE2 1 ATOM 1637 N NE2 B HIS A 1 216 ? -25.997 -6.169 -23.482 0.43 28.40 ? 214 HIS A NE2 1 ATOM 1638 N N . SER A 1 217 ? -24.812 -6.637 -18.476 1.00 42.15 ? 215 SER A N 1 ATOM 1639 C CA . SER A 1 217 ? -25.637 -5.585 -17.899 1.00 38.37 ? 215 SER A CA 1 ATOM 1640 C C . SER A 1 217 ? -25.115 -5.057 -16.566 1.00 39.56 ? 215 SER A C 1 ATOM 1641 O O . SER A 1 217 ? -25.846 -4.391 -15.845 1.00 38.23 ? 215 SER A O 1 ATOM 1642 C CB . SER A 1 217 ? -27.078 -6.056 -17.736 1.00 46.84 ? 215 SER A CB 1 ATOM 1643 O OG . SER A 1 217 ? -27.158 -7.024 -16.707 1.00 54.78 ? 215 SER A OG 1 ATOM 1644 N N . LEU A 1 218 ? -23.856 -5.337 -16.237 1.00 36.87 ? 216 LEU A N 1 ATOM 1645 C CA . LEU A 1 218 ? -23.318 -4.887 -14.957 1.00 33.62 ? 216 LEU A CA 1 ATOM 1646 C C . LEU A 1 218 ? -22.315 -3.745 -15.137 1.00 35.63 ? 216 LEU A C 1 ATOM 1647 O O . LEU A 1 218 ? -21.696 -3.299 -14.174 1.00 34.28 ? 216 LEU A O 1 ATOM 1648 C CB . LEU A 1 218 ? -22.666 -6.048 -14.200 1.00 35.38 ? 216 LEU A CB 1 ATOM 1649 C CG . LEU A 1 218 ? -23.461 -7.361 -14.174 1.00 32.51 ? 216 LEU A CG 1 ATOM 1650 C CD1 . LEU A 1 218 ? -22.611 -8.513 -13.689 1.00 29.95 ? 216 LEU A CD1 1 ATOM 1651 C CD2 . LEU A 1 218 ? -24.704 -7.232 -13.327 1.00 30.86 ? 216 LEU A CD2 1 ATOM 1652 N N . PHE A 1 219 ? -22.142 -3.282 -16.369 1.00 32.47 ? 217 PHE A N 1 ATOM 1653 C CA . PHE A 1 219 ? -21.293 -2.115 -16.609 1.00 36.80 ? 217 PHE A CA 1 ATOM 1654 C C . PHE A 1 219 ? -21.686 -1.382 -17.896 1.00 33.52 ? 217 PHE A C 1 ATOM 1655 O O . PHE A 1 219 ? -22.518 -1.866 -18.651 1.00 32.85 ? 217 PHE A O 1 ATOM 1656 C CB . PHE A 1 219 ? -19.796 -2.485 -16.560 1.00 33.17 ? 217 PHE A CB 1 ATOM 1657 C CG . PHE A 1 219 ? -19.314 -3.330 -17.713 1.00 35.57 ? 217 PHE A CG 1 ATOM 1658 C CD1 . PHE A 1 219 ? -19.630 -4.681 -17.791 1.00 33.18 ? 217 PHE A CD1 1 ATOM 1659 C CD2 . PHE A 1 219 ? -18.493 -2.777 -18.702 1.00 31.98 ? 217 PHE A CD2 1 ATOM 1660 C CE1 . PHE A 1 219 ? -19.173 -5.470 -18.860 1.00 27.90 ? 217 PHE A CE1 1 ATOM 1661 C CE2 . PHE A 1 219 ? -18.014 -3.554 -19.748 1.00 30.14 ? 217 PHE A CE2 1 ATOM 1662 C CZ . PHE A 1 219 ? -18.367 -4.910 -19.834 1.00 32.57 ? 217 PHE A CZ 1 ATOM 1663 N N . THR A 1 220 ? -21.107 -0.209 -18.125 1.00 34.41 ? 218 THR A N 1 ATOM 1664 C CA . THR A 1 220 ? -21.470 0.623 -19.271 1.00 28.20 ? 218 THR A CA 1 ATOM 1665 C C . THR A 1 220 ? -20.329 0.653 -20.298 1.00 32.66 ? 218 THR A C 1 ATOM 1666 O O . THR A 1 220 ? -20.542 0.408 -21.478 1.00 34.13 ? 218 THR A O 1 ATOM 1667 C CB . THR A 1 220 ? -21.782 2.068 -18.819 1.00 40.78 ? 218 THR A CB 1 ATOM 1668 O OG1 . THR A 1 220 ? -22.630 2.044 -17.662 1.00 49.29 ? 218 THR A OG1 1 ATOM 1669 C CG2 . THR A 1 220 ? -22.456 2.861 -19.938 1.00 28.17 ? 218 THR A CG2 1 ATOM 1670 N N . ARG A 1 221 ? -19.114 0.925 -19.822 1.00 29.26 ? 219 ARG A N 1 ATOM 1671 C CA . ARG A 1 221 ? -17.948 1.154 -20.678 1.00 34.82 ? 219 ARG A CA 1 ATOM 1672 C C . ARG A 1 221 ? -16.685 0.541 -20.078 1.00 32.58 ? 219 ARG A C 1 ATOM 1673 O O . ARG A 1 221 ? -16.721 -0.002 -18.986 1.00 38.78 ? 219 ARG A O 1 ATOM 1674 C CB . ARG A 1 221 ? -17.725 2.654 -20.858 1.00 33.43 ? 219 ARG A CB 1 ATOM 1675 C CG . ARG A 1 221 ? -18.676 3.291 -21.812 1.00 45.18 ? 219 ARG A CG 1 ATOM 1676 C CD . ARG A 1 221 ? -18.274 4.708 -22.048 1.00 39.60 ? 219 ARG A CD 1 ATOM 1677 N NE . ARG A 1 221 ? -18.920 5.556 -21.076 1.00 44.40 ? 219 ARG A NE 1 ATOM 1678 C CZ . ARG A 1 221 ? -20.153 6.022 -21.219 1.00 40.78 ? 219 ARG A CZ 1 ATOM 1679 N NH1 . ARG A 1 221 ? -20.861 5.723 -22.302 1.00 33.17 ? 219 ARG A NH1 1 ATOM 1680 N NH2 . ARG A 1 221 ? -20.672 6.789 -20.279 1.00 40.42 ? 219 ARG A NH2 1 ATOM 1681 N N . ALA A 1 222 ? -15.558 0.683 -20.765 1.00 26.61 ? 220 ALA A N 1 ATOM 1682 C CA . ALA A 1 222 ? -14.392 -0.121 -20.427 1.00 25.79 ? 220 ALA A CA 1 ATOM 1683 C C . ALA A 1 222 ? -13.073 0.515 -20.835 1.00 24.74 ? 220 ALA A C 1 ATOM 1684 O O . ALA A 1 222 ? -12.904 0.945 -21.975 1.00 29.32 ? 220 ALA A O 1 ATOM 1685 C CB . ALA A 1 222 ? -14.529 -1.496 -21.075 1.00 26.64 ? 220 ALA A CB 1 ATOM 1686 N N . ILE A 1 223 ? -12.134 0.552 -19.896 1.00 23.65 ? 221 ILE A N 1 ATOM 1687 C CA . ILE A 1 223 ? -10.789 1.055 -20.165 1.00 33.07 ? 221 ILE A CA 1 ATOM 1688 C C . ILE A 1 223 ? -9.754 -0.038 -19.945 1.00 31.85 ? 221 ILE A C 1 ATOM 1689 O O . ILE A 1 223 ? -9.732 -0.663 -18.892 1.00 33.17 ? 221 ILE A O 1 ATOM 1690 C CB . ILE A 1 223 ? -10.417 2.241 -19.239 1.00 29.04 ? 221 ILE A CB 1 ATOM 1691 C CG1 . ILE A 1 223 ? -11.385 3.406 -19.424 1.00 24.26 ? 221 ILE A CG1 1 ATOM 1692 C CG2 . ILE A 1 223 ? -8.973 2.667 -19.475 1.00 16.70 ? 221 ILE A CG2 1 ATOM 1693 C CD1 . ILE A 1 223 ? -11.304 4.444 -18.307 1.00 24.96 ? 221 ILE A CD1 1 ATOM 1694 N N . LEU A 1 224 ? -8.875 -0.229 -20.921 1.00 30.35 ? 222 LEU A N 1 ATOM 1695 C CA . LEU A 1 224 ? -7.935 -1.339 -20.906 1.00 29.52 ? 222 LEU A CA 1 ATOM 1696 C C . LEU A 1 224 ? -6.499 -0.854 -20.940 1.00 27.85 ? 222 LEU A C 1 ATOM 1697 O O . LEU A 1 224 ? -6.011 -0.439 -21.978 1.00 31.12 ? 222 LEU A O 1 ATOM 1698 C CB . LEU A 1 224 ? -8.177 -2.257 -22.115 1.00 33.07 ? 222 LEU A CB 1 ATOM 1699 C CG . LEU A 1 224 ? -9.429 -3.132 -22.126 1.00 35.05 ? 222 LEU A CG 1 ATOM 1700 C CD1 . LEU A 1 224 ? -10.695 -2.331 -22.416 1.00 33.02 ? 222 LEU A CD1 1 ATOM 1701 C CD2 . LEU A 1 224 ? -9.271 -4.256 -23.138 1.00 37.63 ? 222 LEU A CD2 1 ATOM 1702 N N . GLN A 1 225 ? -5.804 -0.919 -19.816 1.00 29.33 ? 223 GLN A N 1 ATOM 1703 C CA . GLN A 1 225 ? -4.426 -0.448 -19.786 1.00 28.22 ? 223 GLN A CA 1 ATOM 1704 C C . GLN A 1 225 ? -3.435 -1.622 -19.908 1.00 32.78 ? 223 GLN A C 1 ATOM 1705 O O . GLN A 1 225 ? -3.394 -2.504 -19.054 1.00 37.95 ? 223 GLN A O 1 ATOM 1706 C CB . GLN A 1 225 ? -4.197 0.393 -18.520 1.00 29.20 ? 223 GLN A CB 1 ATOM 1707 C CG . GLN A 1 225 ? -5.205 1.567 -18.373 1.00 28.83 ? 223 GLN A CG 1 ATOM 1708 C CD . GLN A 1 225 ? -5.182 2.243 -16.998 1.00 35.95 ? 223 GLN A CD 1 ATOM 1709 O OE1 . GLN A 1 225 ? -6.155 2.873 -16.594 1.00 36.29 ? 223 GLN A OE1 1 ATOM 1710 N NE2 . GLN A 1 225 ? -4.075 2.100 -16.275 1.00 37.92 ? 223 GLN A NE2 1 ATOM 1711 N N . SER A 1 226 ? -2.672 -1.643 -20.999 1.00 31.66 ? 224 SER A N 1 ATOM 1712 C CA . SER A 1 226 ? -1.633 -2.651 -21.231 1.00 30.89 ? 224 SER A CA 1 ATOM 1713 C C . SER A 1 226 ? -2.112 -4.102 -21.063 1.00 37.02 ? 224 SER A C 1 ATOM 1714 O O . SER A 1 226 ? -1.576 -4.859 -20.257 1.00 34.75 ? 224 SER A O 1 ATOM 1715 C CB . SER A 1 226 ? -0.433 -2.398 -20.313 1.00 26.72 ? 224 SER A CB 1 ATOM 1716 O OG . SER A 1 226 ? -0.049 -1.038 -20.339 1.00 32.77 ? 224 SER A OG 1 ATOM 1717 N N . GLY A 1 227 ? -3.119 -4.496 -21.823 1.00 36.61 ? 225 GLY A N 1 ATOM 1718 C CA . GLY A 1 227 ? -3.639 -5.837 -21.681 1.00 31.60 ? 225 GLY A CA 1 ATOM 1719 C C . GLY A 1 227 ? -4.935 -6.041 -22.432 1.00 40.01 ? 225 GLY A C 1 ATOM 1720 O O . GLY A 1 227 ? -5.724 -5.096 -22.607 1.00 38.34 ? 225 GLY A O 1 ATOM 1721 N N . SER A 1 228 ? -5.136 -7.285 -22.874 1.00 29.16 ? 226 SER A N 1 ATOM 1722 C CA . SER A 1 228 ? -6.366 -7.713 -23.519 1.00 24.20 ? 226 SER A CA 1 ATOM 1723 C C . SER A 1 228 ? -6.330 -9.235 -23.630 1.00 30.63 ? 226 SER A C 1 ATOM 1724 O O . SER A 1 228 ? -5.242 -9.835 -23.659 1.00 27.84 ? 226 SER A O 1 ATOM 1725 C CB . SER A 1 228 ? -6.436 -7.095 -24.902 1.00 28.07 ? 226 SER A CB 1 ATOM 1726 O OG . SER A 1 228 ? -5.195 -7.306 -25.555 1.00 26.79 ? 226 SER A OG 1 ATOM 1727 N N . PHE A 1 229 ? -7.502 -9.860 -23.720 1.00 31.91 ? 227 PHE A N 1 ATOM 1728 C CA . PHE A 1 229 ? -7.590 -11.328 -23.690 1.00 31.43 ? 227 PHE A CA 1 ATOM 1729 C C . PHE A 1 229 ? -6.819 -12.020 -24.813 1.00 40.30 ? 227 PHE A C 1 ATOM 1730 O O . PHE A 1 229 ? -6.508 -13.211 -24.712 1.00 40.73 ? 227 PHE A O 1 ATOM 1731 C CB . PHE A 1 229 ? -9.051 -11.814 -23.681 1.00 31.59 ? 227 PHE A CB 1 ATOM 1732 C CG . PHE A 1 229 ? -9.829 -11.436 -24.911 1.00 41.28 ? 227 PHE A CG 1 ATOM 1733 C CD1 . PHE A 1 229 ? -9.592 -12.062 -26.129 1.00 46.42 ? 227 PHE A CD1 1 ATOM 1734 C CD2 . PHE A 1 229 ? -10.809 -10.456 -24.849 1.00 49.40 ? 227 PHE A CD2 1 ATOM 1735 C CE1 . PHE A 1 229 ? -10.306 -11.707 -27.272 1.00 46.21 ? 227 PHE A CE1 1 ATOM 1736 C CE2 . PHE A 1 229 ? -11.531 -10.101 -25.992 1.00 55.76 ? 227 PHE A CE2 1 ATOM 1737 C CZ . PHE A 1 229 ? -11.275 -10.734 -27.201 1.00 46.35 ? 227 PHE A CZ 1 ATOM 1738 N N . ASN A 1 230 ? -6.526 -11.277 -25.881 1.00 30.94 ? 228 ASN A N 1 ATOM 1739 C CA . ASN A 1 230 ? -5.896 -11.863 -27.066 1.00 28.08 ? 228 ASN A CA 1 ATOM 1740 C C . ASN A 1 230 ? -4.376 -11.817 -26.980 1.00 32.90 ? 228 ASN A C 1 ATOM 1741 O O . ASN A 1 230 ? -3.695 -12.215 -27.918 1.00 36.07 ? 228 ASN A O 1 ATOM 1742 C CB . ASN A 1 230 ? -6.358 -11.157 -28.344 1.00 23.12 ? 228 ASN A CB 1 ATOM 1743 C CG . ASN A 1 230 ? -5.927 -9.692 -28.380 1.00 31.70 ? 228 ASN A CG 1 ATOM 1744 O OD1 . ASN A 1 230 ? -6.011 -8.980 -27.369 1.00 28.71 ? 228 ASN A OD1 1 ATOM 1745 N ND2 . ASN A 1 230 ? -5.423 -9.251 -29.530 1.00 29.61 ? 228 ASN A ND2 1 ATOM 1746 N N . ALA A 1 231 ? -3.852 -11.305 -25.869 1.00 27.90 ? 229 ALA A N 1 ATOM 1747 C CA . ALA A 1 231 ? -2.422 -11.379 -25.600 1.00 31.83 ? 229 ALA A CA 1 ATOM 1748 C C . ALA A 1 231 ? -2.064 -12.860 -25.383 1.00 37.69 ? 229 ALA A C 1 ATOM 1749 O O . ALA A 1 231 ? -2.897 -13.624 -24.887 1.00 37.28 ? 229 ALA A O 1 ATOM 1750 C CB . ALA A 1 231 ? -2.082 -10.553 -24.384 1.00 18.97 ? 229 ALA A CB 1 ATOM 1751 N N . PRO A 1 232 ? -0.835 -13.271 -25.762 1.00 37.62 ? 230 PRO A N 1 ATOM 1752 C CA . PRO A 1 232 ? -0.492 -14.708 -25.766 1.00 39.76 ? 230 PRO A CA 1 ATOM 1753 C C . PRO A 1 232 ? -0.591 -15.365 -24.386 1.00 41.88 ? 230 PRO A C 1 ATOM 1754 O O . PRO A 1 232 ? -0.771 -16.574 -24.334 1.00 43.40 ? 230 PRO A O 1 ATOM 1755 C CB . PRO A 1 232 ? 0.966 -14.752 -26.245 1.00 31.01 ? 230 PRO A CB 1 ATOM 1756 C CG . PRO A 1 232 ? 1.304 -13.361 -26.690 1.00 36.76 ? 230 PRO A CG 1 ATOM 1757 C CD . PRO A 1 232 ? 0.315 -12.412 -26.093 1.00 32.78 ? 230 PRO A CD 1 ATOM 1758 N N . TRP A 1 233 ? -0.511 -14.579 -23.311 1.00 37.45 ? 231 TRP A N 1 ATOM 1759 C CA . TRP A 1 233 ? -0.516 -15.100 -21.931 1.00 29.54 ? 231 TRP A CA 1 ATOM 1760 C C . TRP A 1 233 ? -1.888 -15.125 -21.272 1.00 29.11 ? 231 TRP A C 1 ATOM 1761 O O . TRP A 1 233 ? -2.024 -15.612 -20.161 1.00 40.96 ? 231 TRP A O 1 ATOM 1762 C CB . TRP A 1 233 ? 0.422 -14.261 -21.036 1.00 29.02 ? 231 TRP A CB 1 ATOM 1763 C CG . TRP A 1 233 ? 0.270 -12.742 -21.228 1.00 34.16 ? 231 TRP A CG 1 ATOM 1764 C CD1 . TRP A 1 233 ? 1.042 -11.932 -22.027 1.00 36.07 ? 231 TRP A CD1 1 ATOM 1765 C CD2 . TRP A 1 233 ? -0.720 -11.883 -20.639 1.00 33.07 ? 231 TRP A CD2 1 ATOM 1766 N NE1 . TRP A 1 233 ? 0.606 -10.631 -21.952 1.00 32.07 ? 231 TRP A NE1 1 ATOM 1767 C CE2 . TRP A 1 233 ? -0.472 -10.570 -21.112 1.00 32.31 ? 231 TRP A CE2 1 ATOM 1768 C CE3 . TRP A 1 233 ? -1.780 -12.090 -19.747 1.00 30.58 ? 231 TRP A CE3 1 ATOM 1769 C CZ2 . TRP A 1 233 ? -1.253 -9.475 -20.732 1.00 26.28 ? 231 TRP A CZ2 1 ATOM 1770 C CZ3 . TRP A 1 233 ? -2.553 -11.007 -19.366 1.00 29.51 ? 231 TRP A CZ3 1 ATOM 1771 C CH2 . TRP A 1 233 ? -2.280 -9.708 -19.850 1.00 30.04 ? 231 TRP A CH2 1 ATOM 1772 N N . ALA A 1 234 ? -2.901 -14.576 -21.931 1.00 33.05 ? 232 ALA A N 1 ATOM 1773 C CA . ALA A 1 234 ? -4.159 -14.286 -21.240 1.00 33.54 ? 232 ALA A CA 1 ATOM 1774 C C . ALA A 1 234 ? -5.085 -15.495 -21.023 1.00 40.45 ? 232 ALA A C 1 ATOM 1775 O O . ALA A 1 234 ? -5.637 -15.669 -19.933 1.00 45.08 ? 232 ALA A O 1 ATOM 1776 C CB . ALA A 1 234 ? -4.911 -13.155 -21.947 1.00 21.29 ? 232 ALA A CB 1 ATOM 1777 N N . VAL A 1 235 ? -5.269 -16.317 -22.056 1.00 34.16 ? 233 VAL A N 1 ATOM 1778 C CA . VAL A 1 235 ? -6.252 -17.390 -21.970 1.00 39.90 ? 233 VAL A CA 1 ATOM 1779 C C . VAL A 1 235 ? -5.665 -18.760 -22.286 1.00 38.65 ? 233 VAL A C 1 ATOM 1780 O O . VAL A 1 235 ? -4.916 -18.921 -23.240 1.00 38.98 ? 233 VAL A O 1 ATOM 1781 C CB . VAL A 1 235 ? -7.488 -17.113 -22.862 1.00 46.23 ? 233 VAL A CB 1 ATOM 1782 C CG1 . VAL A 1 235 ? -8.477 -18.276 -22.785 1.00 50.81 ? 233 VAL A CG1 1 ATOM 1783 C CG2 . VAL A 1 235 ? -8.170 -15.794 -22.449 1.00 32.57 ? 233 VAL A CG2 1 ATOM 1784 N N . THR A 1 236 ? -5.998 -19.746 -21.462 1.00 43.06 ? 234 THR A N 1 ATOM 1785 C CA . THR A 1 236 ? -5.527 -21.109 -21.674 1.00 41.42 ? 234 THR A CA 1 ATOM 1786 C C . THR A 1 236 ? -6.612 -21.928 -22.376 1.00 40.58 ? 234 THR A C 1 ATOM 1787 O O . THR A 1 236 ? -7.798 -21.784 -22.067 1.00 46.86 ? 234 THR A O 1 ATOM 1788 C CB . THR A 1 236 ? -5.104 -21.755 -20.332 1.00 47.86 ? 234 THR A CB 1 ATOM 1789 O OG1 . THR A 1 236 ? -3.893 -21.138 -19.862 1.00 43.45 ? 234 THR A OG1 1 ATOM 1790 C CG2 . THR A 1 236 ? -4.842 -23.221 -20.510 1.00 57.20 ? 234 THR A CG2 1 ATOM 1791 N N . SER A 1 237 ? -6.225 -22.752 -23.348 1.00 39.89 ? 235 SER A N 1 ATOM 1792 C CA . SER A 1 237 ? -7.175 -23.702 -23.944 1.00 47.22 ? 235 SER A CA 1 ATOM 1793 C C . SER A 1 237 ? -7.754 -24.615 -22.860 1.00 47.18 ? 235 SER A C 1 ATOM 1794 O O . SER A 1 237 ? -7.124 -24.853 -21.834 1.00 46.07 ? 235 SER A O 1 ATOM 1795 C CB . SER A 1 237 ? -6.503 -24.571 -24.996 1.00 50.96 ? 235 SER A CB 1 ATOM 1796 O OG . SER A 1 237 ? -5.873 -25.685 -24.381 1.00 60.87 ? 235 SER A OG 1 ATOM 1797 N N . LEU A 1 238 ? -8.960 -25.106 -23.100 1.00 45.47 ? 236 LEU A N 1 ATOM 1798 C CA . LEU A 1 238 ? -9.686 -25.958 -22.159 1.00 44.87 ? 236 LEU A CA 1 ATOM 1799 C C . LEU A 1 238 ? -8.877 -27.162 -21.638 1.00 45.55 ? 236 LEU A C 1 ATOM 1800 O O . LEU A 1 238 ? -8.859 -27.426 -20.433 1.00 40.20 ? 236 LEU A O 1 ATOM 1801 C CB . LEU A 1 238 ? -11.004 -26.395 -22.802 1.00 47.85 ? 236 LEU A CB 1 ATOM 1802 C CG . LEU A 1 238 ? -11.687 -27.709 -22.467 1.00 59.81 ? 236 LEU A CG 1 ATOM 1803 C CD1 . LEU A 1 238 ? -12.259 -27.675 -21.078 1.00 60.23 ? 236 LEU A CD1 1 ATOM 1804 C CD2 . LEU A 1 238 ? -12.777 -27.951 -23.481 1.00 66.43 ? 236 LEU A CD2 1 ATOM 1805 N N . TYR A 1 239 ? -8.175 -27.857 -22.529 1.00 45.15 ? 237 TYR A N 1 ATOM 1806 C CA . TYR A 1 239 ? -7.441 -29.063 -22.132 1.00 50.57 ? 237 TYR A CA 1 ATOM 1807 C C . TYR A 1 239 ? -6.027 -28.846 -21.631 1.00 46.98 ? 237 TYR A C 1 ATOM 1808 O O . TYR A 1 239 ? -5.448 -29.734 -21.005 1.00 54.34 ? 237 TYR A O 1 ATOM 1809 C CB . TYR A 1 239 ? -7.451 -30.112 -23.245 1.00 56.16 ? 237 TYR A CB 1 ATOM 1810 C CG . TYR A 1 239 ? -8.764 -30.826 -23.283 1.00 58.81 ? 237 TYR A CG 1 ATOM 1811 C CD1 . TYR A 1 239 ? -9.090 -31.758 -22.295 1.00 57.85 ? 237 TYR A CD1 1 ATOM 1812 C CD2 . TYR A 1 239 ? -9.703 -30.547 -24.276 1.00 52.10 ? 237 TYR A CD2 1 ATOM 1813 C CE1 . TYR A 1 239 ? -10.305 -32.411 -22.306 1.00 61.88 ? 237 TYR A CE1 1 ATOM 1814 C CE2 . TYR A 1 239 ? -10.922 -31.195 -24.295 1.00 65.78 ? 237 TYR A CE2 1 ATOM 1815 C CZ . TYR A 1 239 ? -11.215 -32.130 -23.309 1.00 68.47 ? 237 TYR A CZ 1 ATOM 1816 O OH . TYR A 1 239 ? -12.424 -32.776 -23.318 1.00 71.74 ? 237 TYR A OH 1 ATOM 1817 N N . GLU A 1 240 ? -5.467 -27.683 -21.928 1.00 45.24 ? 238 GLU A N 1 ATOM 1818 C CA . GLU A 1 240 ? -4.199 -27.299 -21.342 1.00 46.93 ? 238 GLU A CA 1 ATOM 1819 C C . GLU A 1 240 ? -4.471 -26.958 -19.869 1.00 47.71 ? 238 GLU A C 1 ATOM 1820 O O . GLU A 1 240 ? -3.689 -27.302 -18.971 1.00 49.96 ? 238 GLU A O 1 ATOM 1821 C CB . GLU A 1 240 ? -3.585 -26.130 -22.119 1.00 44.19 ? 238 GLU A CB 1 ATOM 1822 C CG . GLU A 1 240 ? -2.289 -25.581 -21.533 1.00 59.08 ? 238 GLU A CG 1 ATOM 1823 C CD . GLU A 1 240 ? -1.205 -26.642 -21.376 1.00 71.60 ? 238 GLU A CD 1 ATOM 1824 O OE1 . GLU A 1 240 ? -1.145 -27.565 -22.212 1.00 76.31 ? 238 GLU A OE1 1 ATOM 1825 O OE2 . GLU A 1 240 ? -0.416 -26.554 -20.409 1.00 72.27 ? 238 GLU A OE2 1 ATOM 1826 N N . ALA A 1 241 ? -5.607 -26.306 -19.637 1.00 35.98 ? 239 ALA A N 1 ATOM 1827 C CA . ALA A 1 241 ? -6.074 -25.998 -18.291 1.00 39.03 ? 239 ALA A CA 1 ATOM 1828 C C . ALA A 1 241 ? -6.270 -27.296 -17.465 1.00 45.39 ? 239 ALA A C 1 ATOM 1829 O O . ALA A 1 241 ? -5.692 -27.436 -16.390 1.00 49.57 ? 239 ALA A O 1 ATOM 1830 C CB . ALA A 1 241 ? -7.350 -25.177 -18.348 1.00 29.31 ? 239 ALA A CB 1 ATOM 1831 N N . ARG A 1 242 ? -7.069 -28.232 -17.977 1.00 44.20 ? 240 ARG A N 1 ATOM 1832 C CA . ARG A 1 242 ? -7.274 -29.528 -17.314 1.00 50.17 ? 240 ARG A CA 1 ATOM 1833 C C . ARG A 1 242 ? -5.965 -30.227 -17.037 1.00 48.13 ? 240 ARG A C 1 ATOM 1834 O O . ARG A 1 242 ? -5.760 -30.761 -15.957 1.00 62.89 ? 240 ARG A O 1 ATOM 1835 C CB . ARG A 1 242 ? -8.132 -30.461 -18.157 1.00 46.94 ? 240 ARG A CB 1 ATOM 1836 C CG . ARG A 1 242 ? -9.599 -30.176 -18.084 1.00 58.64 ? 240 ARG A CG 1 ATOM 1837 C CD . ARG A 1 242 ? -10.363 -31.219 -18.858 1.00 65.43 ? 240 ARG A CD 1 ATOM 1838 N NE . ARG A 1 242 ? -10.061 -32.564 -18.388 1.00 63.21 ? 240 ARG A NE 1 ATOM 1839 C CZ . ARG A 1 242 ? -10.701 -33.151 -17.387 1.00 66.24 ? 240 ARG A CZ 1 ATOM 1840 N NH1 . ARG A 1 242 ? -11.668 -32.488 -16.772 1.00 62.37 ? 240 ARG A NH1 1 ATOM 1841 N NH2 . ARG A 1 242 ? -10.385 -34.392 -17.009 1.00 71.24 ? 240 ARG A NH2 1 ATOM 1842 N N . ASN A 1 243 ? -5.086 -30.218 -18.027 1.00 45.79 ? 241 ASN A N 1 ATOM 1843 C CA . ASN A 1 243 ? -3.774 -30.817 -17.886 1.00 55.99 ? 241 ASN A CA 1 ATOM 1844 C C . ASN A 1 243 ? -3.033 -30.249 -16.678 1.00 57.02 ? 241 ASN A C 1 ATOM 1845 O O . ASN A 1 243 ? -2.447 -30.998 -15.885 1.00 52.33 ? 241 ASN A O 1 ATOM 1846 C CB . ASN A 1 243 ? -2.958 -30.607 -19.161 1.00 63.60 ? 241 ASN A CB 1 ATOM 1847 C CG . ASN A 1 243 ? -1.999 -31.738 -19.420 1.00 82.57 ? 241 ASN A CG 1 ATOM 1848 O OD1 . ASN A 1 243 ? -2.209 -32.855 -18.947 1.00 85.20 ? 241 ASN A OD1 1 ATOM 1849 N ND2 . ASN A 1 243 ? -0.941 -31.463 -20.176 1.00 109.51 ? 241 ASN A ND2 1 ATOM 1850 N N . ARG A 1 244 ? -3.076 -28.926 -16.545 1.00 50.33 ? 242 ARG A N 1 ATOM 1851 C CA . ARG A 1 244 ? -2.427 -28.240 -15.442 1.00 49.62 ? 242 ARG A CA 1 ATOM 1852 C C . ARG A 1 244 ? -3.042 -28.656 -14.122 1.00 50.76 ? 242 ARG A C 1 ATOM 1853 O O . ARG A 1 244 ? -2.337 -28.877 -13.146 1.00 61.11 ? 242 ARG A O 1 ATOM 1854 C CB . ARG A 1 244 ? -2.514 -26.720 -15.630 1.00 47.52 ? 242 ARG A CB 1 ATOM 1855 C CG . ARG A 1 244 ? -1.546 -26.237 -16.670 1.00 46.71 ? 242 ARG A CG 1 ATOM 1856 C CD . ARG A 1 244 ? -1.761 -24.806 -17.073 1.00 52.94 ? 242 ARG A CD 1 ATOM 1857 N NE . ARG A 1 244 ? -1.065 -24.525 -18.327 1.00 57.19 ? 242 ARG A NE 1 ATOM 1858 C CZ . ARG A 1 244 ? -0.757 -23.309 -18.763 1.00 48.26 ? 242 ARG A CZ 1 ATOM 1859 N NH1 . ARG A 1 244 ? -1.064 -22.242 -18.040 1.00 47.57 ? 242 ARG A NH1 1 ATOM 1860 N NH2 . ARG A 1 244 ? -0.126 -23.166 -19.915 1.00 47.32 ? 242 ARG A NH2 1 ATOM 1861 N N . THR A 1 245 ? -4.362 -28.776 -14.102 1.00 50.49 ? 243 THR A N 1 ATOM 1862 C CA . THR A 1 245 ? -5.064 -29.259 -12.921 1.00 48.74 ? 243 THR A CA 1 ATOM 1863 C C . THR A 1 245 ? -4.632 -30.674 -12.536 1.00 47.50 ? 243 THR A C 1 ATOM 1864 O O . THR A 1 245 ? -4.272 -30.920 -11.396 1.00 54.45 ? 243 THR A O 1 ATOM 1865 C CB . THR A 1 245 ? -6.581 -29.211 -13.122 1.00 51.35 ? 243 THR A CB 1 ATOM 1866 O OG1 . THR A 1 245 ? -6.983 -27.847 -13.292 1.00 51.19 ? 243 THR A OG1 1 ATOM 1867 C CG2 . THR A 1 245 ? -7.302 -29.818 -11.914 1.00 44.26 ? 243 THR A CG2 1 ATOM 1868 N N . LEU A 1 246 ? -4.661 -31.593 -13.494 1.00 49.21 ? 244 LEU A N 1 ATOM 1869 C CA . LEU A 1 246 ? -4.199 -32.959 -13.271 1.00 56.25 ? 244 LEU A CA 1 ATOM 1870 C C . LEU A 1 246 ? -2.757 -33.031 -12.745 1.00 60.04 ? 244 LEU A C 1 ATOM 1871 O O . LEU A 1 246 ? -2.423 -33.886 -11.912 1.00 57.70 ? 244 LEU A O 1 ATOM 1872 C CB . LEU A 1 246 ? -4.338 -33.781 -14.555 1.00 55.19 ? 244 LEU A CB 1 ATOM 1873 C CG . LEU A 1 246 ? -5.779 -34.040 -14.998 1.00 59.19 ? 244 LEU A CG 1 ATOM 1874 C CD1 . LEU A 1 246 ? -5.804 -34.817 -16.302 1.00 59.53 ? 244 LEU A CD1 1 ATOM 1875 C CD2 . LEU A 1 246 ? -6.554 -34.795 -13.916 1.00 50.92 ? 244 LEU A CD2 1 ATOM 1876 N N . ASN A 1 247 ? -1.906 -32.129 -13.222 1.00 57.07 ? 245 ASN A N 1 ATOM 1877 C CA . ASN A 1 247 ? -0.511 -32.131 -12.799 1.00 55.04 ? 245 ASN A CA 1 ATOM 1878 C C . ASN A 1 247 ? -0.337 -31.620 -11.375 1.00 54.47 ? 245 ASN A C 1 ATOM 1879 O O . ASN A 1 247 ? 0.468 -32.160 -10.597 1.00 52.09 ? 245 ASN A O 1 ATOM 1880 C CB . ASN A 1 247 ? 0.344 -31.329 -13.771 1.00 52.93 ? 245 ASN A CB 1 ATOM 1881 C CG . ASN A 1 247 ? 0.537 -32.046 -15.077 1.00 52.66 ? 245 ASN A CG 1 ATOM 1882 O OD1 . ASN A 1 247 ? 0.500 -33.279 -15.123 1.00 60.88 ? 245 ASN A OD1 1 ATOM 1883 N ND2 . ASN A 1 247 ? 0.757 -31.292 -16.147 1.00 42.72 ? 245 ASN A ND2 1 ATOM 1884 N N . LEU A 1 248 ? -1.099 -30.582 -11.043 1.00 43.23 ? 246 LEU A N 1 ATOM 1885 C CA . LEU A 1 248 ? -1.113 -30.049 -9.691 1.00 47.60 ? 246 LEU A CA 1 ATOM 1886 C C . LEU A 1 248 ? -1.529 -31.135 -8.691 1.00 49.29 ? 246 LEU A C 1 ATOM 1887 O O . LEU A 1 248 ? -0.924 -31.289 -7.628 1.00 57.35 ? 246 LEU A O 1 ATOM 1888 C CB . LEU A 1 248 ? -2.047 -28.843 -9.610 1.00 43.38 ? 246 LEU A CB 1 ATOM 1889 C CG . LEU A 1 248 ? -2.072 -28.231 -8.217 1.00 40.53 ? 246 LEU A CG 1 ATOM 1890 C CD1 . LEU A 1 248 ? -0.725 -27.599 -7.896 1.00 41.04 ? 246 LEU A CD1 1 ATOM 1891 C CD2 . LEU A 1 248 ? -3.188 -27.229 -8.116 1.00 36.46 ? 246 LEU A CD2 1 ATOM 1892 N N . ALA A 1 249 ? -2.551 -31.901 -9.061 1.00 51.81 ? 247 ALA A N 1 ATOM 1893 C CA . ALA A 1 249 ? -2.985 -33.073 -8.298 1.00 50.50 ? 247 ALA A CA 1 ATOM 1894 C C . ALA A 1 249 ? -1.855 -34.083 -8.075 1.00 53.74 ? 247 ALA A C 1 ATOM 1895 O O . ALA A 1 249 ? -1.688 -34.604 -6.975 1.00 57.71 ? 247 ALA A O 1 ATOM 1896 C CB . ALA A 1 249 ? -4.161 -33.748 -8.999 1.00 48.46 ? 247 ALA A CB 1 ATOM 1897 N N . LYS A 1 250 ? -1.093 -34.370 -9.123 1.00 57.39 ? 248 LYS A N 1 ATOM 1898 C CA . LYS A 1 250 ? 0.029 -35.300 -9.009 1.00 64.00 ? 248 LYS A CA 1 ATOM 1899 C C . LYS A 1 250 ? 1.098 -34.753 -8.052 1.00 64.61 ? 248 LYS A C 1 ATOM 1900 O O . LYS A 1 250 ? 1.531 -35.440 -7.124 1.00 64.26 ? 248 LYS A O 1 ATOM 1901 C CB . LYS A 1 250 ? 0.624 -35.585 -10.393 1.00 61.61 ? 248 LYS A CB 1 ATOM 1902 C CG . LYS A 1 250 ? 1.900 -36.401 -10.379 1.00 72.57 ? 248 LYS A CG 1 ATOM 1903 C CD . LYS A 1 250 ? 2.390 -36.692 -11.797 1.00 80.07 ? 248 LYS A CD 1 ATOM 1904 C CE . LYS A 1 250 ? 3.668 -37.534 -11.801 1.00 86.56 ? 248 LYS A CE 1 ATOM 1905 N NZ . LYS A 1 250 ? 3.494 -38.895 -11.190 1.00 85.15 ? 248 LYS A NZ 1 ATOM 1906 N N . LEU A 1 251 ? 1.498 -33.507 -8.274 1.00 62.42 ? 249 LEU A N 1 ATOM 1907 C CA . LEU A 1 251 ? 2.497 -32.837 -7.443 1.00 61.29 ? 249 LEU A CA 1 ATOM 1908 C C . LEU A 1 251 ? 2.150 -32.801 -5.950 1.00 63.82 ? 249 LEU A C 1 ATOM 1909 O O . LEU A 1 251 ? 3.040 -32.760 -5.107 1.00 55.03 ? 249 LEU A O 1 ATOM 1910 C CB . LEU A 1 251 ? 2.699 -31.404 -7.940 1.00 50.35 ? 249 LEU A CB 1 ATOM 1911 C CG . LEU A 1 251 ? 3.345 -31.263 -9.312 1.00 51.06 ? 249 LEU A CG 1 ATOM 1912 C CD1 . LEU A 1 251 ? 3.009 -29.914 -9.940 1.00 50.90 ? 249 LEU A CD1 1 ATOM 1913 C CD2 . LEU A 1 251 ? 4.837 -31.437 -9.164 1.00 47.54 ? 249 LEU A CD2 1 ATOM 1914 N N . THR A 1 252 ? 0.859 -32.792 -5.632 1.00 68.58 ? 250 THR A N 1 ATOM 1915 C CA . THR A 1 252 ? 0.409 -32.640 -4.253 1.00 64.94 ? 250 THR A CA 1 ATOM 1916 C C . THR A 1 252 ? -0.105 -33.949 -3.655 1.00 67.46 ? 250 THR A C 1 ATOM 1917 O O . THR A 1 252 ? -0.555 -33.978 -2.515 1.00 72.30 ? 250 THR A O 1 ATOM 1918 C CB . THR A 1 252 ? -0.713 -31.597 -4.157 1.00 64.39 ? 250 THR A CB 1 ATOM 1919 O OG1 . THR A 1 252 ? -1.766 -31.960 -5.052 1.00 62.84 ? 250 THR A OG1 1 ATOM 1920 C CG2 . THR A 1 252 ? -0.199 -30.221 -4.535 1.00 66.65 ? 250 THR A CG2 1 ATOM 1921 N N . GLY A 1 253 ? -0.046 -35.027 -4.429 1.00 71.13 ? 251 GLY A N 1 ATOM 1922 C CA . GLY A 1 253 ? -0.551 -36.318 -3.988 1.00 69.99 ? 251 GLY A CA 1 ATOM 1923 C C . GLY A 1 253 ? -2.069 -36.396 -3.900 1.00 70.36 ? 251 GLY A C 1 ATOM 1924 O O . GLY A 1 253 ? -2.603 -37.079 -3.028 1.00 66.00 ? 251 GLY A O 1 ATOM 1925 N N . CYS A 1 254 ? -2.763 -35.703 -4.803 1.00 69.15 ? 252 CYS A N 1 ATOM 1926 C CA . CYS A 1 254 ? -4.224 -35.684 -4.811 1.00 64.58 ? 252 CYS A CA 1 ATOM 1927 C C . CYS A 1 254 ? -4.807 -36.317 -6.065 1.00 64.70 ? 252 CYS A C 1 ATOM 1928 O O . CYS A 1 254 ? -6.005 -36.202 -6.328 1.00 67.67 ? 252 CYS A O 1 ATOM 1929 C CB . CYS A 1 254 ? -4.748 -34.255 -4.680 1.00 63.76 ? 252 CYS A CB 1 ATOM 1930 S SG . CYS A 1 254 ? -4.500 -33.505 -3.067 1.00 69.48 ? 252 CYS A SG 1 ATOM 1931 N N . SER A 1 255 ? -3.954 -36.972 -6.841 1.00 64.67 ? 253 SER A N 1 ATOM 1932 C CA . SER A 1 255 ? -4.398 -37.718 -8.011 1.00 72.61 ? 253 SER A CA 1 ATOM 1933 C C . SER A 1 255 ? -5.323 -38.862 -7.583 1.00 75.70 ? 253 SER A C 1 ATOM 1934 O O . SER A 1 255 ? -4.943 -39.702 -6.769 1.00 68.66 ? 253 SER A O 1 ATOM 1935 C CB . SER A 1 255 ? -3.185 -38.256 -8.776 1.00 73.86 ? 253 SER A CB 1 ATOM 1936 O OG . SER A 1 255 ? -3.582 -39.128 -9.816 1.00 79.22 ? 253 SER A OG 1 ATOM 1937 N N . ARG A 1 256 ? -6.544 -38.879 -8.115 1.00 81.00 ? 254 ARG A N 1 ATOM 1938 C CA . ARG A 1 256 ? -7.538 -39.879 -7.715 1.00 79.82 ? 254 ARG A CA 1 ATOM 1939 C C . ARG A 1 256 ? -8.270 -40.473 -8.897 1.00 80.69 ? 254 ARG A C 1 ATOM 1940 O O . ARG A 1 256 ? -8.141 -40.001 -10.030 1.00 73.45 ? 254 ARG A O 1 ATOM 1941 C CB . ARG A 1 256 ? -8.600 -39.269 -6.796 1.00 75.24 ? 254 ARG A CB 1 ATOM 1942 C CG . ARG A 1 256 ? -8.118 -38.806 -5.447 1.00 69.56 ? 254 ARG A CG 1 ATOM 1943 C CD . ARG A 1 256 ? -7.918 -39.961 -4.510 1.00 67.55 ? 254 ARG A CD 1 ATOM 1944 N NE . ARG A 1 256 ? -7.398 -39.510 -3.226 1.00 70.84 ? 254 ARG A NE 1 ATOM 1945 C CZ . ARG A 1 256 ? -6.126 -39.196 -3.015 1.00 73.51 ? 254 ARG A CZ 1 ATOM 1946 N NH1 . ARG A 1 256 ? -5.246 -39.287 -4.007 1.00 75.90 ? 254 ARG A NH1 1 ATOM 1947 N NH2 . ARG A 1 256 ? -5.732 -38.792 -1.814 1.00 70.54 ? 254 ARG A NH2 1 ATOM 1948 N N . GLU A 1 257 ? -9.064 -41.499 -8.595 1.00 89.26 ? 255 GLU A N 1 ATOM 1949 C CA . GLU A 1 257 ? -9.988 -42.110 -9.542 1.00 90.17 ? 255 GLU A CA 1 ATOM 1950 C C . GLU A 1 257 ? -10.776 -41.048 -10.306 1.00 79.34 ? 255 GLU A C 1 ATOM 1951 O O . GLU A 1 257 ? -10.504 -40.781 -11.475 1.00 78.98 ? 255 GLU A O 1 ATOM 1952 C CB . GLU A 1 257 ? -10.969 -43.014 -8.793 1.00 98.05 ? 255 GLU A CB 1 ATOM 1953 C CG . GLU A 1 257 ? -10.318 -44.037 -7.885 1.00 107.00 ? 255 GLU A CG 1 ATOM 1954 C CD . GLU A 1 257 ? -10.077 -45.366 -8.579 1.00 114.81 ? 255 GLU A CD 1 ATOM 1955 O OE1 . GLU A 1 257 ? -9.949 -45.376 -9.824 1.00 110.54 ? 255 GLU A OE1 1 ATOM 1956 O OE2 . GLU A 1 257 ? -10.024 -46.402 -7.877 1.00 121.16 ? 255 GLU A OE2 1 ATOM 1957 N N . ASN A 1 258 ? -11.749 -40.438 -9.634 1.00 66.03 ? 256 ASN A N 1 ATOM 1958 C CA . ASN A 1 258 ? -12.598 -39.449 -10.274 1.00 68.03 ? 256 ASN A CA 1 ATOM 1959 C C . ASN A 1 258 ? -12.225 -38.009 -9.911 1.00 64.39 ? 256 ASN A C 1 ATOM 1960 O O . ASN A 1 258 ? -11.361 -37.767 -9.064 1.00 60.05 ? 256 ASN A O 1 ATOM 1961 C CB . ASN A 1 258 ? -14.082 -39.747 -10.014 1.00 74.79 ? 256 ASN A CB 1 ATOM 1962 C CG . ASN A 1 258 ? -14.415 -39.841 -8.541 1.00 85.46 ? 256 ASN A CG 1 ATOM 1963 O OD1 . ASN A 1 258 ? -13.866 -39.104 -7.730 1.00 89.09 ? 256 ASN A OD1 1 ATOM 1964 N ND2 . ASN A 1 258 ? -15.327 -40.747 -8.188 1.00 92.80 ? 256 ASN A ND2 1 ATOM 1965 N N . GLU A 1 259 ? -12.876 -37.057 -10.562 1.00 64.61 ? 257 GLU A N 1 ATOM 1966 C CA . GLU A 1 259 ? -12.505 -35.655 -10.411 1.00 65.71 ? 257 GLU A CA 1 ATOM 1967 C C . GLU A 1 259 ? -12.851 -35.106 -9.049 1.00 63.70 ? 257 GLU A C 1 ATOM 1968 O O . GLU A 1 259 ? -12.085 -34.352 -8.454 1.00 69.87 ? 257 GLU A O 1 ATOM 1969 C CB . GLU A 1 259 ? -13.193 -34.808 -11.470 1.00 69.38 ? 257 GLU A CB 1 ATOM 1970 C CG . GLU A 1 259 ? -12.706 -35.089 -12.864 1.00 72.27 ? 257 GLU A CG 1 ATOM 1971 C CD . GLU A 1 259 ? -13.335 -34.173 -13.874 1.00 70.11 ? 257 GLU A CD 1 ATOM 1972 O OE1 . GLU A 1 259 ? -14.185 -33.346 -13.476 1.00 66.99 ? 257 GLU A OE1 1 ATOM 1973 O OE2 . GLU A 1 259 ? -12.976 -34.284 -15.064 1.00 71.99 ? 257 GLU A OE2 1 ATOM 1974 N N . THR A 1 260 ? -14.021 -35.474 -8.565 1.00 68.10 ? 258 THR A N 1 ATOM 1975 C CA . THR A 1 260 ? -14.508 -34.936 -7.311 1.00 79.84 ? 258 THR A CA 1 ATOM 1976 C C . THR A 1 260 ? -13.670 -35.426 -6.131 1.00 79.93 ? 258 THR A C 1 ATOM 1977 O O . THR A 1 260 ? -13.629 -34.787 -5.085 1.00 77.66 ? 258 THR A O 1 ATOM 1978 C CB . THR A 1 260 ? -15.996 -35.260 -7.123 1.00 92.14 ? 258 THR A CB 1 ATOM 1979 O OG1 . THR A 1 260 ? -16.699 -34.921 -8.324 1.00 95.60 ? 258 THR A OG1 1 ATOM 1980 C CG2 . THR A 1 260 ? -16.580 -34.462 -5.971 1.00 95.05 ? 258 THR A CG2 1 ATOM 1981 N N . GLU A 1 261 ? -12.983 -36.550 -6.299 1.00 84.56 ? 259 GLU A N 1 ATOM 1982 C CA . GLU A 1 261 ? -12.074 -37.011 -5.255 1.00 82.77 ? 259 GLU A CA 1 ATOM 1983 C C . GLU A 1 261 ? -10.785 -36.200 -5.286 1.00 70.37 ? 259 GLU A C 1 ATOM 1984 O O . GLU A 1 261 ? -10.212 -35.881 -4.245 1.00 66.41 ? 259 GLU A O 1 ATOM 1985 C CB . GLU A 1 261 ? -11.781 -38.507 -5.383 1.00 89.87 ? 259 GLU A CB 1 ATOM 1986 C CG . GLU A 1 261 ? -12.892 -39.412 -4.857 1.00 101.53 ? 259 GLU A CG 1 ATOM 1987 C CD . GLU A 1 261 ? -13.283 -39.099 -3.424 1.00 106.79 ? 259 GLU A CD 1 ATOM 1988 O OE1 . GLU A 1 261 ? -12.454 -39.326 -2.515 1.00 110.74 ? 259 GLU A OE1 1 ATOM 1989 O OE2 . GLU A 1 261 ? -14.420 -38.627 -3.208 1.00 103.74 ? 259 GLU A OE2 1 ATOM 1990 N N . ILE A 1 262 ? -10.334 -35.870 -6.490 1.00 63.49 ? 260 ILE A N 1 ATOM 1991 C CA . ILE A 1 262 ? -9.183 -34.997 -6.662 1.00 61.03 ? 260 ILE A CA 1 ATOM 1992 C C . ILE A 1 262 ? -9.404 -33.647 -5.964 1.00 60.47 ? 260 ILE A C 1 ATOM 1993 O O . ILE A 1 262 ? -8.563 -33.201 -5.178 1.00 55.54 ? 260 ILE A O 1 ATOM 1994 C CB . ILE A 1 262 ? -8.885 -34.768 -8.155 1.00 61.11 ? 260 ILE A CB 1 ATOM 1995 C CG1 . ILE A 1 262 ? -8.500 -36.094 -8.819 1.00 68.58 ? 260 ILE A CG1 1 ATOM 1996 C CG2 . ILE A 1 262 ? -7.798 -33.711 -8.331 1.00 55.37 ? 260 ILE A CG2 1 ATOM 1997 C CD1 . ILE A 1 262 ? -8.389 -36.019 -10.323 1.00 65.97 ? 260 ILE A CD1 1 ATOM 1998 N N . ILE A 1 263 ? -10.539 -33.006 -6.242 1.00 60.00 ? 261 ILE A N 1 ATOM 1999 C CA . ILE A 1 263 ? -10.855 -31.728 -5.611 1.00 55.22 ? 261 ILE A CA 1 ATOM 2000 C C . ILE A 1 263 ? -10.975 -31.899 -4.107 1.00 55.11 ? 261 ILE A C 1 ATOM 2001 O O . ILE A 1 263 ? -10.510 -31.059 -3.333 1.00 59.26 ? 261 ILE A O 1 ATOM 2002 C CB . ILE A 1 263 ? -12.146 -31.113 -6.163 1.00 56.38 ? 261 ILE A CB 1 ATOM 2003 C CG1 . ILE A 1 263 ? -12.041 -30.955 -7.676 1.00 52.66 ? 261 ILE A CG1 1 ATOM 2004 C CG2 . ILE A 1 263 ? -12.382 -29.755 -5.538 1.00 59.82 ? 261 ILE A CG2 1 ATOM 2005 C CD1 . ILE A 1 263 ? -10.835 -30.136 -8.109 1.00 47.31 ? 261 ILE A CD1 1 ATOM 2006 N N . LYS A 1 264 ? -11.588 -33.008 -3.711 1.00 59.02 ? 262 LYS A N 1 ATOM 2007 C CA . LYS A 1 264 ? -11.755 -33.374 -2.312 1.00 59.87 ? 262 LYS A CA 1 ATOM 2008 C C . LYS A 1 264 ? -10.414 -33.393 -1.590 1.00 60.91 ? 262 LYS A C 1 ATOM 2009 O O . LYS A 1 264 ? -10.295 -32.876 -0.480 1.00 67.78 ? 262 LYS A O 1 ATOM 2010 C CB . LYS A 1 264 ? -12.435 -34.746 -2.211 1.00 64.77 ? 262 LYS A CB 1 ATOM 2011 C CG . LYS A 1 264 ? -12.687 -35.266 -0.786 1.00 71.42 ? 262 LYS A CG 1 ATOM 2012 C CD . LYS A 1 264 ? -13.219 -36.707 -0.801 1.00 64.48 ? 262 LYS A CD 1 ATOM 2013 C CE . LYS A 1 264 ? -13.875 -37.095 0.523 1.00 67.38 ? 262 LYS A CE 1 ATOM 2014 N NZ . LYS A 1 264 ? -14.223 -38.558 0.597 1.00 67.55 ? 262 LYS A NZ 1 ATOM 2015 N N . CYS A 1 265 ? -9.406 -33.984 -2.221 1.00 55.07 ? 263 CYS A N 1 ATOM 2016 C CA . CYS A 1 265 ? -8.080 -34.046 -1.619 1.00 58.13 ? 263 CYS A CA 1 ATOM 2017 C C . CYS A 1 265 ? -7.399 -32.670 -1.615 1.00 57.47 ? 263 CYS A C 1 ATOM 2018 O O . CYS A 1 265 ? -6.717 -32.315 -0.652 1.00 60.44 ? 263 CYS A O 1 ATOM 2019 C CB . CYS A 1 265 ? -7.211 -35.122 -2.296 1.00 59.24 ? 263 CYS A CB 1 ATOM 2020 S SG . CYS A 1 265 ? -5.429 -34.989 -1.986 1.00 100.54 ? 263 CYS A SG 1 ATOM 2021 N N . LEU A 1 266 ? -7.603 -31.896 -2.679 1.00 56.17 ? 264 LEU A N 1 ATOM 2022 C CA . LEU A 1 266 ? -7.012 -30.556 -2.792 1.00 54.12 ? 264 LEU A CA 1 ATOM 2023 C C . LEU A 1 266 ? -7.596 -29.565 -1.795 1.00 55.12 ? 264 LEU A C 1 ATOM 2024 O O . LEU A 1 266 ? -6.951 -28.585 -1.431 1.00 55.78 ? 264 LEU A O 1 ATOM 2025 C CB . LEU A 1 266 ? -7.150 -30.012 -4.219 1.00 44.94 ? 264 LEU A CB 1 ATOM 2026 C CG . LEU A 1 266 ? -6.177 -30.633 -5.220 1.00 45.55 ? 264 LEU A CG 1 ATOM 2027 C CD1 . LEU A 1 266 ? -6.506 -30.167 -6.612 1.00 44.12 ? 264 LEU A CD1 1 ATOM 2028 C CD2 . LEU A 1 266 ? -4.722 -30.324 -4.871 1.00 42.51 ? 264 LEU A CD2 1 ATOM 2029 N N . ARG A 1 267 ? -8.823 -29.820 -1.363 1.00 55.33 ? 265 ARG A N 1 ATOM 2030 C CA . ARG A 1 267 ? -9.451 -29.001 -0.331 1.00 53.58 ? 265 ARG A CA 1 ATOM 2031 C C . ARG A 1 267 ? -8.852 -29.228 1.066 1.00 57.51 ? 265 ARG A C 1 ATOM 2032 O O . ARG A 1 267 ? -9.067 -28.418 1.971 1.00 61.41 ? 265 ARG A O 1 ATOM 2033 C CB . ARG A 1 267 ? -10.965 -29.233 -0.306 1.00 48.84 ? 265 ARG A CB 1 ATOM 2034 C CG . ARG A 1 267 ? -11.697 -28.612 -1.477 1.00 51.45 ? 265 ARG A CG 1 ATOM 2035 C CD . ARG A 1 267 ? -13.167 -28.476 -1.175 1.00 53.20 ? 265 ARG A CD 1 ATOM 2036 N NE . ARG A 1 267 ? -13.854 -27.711 -2.207 1.00 56.35 ? 265 ARG A NE 1 ATOM 2037 C CZ . ARG A 1 267 ? -14.603 -28.251 -3.161 1.00 58.03 ? 265 ARG A CZ 1 ATOM 2038 N NH1 . ARG A 1 267 ? -14.761 -29.565 -3.205 1.00 60.69 ? 265 ARG A NH1 1 ATOM 2039 N NH2 . ARG A 1 267 ? -15.194 -27.477 -4.070 1.00 55.66 ? 265 ARG A NH2 1 ATOM 2040 N N . ASN A 1 268 ? -8.105 -30.319 1.237 1.00 51.24 ? 266 ASN A N 1 ATOM 2041 C CA . ASN A 1 268 ? -7.444 -30.613 2.511 1.00 55.22 ? 266 ASN A CA 1 ATOM 2042 C C . ASN A 1 268 ? -6.004 -30.123 2.604 1.00 63.74 ? 266 ASN A C 1 ATOM 2043 O O . ASN A 1 268 ? -5.377 -30.238 3.654 1.00 72.72 ? 266 ASN A O 1 ATOM 2044 C CB . ASN A 1 268 ? -7.477 -32.113 2.812 1.00 65.42 ? 266 ASN A CB 1 ATOM 2045 C CG . ASN A 1 268 ? -8.777 -32.551 3.461 1.00 82.26 ? 266 ASN A CG 1 ATOM 2046 O OD1 . ASN A 1 268 ? -9.847 -31.995 3.183 1.00 81.73 ? 266 ASN A OD1 1 ATOM 2047 N ND2 . ASN A 1 268 ? -8.692 -33.548 4.343 1.00 90.13 ? 266 ASN A ND2 1 ATOM 2048 N N . LYS A 1 269 ? -5.473 -29.596 1.505 1.00 58.27 ? 267 LYS A N 1 ATOM 2049 C CA . LYS A 1 269 ? -4.101 -29.100 1.491 1.00 56.86 ? 267 LYS A CA 1 ATOM 2050 C C . LYS A 1 269 ? -3.999 -27.690 2.081 1.00 49.80 ? 267 LYS A C 1 ATOM 2051 O O . LYS A 1 269 ? -4.939 -26.906 1.977 1.00 47.27 ? 267 LYS A O 1 ATOM 2052 C CB . LYS A 1 269 ? -3.542 -29.139 0.067 1.00 45.78 ? 267 LYS A CB 1 ATOM 2053 C CG . LYS A 1 269 ? -3.595 -30.531 -0.553 1.00 55.97 ? 267 LYS A CG 1 ATOM 2054 C CD . LYS A 1 269 ? -2.581 -31.496 0.087 1.00 54.18 ? 267 LYS A CD 1 ATOM 2055 C CE . LYS A 1 269 ? -3.146 -32.908 0.183 1.00 66.89 ? 267 LYS A CE 1 ATOM 2056 N NZ . LYS A 1 269 ? -2.107 -33.940 0.484 1.00 72.25 ? 267 LYS A NZ 1 ATOM 2057 N N . ASP A 1 270 ? -2.874 -27.387 2.728 1.00 52.21 ? 268 ASP A N 1 ATOM 2058 C CA . ASP A 1 270 ? -2.588 -26.027 3.176 1.00 56.00 ? 268 ASP A CA 1 ATOM 2059 C C . ASP A 1 270 ? -2.524 -25.176 1.927 1.00 58.88 ? 268 ASP A C 1 ATOM 2060 O O . ASP A 1 270 ? -2.067 -25.659 0.887 1.00 66.01 ? 268 ASP A O 1 ATOM 2061 C CB . ASP A 1 270 ? -1.228 -25.952 3.891 1.00 70.85 ? 268 ASP A CB 1 ATOM 2062 C CG . ASP A 1 270 ? -1.284 -26.433 5.339 1.00 94.63 ? 268 ASP A CG 1 ATOM 2063 O OD1 . ASP A 1 270 ? -2.364 -26.339 5.963 1.00 101.93 ? 268 ASP A OD1 1 ATOM 2064 O OD2 . ASP A 1 270 ? -0.239 -26.893 5.862 1.00 98.28 ? 268 ASP A OD2 1 ATOM 2065 N N . PRO A 1 271 ? -2.969 -23.910 2.013 1.00 61.66 ? 269 PRO A N 1 ATOM 2066 C CA . PRO A 1 271 ? -2.882 -23.019 0.848 1.00 58.72 ? 269 PRO A CA 1 ATOM 2067 C C . PRO A 1 271 ? -1.450 -22.953 0.348 1.00 57.60 ? 269 PRO A C 1 ATOM 2068 O O . PRO A 1 271 ? -1.227 -22.915 -0.861 1.00 60.62 ? 269 PRO A O 1 ATOM 2069 C CB . PRO A 1 271 ? -3.304 -21.651 1.410 1.00 57.51 ? 269 PRO A CB 1 ATOM 2070 C CG . PRO A 1 271 ? -4.161 -21.970 2.589 1.00 58.21 ? 269 PRO A CG 1 ATOM 2071 C CD . PRO A 1 271 ? -3.606 -23.256 3.170 1.00 62.90 ? 269 PRO A CD 1 ATOM 2072 N N . GLN A 1 272 ? -0.498 -22.961 1.278 1.00 57.03 ? 270 GLN A N 1 ATOM 2073 C CA . GLN A 1 272 ? 0.918 -22.863 0.935 1.00 64.50 ? 270 GLN A CA 1 ATOM 2074 C C . GLN A 1 272 ? 1.390 -24.043 0.111 1.00 58.24 ? 270 GLN A C 1 ATOM 2075 O O . GLN A 1 272 ? 2.207 -23.879 -0.784 1.00 58.97 ? 270 GLN A O 1 ATOM 2076 C CB . GLN A 1 272 ? 1.788 -22.728 2.191 1.00 78.21 ? 270 GLN A CB 1 ATOM 2077 C CG . GLN A 1 272 ? 1.589 -21.421 2.946 1.00 93.62 ? 270 GLN A CG 1 ATOM 2078 C CD . GLN A 1 272 ? 1.799 -20.194 2.065 1.00 102.60 ? 270 GLN A CD 1 ATOM 2079 O OE1 . GLN A 1 272 ? 2.696 -20.166 1.218 1.00 101.93 ? 270 GLN A OE1 1 ATOM 2080 N NE2 . GLN A 1 272 ? 0.963 -19.174 2.261 1.00 105.92 ? 270 GLN A NE2 1 ATOM 2081 N N . GLU A 1 273 ? 0.886 -25.233 0.425 1.00 60.22 ? 271 GLU A N 1 ATOM 2082 C CA . GLU A 1 273 ? 1.267 -26.431 -0.309 1.00 62.26 ? 271 GLU A CA 1 ATOM 2083 C C . GLU A 1 273 ? 0.798 -26.331 -1.758 1.00 60.23 ? 271 GLU A C 1 ATOM 2084 O O . GLU A 1 273 ? 1.531 -26.672 -2.681 1.00 65.18 ? 271 GLU A O 1 ATOM 2085 C CB . GLU A 1 273 ? 0.720 -27.687 0.369 1.00 70.80 ? 271 GLU A CB 1 ATOM 2086 C CG . GLU A 1 273 ? 1.508 -28.106 1.605 1.00 84.91 ? 271 GLU A CG 1 ATOM 2087 C CD . GLU A 1 273 ? 0.793 -29.160 2.435 1.00 93.71 ? 271 GLU A CD 1 ATOM 2088 O OE1 . GLU A 1 273 ? -0.416 -28.984 2.706 1.00 88.44 ? 271 GLU A OE1 1 ATOM 2089 O OE2 . GLU A 1 273 ? 1.439 -30.162 2.819 1.00 102.54 ? 271 GLU A OE2 1 ATOM 2090 N N . ILE A 1 274 ? -0.421 -25.847 -1.954 1.00 50.83 ? 272 ILE A N 1 ATOM 2091 C CA . ILE A 1 274 ? -0.936 -25.617 -3.296 1.00 50.78 ? 272 ILE A CA 1 ATOM 2092 C C . ILE A 1 274 ? -0.143 -24.523 -4.012 1.00 55.29 ? 272 ILE A C 1 ATOM 2093 O O . ILE A 1 274 ? 0.229 -24.679 -5.170 1.00 59.14 ? 272 ILE A O 1 ATOM 2094 C CB . ILE A 1 274 ? -2.435 -25.247 -3.260 1.00 48.24 ? 272 ILE A CB 1 ATOM 2095 C CG1 . ILE A 1 274 ? -3.275 -26.502 -3.008 1.00 54.79 ? 272 ILE A CG1 1 ATOM 2096 C CG2 . ILE A 1 274 ? -2.866 -24.594 -4.563 1.00 36.65 ? 272 ILE A CG2 1 ATOM 2097 C CD1 . ILE A 1 274 ? -4.751 -26.221 -2.855 1.00 57.60 ? 272 ILE A CD1 1 ATOM 2098 N N . LEU A 1 275 ? 0.118 -23.430 -3.301 1.00 55.49 ? 273 LEU A N 1 ATOM 2099 C CA . LEU A 1 275 ? 0.788 -22.250 -3.842 1.00 53.09 ? 273 LEU A CA 1 ATOM 2100 C C . LEU A 1 275 ? 2.209 -22.562 -4.289 1.00 54.68 ? 273 LEU A C 1 ATOM 2101 O O . LEU A 1 275 ? 2.657 -22.087 -5.325 1.00 46.77 ? 273 LEU A O 1 ATOM 2102 C CB . LEU A 1 275 ? 0.840 -21.169 -2.764 1.00 55.97 ? 273 LEU A CB 1 ATOM 2103 C CG . LEU A 1 275 ? 0.365 -19.748 -3.029 1.00 55.02 ? 273 LEU A CG 1 ATOM 2104 C CD1 . LEU A 1 275 ? -1.019 -19.768 -3.605 1.00 51.63 ? 273 LEU A CD1 1 ATOM 2105 C CD2 . LEU A 1 275 ? 0.376 -18.958 -1.714 1.00 53.86 ? 273 LEU A CD2 1 ATOM 2106 N N . LEU A 1 276 ? 2.921 -23.361 -3.499 1.00 59.72 ? 274 LEU A N 1 ATOM 2107 C CA . LEU A 1 276 ? 4.311 -23.694 -3.806 1.00 60.43 ? 274 LEU A CA 1 ATOM 2108 C C . LEU A 1 276 ? 4.475 -24.656 -4.992 1.00 55.32 ? 274 LEU A C 1 ATOM 2109 O O . LEU A 1 276 ? 5.581 -24.838 -5.499 1.00 53.59 ? 274 LEU A O 1 ATOM 2110 C CB . LEU A 1 276 ? 5.022 -24.252 -2.568 1.00 67.09 ? 274 LEU A CB 1 ATOM 2111 C CG . LEU A 1 276 ? 5.316 -23.270 -1.421 1.00 68.31 ? 274 LEU A CG 1 ATOM 2112 C CD1 . LEU A 1 276 ? 6.257 -23.900 -0.401 0.69 69.83 ? 274 LEU A CD1 1 ATOM 2113 C CD2 . LEU A 1 276 ? 5.880 -21.946 -1.936 0.88 54.55 ? 274 LEU A CD2 1 ATOM 2114 N N . ASN A 1 277 ? 3.378 -25.259 -5.437 1.00 55.76 ? 275 ASN A N 1 ATOM 2115 C CA . ASN A 1 277 ? 3.428 -26.211 -6.549 1.00 58.77 ? 275 ASN A CA 1 ATOM 2116 C C . ASN A 1 277 ? 2.962 -25.669 -7.896 1.00 51.19 ? 275 ASN A C 1 ATOM 2117 O O . ASN A 1 277 ? 3.191 -26.300 -8.922 1.00 55.57 ? 275 ASN A O 1 ATOM 2118 C CB . ASN A 1 277 ? 2.621 -27.463 -6.223 1.00 59.68 ? 275 ASN A CB 1 ATOM 2119 C CG . ASN A 1 277 ? 3.384 -28.433 -5.379 1.00 58.94 ? 275 ASN A CG 1 ATOM 2120 O OD1 . ASN A 1 277 ? 2.935 -28.811 -4.307 1.00 66.40 ? 275 ASN A OD1 1 ATOM 2121 N ND2 . ASN A 1 277 ? 4.547 -28.853 -5.859 1.00 61.61 ? 275 ASN A ND2 1 ATOM 2122 N N . GLU A 1 278 ? 2.302 -24.515 -7.877 1.00 43.98 ? 276 GLU A N 1 ATOM 2123 C CA . GLU A 1 278 ? 1.762 -23.885 -9.079 1.00 50.15 ? 276 GLU A CA 1 ATOM 2124 C C . GLU A 1 278 ? 2.773 -23.747 -10.222 1.00 52.45 ? 276 GLU A C 1 ATOM 2125 O O . GLU A 1 278 ? 2.410 -23.848 -11.398 1.00 56.20 ? 276 GLU A O 1 ATOM 2126 C CB . GLU A 1 278 ? 1.201 -22.498 -8.740 1.00 45.49 ? 276 GLU A CB 1 ATOM 2127 C CG . GLU A 1 278 ? -0.107 -22.527 -7.963 1.00 49.88 ? 276 GLU A CG 1 ATOM 2128 C CD . GLU A 1 278 ? -0.714 -21.138 -7.769 1.00 54.67 ? 276 GLU A CD 1 ATOM 2129 O OE1 . GLU A 1 278 ? -0.191 -20.153 -8.343 1.00 54.65 ? 276 GLU A OE1 1 ATOM 2130 O OE2 . GLU A 1 278 ? -1.715 -21.034 -7.031 1.00 57.51 ? 276 GLU A OE2 1 ATOM 2131 N N . ALA A 1 279 ? 4.034 -23.514 -9.874 1.00 41.65 ? 277 ALA A N 1 ATOM 2132 C CA . ALA A 1 279 ? 5.054 -23.223 -10.872 1.00 52.82 ? 277 ALA A CA 1 ATOM 2133 C C . ALA A 1 279 ? 5.585 -24.463 -11.599 1.00 56.61 ? 277 ALA A C 1 ATOM 2134 O O . ALA A 1 279 ? 6.445 -24.353 -12.470 1.00 62.11 ? 277 ALA A O 1 ATOM 2135 C CB . ALA A 1 279 ? 6.201 -22.440 -10.235 1.00 57.06 ? 277 ALA A CB 1 ATOM 2136 N N . PHE A 1 280 ? 5.070 -25.638 -11.253 1.00 49.86 ? 278 PHE A N 1 ATOM 2137 C CA . PHE A 1 280 ? 5.572 -26.879 -11.847 1.00 52.96 ? 278 PHE A CA 1 ATOM 2138 C C . PHE A 1 280 ? 4.530 -27.607 -12.683 1.00 54.25 ? 278 PHE A C 1 ATOM 2139 O O . PHE A 1 280 ? 4.800 -28.698 -13.187 1.00 55.83 ? 278 PHE A O 1 ATOM 2140 C CB . PHE A 1 280 ? 6.127 -27.837 -10.771 1.00 50.01 ? 278 PHE A CB 1 ATOM 2141 C CG . PHE A 1 280 ? 7.198 -27.228 -9.916 1.00 55.09 ? 278 PHE A CG 1 ATOM 2142 C CD1 . PHE A 1 280 ? 8.522 -27.239 -10.327 1.00 59.92 ? 278 PHE A CD1 1 ATOM 2143 C CD2 . PHE A 1 280 ? 6.881 -26.626 -8.706 1.00 57.62 ? 278 PHE A CD2 1 ATOM 2144 C CE1 . PHE A 1 280 ? 9.509 -26.664 -9.548 1.00 61.38 ? 278 PHE A CE1 1 ATOM 2145 C CE2 . PHE A 1 280 ? 7.862 -26.053 -7.924 1.00 57.71 ? 278 PHE A CE2 1 ATOM 2146 C CZ . PHE A 1 280 ? 9.179 -26.070 -8.347 1.00 59.67 ? 278 PHE A CZ 1 ATOM 2147 N N . VAL A 1 281 ? 3.340 -27.022 -12.816 1.00 54.63 ? 279 VAL A N 1 ATOM 2148 C CA . VAL A 1 281 ? 2.285 -27.654 -13.609 1.00 61.05 ? 279 VAL A CA 1 ATOM 2149 C C . VAL A 1 281 ? 2.586 -27.491 -15.092 1.00 67.23 ? 279 VAL A C 1 ATOM 2150 O O . VAL A 1 281 ? 1.973 -28.138 -15.937 1.00 66.12 ? 279 VAL A O 1 ATOM 2151 C CB . VAL A 1 281 ? 0.881 -27.095 -13.287 1.00 55.73 ? 279 VAL A CB 1 ATOM 2152 C CG1 . VAL A 1 281 ? 0.549 -27.305 -11.813 1.00 53.48 ? 279 VAL A CG1 1 ATOM 2153 C CG2 . VAL A 1 281 ? 0.781 -25.625 -13.667 1.00 54.68 ? 279 VAL A CG2 1 ATOM 2154 N N . VAL A 1 282 ? 3.548 -26.625 -15.389 1.00 74.45 ? 280 VAL A N 1 ATOM 2155 C CA . VAL A 1 282 ? 3.970 -26.343 -16.752 1.00 76.64 ? 280 VAL A CA 1 ATOM 2156 C C . VAL A 1 282 ? 5.448 -26.690 -16.925 1.00 84.30 ? 280 VAL A C 1 ATOM 2157 O O . VAL A 1 282 ? 6.294 -26.193 -16.181 1.00 94.07 ? 280 VAL A O 1 ATOM 2158 C CB . VAL A 1 282 ? 3.749 -24.866 -17.088 1.00 65.03 ? 280 VAL A CB 1 ATOM 2159 C CG1 . VAL A 1 282 ? 4.445 -24.511 -18.380 1.00 72.33 ? 280 VAL A CG1 1 ATOM 2160 C CG2 . VAL A 1 282 ? 2.266 -24.568 -17.174 1.00 60.52 ? 280 VAL A CG2 1 ATOM 2161 N N . PRO A 1 283 ? 5.763 -27.541 -17.914 1.00 81.21 ? 281 PRO A N 1 ATOM 2162 C CA . PRO A 1 283 ? 7.117 -28.072 -18.128 1.00 81.77 ? 281 PRO A CA 1 ATOM 2163 C C . PRO A 1 283 ? 8.158 -27.029 -18.546 1.00 79.85 ? 281 PRO A C 1 ATOM 2164 O O . PRO A 1 283 ? 9.326 -27.164 -18.177 1.00 78.53 ? 281 PRO A O 1 ATOM 2165 C CB . PRO A 1 283 ? 6.917 -29.090 -19.253 1.00 84.29 ? 281 PRO A CB 1 ATOM 2166 C CG . PRO A 1 283 ? 5.710 -28.605 -19.983 1.00 86.92 ? 281 PRO A CG 1 ATOM 2167 C CD . PRO A 1 283 ? 4.814 -28.026 -18.932 1.00 83.42 ? 281 PRO A CD 1 ATOM 2168 N N . TYR A 1 284 ? 7.758 -26.012 -19.304 1.00 77.71 ? 282 TYR A N 1 ATOM 2169 C CA . TYR A 1 284 ? 8.732 -25.033 -19.785 1.00 85.32 ? 282 TYR A CA 1 ATOM 2170 C C . TYR A 1 284 ? 8.189 -23.606 -19.856 1.00 85.24 ? 282 TYR A C 1 ATOM 2171 O O . TYR A 1 284 ? 7.738 -23.145 -20.906 1.00 94.58 ? 282 TYR A O 1 ATOM 2172 C CB . TYR A 1 284 ? 9.392 -25.489 -21.109 0.75 93.11 ? 282 TYR A CB 1 ATOM 2173 C CG . TYR A 1 284 ? 8.485 -25.678 -22.322 0.78 98.44 ? 282 TYR A CG 1 ATOM 2174 C CD1 . TYR A 1 284 ? 7.097 -25.708 -22.206 0.71 99.88 ? 282 TYR A CD1 1 ATOM 2175 C CD2 . TYR A 1 284 ? 9.032 -25.836 -23.592 0.80 101.47 ? 282 TYR A CD2 1 ATOM 2176 C CE1 . TYR A 1 284 ? 6.285 -25.876 -23.316 0.85 99.54 ? 282 TYR A CE1 1 ATOM 2177 C CE2 . TYR A 1 284 ? 8.230 -26.005 -24.706 0.84 101.59 ? 282 TYR A CE2 1 ATOM 2178 C CZ . TYR A 1 284 ? 6.857 -26.025 -24.561 0.76 101.02 ? 282 TYR A CZ 1 ATOM 2179 O OH . TYR A 1 284 ? 6.053 -26.193 -25.666 0.77 100.53 ? 282 TYR A OH 1 ATOM 2180 N N . GLY A 1 285 ? 8.252 -22.904 -18.729 1.00 73.42 ? 283 GLY A N 1 ATOM 2181 C CA . GLY A 1 285 ? 7.631 -21.594 -18.617 1.00 72.15 ? 283 GLY A CA 1 ATOM 2182 C C . GLY A 1 285 ? 8.525 -20.396 -18.910 1.00 74.79 ? 283 GLY A C 1 ATOM 2183 O O . GLY A 1 285 ? 9.754 -20.513 -18.931 1.00 81.74 ? 283 GLY A O 1 ATOM 2184 N N . THR A 1 286 ? 7.894 -19.243 -19.142 1.00 63.87 ? 284 THR A N 1 ATOM 2185 C CA . THR A 1 286 ? 8.599 -17.981 -19.379 1.00 56.64 ? 284 THR A CA 1 ATOM 2186 C C . THR A 1 286 ? 8.359 -17.014 -18.219 1.00 54.35 ? 284 THR A C 1 ATOM 2187 O O . THR A 1 286 ? 7.463 -17.233 -17.407 1.00 50.34 ? 284 THR A O 1 ATOM 2188 C CB . THR A 1 286 ? 8.117 -17.298 -20.676 1.00 54.57 ? 284 THR A CB 1 ATOM 2189 O OG1 . THR A 1 286 ? 6.791 -16.786 -20.487 1.00 52.09 ? 284 THR A OG1 1 ATOM 2190 C CG2 . THR A 1 286 ? 8.130 -18.271 -21.832 1.00 52.49 ? 284 THR A CG2 1 ATOM 2191 N N . PRO A 1 287 ? 9.152 -15.929 -18.137 1.00 60.51 ? 285 PRO A N 1 ATOM 2192 C CA . PRO A 1 287 ? 8.874 -14.914 -17.112 1.00 56.57 ? 285 PRO A CA 1 ATOM 2193 C C . PRO A 1 287 ? 7.469 -14.322 -17.211 1.00 53.92 ? 285 PRO A C 1 ATOM 2194 O O . PRO A 1 287 ? 7.044 -13.635 -16.284 1.00 58.86 ? 285 PRO A O 1 ATOM 2195 C CB . PRO A 1 287 ? 9.919 -13.840 -17.407 1.00 50.07 ? 285 PRO A CB 1 ATOM 2196 C CG . PRO A 1 287 ? 11.057 -14.598 -17.971 1.00 50.79 ? 285 PRO A CG 1 ATOM 2197 C CD . PRO A 1 287 ? 10.450 -15.691 -18.798 1.00 55.04 ? 285 PRO A CD 1 ATOM 2198 N N . LEU A 1 288 ? 6.772 -14.600 -18.312 1.00 51.96 ? 286 LEU A N 1 ATOM 2199 C CA . LEU A 1 288 ? 5.410 -14.129 -18.544 1.00 55.08 ? 286 LEU A CA 1 ATOM 2200 C C . LEU A 1 288 ? 4.377 -15.252 -18.457 1.00 61.01 ? 286 LEU A C 1 ATOM 2201 O O . LEU A 1 288 ? 3.269 -15.122 -18.971 1.00 56.08 ? 286 LEU A O 1 ATOM 2202 C CB . LEU A 1 288 ? 5.316 -13.475 -19.923 1.00 56.88 ? 286 LEU A CB 1 ATOM 2203 C CG . LEU A 1 288 ? 5.820 -12.035 -19.994 1.00 63.61 ? 286 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 288 ? 6.551 -11.771 -21.297 1.00 62.79 ? 286 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 288 ? 4.650 -11.080 -19.836 1.00 62.12 ? 286 LEU A CD2 1 ATOM 2206 N N . SER A 1 289 ? 4.737 -16.354 -17.806 1.00 67.74 ? 287 SER A N 1 ATOM 2207 C CA . SER A 1 289 ? 3.857 -17.523 -17.752 1.00 63.34 ? 287 SER A CA 1 ATOM 2208 C C . SER A 1 289 ? 2.726 -17.398 -16.729 1.00 51.73 ? 287 SER A C 1 ATOM 2209 O O . SER A 1 289 ? 2.945 -17.060 -15.563 1.00 49.85 ? 287 SER A O 1 ATOM 2210 C CB . SER A 1 289 ? 4.663 -18.802 -17.494 1.00 66.96 ? 287 SER A CB 1 ATOM 2211 O OG . SER A 1 289 ? 5.182 -19.336 -18.699 1.00 69.31 ? 287 SER A OG 1 ATOM 2212 N N . VAL A 1 290 ? 1.517 -17.680 -17.196 1.00 47.97 ? 288 VAL A N 1 ATOM 2213 C CA . VAL A 1 290 ? 0.318 -17.719 -16.372 1.00 44.52 ? 288 VAL A CA 1 ATOM 2214 C C . VAL A 1 290 ? -0.028 -19.185 -16.111 1.00 46.33 ? 288 VAL A C 1 ATOM 2215 O O . VAL A 1 290 ? -0.644 -19.849 -16.943 1.00 48.54 ? 288 VAL A O 1 ATOM 2216 C CB . VAL A 1 290 ? -0.862 -16.951 -17.066 1.00 35.64 ? 288 VAL A CB 1 ATOM 2217 C CG1 . VAL A 1 290 ? -2.217 -17.273 -16.429 1.00 33.79 ? 288 VAL A CG1 1 ATOM 2218 C CG2 . VAL A 1 290 ? -0.610 -15.479 -17.002 1.00 27.74 ? 288 VAL A CG2 1 ATOM 2219 N N . ASN A 1 291 ? 0.406 -19.697 -14.961 1.00 53.97 ? 289 ASN A N 1 ATOM 2220 C CA . ASN A 1 291 ? 0.159 -21.085 -14.592 1.00 52.89 ? 289 ASN A CA 1 ATOM 2221 C C . ASN A 1 291 ? -1.328 -21.381 -14.481 1.00 47.28 ? 289 ASN A C 1 ATOM 2222 O O . ASN A 1 291 ? -1.848 -22.293 -15.133 1.00 44.49 ? 289 ASN A O 1 ATOM 2223 C CB . ASN A 1 291 ? 0.835 -21.396 -13.265 1.00 72.57 ? 289 ASN A CB 1 ATOM 2224 C CG . ASN A 1 291 ? 2.332 -21.412 -13.375 1.00 76.38 ? 289 ASN A CG 1 ATOM 2225 O OD1 . ASN A 1 291 ? 2.891 -22.081 -14.248 1.00 75.04 ? 289 ASN A OD1 1 ATOM 2226 N ND2 . ASN A 1 291 ? 2.999 -20.665 -12.495 1.00 72.79 ? 289 ASN A ND2 1 ATOM 2227 N N . PHE A 1 292 ? -2.012 -20.604 -13.647 1.00 38.35 ? 290 PHE A N 1 ATOM 2228 C CA . PHE A 1 292 ? -3.463 -20.719 -13.537 1.00 38.67 ? 290 PHE A CA 1 ATOM 2229 C C . PHE A 1 292 ? -4.172 -19.398 -13.850 1.00 38.64 ? 290 PHE A C 1 ATOM 2230 O O . PHE A 1 292 ? -4.064 -18.419 -13.107 1.00 50.75 ? 290 PHE A O 1 ATOM 2231 C CB . PHE A 1 292 ? -3.875 -21.297 -12.170 1.00 33.39 ? 290 PHE A CB 1 ATOM 2232 C CG . PHE A 1 292 ? -3.452 -22.729 -11.981 1.00 39.22 ? 290 PHE A CG 1 ATOM 2233 C CD1 . PHE A 1 292 ? -2.197 -23.033 -11.478 1.00 37.22 ? 290 PHE A CD1 1 ATOM 2234 C CD2 . PHE A 1 292 ? -4.295 -23.770 -12.348 1.00 36.53 ? 290 PHE A CD2 1 ATOM 2235 C CE1 . PHE A 1 292 ? -1.812 -24.347 -11.321 1.00 44.36 ? 290 PHE A CE1 1 ATOM 2236 C CE2 . PHE A 1 292 ? -3.913 -25.090 -12.197 1.00 40.41 ? 290 PHE A CE2 1 ATOM 2237 C CZ . PHE A 1 292 ? -2.676 -25.383 -11.681 1.00 41.63 ? 290 PHE A CZ 1 ATOM 2238 N N . GLY A 1 293 ? -4.892 -19.390 -14.963 1.00 27.79 ? 291 GLY A N 1 ATOM 2239 C CA . GLY A 1 293 ? -5.600 -18.215 -15.412 1.00 29.97 ? 291 GLY A CA 1 ATOM 2240 C C . GLY A 1 293 ? -6.880 -18.572 -16.133 1.00 37.28 ? 291 GLY A C 1 ATOM 2241 O O . GLY A 1 293 ? -7.309 -19.722 -16.090 1.00 39.42 ? 291 GLY A O 1 ATOM 2242 N N . PRO A 1 294 ? -7.497 -17.581 -16.798 1.00 40.72 ? 292 PRO A N 1 ATOM 2243 C CA . PRO A 1 294 ? -8.760 -17.747 -17.526 1.00 31.91 ? 292 PRO A CA 1 ATOM 2244 C C . PRO A 1 294 ? -8.680 -18.862 -18.560 1.00 38.88 ? 292 PRO A C 1 ATOM 2245 O O . PRO A 1 294 ? -7.616 -19.097 -19.143 1.00 40.37 ? 292 PRO A O 1 ATOM 2246 C CB . PRO A 1 294 ? -8.932 -16.400 -18.243 1.00 27.64 ? 292 PRO A CB 1 ATOM 2247 C CG . PRO A 1 294 ? -8.140 -15.430 -17.425 1.00 31.32 ? 292 PRO A CG 1 ATOM 2248 C CD . PRO A 1 294 ? -6.972 -16.205 -16.903 1.00 37.40 ? 292 PRO A CD 1 ATOM 2249 N N . THR A 1 295 ? -9.810 -19.526 -18.791 1.00 33.24 ? 293 THR A N 1 ATOM 2250 C CA . THR A 1 295 ? -9.900 -20.564 -19.799 1.00 34.90 ? 293 THR A CA 1 ATOM 2251 C C . THR A 1 295 ? -11.326 -20.607 -20.321 1.00 40.29 ? 293 THR A C 1 ATOM 2252 O O . THR A 1 295 ? -12.201 -19.923 -19.785 1.00 40.69 ? 293 THR A O 1 ATOM 2253 C CB . THR A 1 295 ? -9.501 -21.961 -19.201 1.00 44.38 ? 293 THR A CB 1 ATOM 2254 O OG1 . THR A 1 295 ? -9.191 -22.879 -20.258 1.00 42.45 ? 293 THR A OG1 1 ATOM 2255 C CG2 . THR A 1 295 ? -10.614 -22.528 -18.290 1.00 28.26 ? 293 THR A CG2 1 ATOM 2256 N N . VAL A 1 296 ? -11.560 -21.405 -21.362 1.00 39.78 ? 294 VAL A N 1 ATOM 2257 C CA . VAL A 1 296 ? -12.908 -21.624 -21.882 1.00 43.45 ? 294 VAL A CA 1 ATOM 2258 C C . VAL A 1 296 ? -13.713 -22.581 -20.986 1.00 45.01 ? 294 VAL A C 1 ATOM 2259 O O . VAL A 1 296 ? -13.680 -23.792 -21.173 1.00 51.16 ? 294 VAL A O 1 ATOM 2260 C CB . VAL A 1 296 ? -12.854 -22.179 -23.330 1.00 44.51 ? 294 VAL A CB 1 ATOM 2261 C CG1 . VAL A 1 296 ? -14.244 -22.537 -23.843 1.00 41.34 ? 294 VAL A CG1 1 ATOM 2262 C CG2 . VAL A 1 296 ? -12.210 -21.165 -24.246 1.00 33.82 ? 294 VAL A CG2 1 ATOM 2263 N N . ASP A 1 297 ? -14.446 -22.026 -20.024 1.00 46.22 ? 295 ASP A N 1 ATOM 2264 C CA . ASP A 1 297 ? -15.168 -22.810 -19.022 1.00 40.21 ? 295 ASP A CA 1 ATOM 2265 C C . ASP A 1 297 ? -16.587 -23.221 -19.413 1.00 48.30 ? 295 ASP A C 1 ATOM 2266 O O . ASP A 1 297 ? -17.207 -24.030 -18.728 1.00 49.95 ? 295 ASP A O 1 ATOM 2267 C CB . ASP A 1 297 ? -15.256 -22.023 -17.723 1.00 45.63 ? 295 ASP A CB 1 ATOM 2268 C CG . ASP A 1 297 ? -16.085 -20.758 -17.869 1.00 49.06 ? 295 ASP A CG 1 ATOM 2269 O OD1 . ASP A 1 297 ? -16.022 -20.139 -18.948 1.00 51.66 ? 295 ASP A OD1 1 ATOM 2270 O OD2 . ASP A 1 297 ? -16.797 -20.382 -16.912 1.00 47.34 ? 295 ASP A OD2 1 ATOM 2271 N N . GLY A 1 298 ? -17.123 -22.652 -20.484 1.00 48.69 ? 296 GLY A N 1 ATOM 2272 C CA . GLY A 1 298 ? -18.489 -22.954 -20.868 1.00 47.74 ? 296 GLY A CA 1 ATOM 2273 C C . GLY A 1 298 ? -19.542 -22.121 -20.155 1.00 56.94 ? 296 GLY A C 1 ATOM 2274 O O . GLY A 1 298 ? -20.686 -22.054 -20.586 1.00 61.76 ? 296 GLY A O 1 ATOM 2275 N N . ASP A 1 299 ? -19.154 -21.474 -19.063 1.00 61.91 ? 297 ASP A N 1 ATOM 2276 C CA . ASP A 1 299 ? -20.074 -20.656 -18.276 1.00 53.05 ? 297 ASP A CA 1 ATOM 2277 C C . ASP A 1 299 ? -19.787 -19.165 -18.531 1.00 42.05 ? 297 ASP A C 1 ATOM 2278 O O . ASP A 1 299 ? -20.555 -18.484 -19.220 1.00 43.46 ? 297 ASP A O 1 ATOM 2279 C CB . ASP A 1 299 ? -19.944 -21.026 -16.790 1.00 55.14 ? 297 ASP A CB 1 ATOM 2280 C CG . ASP A 1 299 ? -21.102 -20.517 -15.934 1.00 62.13 ? 297 ASP A CG 1 ATOM 2281 O OD1 . ASP A 1 299 ? -21.818 -19.587 -16.353 1.00 61.57 ? 297 ASP A OD1 1 ATOM 2282 O OD2 . ASP A 1 299 ? -21.282 -21.046 -14.815 1.00 69.04 ? 297 ASP A OD2 1 ATOM 2283 N N . PHE A 1 300 ? -18.675 -18.670 -17.991 1.00 37.38 ? 298 PHE A N 1 ATOM 2284 C CA . PHE A 1 300 ? -18.234 -17.293 -18.235 1.00 42.85 ? 298 PHE A CA 1 ATOM 2285 C C . PHE A 1 300 ? -17.906 -17.027 -19.720 1.00 45.19 ? 298 PHE A C 1 ATOM 2286 O O . PHE A 1 300 ? -18.333 -16.023 -20.296 1.00 46.01 ? 298 PHE A O 1 ATOM 2287 C CB . PHE A 1 300 ? -17.008 -16.990 -17.368 1.00 45.41 ? 298 PHE A CB 1 ATOM 2288 C CG . PHE A 1 300 ? -16.736 -15.524 -17.188 1.00 42.18 ? 298 PHE A CG 1 ATOM 2289 C CD1 . PHE A 1 300 ? -17.334 -14.817 -16.153 1.00 42.61 ? 298 PHE A CD1 1 ATOM 2290 C CD2 . PHE A 1 300 ? -15.878 -14.853 -18.044 1.00 38.36 ? 298 PHE A CD2 1 ATOM 2291 C CE1 . PHE A 1 300 ? -17.084 -13.459 -15.982 1.00 38.17 ? 298 PHE A CE1 1 ATOM 2292 C CE2 . PHE A 1 300 ? -15.623 -13.502 -17.879 1.00 36.48 ? 298 PHE A CE2 1 ATOM 2293 C CZ . PHE A 1 300 ? -16.229 -12.804 -16.844 1.00 32.34 ? 298 PHE A CZ 1 ATOM 2294 N N . LEU A 1 301 ? -17.143 -17.941 -20.318 1.00 41.70 ? 299 LEU A N 1 ATOM 2295 C CA . LEU A 1 301 ? -16.744 -17.888 -21.722 1.00 39.53 ? 299 LEU A CA 1 ATOM 2296 C C . LEU A 1 301 ? -17.267 -19.096 -22.481 1.00 42.91 ? 299 LEU A C 1 ATOM 2297 O O . LEU A 1 301 ? -16.791 -20.217 -22.264 1.00 49.47 ? 299 LEU A O 1 ATOM 2298 C CB . LEU A 1 301 ? -15.233 -17.964 -21.823 1.00 39.12 ? 299 LEU A CB 1 ATOM 2299 C CG . LEU A 1 301 ? -14.367 -16.737 -21.839 1.00 41.08 ? 299 LEU A CG 1 ATOM 2300 C CD1 . LEU A 1 301 ? -12.962 -17.204 -22.215 1.00 43.50 ? 299 LEU A CD1 1 ATOM 2301 C CD2 . LEU A 1 301 ? -14.928 -15.726 -22.831 1.00 40.04 ? 299 LEU A CD2 1 ATOM 2302 N N . THR A 1 302 ? -18.197 -18.877 -23.401 1.00 43.72 ? 300 THR A N 1 ATOM 2303 C CA . THR A 1 302 ? -18.806 -19.984 -24.133 1.00 50.67 ? 300 THR A CA 1 ATOM 2304 C C . THR A 1 302 ? -18.002 -20.475 -25.343 1.00 51.24 ? 300 THR A C 1 ATOM 2305 O O . THR A 1 302 ? -18.426 -21.405 -26.027 1.00 58.87 ? 300 THR A O 1 ATOM 2306 C CB . THR A 1 302 ? -20.252 -19.652 -24.576 1.00 56.09 ? 300 THR A CB 1 ATOM 2307 O OG1 . THR A 1 302 ? -20.244 -18.514 -25.443 1.00 62.41 ? 300 THR A OG1 1 ATOM 2308 C CG2 . THR A 1 302 ? -21.126 -19.361 -23.372 1.00 55.55 ? 300 THR A CG2 1 ATOM 2309 N N . ASP A 1 303 ? -16.849 -19.864 -25.604 1.00 50.41 ? 301 ASP A N 1 ATOM 2310 C CA . ASP A 1 303 ? -16.036 -20.220 -26.775 1.00 49.52 ? 301 ASP A CA 1 ATOM 2311 C C . ASP A 1 303 ? -14.710 -19.479 -26.684 1.00 48.63 ? 301 ASP A C 1 ATOM 2312 O O . ASP A 1 303 ? -14.565 -18.595 -25.838 1.00 43.85 ? 301 ASP A O 1 ATOM 2313 C CB . ASP A 1 303 ? -16.767 -19.834 -28.064 1.00 59.31 ? 301 ASP A CB 1 ATOM 2314 C CG . ASP A 1 303 ? -16.221 -20.543 -29.287 1.00 63.82 ? 301 ASP A CG 1 ATOM 2315 O OD1 . ASP A 1 303 ? -15.049 -20.983 -29.232 1.00 65.20 ? 301 ASP A OD1 1 ATOM 2316 O OD2 . ASP A 1 303 ? -16.962 -20.645 -30.302 1.00 54.95 ? 301 ASP A OD2 1 ATOM 2317 N N . MET A 1 304 ? -13.742 -19.836 -27.532 1.00 51.08 ? 302 MET A N 1 ATOM 2318 C CA . MET A 1 304 ? -12.459 -19.131 -27.528 1.00 55.77 ? 302 MET A CA 1 ATOM 2319 C C . MET A 1 304 ? -12.714 -17.661 -27.859 1.00 53.57 ? 302 MET A C 1 ATOM 2320 O O . MET A 1 304 ? -13.445 -17.347 -28.800 1.00 50.53 ? 302 MET A O 1 ATOM 2321 C CB . MET A 1 304 ? -11.436 -19.766 -28.491 1.00 63.76 ? 302 MET A CB 1 ATOM 2322 C CG . MET A 1 304 ? -10.739 -21.063 -27.981 1.00 79.02 ? 302 MET A CG 1 ATOM 2323 S SD . MET A 1 304 ? -9.655 -20.957 -26.504 1.00 82.90 ? 302 MET A SD 1 ATOM 2324 C CE . MET A 1 304 ? -8.121 -20.263 -27.132 1.00 64.05 ? 302 MET A CE 1 ATOM 2325 N N . PRO A 1 305 ? -12.130 -16.758 -27.064 1.00 50.30 ? 303 PRO A N 1 ATOM 2326 C CA . PRO A 1 305 ? -12.453 -15.326 -27.107 1.00 44.01 ? 303 PRO A CA 1 ATOM 2327 C C . PRO A 1 305 ? -12.209 -14.690 -28.475 1.00 47.16 ? 303 PRO A C 1 ATOM 2328 O O . PRO A 1 305 ? -12.956 -13.785 -28.869 1.00 47.46 ? 303 PRO A O 1 ATOM 2329 C CB . PRO A 1 305 ? -11.510 -14.720 -26.059 1.00 39.94 ? 303 PRO A CB 1 ATOM 2330 C CG . PRO A 1 305 ? -11.094 -15.863 -25.183 1.00 39.51 ? 303 PRO A CG 1 ATOM 2331 C CD . PRO A 1 305 ? -11.089 -17.067 -26.067 1.00 49.00 ? 303 PRO A CD 1 ATOM 2332 N N . ASP A 1 306 ? -11.195 -15.170 -29.191 1.00 40.86 ? 304 ASP A N 1 ATOM 2333 C CA . ASP A 1 306 ? -10.856 -14.646 -30.517 1.00 37.94 ? 304 ASP A CA 1 ATOM 2334 C C . ASP A 1 306 ? -12.000 -14.848 -31.497 1.00 41.99 ? 304 ASP A C 1 ATOM 2335 O O . ASP A 1 306 ? -12.223 -14.017 -32.383 1.00 42.43 ? 304 ASP A O 1 ATOM 2336 C CB . ASP A 1 306 ? -9.583 -15.307 -31.060 1.00 49.94 ? 304 ASP A CB 1 ATOM 2337 C CG . ASP A 1 306 ? -8.449 -15.307 -30.044 1.00 74.49 ? 304 ASP A CG 1 ATOM 2338 O OD1 . ASP A 1 306 ? -8.354 -16.284 -29.256 1.00 88.57 ? 304 ASP A OD1 1 ATOM 2339 O OD2 . ASP A 1 306 ? -7.665 -14.328 -30.026 1.00 66.39 ? 304 ASP A OD2 1 ATOM 2340 N N . ILE A 1 307 ? -12.710 -15.964 -31.329 1.00 44.81 ? 305 ILE A N 1 ATOM 2341 C CA . ILE A 1 307 ? -13.869 -16.309 -32.146 1.00 47.63 ? 305 ILE A CA 1 ATOM 2342 C C . ILE A 1 307 ? -15.050 -15.385 -31.866 1.00 38.93 ? 305 ILE A C 1 ATOM 2343 O O . ILE A 1 307 ? -15.706 -14.897 -32.787 1.00 41.19 ? 305 ILE A O 1 ATOM 2344 C CB . ILE A 1 307 ? -14.325 -17.750 -31.853 1.00 52.17 ? 305 ILE A CB 1 ATOM 2345 C CG1 . ILE A 1 307 ? -13.178 -18.727 -32.108 1.00 65.04 ? 305 ILE A CG1 1 ATOM 2346 C CG2 . ILE A 1 307 ? -15.569 -18.114 -32.670 1.00 35.13 ? 305 ILE A CG2 1 ATOM 2347 C CD1 . ILE A 1 307 ? -12.685 -18.710 -33.522 1.00 68.27 ? 305 ILE A CD1 1 ATOM 2348 N N . LEU A 1 308 ? -15.332 -15.183 -30.584 1.00 36.12 ? 306 LEU A N 1 ATOM 2349 C CA . LEU A 1 308 ? -16.386 -14.276 -30.150 1.00 40.11 ? 306 LEU A CA 1 ATOM 2350 C C . LEU A 1 308 ? -16.112 -12.865 -30.669 1.00 37.03 ? 306 LEU A C 1 ATOM 2351 O O . LEU A 1 308 ? -17.017 -12.182 -31.137 1.00 40.80 ? 306 LEU A O 1 ATOM 2352 C CB . LEU A 1 308 ? -16.478 -14.265 -28.627 1.00 34.87 ? 306 LEU A CB 1 ATOM 2353 C CG . LEU A 1 308 ? -16.959 -15.554 -27.976 1.00 38.79 ? 306 LEU A CG 1 ATOM 2354 C CD1 . LEU A 1 308 ? -17.030 -15.422 -26.443 1.00 41.04 ? 306 LEU A CD1 1 ATOM 2355 C CD2 . LEU A 1 308 ? -18.313 -15.910 -28.539 1.00 38.38 ? 306 LEU A CD2 1 ATOM 2356 N N . LEU A 1 309 ? -14.850 -12.452 -30.605 1.00 30.61 ? 307 LEU A N 1 ATOM 2357 C CA . LEU A 1 309 ? -14.462 -11.130 -31.063 1.00 39.48 ? 307 LEU A CA 1 ATOM 2358 C C . LEU A 1 309 ? -14.682 -11.001 -32.577 1.00 46.98 ? 307 LEU A C 1 ATOM 2359 O O . LEU A 1 309 ? -15.328 -10.055 -33.037 1.00 50.16 ? 307 LEU A O 1 ATOM 2360 C CB . LEU A 1 309 ? -13.012 -10.837 -30.683 1.00 35.95 ? 307 LEU A CB 1 ATOM 2361 C CG . LEU A 1 309 ? -12.351 -9.569 -31.232 1.00 45.88 ? 307 LEU A CG 1 ATOM 2362 C CD1 . LEU A 1 309 ? -13.083 -8.264 -30.839 1.00 38.93 ? 307 LEU A CD1 1 ATOM 2363 C CD2 . LEU A 1 309 ? -10.898 -9.547 -30.783 1.00 37.00 ? 307 LEU A CD2 1 ATOM 2364 N N . GLU A 1 310 ? -14.166 -11.964 -33.333 1.00 37.06 ? 308 GLU A N 1 ATOM 2365 C CA . GLU A 1 310 ? -14.341 -12.003 -34.783 1.00 48.93 ? 308 GLU A CA 1 ATOM 2366 C C . GLU A 1 310 ? -15.802 -11.958 -35.205 1.00 51.46 ? 308 GLU A C 1 ATOM 2367 O O . GLU A 1 310 ? -16.132 -11.397 -36.250 1.00 54.49 ? 308 GLU A O 1 ATOM 2368 C CB . GLU A 1 310 ? -13.708 -13.267 -35.367 1.00 65.65 ? 308 GLU A CB 1 ATOM 2369 C CG . GLU A 1 310 ? -12.603 -13.011 -36.370 1.00 84.31 ? 308 GLU A CG 1 ATOM 2370 C CD . GLU A 1 310 ? -11.268 -13.566 -35.902 1.00 96.57 ? 308 GLU A CD 1 ATOM 2371 O OE1 . GLU A 1 310 ? -11.114 -14.812 -35.865 1.00 96.44 ? 308 GLU A OE1 1 ATOM 2372 O OE2 . GLU A 1 310 ? -10.380 -12.754 -35.558 1.00 99.17 ? 308 GLU A OE2 1 ATOM 2373 N N . LEU A 1 311 ? -16.672 -12.552 -34.396 1.00 49.22 ? 309 LEU A N 1 ATOM 2374 C CA . LEU A 1 311 ? -18.076 -12.713 -34.761 1.00 47.07 ? 309 LEU A CA 1 ATOM 2375 C C . LEU A 1 311 ? -18.967 -11.601 -34.216 1.00 55.30 ? 309 LEU A C 1 ATOM 2376 O O . LEU A 1 311 ? -20.185 -11.630 -34.378 1.00 53.84 ? 309 LEU A O 1 ATOM 2377 C CB . LEU A 1 311 ? -18.593 -14.068 -34.279 1.00 53.23 ? 309 LEU A CB 1 ATOM 2378 C CG . LEU A 1 311 ? -17.965 -15.304 -34.933 1.00 65.26 ? 309 LEU A CG 1 ATOM 2379 C CD1 . LEU A 1 311 ? -18.788 -16.534 -34.628 1.00 63.12 ? 309 LEU A CD1 1 ATOM 2380 C CD2 . LEU A 1 311 ? -17.795 -15.129 -36.444 1.00 67.81 ? 309 LEU A CD2 1 ATOM 2381 N N . GLY A 1 312 ? -18.364 -10.620 -33.557 1.00 56.96 ? 310 GLY A N 1 ATOM 2382 C CA . GLY A 1 312 ? -19.128 -9.501 -33.049 1.00 45.61 ? 310 GLY A CA 1 ATOM 2383 C C . GLY A 1 312 ? -19.989 -9.890 -31.864 1.00 42.34 ? 310 GLY A C 1 ATOM 2384 O O . GLY A 1 312 ? -20.922 -9.182 -31.506 1.00 46.56 ? 310 GLY A O 1 ATOM 2385 N N . GLN A 1 313 ? -19.681 -11.018 -31.242 1.00 41.40 ? 311 GLN A N 1 ATOM 2386 C CA . GLN A 1 313 ? -20.480 -11.466 -30.115 1.00 44.71 ? 311 GLN A CA 1 ATOM 2387 C C . GLN A 1 313 ? -19.918 -10.925 -28.806 1.00 43.56 ? 311 GLN A C 1 ATOM 2388 O O . GLN A 1 313 ? -19.303 -11.655 -28.034 1.00 46.75 ? 311 GLN A O 1 ATOM 2389 C CB . GLN A 1 313 ? -20.598 -12.995 -30.090 1.00 44.32 ? 311 GLN A CB 1 ATOM 2390 C CG . GLN A 1 313 ? -21.373 -13.562 -31.274 1.00 55.68 ? 311 GLN A CG 1 ATOM 2391 C CD . GLN A 1 313 ? -21.340 -15.093 -31.346 1.00 65.67 ? 311 GLN A CD 1 ATOM 2392 O OE1 . GLN A 1 313 ? -21.104 -15.773 -30.343 1.00 71.95 ? 311 GLN A OE1 1 ATOM 2393 N NE2 . GLN A 1 313 ? -21.580 -15.635 -32.540 1.00 56.80 ? 311 GLN A NE2 1 ATOM 2394 N N . PHE A 1 314 ? -20.143 -9.637 -28.569 1.00 36.92 ? 312 PHE A N 1 ATOM 2395 C CA . PHE A 1 314 ? -19.683 -8.978 -27.350 1.00 36.30 ? 312 PHE A CA 1 ATOM 2396 C C . PHE A 1 314 ? -20.521 -7.731 -27.096 1.00 39.80 ? 312 PHE A C 1 ATOM 2397 O O . PHE A 1 314 ? -21.291 -7.294 -27.955 1.00 40.39 ? 312 PHE A O 1 ATOM 2398 C CB . PHE A 1 314 ? -18.191 -8.604 -27.442 1.00 34.63 ? 312 PHE A CB 1 ATOM 2399 C CG . PHE A 1 314 ? -17.825 -7.834 -28.698 1.00 32.82 ? 312 PHE A CG 1 ATOM 2400 C CD1 . PHE A 1 314 ? -17.931 -6.449 -28.740 1.00 28.49 ? 312 PHE A CD1 1 ATOM 2401 C CD2 . PHE A 1 314 ? -17.372 -8.500 -29.829 1.00 31.22 ? 312 PHE A CD2 1 ATOM 2402 C CE1 . PHE A 1 314 ? -17.601 -5.742 -29.896 1.00 37.15 ? 312 PHE A CE1 1 ATOM 2403 C CE2 . PHE A 1 314 ? -17.038 -7.794 -30.990 1.00 33.10 ? 312 PHE A CE2 1 ATOM 2404 C CZ . PHE A 1 314 ? -17.159 -6.420 -31.024 1.00 33.70 ? 312 PHE A CZ 1 ATOM 2405 N N . LYS A 1 315 ? -20.357 -7.163 -25.911 1.00 36.87 ? 313 LYS A N 1 ATOM 2406 C CA . LYS A 1 315 ? -21.070 -5.960 -25.527 1.00 37.58 ? 313 LYS A CA 1 ATOM 2407 C C . LYS A 1 315 ? -20.702 -4.786 -26.439 1.00 37.21 ? 313 LYS A C 1 ATOM 2408 O O . LYS A 1 315 ? -19.531 -4.458 -26.600 1.00 37.86 ? 313 LYS A O 1 ATOM 2409 C CB . LYS A 1 315 ? -20.742 -5.643 -24.079 1.00 33.23 ? 313 LYS A CB 1 ATOM 2410 C CG . LYS A 1 315 ? -21.616 -4.618 -23.441 1.00 29.81 ? 313 LYS A CG 1 ATOM 2411 C CD . LYS A 1 315 ? -20.929 -4.139 -22.176 1.00 35.66 ? 313 LYS A CD 1 ATOM 2412 C CE . LYS A 1 315 ? -21.606 -2.931 -21.590 1.00 30.79 ? 313 LYS A CE 1 ATOM 2413 N NZ . LYS A 1 315 ? -23.056 -3.196 -21.470 1.00 32.21 ? 313 LYS A NZ 1 ATOM 2414 N N . LYS A 1 316 ? -21.707 -4.175 -27.059 1.00 32.90 ? 314 LYS A N 1 ATOM 2415 C CA . LYS A 1 316 ? -21.478 -3.047 -27.968 1.00 34.93 ? 314 LYS A CA 1 ATOM 2416 C C . LYS A 1 316 ? -21.405 -1.699 -27.229 1.00 35.35 ? 314 LYS A C 1 ATOM 2417 O O . LYS A 1 316 ? -22.426 -1.057 -26.974 1.00 35.24 ? 314 LYS A O 1 ATOM 2418 C CB . LYS A 1 316 ? -22.558 -3.002 -29.059 1.00 23.66 ? 314 LYS A CB 1 ATOM 2419 C CG . LYS A 1 316 ? -22.532 -4.204 -29.998 1.00 37.15 ? 314 LYS A CG 1 ATOM 2420 C CD . LYS A 1 316 ? -21.094 -4.627 -30.363 1.00 40.94 ? 314 LYS A CD 1 ATOM 2421 C CE . LYS A 1 316 ? -21.051 -5.579 -31.559 1.00 39.49 ? 314 LYS A CE 1 ATOM 2422 N NZ . LYS A 1 316 ? -22.009 -6.727 -31.451 1.00 34.97 ? 314 LYS A NZ 1 ATOM 2423 N N . THR A 1 317 ? -20.195 -1.286 -26.872 1.00 32.58 ? 315 THR A N 1 ATOM 2424 C CA . THR A 1 317 ? -20.013 -0.064 -26.091 1.00 35.97 ? 315 THR A CA 1 ATOM 2425 C C . THR A 1 317 ? -18.678 0.606 -26.423 1.00 31.88 ? 315 THR A C 1 ATOM 2426 O O . THR A 1 317 ? -17.924 0.088 -27.233 1.00 32.73 ? 315 THR A O 1 ATOM 2427 C CB . THR A 1 317 ? -20.131 -0.332 -24.563 1.00 33.09 ? 315 THR A CB 1 ATOM 2428 O OG1 . THR A 1 317 ? -20.263 0.914 -23.885 1.00 32.43 ? 315 THR A OG1 1 ATOM 2429 C CG2 . THR A 1 317 ? -18.908 -1.103 -24.008 1.00 22.83 ? 315 THR A CG2 1 ATOM 2430 N N . GLN A 1 318 ? -18.391 1.747 -25.806 1.00 30.03 ? 316 GLN A N 1 ATOM 2431 C CA . GLN A 1 318 ? -17.125 2.445 -26.058 1.00 31.35 ? 316 GLN A CA 1 ATOM 2432 C C . GLN A 1 318 ? -15.989 1.883 -25.226 1.00 32.00 ? 316 GLN A C 1 ATOM 2433 O O . GLN A 1 318 ? -16.190 1.471 -24.087 1.00 43.35 ? 316 GLN A O 1 ATOM 2434 C CB . GLN A 1 318 ? -17.251 3.935 -25.778 1.00 25.28 ? 316 GLN A CB 1 ATOM 2435 C CG . GLN A 1 318 ? -18.335 4.594 -26.572 1.00 34.56 ? 316 GLN A CG 1 ATOM 2436 C CD . GLN A 1 318 ? -19.707 4.365 -25.965 1.00 41.83 ? 316 GLN A CD 1 ATOM 2437 O OE1 . GLN A 1 318 ? -19.853 4.259 -24.742 1.00 41.36 ? 316 GLN A OE1 1 ATOM 2438 N NE2 . GLN A 1 318 ? -20.716 4.282 -26.816 1.00 37.84 ? 316 GLN A NE2 1 ATOM 2439 N N . ILE A 1 319 ? -14.796 1.867 -25.798 1.00 28.44 ? 317 ILE A N 1 ATOM 2440 C CA . ILE A 1 319 ? -13.612 1.426 -25.066 1.00 28.44 ? 317 ILE A CA 1 ATOM 2441 C C . ILE A 1 319 ? -12.462 2.414 -25.172 1.00 30.14 ? 317 ILE A C 1 ATOM 2442 O O . ILE A 1 319 ? -12.335 3.152 -26.145 1.00 37.94 ? 317 ILE A O 1 ATOM 2443 C CB . ILE A 1 319 ? -13.072 0.056 -25.567 1.00 32.73 ? 317 ILE A CB 1 ATOM 2444 C CG1 . ILE A 1 319 ? -12.632 0.159 -27.024 1.00 31.63 ? 317 ILE A CG1 1 ATOM 2445 C CG2 . ILE A 1 319 ? -14.102 -1.045 -25.378 1.00 32.70 ? 317 ILE A CG2 1 ATOM 2446 C CD1 . ILE A 1 319 ? -11.907 -1.083 -27.539 1.00 34.15 ? 317 ILE A CD1 1 ATOM 2447 N N . LEU A 1 320 ? -11.604 2.404 -24.170 1.00 29.09 ? 318 LEU A N 1 ATOM 2448 C CA . LEU A 1 320 ? -10.402 3.213 -24.203 1.00 29.67 ? 318 LEU A CA 1 ATOM 2449 C C . LEU A 1 320 ? -9.258 2.228 -23.950 1.00 27.19 ? 318 LEU A C 1 ATOM 2450 O O . LEU A 1 320 ? -9.251 1.524 -22.947 1.00 31.77 ? 318 LEU A O 1 ATOM 2451 C CB . LEU A 1 320 ? -10.492 4.308 -23.123 1.00 30.07 ? 318 LEU A CB 1 ATOM 2452 C CG . LEU A 1 320 ? -9.437 5.420 -23.051 1.00 41.12 ? 318 LEU A CG 1 ATOM 2453 C CD1 . LEU A 1 320 ? -9.958 6.601 -22.217 1.00 39.96 ? 318 LEU A CD1 1 ATOM 2454 C CD2 . LEU A 1 320 ? -8.145 4.902 -22.453 1.00 38.56 ? 318 LEU A CD2 1 ATOM 2455 N N . VAL A 1 321 ? -8.304 2.178 -24.866 1.00 22.68 ? 319 VAL A N 1 ATOM 2456 C CA . VAL A 1 321 ? -7.240 1.186 -24.836 1.00 21.20 ? 319 VAL A CA 1 ATOM 2457 C C . VAL A 1 321 ? -5.877 1.831 -25.024 1.00 31.31 ? 319 VAL A C 1 ATOM 2458 O O . VAL A 1 321 ? -5.709 2.733 -25.860 1.00 27.36 ? 319 VAL A O 1 ATOM 2459 C CB . VAL A 1 321 ? -7.445 0.136 -25.971 1.00 27.34 ? 319 VAL A CB 1 ATOM 2460 C CG1 . VAL A 1 321 ? -6.353 -0.917 -25.960 1.00 22.74 ? 319 VAL A CG1 1 ATOM 2461 C CG2 . VAL A 1 321 ? -8.815 -0.532 -25.856 1.00 26.61 ? 319 VAL A CG2 1 ATOM 2462 N N . GLY A 1 322 ? -4.884 1.370 -24.269 1.00 29.59 ? 320 GLY A N 1 ATOM 2463 C CA . GLY A 1 322 ? -3.533 1.821 -24.535 1.00 28.50 ? 320 GLY A CA 1 ATOM 2464 C C . GLY A 1 322 ? -2.411 1.011 -23.941 1.00 30.55 ? 320 GLY A C 1 ATOM 2465 O O . GLY A 1 322 ? -2.624 0.096 -23.152 1.00 28.39 ? 320 GLY A O 1 ATOM 2466 N N . VAL A 1 323 ? -1.195 1.383 -24.320 1.00 29.11 ? 321 VAL A N 1 ATOM 2467 C CA . VAL A 1 323 ? 0.003 0.710 -23.869 1.00 26.66 ? 321 VAL A CA 1 ATOM 2468 C C . VAL A 1 323 ? 1.110 1.712 -23.551 1.00 31.86 ? 321 VAL A C 1 ATOM 2469 O O . VAL A 1 323 ? 1.088 2.862 -24.001 1.00 32.57 ? 321 VAL A O 1 ATOM 2470 C CB . VAL A 1 323 ? 0.543 -0.214 -24.962 1.00 28.50 ? 321 VAL A CB 1 ATOM 2471 C CG1 . VAL A 1 323 ? -0.418 -1.384 -25.248 1.00 19.28 ? 321 VAL A CG1 1 ATOM 2472 C CG2 . VAL A 1 323 ? 0.822 0.591 -26.216 1.00 22.33 ? 321 VAL A CG2 1 ATOM 2473 N N . ASN A 1 324 ? 2.084 1.250 -22.777 1.00 34.38 ? 322 ASN A N 1 ATOM 2474 C CA . ASN A 1 324 ? 3.273 2.017 -22.449 1.00 30.74 ? 322 ASN A CA 1 ATOM 2475 C C . ASN A 1 324 ? 4.395 1.746 -23.434 1.00 38.07 ? 322 ASN A C 1 ATOM 2476 O O . ASN A 1 324 ? 4.435 0.699 -24.089 1.00 39.59 ? 322 ASN A O 1 ATOM 2477 C CB . ASN A 1 324 ? 3.759 1.689 -21.030 1.00 36.65 ? 322 ASN A CB 1 ATOM 2478 C CG . ASN A 1 324 ? 2.710 1.979 -19.976 1.00 39.09 ? 322 ASN A CG 1 ATOM 2479 O OD1 . ASN A 1 324 ? 1.677 2.589 -20.266 1.00 36.27 ? 322 ASN A OD1 1 ATOM 2480 N ND2 . ASN A 1 324 ? 2.966 1.543 -18.747 1.00 42.15 ? 322 ASN A ND2 1 ATOM 2481 N N . LYS A 1 325 ? 5.311 2.701 -23.531 1.00 30.93 ? 323 LYS A N 1 ATOM 2482 C CA . LYS A 1 325 ? 6.402 2.607 -24.480 1.00 33.45 ? 323 LYS A CA 1 ATOM 2483 C C . LYS A 1 325 ? 7.328 1.391 -24.242 1.00 33.65 ? 323 LYS A C 1 ATOM 2484 O O . LYS A 1 325 ? 7.748 0.734 -25.197 1.00 34.34 ? 323 LYS A O 1 ATOM 2485 C CB . LYS A 1 325 ? 7.172 3.927 -24.508 1.00 30.96 ? 323 LYS A CB 1 ATOM 2486 C CG . LYS A 1 325 ? 8.447 3.914 -25.306 1.00 36.06 ? 323 LYS A CG 1 ATOM 2487 C CD . LYS A 1 325 ? 8.795 5.322 -25.769 1.00 46.10 ? 323 LYS A CD 1 ATOM 2488 C CE . LYS A 1 325 ? 10.293 5.482 -25.963 1.00 59.36 ? 323 LYS A CE 1 ATOM 2489 N NZ . LYS A 1 325 ? 10.995 5.431 -24.635 1.00 67.45 ? 323 LYS A NZ 1 ATOM 2490 N N . ASP A 1 326 ? 7.635 1.073 -22.990 1.00 29.02 ? 324 ASP A N 1 ATOM 2491 C CA . ASP A 1 326 ? 8.578 -0.022 -22.740 1.00 38.94 ? 324 ASP A CA 1 ATOM 2492 C C . ASP A 1 326 ? 7.963 -1.161 -21.920 1.00 41.30 ? 324 ASP A C 1 ATOM 2493 O O . ASP A 1 326 ? 8.442 -1.495 -20.841 1.00 47.15 ? 324 ASP A O 1 ATOM 2494 C CB . ASP A 1 326 ? 9.884 0.492 -22.110 1.00 45.25 ? 324 ASP A CB 1 ATOM 2495 C CG . ASP A 1 326 ? 10.597 1.533 -22.994 1.00 47.77 ? 324 ASP A CG 1 ATOM 2496 O OD1 . ASP A 1 326 ? 11.049 1.176 -24.103 1.00 42.39 ? 324 ASP A OD1 1 ATOM 2497 O OD2 . ASP A 1 326 ? 10.711 2.708 -22.577 1.00 45.58 ? 324 ASP A OD2 1 ATOM 2498 N N . GLU A 1 327 ? 6.908 -1.759 -22.475 1.00 43.23 ? 325 GLU A N 1 ATOM 2499 C CA . GLU A 1 327 ? 6.163 -2.850 -21.850 1.00 40.24 ? 325 GLU A CA 1 ATOM 2500 C C . GLU A 1 327 ? 7.010 -4.082 -21.490 1.00 41.63 ? 325 GLU A C 1 ATOM 2501 O O . GLU A 1 327 ? 6.763 -4.744 -20.480 1.00 38.76 ? 325 GLU A O 1 ATOM 2502 C CB . GLU A 1 327 ? 5.025 -3.282 -22.781 1.00 37.82 ? 325 GLU A CB 1 ATOM 2503 C CG . GLU A 1 327 ? 3.961 -2.233 -23.016 1.00 38.81 ? 325 GLU A CG 1 ATOM 2504 C CD . GLU A 1 327 ? 3.000 -2.110 -21.842 1.00 43.15 ? 325 GLU A CD 1 ATOM 2505 O OE1 . GLU A 1 327 ? 3.146 -2.879 -20.863 1.00 44.11 ? 325 GLU A OE1 1 ATOM 2506 O OE2 . GLU A 1 327 ? 2.093 -1.254 -21.902 1.00 39.47 ? 325 GLU A OE2 1 ATOM 2507 N N . GLY A 1 328 ? 8.009 -4.382 -22.311 1.00 31.51 ? 326 GLY A N 1 ATOM 2508 C CA . GLY A 1 328 ? 8.733 -5.622 -22.163 1.00 35.75 ? 326 GLY A CA 1 ATOM 2509 C C . GLY A 1 328 ? 9.941 -5.618 -21.250 1.00 36.53 ? 326 GLY A C 1 ATOM 2510 O O . GLY A 1 328 ? 10.407 -6.684 -20.866 1.00 44.78 ? 326 GLY A O 1 ATOM 2511 N N . THR A 1 329 ? 10.451 -4.447 -20.893 1.00 35.18 ? 327 THR A N 1 ATOM 2512 C CA . THR A 1 329 ? 11.732 -4.397 -20.193 1.00 38.45 ? 327 THR A CA 1 ATOM 2513 C C . THR A 1 329 ? 11.682 -5.034 -18.800 1.00 42.99 ? 327 THR A C 1 ATOM 2514 O O . THR A 1 329 ? 12.652 -5.659 -18.358 1.00 42.30 ? 327 THR A O 1 ATOM 2515 C CB . THR A 1 329 ? 12.266 -2.966 -20.075 1.00 30.52 ? 327 THR A CB 1 ATOM 2516 O OG1 . THR A 1 329 ? 11.307 -2.171 -19.373 1.00 34.96 ? 327 THR A OG1 1 ATOM 2517 C CG2 . THR A 1 329 ? 12.512 -2.388 -21.445 1.00 31.88 ? 327 THR A CG2 1 ATOM 2518 N N . ALA A 1 330 ? 10.546 -4.884 -18.124 1.00 38.09 ? 328 ALA A N 1 ATOM 2519 C CA . ALA A 1 330 ? 10.388 -5.375 -16.756 1.00 39.75 ? 328 ALA A CA 1 ATOM 2520 C C . ALA A 1 330 ? 10.657 -6.871 -16.634 1.00 42.60 ? 328 ALA A C 1 ATOM 2521 O O . ALA A 1 330 ? 11.096 -7.336 -15.594 1.00 51.11 ? 328 ALA A O 1 ATOM 2522 C CB . ALA A 1 330 ? 8.995 -5.053 -16.234 1.00 35.65 ? 328 ALA A CB 1 ATOM 2523 N N . PHE A 1 331 ? 10.401 -7.617 -17.702 1.00 41.72 ? 329 PHE A N 1 ATOM 2524 C CA . PHE A 1 331 ? 10.410 -9.070 -17.623 1.00 37.76 ? 329 PHE A CA 1 ATOM 2525 C C . PHE A 1 331 ? 11.801 -9.642 -17.843 1.00 40.97 ? 329 PHE A C 1 ATOM 2526 O O . PHE A 1 331 ? 12.092 -10.757 -17.419 1.00 43.79 ? 329 PHE A O 1 ATOM 2527 C CB . PHE A 1 331 ? 9.366 -9.659 -18.576 1.00 28.05 ? 329 PHE A CB 1 ATOM 2528 C CG . PHE A 1 331 ? 7.985 -9.107 -18.344 1.00 37.51 ? 329 PHE A CG 1 ATOM 2529 C CD1 . PHE A 1 331 ? 7.156 -9.653 -17.376 1.00 40.89 ? 329 PHE A CD1 1 ATOM 2530 C CD2 . PHE A 1 331 ? 7.533 -8.005 -19.053 1.00 36.54 ? 329 PHE A CD2 1 ATOM 2531 C CE1 . PHE A 1 331 ? 5.887 -9.121 -17.134 1.00 33.92 ? 329 PHE A CE1 1 ATOM 2532 C CE2 . PHE A 1 331 ? 6.277 -7.481 -18.829 1.00 34.47 ? 329 PHE A CE2 1 ATOM 2533 C CZ . PHE A 1 331 ? 5.456 -8.033 -17.860 1.00 38.11 ? 329 PHE A CZ 1 ATOM 2534 N N . LEU A 1 332 ? 12.665 -8.845 -18.461 1.00 41.02 ? 330 LEU A N 1 ATOM 2535 C CA . LEU A 1 332 ? 14.016 -9.271 -18.798 1.00 43.18 ? 330 LEU A CA 1 ATOM 2536 C C . LEU A 1 332 ? 14.903 -9.522 -17.568 1.00 48.79 ? 330 LEU A C 1 ATOM 2537 O O . LEU A 1 332 ? 15.745 -10.426 -17.588 1.00 59.71 ? 330 LEU A O 1 ATOM 2538 C CB . LEU A 1 332 ? 14.689 -8.261 -19.740 1.00 42.68 ? 330 LEU A CB 1 ATOM 2539 C CG . LEU A 1 332 ? 13.893 -7.732 -20.937 1.00 43.60 ? 330 LEU A CG 1 ATOM 2540 C CD1 . LEU A 1 332 ? 14.683 -6.676 -21.707 1.00 40.54 ? 330 LEU A CD1 1 ATOM 2541 C CD2 . LEU A 1 332 ? 13.464 -8.854 -21.862 1.00 35.38 ? 330 LEU A CD2 1 ATOM 2542 N N . VAL A 1 333 ? 14.728 -8.744 -16.499 1.00 39.41 ? 331 VAL A N 1 ATOM 2543 C CA . VAL A 1 333 ? 15.589 -8.924 -15.321 1.00 45.47 ? 331 VAL A CA 1 ATOM 2544 C C . VAL A 1 333 ? 15.137 -10.121 -14.495 1.00 54.84 ? 331 VAL A C 1 ATOM 2545 O O . VAL A 1 333 ? 15.731 -10.444 -13.463 1.00 59.71 ? 331 VAL A O 1 ATOM 2546 C CB . VAL A 1 333 ? 15.680 -7.664 -14.427 1.00 47.15 ? 331 VAL A CB 1 ATOM 2547 C CG1 . VAL A 1 333 ? 16.391 -6.544 -15.157 1.00 47.94 ? 331 VAL A CG1 1 ATOM 2548 C CG2 . VAL A 1 333 ? 14.297 -7.224 -13.968 1.00 52.54 ? 331 VAL A CG2 1 ATOM 2549 N N . TYR A 1 334 ? 14.093 -10.786 -14.979 1.00 58.90 ? 332 TYR A N 1 ATOM 2550 C CA . TYR A 1 334 ? 13.522 -11.942 -14.310 1.00 58.40 ? 332 TYR A CA 1 ATOM 2551 C C . TYR A 1 334 ? 13.814 -13.253 -15.037 1.00 71.92 ? 332 TYR A C 1 ATOM 2552 O O . TYR A 1 334 ? 13.119 -14.250 -14.828 1.00 76.45 ? 332 TYR A O 1 ATOM 2553 C CB . TYR A 1 334 ? 12.012 -11.755 -14.130 1.00 48.72 ? 332 TYR A CB 1 ATOM 2554 C CG . TYR A 1 334 ? 11.656 -10.837 -12.982 1.00 45.06 ? 332 TYR A CG 1 ATOM 2555 C CD1 . TYR A 1 334 ? 11.638 -11.311 -11.676 1.00 39.54 ? 332 TYR A CD1 1 ATOM 2556 C CD2 . TYR A 1 334 ? 11.355 -9.499 -13.197 1.00 38.62 ? 332 TYR A CD2 1 ATOM 2557 C CE1 . TYR A 1 334 ? 11.321 -10.490 -10.621 1.00 45.59 ? 332 TYR A CE1 1 ATOM 2558 C CE2 . TYR A 1 334 ? 11.036 -8.662 -12.134 1.00 48.35 ? 332 TYR A CE2 1 ATOM 2559 C CZ . TYR A 1 334 ? 11.023 -9.168 -10.851 1.00 48.88 ? 332 TYR A CZ 1 ATOM 2560 O OH . TYR A 1 334 ? 10.714 -8.361 -9.787 1.00 58.07 ? 332 TYR A OH 1 ATOM 2561 N N . GLY A 1 335 ? 14.840 -13.267 -15.884 1.00 70.71 ? 333 GLY A N 1 ATOM 2562 C CA . GLY A 1 335 ? 15.190 -14.504 -16.557 1.00 68.25 ? 333 GLY A CA 1 ATOM 2563 C C . GLY A 1 335 ? 16.185 -14.446 -17.699 1.00 66.23 ? 333 GLY A C 1 ATOM 2564 O O . GLY A 1 335 ? 16.939 -15.399 -17.898 1.00 69.55 ? 333 GLY A O 1 ATOM 2565 N N . ALA A 1 336 ? 16.184 -13.357 -18.463 1.00 55.58 ? 334 ALA A N 1 ATOM 2566 C CA . ALA A 1 336 ? 17.084 -13.252 -19.608 1.00 53.40 ? 334 ALA A CA 1 ATOM 2567 C C . ALA A 1 336 ? 18.528 -13.024 -19.161 1.00 56.83 ? 334 ALA A C 1 ATOM 2568 O O . ALA A 1 336 ? 18.791 -12.186 -18.304 1.00 60.54 ? 334 ALA A O 1 ATOM 2569 C CB . ALA A 1 336 ? 16.630 -12.150 -20.551 1.00 50.58 ? 334 ALA A CB 1 ATOM 2570 N N . PRO A 1 337 ? 19.468 -13.789 -19.735 1.00 58.79 ? 335 PRO A N 1 ATOM 2571 C CA . PRO A 1 337 ? 20.887 -13.643 -19.388 1.00 62.22 ? 335 PRO A CA 1 ATOM 2572 C C . PRO A 1 337 ? 21.475 -12.310 -19.858 1.00 60.72 ? 335 PRO A C 1 ATOM 2573 O O . PRO A 1 337 ? 21.138 -11.834 -20.943 1.00 63.74 ? 335 PRO A O 1 ATOM 2574 C CB . PRO A 1 337 ? 21.550 -14.814 -20.123 1.00 57.38 ? 335 PRO A CB 1 ATOM 2575 C CG . PRO A 1 337 ? 20.605 -15.156 -21.235 1.00 54.04 ? 335 PRO A CG 1 ATOM 2576 C CD . PRO A 1 337 ? 19.239 -14.884 -20.696 1.00 55.43 ? 335 PRO A CD 1 ATOM 2577 N N . GLY A 1 338 ? 22.339 -11.719 -19.035 1.00 56.96 ? 336 GLY A N 1 ATOM 2578 C CA . GLY A 1 338 ? 22.985 -10.459 -19.357 1.00 60.36 ? 336 GLY A CA 1 ATOM 2579 C C . GLY A 1 338 ? 22.326 -9.260 -18.697 1.00 66.48 ? 336 GLY A C 1 ATOM 2580 O O . GLY A 1 338 ? 22.941 -8.199 -18.569 1.00 70.56 ? 336 GLY A O 1 ATOM 2581 N N . PHE A 1 339 ? 21.074 -9.436 -18.273 1.00 61.91 ? 337 PHE A N 1 ATOM 2582 C CA . PHE A 1 339 ? 20.272 -8.350 -17.712 1.00 56.49 ? 337 PHE A CA 1 ATOM 2583 C C . PHE A 1 339 ? 20.331 -8.275 -16.178 1.00 65.86 ? 337 PHE A C 1 ATOM 2584 O O . PHE A 1 339 ? 20.461 -9.297 -15.495 1.00 70.41 ? 337 PHE A O 1 ATOM 2585 C CB . PHE A 1 339 ? 18.823 -8.458 -18.199 1.00 47.74 ? 337 PHE A CB 1 ATOM 2586 C CG . PHE A 1 339 ? 18.655 -8.206 -19.687 1.00 48.81 ? 337 PHE A CG 1 ATOM 2587 C CD1 . PHE A 1 339 ? 18.813 -9.237 -20.603 1.00 47.49 ? 337 PHE A CD1 1 ATOM 2588 C CD2 . PHE A 1 339 ? 18.340 -6.937 -20.163 1.00 42.10 ? 337 PHE A CD2 1 ATOM 2589 C CE1 . PHE A 1 339 ? 18.667 -9.010 -21.966 1.00 42.95 ? 337 PHE A CE1 1 ATOM 2590 C CE2 . PHE A 1 339 ? 18.194 -6.702 -21.524 1.00 46.55 ? 337 PHE A CE2 1 ATOM 2591 C CZ . PHE A 1 339 ? 18.354 -7.743 -22.428 1.00 43.62 ? 337 PHE A CZ 1 ATOM 2592 N N . SER A 1 340 ? 20.244 -7.052 -15.655 1.00 61.46 ? 338 SER A N 1 ATOM 2593 C CA . SER A 1 340 ? 20.344 -6.784 -14.220 1.00 57.11 ? 338 SER A CA 1 ATOM 2594 C C . SER A 1 340 ? 19.750 -5.414 -13.939 1.00 54.37 ? 338 SER A C 1 ATOM 2595 O O . SER A 1 340 ? 19.952 -4.476 -14.707 1.00 57.21 ? 338 SER A O 1 ATOM 2596 C CB . SER A 1 340 ? 21.811 -6.820 -13.765 1.00 55.08 ? 338 SER A CB 1 ATOM 2597 O OG . SER A 1 340 ? 21.971 -6.399 -12.416 1.00 55.86 ? 338 SER A OG 1 ATOM 2598 N N . LYS A 1 341 ? 19.019 -5.279 -12.843 1.00 54.78 ? 339 LYS A N 1 ATOM 2599 C CA . LYS A 1 341 ? 18.467 -3.967 -12.528 1.00 56.63 ? 339 LYS A CA 1 ATOM 2600 C C . LYS A 1 341 ? 19.567 -3.056 -11.988 1.00 58.74 ? 339 LYS A C 1 ATOM 2601 O O . LYS A 1 341 ? 19.346 -1.870 -11.788 1.00 65.91 ? 339 LYS A O 1 ATOM 2602 C CB . LYS A 1 341 ? 17.288 -4.052 -11.546 1.00 45.86 ? 339 LYS A CB 1 ATOM 2603 C CG . LYS A 1 341 ? 17.667 -4.404 -10.117 1.00 44.24 ? 339 LYS A CG 1 ATOM 2604 C CD . LYS A 1 341 ? 16.561 -3.998 -9.155 1.00 49.94 ? 339 LYS A CD 1 ATOM 2605 C CE . LYS A 1 341 ? 16.986 -4.154 -7.702 1.00 53.21 ? 339 LYS A CE 1 ATOM 2606 N NZ . LYS A 1 341 ? 17.994 -3.142 -7.273 1.00 62.77 ? 339 LYS A NZ 1 ATOM 2607 N N . ASP A 1 342 ? 20.749 -3.618 -11.756 1.00 52.81 ? 340 ASP A N 1 ATOM 2608 C CA . ASP A 1 342 ? 21.892 -2.836 -11.277 1.00 62.81 ? 340 ASP A CA 1 ATOM 2609 C C . ASP A 1 342 ? 23.003 -2.732 -12.329 1.00 63.74 ? 340 ASP A C 1 ATOM 2610 O O . ASP A 1 342 ? 24.115 -2.321 -12.011 1.00 55.32 ? 340 ASP A O 1 ATOM 2611 C CB . ASP A 1 342 ? 22.464 -3.439 -9.989 1.00 61.30 ? 340 ASP A CB 1 ATOM 2612 C CG . ASP A 1 342 ? 21.406 -3.675 -8.932 1.00 65.13 ? 340 ASP A CG 1 ATOM 2613 O OD1 . ASP A 1 342 ? 20.746 -2.699 -8.513 1.00 63.68 ? 340 ASP A OD1 1 ATOM 2614 O OD2 . ASP A 1 342 ? 21.225 -4.842 -8.525 1.00 68.27 ? 340 ASP A OD2 1 ATOM 2615 N N . ASN A 1 343 ? 22.687 -3.129 -13.564 1.00 66.88 ? 341 ASN A N 1 ATOM 2616 C CA . ASN A 1 343 ? 23.578 -3.037 -14.724 1.00 69.25 ? 341 ASN A CA 1 ATOM 2617 C C . ASN A 1 343 ? 22.934 -2.150 -15.768 1.00 65.45 ? 341 ASN A C 1 ATOM 2618 O O . ASN A 1 343 ? 21.733 -1.895 -15.711 1.00 65.18 ? 341 ASN A O 1 ATOM 2619 C CB . ASN A 1 343 ? 23.730 -4.405 -15.395 1.00 69.77 ? 341 ASN A CB 1 ATOM 2620 C CG . ASN A 1 343 ? 24.940 -5.162 -14.932 1.00 74.76 ? 341 ASN A CG 1 ATOM 2621 O OD1 . ASN A 1 343 ? 25.490 -4.886 -13.879 1.00 81.75 ? 341 ASN A OD1 1 ATOM 2622 N ND2 . ASN A 1 343 ? 25.369 -6.129 -15.735 1.00 89.81 ? 341 ASN A ND2 1 ATOM 2623 N N . ASN A 1 344 ? 23.713 -1.724 -16.755 1.00 63.44 ? 342 ASN A N 1 ATOM 2624 C CA . ASN A 1 344 ? 23.126 -1.087 -17.927 1.00 62.98 ? 342 ASN A CA 1 ATOM 2625 C C . ASN A 1 344 ? 22.755 -2.145 -18.971 1.00 56.22 ? 342 ASN A C 1 ATOM 2626 O O . ASN A 1 344 ? 22.210 -1.826 -20.014 1.00 53.45 ? 342 ASN A O 1 ATOM 2627 C CB . ASN A 1 344 ? 24.048 -0.017 -18.512 1.00 62.79 ? 342 ASN A CB 1 ATOM 2628 C CG . ASN A 1 344 ? 25.241 -0.609 -19.231 1.00 74.82 ? 342 ASN A CG 1 ATOM 2629 O OD1 . ASN A 1 344 ? 25.623 -1.758 -18.994 1.00 76.76 ? 342 ASN A OD1 1 ATOM 2630 N ND2 . ASN A 1 344 ? 25.844 0.179 -20.112 1.00 78.53 ? 342 ASN A ND2 1 ATOM 2631 N N . SER A 1 345 ? 23.071 -3.403 -18.671 1.00 61.07 ? 343 SER A N 1 ATOM 2632 C CA . SER A 1 345 ? 22.574 -4.552 -19.436 1.00 61.00 ? 343 SER A CA 1 ATOM 2633 C C . SER A 1 345 ? 22.861 -4.515 -20.937 1.00 65.84 ? 343 SER A C 1 ATOM 2634 O O . SER A 1 345 ? 22.017 -4.901 -21.744 1.00 63.38 ? 343 SER A O 1 ATOM 2635 C CB . SER A 1 345 ? 21.068 -4.755 -19.204 1.00 51.81 ? 343 SER A CB 1 ATOM 2636 O OG . SER A 1 345 ? 20.779 -4.957 -17.827 1.00 48.17 ? 343 SER A OG 1 ATOM 2637 N N . ILE A 1 346 ? 24.046 -4.047 -21.309 1.00 70.74 ? 344 ILE A N 1 ATOM 2638 C CA . ILE A 1 346 ? 24.514 -4.203 -22.677 1.00 64.57 ? 344 ILE A CA 1 ATOM 2639 C C . ILE A 1 346 ? 24.731 -5.688 -22.920 1.00 65.63 ? 344 ILE A C 1 ATOM 2640 O O . ILE A 1 346 ? 25.510 -6.330 -22.222 1.00 71.01 ? 344 ILE A O 1 ATOM 2641 C CB . ILE A 1 346 ? 25.836 -3.457 -22.913 1.00 62.81 ? 344 ILE A CB 1 ATOM 2642 C CG1 . ILE A 1 346 ? 25.635 -1.950 -22.730 1.00 61.28 ? 344 ILE A CG1 1 ATOM 2643 C CG2 . ILE A 1 346 ? 26.389 -3.767 -24.299 1.00 54.30 ? 344 ILE A CG2 1 ATOM 2644 C CD1 . ILE A 1 346 ? 24.576 -1.363 -23.629 1.00 59.84 ? 344 ILE A CD1 1 ATOM 2645 N N . ILE A 1 347 ? 24.017 -6.243 -23.890 1.00 63.48 ? 345 ILE A N 1 ATOM 2646 C CA . ILE A 1 347 ? 24.139 -7.658 -24.184 1.00 63.10 ? 345 ILE A CA 1 ATOM 2647 C C . ILE A 1 347 ? 24.636 -7.865 -25.607 1.00 67.08 ? 345 ILE A C 1 ATOM 2648 O O . ILE A 1 347 ? 24.608 -6.945 -26.430 1.00 65.45 ? 345 ILE A O 1 ATOM 2649 C CB . ILE A 1 347 ? 22.810 -8.433 -23.967 1.00 56.07 ? 345 ILE A CB 1 ATOM 2650 C CG1 . ILE A 1 347 ? 21.735 -7.989 -24.965 1.00 53.07 ? 345 ILE A CG1 1 ATOM 2651 C CG2 . ILE A 1 347 ? 22.326 -8.288 -22.539 1.00 53.02 ? 345 ILE A CG2 1 ATOM 2652 C CD1 . ILE A 1 347 ? 20.515 -8.925 -25.010 1.00 42.24 ? 345 ILE A CD1 1 ATOM 2653 N N . THR A 1 348 ? 25.100 -9.078 -25.885 1.00 62.81 ? 346 THR A N 1 ATOM 2654 C CA . THR A 1 348 ? 25.617 -9.407 -27.199 1.00 62.45 ? 346 THR A CA 1 ATOM 2655 C C . THR A 1 348 ? 24.511 -10.003 -28.047 1.00 62.51 ? 346 THR A C 1 ATOM 2656 O O . THR A 1 348 ? 23.379 -10.165 -27.588 1.00 58.95 ? 346 THR A O 1 ATOM 2657 C CB . THR A 1 348 ? 26.702 -10.455 -27.090 1.00 60.24 ? 346 THR A CB 1 ATOM 2658 O OG1 . THR A 1 348 ? 26.124 -11.655 -26.564 1.00 58.89 ? 346 THR A OG1 1 ATOM 2659 C CG2 . THR A 1 348 ? 27.810 -9.975 -26.164 1.00 56.19 ? 346 THR A CG2 1 ATOM 2660 N N . ARG A 1 349 ? 24.854 -10.337 -29.285 1.00 60.16 ? 347 ARG A N 1 ATOM 2661 C CA . ARG A 1 349 ? 23.936 -11.021 -30.181 1.00 56.81 ? 347 ARG A CA 1 ATOM 2662 C C . ARG A 1 349 ? 23.593 -12.409 -29.637 1.00 63.27 ? 347 ARG A C 1 ATOM 2663 O O . ARG A 1 349 ? 22.452 -12.864 -29.734 1.00 67.39 ? 347 ARG A O 1 ATOM 2664 C CB . ARG A 1 349 ? 24.557 -11.136 -31.572 1.00 53.29 ? 347 ARG A CB 1 ATOM 2665 C CG . ARG A 1 349 ? 23.648 -11.766 -32.618 1.00 61.09 ? 347 ARG A CG 1 ATOM 2666 C CD . ARG A 1 349 ? 24.320 -11.760 -33.989 1.00 68.20 ? 347 ARG A CD 1 ATOM 2667 N NE . ARG A 1 349 ? 23.710 -12.709 -34.922 1.00 73.54 ? 347 ARG A NE 1 ATOM 2668 C CZ . ARG A 1 349 ? 22.821 -12.385 -35.857 1.00 74.46 ? 347 ARG A CZ 1 ATOM 2669 N NH1 . ARG A 1 349 ? 22.424 -11.119 -35.992 1.00 71.90 ? 347 ARG A NH1 1 ATOM 2670 N NH2 . ARG A 1 349 ? 22.331 -13.329 -36.659 1.00 68.69 ? 347 ARG A NH2 1 ATOM 2671 N N . LYS A 1 350 ? 24.587 -13.073 -29.060 1.00 63.19 ? 348 LYS A N 1 ATOM 2672 C CA . LYS A 1 350 ? 24.393 -14.412 -28.522 1.00 67.18 ? 348 LYS A CA 1 ATOM 2673 C C . LYS A 1 350 ? 23.508 -14.365 -27.281 1.00 64.05 ? 348 LYS A C 1 ATOM 2674 O O . LYS A 1 350 ? 22.710 -15.275 -27.046 1.00 65.88 ? 348 LYS A O 1 ATOM 2675 C CB . LYS A 1 350 ? 25.744 -15.097 -28.238 1.00 73.25 ? 348 LYS A CB 1 ATOM 2676 C CG . LYS A 1 350 ? 25.674 -16.408 -27.436 1.00 81.98 ? 348 LYS A CG 1 ATOM 2677 C CD . LYS A 1 350 ? 24.703 -17.438 -28.030 1.00 90.25 ? 348 LYS A CD 1 ATOM 2678 C CE . LYS A 1 350 ? 25.060 -17.844 -29.460 1.00 96.05 ? 348 LYS A CE 1 ATOM 2679 N NZ . LYS A 1 350 ? 24.005 -18.722 -30.060 1.00 94.89 ? 348 LYS A NZ 1 ATOM 2680 N N . GLU A 1 351 ? 23.632 -13.298 -26.497 1.00 58.99 ? 349 GLU A N 1 ATOM 2681 C CA . GLU A 1 351 ? 22.774 -13.132 -25.325 1.00 63.10 ? 349 GLU A CA 1 ATOM 2682 C C . GLU A 1 351 ? 21.323 -12.889 -25.741 1.00 58.28 ? 349 GLU A C 1 ATOM 2683 O O . GLU A 1 351 ? 20.392 -13.438 -25.144 1.00 58.90 ? 349 GLU A O 1 ATOM 2684 C CB . GLU A 1 351 ? 23.300 -12.022 -24.411 1.00 69.37 ? 349 GLU A CB 1 ATOM 2685 C CG . GLU A 1 351 ? 24.424 -12.495 -23.477 1.00 70.43 ? 349 GLU A CG 1 ATOM 2686 C CD . GLU A 1 351 ? 25.308 -11.364 -22.975 1.00 71.47 ? 349 GLU A CD 1 ATOM 2687 O OE1 . GLU A 1 351 ? 25.733 -10.521 -23.797 1.00 75.08 ? 349 GLU A OE1 1 ATOM 2688 O OE2 . GLU A 1 351 ? 25.587 -11.329 -21.760 1.00 68.43 ? 349 GLU A OE2 1 ATOM 2689 N N . PHE A 1 352 ? 21.155 -12.076 -26.780 1.00 51.06 ? 350 PHE A N 1 ATOM 2690 C CA . PHE A 1 352 ? 19.869 -11.858 -27.424 1.00 48.11 ? 350 PHE A CA 1 ATOM 2691 C C . PHE A 1 352 ? 19.208 -13.178 -27.838 1.00 48.64 ? 350 PHE A C 1 ATOM 2692 O O . PHE A 1 352 ? 18.051 -13.439 -27.501 1.00 52.76 ? 350 PHE A O 1 ATOM 2693 C CB . PHE A 1 352 ? 20.065 -10.974 -28.656 1.00 47.18 ? 350 PHE A CB 1 ATOM 2694 C CG . PHE A 1 352 ? 18.800 -10.684 -29.400 1.00 40.74 ? 350 PHE A CG 1 ATOM 2695 C CD1 . PHE A 1 352 ? 17.929 -9.696 -28.956 1.00 42.24 ? 350 PHE A CD1 1 ATOM 2696 C CD2 . PHE A 1 352 ? 18.480 -11.387 -30.545 1.00 43.75 ? 350 PHE A CD2 1 ATOM 2697 C CE1 . PHE A 1 352 ? 16.755 -9.407 -29.649 1.00 43.18 ? 350 PHE A CE1 1 ATOM 2698 C CE2 . PHE A 1 352 ? 17.302 -11.111 -31.245 1.00 51.01 ? 350 PHE A CE2 1 ATOM 2699 C CZ . PHE A 1 352 ? 16.439 -10.115 -30.793 1.00 43.34 ? 350 PHE A CZ 1 ATOM 2700 N N . GLN A 1 353 ? 19.945 -14.004 -28.572 1.00 44.76 ? 351 GLN A N 1 ATOM 2701 C CA . GLN A 1 353 ? 19.448 -15.310 -28.995 1.00 45.53 ? 351 GLN A CA 1 ATOM 2702 C C . GLN A 1 353 ? 19.070 -16.226 -27.829 1.00 55.27 ? 351 GLN A C 1 ATOM 2703 O O . GLN A 1 353 ? 18.129 -17.014 -27.932 1.00 57.80 ? 351 GLN A O 1 ATOM 2704 C CB . GLN A 1 353 ? 20.460 -15.989 -29.905 1.00 46.97 ? 351 GLN A CB 1 ATOM 2705 C CG . GLN A 1 353 ? 20.368 -15.511 -31.341 1.00 54.50 ? 351 GLN A CG 1 ATOM 2706 C CD . GLN A 1 353 ? 21.557 -15.927 -32.175 1.00 61.50 ? 351 GLN A CD 1 ATOM 2707 O OE1 . GLN A 1 353 ? 22.705 -15.831 -31.741 1.00 61.59 ? 351 GLN A OE1 1 ATOM 2708 N NE2 . GLN A 1 353 ? 21.289 -16.393 -33.383 1.00 67.76 ? 351 GLN A NE2 1 ATOM 2709 N N . GLU A 1 354 ? 19.795 -16.117 -26.719 1.00 59.20 ? 352 GLU A N 1 ATOM 2710 C CA . GLU A 1 354 ? 19.475 -16.901 -25.533 1.00 60.51 ? 352 GLU A CA 1 ATOM 2711 C C . GLU A 1 354 ? 18.222 -16.362 -24.865 1.00 58.12 ? 352 GLU A C 1 ATOM 2712 O O . GLU A 1 354 ? 17.413 -17.124 -24.337 1.00 59.88 ? 352 GLU A O 1 ATOM 2713 C CB . GLU A 1 354 ? 20.649 -16.921 -24.551 1.00 74.80 ? 352 GLU A CB 1 ATOM 2714 C CG . GLU A 1 354 ? 21.807 -17.812 -24.991 1.00 87.67 ? 352 GLU A CG 1 ATOM 2715 C CD . GLU A 1 354 ? 21.345 -19.202 -25.416 1.00 98.32 ? 352 GLU A CD 1 ATOM 2716 O OE1 . GLU A 1 354 ? 20.635 -19.865 -24.623 1.00 100.18 ? 352 GLU A OE1 1 ATOM 2717 O OE2 . GLU A 1 354 ? 21.682 -19.625 -26.547 1.00 99.81 ? 352 GLU A OE2 1 ATOM 2718 N N . GLY A 1 355 ? 18.065 -15.042 -24.894 1.00 54.93 ? 353 GLY A N 1 ATOM 2719 C CA . GLY A 1 355 ? 16.849 -14.412 -24.415 1.00 47.05 ? 353 GLY A CA 1 ATOM 2720 C C . GLY A 1 355 ? 15.634 -14.899 -25.190 1.00 48.95 ? 353 GLY A C 1 ATOM 2721 O O . GLY A 1 355 ? 14.598 -15.196 -24.601 1.00 50.67 ? 353 GLY A O 1 ATOM 2722 N N . LEU A 1 356 ? 15.770 -15.000 -26.512 1.00 48.50 ? 354 LEU A N 1 ATOM 2723 C CA . LEU A 1 356 ? 14.701 -15.528 -27.357 1.00 42.65 ? 354 LEU A CA 1 ATOM 2724 C C . LEU A 1 356 ? 14.271 -16.948 -26.965 1.00 50.14 ? 354 LEU A C 1 ATOM 2725 O O . LEU A 1 356 ? 13.078 -17.257 -26.963 1.00 55.63 ? 354 LEU A O 1 ATOM 2726 C CB . LEU A 1 356 ? 15.094 -15.473 -28.834 1.00 39.11 ? 354 LEU A CB 1 ATOM 2727 C CG . LEU A 1 356 ? 15.235 -14.085 -29.482 1.00 45.57 ? 354 LEU A CG 1 ATOM 2728 C CD1 . LEU A 1 356 ? 15.368 -14.198 -30.995 1.00 44.67 ? 354 LEU A CD1 1 ATOM 2729 C CD2 . LEU A 1 356 ? 14.082 -13.137 -29.100 1.00 31.30 ? 354 LEU A CD2 1 ATOM 2730 N N . LYS A 1 357 ? 15.228 -17.808 -26.620 1.00 49.88 ? 355 LYS A N 1 ATOM 2731 C CA . LYS A 1 357 ? 14.878 -19.166 -26.217 1.00 61.58 ? 355 LYS A CA 1 ATOM 2732 C C . LYS A 1 357 ? 14.139 -19.170 -24.879 1.00 61.99 ? 355 LYS A C 1 ATOM 2733 O O . LYS A 1 357 ? 13.314 -20.046 -24.621 1.00 62.98 ? 355 LYS A O 1 ATOM 2734 C CB . LYS A 1 357 ? 16.111 -20.067 -26.147 1.00 71.48 ? 355 LYS A CB 1 ATOM 2735 C CG . LYS A 1 357 ? 15.764 -21.544 -26.016 1.00 79.77 ? 355 LYS A CG 1 ATOM 2736 C CD . LYS A 1 357 ? 16.588 -22.230 -24.932 1.00 92.07 ? 355 LYS A CD 1 ATOM 2737 C CE . LYS A 1 357 ? 16.190 -21.772 -23.523 1.00 98.88 ? 355 LYS A CE 1 ATOM 2738 N NZ . LYS A 1 357 ? 14.808 -22.189 -23.111 1.00 96.95 ? 355 LYS A NZ 1 ATOM 2739 N N . ILE A 1 358 ? 14.436 -18.180 -24.040 1.00 59.95 ? 356 ILE A N 1 ATOM 2740 C CA . ILE A 1 358 ? 13.763 -18.015 -22.753 1.00 52.70 ? 356 ILE A CA 1 ATOM 2741 C C . ILE A 1 358 ? 12.311 -17.610 -22.951 1.00 55.21 ? 356 ILE A C 1 ATOM 2742 O O . ILE A 1 358 ? 11.399 -18.183 -22.352 1.00 59.24 ? 356 ILE A O 1 ATOM 2743 C CB . ILE A 1 358 ? 14.449 -16.933 -21.908 1.00 53.71 ? 356 ILE A CB 1 ATOM 2744 C CG1 . ILE A 1 358 ? 15.875 -17.355 -21.542 1.00 58.56 ? 356 ILE A CG1 1 ATOM 2745 C CG2 . ILE A 1 358 ? 13.644 -16.635 -20.651 1.00 52.45 ? 356 ILE A CG2 1 ATOM 2746 C CD1 . ILE A 1 358 ? 15.939 -18.557 -20.640 1.00 56.47 ? 356 ILE A CD1 1 ATOM 2747 N N . PHE A 1 359 ? 12.095 -16.619 -23.804 1.00 50.35 ? 357 PHE A N 1 ATOM 2748 C CA . PHE A 1 359 ? 10.754 -16.086 -24.003 1.00 48.01 ? 357 PHE A CA 1 ATOM 2749 C C . PHE A 1 359 ? 9.961 -16.838 -25.060 1.00 47.50 ? 357 PHE A C 1 ATOM 2750 O O . PHE A 1 359 ? 8.734 -16.733 -25.115 1.00 42.57 ? 357 PHE A O 1 ATOM 2751 C CB . PHE A 1 359 ? 10.818 -14.596 -24.314 1.00 40.85 ? 357 PHE A CB 1 ATOM 2752 C CG . PHE A 1 359 ? 11.199 -13.767 -23.129 1.00 47.06 ? 357 PHE A CG 1 ATOM 2753 C CD1 . PHE A 1 359 ? 10.229 -13.341 -22.226 1.00 45.35 ? 357 PHE A CD1 1 ATOM 2754 C CD2 . PHE A 1 359 ? 12.528 -13.429 -22.898 1.00 47.55 ? 357 PHE A CD2 1 ATOM 2755 C CE1 . PHE A 1 359 ? 10.575 -12.575 -21.109 1.00 44.17 ? 357 PHE A CE1 1 ATOM 2756 C CE2 . PHE A 1 359 ? 12.889 -12.662 -21.784 1.00 46.01 ? 357 PHE A CE2 1 ATOM 2757 C CZ . PHE A 1 359 ? 11.909 -12.242 -20.883 1.00 40.36 ? 357 PHE A CZ 1 ATOM 2758 N N . PHE A 1 360 ? 10.657 -17.621 -25.881 1.00 41.39 ? 358 PHE A N 1 ATOM 2759 C CA . PHE A 1 360 ? 9.984 -18.396 -26.906 1.00 37.07 ? 358 PHE A CA 1 ATOM 2760 C C . PHE A 1 360 ? 10.459 -19.856 -26.898 1.00 53.19 ? 358 PHE A C 1 ATOM 2761 O O . PHE A 1 360 ? 11.040 -20.341 -27.882 1.00 53.81 ? 358 PHE A O 1 ATOM 2762 C CB . PHE A 1 360 ? 10.217 -17.746 -28.267 1.00 37.01 ? 358 PHE A CB 1 ATOM 2763 C CG . PHE A 1 360 ? 9.703 -16.342 -28.358 1.00 44.38 ? 358 PHE A CG 1 ATOM 2764 C CD1 . PHE A 1 360 ? 8.388 -16.094 -28.737 1.00 40.22 ? 358 PHE A CD1 1 ATOM 2765 C CD2 . PHE A 1 360 ? 10.524 -15.265 -28.053 1.00 37.11 ? 358 PHE A CD2 1 ATOM 2766 C CE1 . PHE A 1 360 ? 7.907 -14.808 -28.816 1.00 32.48 ? 358 PHE A CE1 1 ATOM 2767 C CE2 . PHE A 1 360 ? 10.044 -13.979 -28.130 1.00 37.18 ? 358 PHE A CE2 1 ATOM 2768 C CZ . PHE A 1 360 ? 8.734 -13.747 -28.519 1.00 37.96 ? 358 PHE A CZ 1 ATOM 2769 N N . PRO A 1 361 ? 10.185 -20.571 -25.793 1.00 57.57 ? 359 PRO A N 1 ATOM 2770 C CA . PRO A 1 361 ? 10.755 -21.907 -25.552 1.00 64.57 ? 359 PRO A CA 1 ATOM 2771 C C . PRO A 1 361 ? 10.438 -22.914 -26.655 1.00 71.20 ? 359 PRO A C 1 ATOM 2772 O O . PRO A 1 361 ? 11.322 -23.679 -27.064 1.00 77.99 ? 359 PRO A O 1 ATOM 2773 C CB . PRO A 1 361 ? 10.090 -22.346 -24.239 1.00 60.15 ? 359 PRO A CB 1 ATOM 2774 C CG . PRO A 1 361 ? 9.619 -21.070 -23.596 1.00 60.61 ? 359 PRO A CG 1 ATOM 2775 C CD . PRO A 1 361 ? 9.228 -20.186 -24.740 1.00 50.65 ? 359 PRO A CD 1 ATOM 2776 N N . GLY A 1 362 ? 9.198 -22.903 -27.134 1.00 62.96 ? 360 GLY A N 1 ATOM 2777 C CA . GLY A 1 362 ? 8.749 -23.901 -28.085 1.00 62.69 ? 360 GLY A CA 1 ATOM 2778 C C . GLY A 1 362 ? 8.886 -23.517 -29.546 1.00 63.76 ? 360 GLY A C 1 ATOM 2779 O O . GLY A 1 362 ? 8.448 -24.258 -30.424 1.00 62.37 ? 360 GLY A O 1 ATOM 2780 N N . VAL A 1 363 ? 9.489 -22.366 -29.820 1.00 61.18 ? 361 VAL A N 1 ATOM 2781 C CA . VAL A 1 363 ? 9.574 -21.882 -31.195 1.00 58.21 ? 361 VAL A CA 1 ATOM 2782 C C . VAL A 1 363 ? 10.784 -22.449 -31.931 1.00 57.74 ? 361 VAL A C 1 ATOM 2783 O O . VAL A 1 363 ? 11.877 -22.533 -31.376 1.00 63.78 ? 361 VAL A O 1 ATOM 2784 C CB . VAL A 1 363 ? 9.585 -20.343 -31.250 1.00 54.63 ? 361 VAL A CB 1 ATOM 2785 C CG1 . VAL A 1 363 ? 9.765 -19.858 -32.677 1.00 55.45 ? 361 VAL A CG1 1 ATOM 2786 C CG2 . VAL A 1 363 ? 8.299 -19.792 -30.655 1.00 47.61 ? 361 VAL A CG2 1 ATOM 2787 N N . SER A 1 364 ? 10.568 -22.848 -33.181 1.00 56.25 ? 362 SER A N 1 ATOM 2788 C CA . SER A 1 364 ? 11.619 -23.405 -34.032 1.00 52.66 ? 362 SER A CA 1 ATOM 2789 C C . SER A 1 364 ? 12.780 -22.445 -34.271 1.00 55.62 ? 362 SER A C 1 ATOM 2790 O O . SER A 1 364 ? 12.674 -21.236 -34.054 1.00 55.23 ? 362 SER A O 1 ATOM 2791 C CB . SER A 1 364 ? 11.035 -23.804 -35.381 1.00 56.52 ? 362 SER A CB 1 ATOM 2792 O OG . SER A 1 364 ? 10.512 -22.661 -36.035 1.00 66.56 ? 362 SER A OG 1 ATOM 2793 N N . GLU A 1 365 ? 13.890 -22.999 -34.740 1.00 60.07 ? 363 GLU A N 1 ATOM 2794 C CA . GLU A 1 365 ? 15.099 -22.223 -34.928 1.00 61.30 ? 363 GLU A CA 1 ATOM 2795 C C . GLU A 1 365 ? 14.865 -21.151 -35.974 1.00 62.38 ? 363 GLU A C 1 ATOM 2796 O O . GLU A 1 365 ? 15.377 -20.038 -35.857 1.00 53.79 ? 363 GLU A O 1 ATOM 2797 C CB . GLU A 1 365 ? 16.265 -23.136 -35.309 1.00 63.99 ? 363 GLU A CB 1 ATOM 2798 C CG . GLU A 1 365 ? 17.201 -23.437 -34.146 1.00 77.83 ? 363 GLU A CG 1 ATOM 2799 C CD . GLU A 1 365 ? 16.454 -23.745 -32.850 1.00 96.00 ? 363 GLU A CD 1 ATOM 2800 O OE1 . GLU A 1 365 ? 15.529 -24.588 -32.876 1.00 106.32 ? 363 GLU A OE1 1 ATOM 2801 O OE2 . GLU A 1 365 ? 16.790 -23.148 -31.801 1.00 95.25 ? 363 GLU A OE2 1 ATOM 2802 N N . PHE A 1 366 ? 14.062 -21.490 -36.979 1.00 69.37 ? 364 PHE A N 1 ATOM 2803 C CA . PHE A 1 366 ? 13.746 -20.564 -38.060 1.00 71.37 ? 364 PHE A CA 1 ATOM 2804 C C . PHE A 1 366 ? 12.735 -19.512 -37.605 1.00 66.59 ? 364 PHE A C 1 ATOM 2805 O O . PHE A 1 366 ? 12.734 -18.379 -38.085 1.00 61.98 ? 364 PHE A O 1 ATOM 2806 C CB . PHE A 1 366 ? 13.242 -21.324 -39.291 1.00 81.06 ? 364 PHE A CB 1 ATOM 2807 C CG . PHE A 1 366 ? 14.322 -22.095 -40.011 1.00 98.52 ? 364 PHE A CG 1 ATOM 2808 C CD1 . PHE A 1 366 ? 15.657 -21.740 -39.869 1.00 103.32 ? 364 PHE A CD1 1 ATOM 2809 C CD2 . PHE A 1 366 ? 14.006 -23.171 -40.830 1.00 103.67 ? 364 PHE A CD2 1 ATOM 2810 C CE1 . PHE A 1 366 ? 16.655 -22.442 -40.527 1.00 106.23 ? 364 PHE A CE1 1 ATOM 2811 C CE2 . PHE A 1 366 ? 15.000 -23.876 -41.487 1.00 106.21 ? 364 PHE A CE2 1 ATOM 2812 C CZ . PHE A 1 366 ? 16.324 -23.510 -41.337 1.00 107.18 ? 364 PHE A CZ 1 ATOM 2813 N N . GLY A 1 367 ? 11.874 -19.891 -36.673 1.00 62.11 ? 365 GLY A N 1 ATOM 2814 C CA . GLY A 1 367 ? 10.953 -18.939 -36.105 1.00 54.52 ? 365 GLY A CA 1 ATOM 2815 C C . GLY A 1 367 ? 11.734 -17.884 -35.354 1.00 56.25 ? 365 GLY A C 1 ATOM 2816 O O . GLY A 1 367 ? 11.432 -16.693 -35.436 1.00 53.94 ? 365 GLY A O 1 ATOM 2817 N N . LYS A 1 368 ? 12.751 -18.323 -34.621 1.00 56.47 ? 366 LYS A N 1 ATOM 2818 C CA . LYS A 1 368 ? 13.540 -17.408 -33.805 1.00 54.52 ? 366 LYS A CA 1 ATOM 2819 C C . LYS A 1 368 ? 14.430 -16.540 -34.677 1.00 50.35 ? 366 LYS A C 1 ATOM 2820 O O . LYS A 1 368 ? 14.561 -15.340 -34.446 1.00 58.66 ? 366 LYS A O 1 ATOM 2821 C CB . LYS A 1 368 ? 14.357 -18.166 -32.753 1.00 51.07 ? 366 LYS A CB 1 ATOM 2822 C CG . LYS A 1 368 ? 13.523 -18.629 -31.557 1.00 55.48 ? 366 LYS A CG 1 ATOM 2823 C CD . LYS A 1 368 ? 14.344 -19.406 -30.530 1.00 65.66 ? 366 LYS A CD 1 ATOM 2824 C CE . LYS A 1 368 ? 14.522 -20.883 -30.907 1.00 73.86 ? 366 LYS A CE 1 ATOM 2825 N NZ . LYS A 1 368 ? 13.672 -21.794 -30.076 1.00 77.10 ? 366 LYS A NZ 1 ATOM 2826 N N . GLU A 1 369 ? 15.024 -17.163 -35.686 1.00 44.57 ? 367 GLU A N 1 ATOM 2827 C CA . GLU A 1 369 ? 15.874 -16.483 -36.647 1.00 52.95 ? 367 GLU A CA 1 ATOM 2828 C C . GLU A 1 369 ? 15.134 -15.347 -37.360 1.00 55.77 ? 367 GLU A C 1 ATOM 2829 O O . GLU A 1 369 ? 15.715 -14.299 -37.643 1.00 58.30 ? 367 GLU A O 1 ATOM 2830 C CB . GLU A 1 369 ? 16.416 -17.493 -37.669 1.00 58.59 ? 367 GLU A CB 1 ATOM 2831 C CG . GLU A 1 369 ? 17.165 -16.868 -38.838 1.00 69.25 ? 367 GLU A CG 1 ATOM 2832 C CD . GLU A 1 369 ? 18.425 -16.125 -38.408 1.00 80.48 ? 367 GLU A CD 1 ATOM 2833 O OE1 . GLU A 1 369 ? 19.261 -16.733 -37.703 1.00 82.62 ? 367 GLU A OE1 1 ATOM 2834 O OE2 . GLU A 1 369 ? 18.575 -14.934 -38.774 1.00 81.98 ? 367 GLU A OE2 1 ATOM 2835 N N . SER A 1 370 ? 13.852 -15.551 -37.642 1.00 50.37 ? 368 SER A N 1 ATOM 2836 C CA . SER A 1 370 ? 13.059 -14.512 -38.292 1.00 49.02 ? 368 SER A CA 1 ATOM 2837 C C . SER A 1 370 ? 12.648 -13.367 -37.333 1.00 46.34 ? 368 SER A C 1 ATOM 2838 O O . SER A 1 370 ? 12.549 -12.222 -37.754 1.00 46.96 ? 368 SER A O 1 ATOM 2839 C CB . SER A 1 370 ? 11.862 -15.111 -39.038 1.00 47.78 ? 368 SER A CB 1 ATOM 2840 O OG . SER A 1 370 ? 10.880 -15.603 -38.152 1.00 57.80 ? 368 SER A OG 1 ATOM 2841 N N . ILE A 1 371 ? 12.426 -13.672 -36.056 1.00 45.63 ? 369 ILE A N 1 ATOM 2842 C CA . ILE A 1 371 ? 12.242 -12.624 -35.054 1.00 42.61 ? 369 ILE A CA 1 ATOM 2843 C C . ILE A 1 371 ? 13.520 -11.798 -34.979 1.00 45.49 ? 369 ILE A C 1 ATOM 2844 O O . ILE A 1 371 ? 13.486 -10.566 -34.915 1.00 46.09 ? 369 ILE A O 1 ATOM 2845 C CB . ILE A 1 371 ? 11.994 -13.182 -33.649 1.00 40.37 ? 369 ILE A CB 1 ATOM 2846 C CG1 . ILE A 1 371 ? 10.772 -14.094 -33.613 1.00 46.13 ? 369 ILE A CG1 1 ATOM 2847 C CG2 . ILE A 1 371 ? 11.789 -12.049 -32.676 1.00 41.93 ? 369 ILE A CG2 1 ATOM 2848 C CD1 . ILE A 1 371 ? 10.564 -14.783 -32.242 1.00 45.75 ? 369 ILE A CD1 1 ATOM 2849 N N . LEU A 1 372 ? 14.653 -12.492 -34.997 1.00 46.87 ? 370 LEU A N 1 ATOM 2850 C CA . LEU A 1 372 ? 15.940 -11.822 -34.983 1.00 44.72 ? 370 LEU A CA 1 ATOM 2851 C C . LEU A 1 372 ? 16.099 -10.897 -36.198 1.00 49.13 ? 370 LEU A C 1 ATOM 2852 O O . LEU A 1 372 ? 16.457 -9.725 -36.051 1.00 50.85 ? 370 LEU A O 1 ATOM 2853 C CB . LEU A 1 372 ? 17.085 -12.832 -34.893 1.00 40.21 ? 370 LEU A CB 1 ATOM 2854 C CG . LEU A 1 372 ? 18.470 -12.174 -34.908 1.00 50.32 ? 370 LEU A CG 1 ATOM 2855 C CD1 . LEU A 1 372 ? 19.362 -12.697 -33.801 1.00 50.35 ? 370 LEU A CD1 1 ATOM 2856 C CD2 . LEU A 1 372 ? 19.132 -12.366 -36.260 1.00 57.83 ? 370 LEU A CD2 1 ATOM 2857 N N . PHE A 1 373 ? 15.814 -11.418 -37.389 1.00 36.72 ? 371 PHE A N 1 ATOM 2858 C CA . PHE A 1 373 ? 15.921 -10.622 -38.598 1.00 34.32 ? 371 PHE A CA 1 ATOM 2859 C C . PHE A 1 373 ? 15.031 -9.382 -38.533 1.00 45.48 ? 371 PHE A C 1 ATOM 2860 O O . PHE A 1 373 ? 15.453 -8.274 -38.874 1.00 44.16 ? 371 PHE A O 1 ATOM 2861 C CB . PHE A 1 373 ? 15.552 -11.454 -39.825 1.00 38.42 ? 371 PHE A CB 1 ATOM 2862 C CG . PHE A 1 373 ? 15.700 -10.714 -41.127 1.00 38.68 ? 371 PHE A CG 1 ATOM 2863 C CD1 . PHE A 1 373 ? 16.948 -10.556 -41.712 1.00 44.25 ? 371 PHE A CD1 1 ATOM 2864 C CD2 . PHE A 1 373 ? 14.591 -10.179 -41.769 1.00 36.24 ? 371 PHE A CD2 1 ATOM 2865 C CE1 . PHE A 1 373 ? 17.089 -9.878 -42.923 1.00 49.07 ? 371 PHE A CE1 1 ATOM 2866 C CE2 . PHE A 1 373 ? 14.724 -9.497 -42.979 1.00 38.43 ? 371 PHE A CE2 1 ATOM 2867 C CZ . PHE A 1 373 ? 15.973 -9.346 -43.555 1.00 41.74 ? 371 PHE A CZ 1 ATOM 2868 N N . HIS A 1 374 ? 13.799 -9.577 -38.084 1.00 40.14 ? 372 HIS A N 1 ATOM 2869 C CA . HIS A 1 374 ? 12.841 -8.497 -38.071 1.00 38.91 ? 372 HIS A CA 1 ATOM 2870 C C . HIS A 1 374 ? 13.212 -7.379 -37.089 1.00 49.11 ? 372 HIS A C 1 ATOM 2871 O O . HIS A 1 374 ? 12.830 -6.229 -37.288 1.00 57.53 ? 372 HIS A O 1 ATOM 2872 C CB . HIS A 1 374 ? 11.440 -9.026 -37.783 1.00 40.40 ? 372 HIS A CB 1 ATOM 2873 C CG . HIS A 1 374 ? 10.356 -8.129 -38.280 1.00 53.01 ? 372 HIS A CG 1 ATOM 2874 N ND1 . HIS A 1 374 ? 9.975 -8.089 -39.604 1.00 60.13 ? 372 HIS A ND1 1 ATOM 2875 C CD2 . HIS A 1 374 ? 9.596 -7.209 -37.641 1.00 56.81 ? 372 HIS A CD2 1 ATOM 2876 C CE1 . HIS A 1 374 ? 9.015 -7.194 -39.756 1.00 60.60 ? 372 HIS A CE1 1 ATOM 2877 N NE2 . HIS A 1 374 ? 8.766 -6.647 -38.579 1.00 59.28 ? 372 HIS A NE2 1 ATOM 2878 N N . TYR A 1 375 ? 13.973 -7.706 -36.051 1.00 49.18 ? 373 TYR A N 1 ATOM 2879 C CA . TYR A 1 375 ? 14.284 -6.728 -35.000 1.00 50.30 ? 373 TYR A CA 1 ATOM 2880 C C . TYR A 1 375 ? 15.697 -6.145 -35.026 1.00 52.54 ? 373 TYR A C 1 ATOM 2881 O O . TYR A 1 375 ? 16.099 -5.465 -34.086 1.00 45.30 ? 373 TYR A O 1 ATOM 2882 C CB . TYR A 1 375 ? 13.966 -7.309 -33.609 1.00 43.47 ? 373 TYR A CB 1 ATOM 2883 C CG . TYR A 1 375 ? 12.518 -7.123 -33.284 1.00 40.34 ? 373 TYR A CG 1 ATOM 2884 C CD1 . TYR A 1 375 ? 11.564 -8.013 -33.753 1.00 34.96 ? 373 TYR A CD1 1 ATOM 2885 C CD2 . TYR A 1 375 ? 12.090 -6.013 -32.564 1.00 39.65 ? 373 TYR A CD2 1 ATOM 2886 C CE1 . TYR A 1 375 ? 10.222 -7.811 -33.494 1.00 38.46 ? 373 TYR A CE1 1 ATOM 2887 C CE2 . TYR A 1 375 ? 10.747 -5.808 -32.290 1.00 33.31 ? 373 TYR A CE2 1 ATOM 2888 C CZ . TYR A 1 375 ? 9.822 -6.704 -32.765 1.00 38.09 ? 373 TYR A CZ 1 ATOM 2889 O OH . TYR A 1 375 ? 8.495 -6.509 -32.495 1.00 46.07 ? 373 TYR A OH 1 ATOM 2890 N N . THR A 1 376 ? 16.441 -6.391 -36.102 1.00 60.61 ? 374 THR A N 1 ATOM 2891 C CA . THR A 1 376 ? 17.836 -5.950 -36.156 1.00 62.01 ? 374 THR A CA 1 ATOM 2892 C C . THR A 1 376 ? 18.196 -5.015 -37.305 1.00 54.55 ? 374 THR A C 1 ATOM 2893 O O . THR A 1 376 ? 19.374 -4.783 -37.550 1.00 54.06 ? 374 THR A O 1 ATOM 2894 C CB . THR A 1 376 ? 18.835 -7.138 -36.162 1.00 48.04 ? 374 THR A CB 1 ATOM 2895 O OG1 . THR A 1 376 ? 18.603 -7.964 -37.316 1.00 46.40 ? 374 THR A OG1 1 ATOM 2896 C CG2 . THR A 1 376 ? 18.712 -7.952 -34.869 1.00 40.95 ? 374 THR A CG2 1 ATOM 2897 N N . ASP A 1 377 ? 17.208 -4.468 -38.007 1.00 52.62 ? 375 ASP A N 1 ATOM 2898 C CA . ASP A 1 377 ? 17.520 -3.446 -39.007 1.00 54.55 ? 375 ASP A CA 1 ATOM 2899 C C . ASP A 1 377 ? 17.914 -2.163 -38.278 1.00 50.70 ? 375 ASP A C 1 ATOM 2900 O O . ASP A 1 377 ? 17.086 -1.275 -38.124 1.00 44.58 ? 375 ASP A O 1 ATOM 2901 C CB . ASP A 1 377 ? 16.319 -3.175 -39.913 1.00 54.88 ? 375 ASP A CB 1 ATOM 2902 C CG . ASP A 1 377 ? 16.707 -2.460 -41.197 1.00 65.96 ? 375 ASP A CG 1 ATOM 2903 O OD1 . ASP A 1 377 ? 17.892 -2.063 -41.328 1.00 68.57 ? 375 ASP A OD1 1 ATOM 2904 O OD2 . ASP A 1 377 ? 15.828 -2.298 -42.078 1.00 67.92 ? 375 ASP A OD2 1 ATOM 2905 N N . TRP A 1 378 ? 19.164 -2.074 -37.821 1.00 52.97 ? 376 TRP A N 1 ATOM 2906 C CA . TRP A 1 378 ? 19.576 -0.989 -36.926 1.00 54.85 ? 376 TRP A CA 1 ATOM 2907 C C . TRP A 1 378 ? 19.579 0.363 -37.619 1.00 57.35 ? 376 TRP A C 1 ATOM 2908 O O . TRP A 1 378 ? 20.042 0.484 -38.750 1.00 60.75 ? 376 TRP A O 1 ATOM 2909 C CB . TRP A 1 378 ? 20.990 -1.207 -36.376 1.00 56.37 ? 376 TRP A CB 1 ATOM 2910 C CG . TRP A 1 378 ? 21.291 -2.541 -35.763 1.00 52.72 ? 376 TRP A CG 1 ATOM 2911 C CD1 . TRP A 1 378 ? 22.341 -3.357 -36.071 1.00 52.41 ? 376 TRP A CD1 1 ATOM 2912 C CD2 . TRP A 1 378 ? 20.559 -3.204 -34.723 1.00 45.44 ? 376 TRP A CD2 1 ATOM 2913 N NE1 . TRP A 1 378 ? 22.306 -4.488 -35.297 1.00 53.80 ? 376 TRP A NE1 1 ATOM 2914 C CE2 . TRP A 1 378 ? 21.221 -4.422 -34.462 1.00 48.86 ? 376 TRP A CE2 1 ATOM 2915 C CE3 . TRP A 1 378 ? 19.409 -2.890 -33.993 1.00 48.35 ? 376 TRP A CE3 1 ATOM 2916 C CZ2 . TRP A 1 378 ? 20.775 -5.326 -33.496 1.00 50.39 ? 376 TRP A CZ2 1 ATOM 2917 C CZ3 . TRP A 1 378 ? 18.958 -3.792 -33.035 1.00 54.36 ? 376 TRP A CZ3 1 ATOM 2918 C CH2 . TRP A 1 378 ? 19.641 -4.998 -32.798 1.00 55.40 ? 376 TRP A CH2 1 ATOM 2919 N N . VAL A 1 379 ? 19.083 1.385 -36.934 1.00 58.35 ? 377 VAL A N 1 ATOM 2920 C CA . VAL A 1 379 ? 19.321 2.749 -37.383 1.00 64.38 ? 377 VAL A CA 1 ATOM 2921 C C . VAL A 1 379 ? 20.824 3.023 -37.319 1.00 64.85 ? 377 VAL A C 1 ATOM 2922 O O . VAL A 1 379 ? 21.424 3.490 -38.288 1.00 69.23 ? 377 VAL A O 1 ATOM 2923 C CB . VAL A 1 379 ? 18.563 3.776 -36.521 1.00 59.99 ? 377 VAL A CB 1 ATOM 2924 C CG1 . VAL A 1 379 ? 19.134 5.159 -36.735 1.00 61.17 ? 377 VAL A CG1 1 ATOM 2925 C CG2 . VAL A 1 379 ? 17.072 3.746 -36.848 1.00 50.94 ? 377 VAL A CG2 1 ATOM 2926 N N . ASP A 1 380 ? 21.425 2.677 -36.184 1.00 63.23 ? 378 ASP A N 1 ATOM 2927 C CA . ASP A 1 380 ? 22.833 2.939 -35.923 1.00 70.25 ? 378 ASP A CA 1 ATOM 2928 C C . ASP A 1 380 ? 23.518 1.763 -35.217 1.00 75.11 ? 378 ASP A C 1 ATOM 2929 O O . ASP A 1 380 ? 22.966 1.185 -34.281 1.00 80.64 ? 378 ASP A O 1 ATOM 2930 C CB . ASP A 1 380 ? 22.955 4.209 -35.070 1.00 75.86 ? 378 ASP A CB 1 ATOM 2931 C CG . ASP A 1 380 ? 24.376 4.470 -34.597 1.00 81.90 ? 378 ASP A CG 1 ATOM 2932 O OD1 . ASP A 1 380 ? 25.319 4.104 -35.326 1.00 79.18 ? 378 ASP A OD1 1 ATOM 2933 O OD2 . ASP A 1 380 ? 24.550 5.046 -33.497 1.00 84.35 ? 378 ASP A OD2 1 ATOM 2934 N N . ASP A 1 381 ? 24.723 1.424 -35.669 1.00 74.95 ? 379 ASP A N 1 ATOM 2935 C CA . ASP A 1 381 ? 25.599 0.454 -34.998 1.00 78.02 ? 379 ASP A CA 1 ATOM 2936 C C . ASP A 1 381 ? 27.005 1.077 -34.837 1.00 103.88 ? 379 ASP A C 1 ATOM 2937 O O . ASP A 1 381 ? 27.242 2.154 -35.382 1.00 113.39 ? 379 ASP A O 1 ATOM 2938 C CB . ASP A 1 381 ? 25.649 -0.852 -35.796 1.00 67.92 ? 379 ASP A CB 1 ATOM 2939 C CG . ASP A 1 381 ? 25.238 -0.663 -37.231 1.00 80.51 ? 379 ASP A CG 1 ATOM 2940 O OD1 . ASP A 1 381 ? 24.019 -0.764 -37.476 1.00 86.10 ? 379 ASP A OD1 1 ATOM 2941 O OD2 . ASP A 1 381 ? 26.117 -0.403 -38.101 1.00 76.52 ? 379 ASP A OD2 1 ATOM 2942 N N . GLN A 1 382 ? 27.938 0.462 -34.097 1.00 116.43 ? 380 GLN A N 1 ATOM 2943 C CA . GLN A 1 382 ? 27.749 -0.763 -33.323 1.00 117.81 ? 380 GLN A CA 1 ATOM 2944 C C . GLN A 1 382 ? 26.757 -0.475 -32.227 1.00 113.03 ? 380 GLN A C 1 ATOM 2945 O O . GLN A 1 382 ? 26.018 -1.373 -31.818 1.00 120.68 ? 380 GLN A O 1 ATOM 2946 C CB . GLN A 1 382 ? 29.076 -1.248 -32.730 0.0000 121.95 ? 380 GLN A CB 1 ATOM 2947 C CG . GLN A 1 382 ? 29.048 -2.683 -32.195 0.0000 122.66 ? 380 GLN A CG 1 ATOM 2948 C CD . GLN A 1 382 ? 28.407 -2.800 -30.821 0.0000 121.17 ? 380 GLN A CD 1 ATOM 2949 O OE1 . GLN A 1 382 ? 28.811 -2.123 -29.876 0.0000 123.88 ? 380 GLN A OE1 1 ATOM 2950 N NE2 . GLN A 1 382 ? 27.396 -3.658 -30.709 1.00 115.65 ? 380 GLN A NE2 1 ATOM 2951 N N . ARG A 1 383 ? 26.731 0.798 -31.822 1.00 94.66 ? 381 ARG A N 1 ATOM 2952 C CA . ARG A 1 383 ? 25.847 1.328 -30.788 1.00 74.00 ? 381 ARG A CA 1 ATOM 2953 C C . ARG A 1 383 ? 25.391 0.258 -29.823 1.00 68.40 ? 381 ARG A C 1 ATOM 2954 O O . ARG A 1 383 ? 24.375 -0.402 -30.057 1.00 63.48 ? 381 ARG A O 1 ATOM 2955 C CB . ARG A 1 383 ? 24.644 2.024 -31.391 1.00 61.50 ? 381 ARG A CB 1 ATOM 2956 C CG . ARG A 1 383 ? 23.841 2.734 -30.348 1.00 63.18 ? 381 ARG A CG 1 ATOM 2957 C CD . ARG A 1 383 ? 22.650 3.425 -30.944 1.00 69.54 ? 381 ARG A CD 1 ATOM 2958 N NE . ARG A 1 383 ? 21.798 3.935 -29.884 1.00 71.06 ? 381 ARG A NE 1 ATOM 2959 C CZ . ARG A 1 383 ? 20.863 3.216 -29.281 1.00 69.83 ? 381 ARG A CZ 1 ATOM 2960 N NH1 . ARG A 1 383 ? 20.666 1.961 -29.649 1.00 66.36 ? 381 ARG A NH1 1 ATOM 2961 N NH2 . ARG A 1 383 ? 20.128 3.750 -28.310 1.00 73.80 ? 381 ARG A NH2 1 ATOM 2962 N N . PRO A 1 384 ? 26.158 0.085 -28.741 1.00 67.11 ? 382 PRO A N 1 ATOM 2963 C CA . PRO A 1 384 ? 26.127 -1.065 -27.829 1.00 65.48 ? 382 PRO A CA 1 ATOM 2964 C C . PRO A 1 384 ? 24.738 -1.487 -27.354 1.00 58.94 ? 382 PRO A C 1 ATOM 2965 O O . PRO A 1 384 ? 24.518 -2.677 -27.132 1.00 66.85 ? 382 PRO A O 1 ATOM 2966 C CB . PRO A 1 384 ? 26.997 -0.607 -26.645 1.00 71.52 ? 382 PRO A CB 1 ATOM 2967 C CG . PRO A 1 384 ? 27.270 0.863 -26.867 1.00 67.90 ? 382 PRO A CG 1 ATOM 2968 C CD . PRO A 1 384 ? 27.133 1.108 -28.321 1.00 63.31 ? 382 PRO A CD 1 ATOM 2969 N N . GLU A 1 385 ? 23.813 -0.547 -27.217 1.00 48.69 ? 383 GLU A N 1 ATOM 2970 C CA . GLU A 1 385 ? 22.516 -0.879 -26.630 1.00 46.11 ? 383 GLU A CA 1 ATOM 2971 C C . GLU A 1 385 ? 21.491 -1.467 -27.589 1.00 48.89 ? 383 GLU A C 1 ATOM 2972 O O . GLU A 1 385 ? 20.363 -1.729 -27.186 1.00 55.39 ? 383 GLU A O 1 ATOM 2973 C CB . GLU A 1 385 ? 21.915 0.316 -25.869 1.00 55.27 ? 383 GLU A CB 1 ATOM 2974 C CG . GLU A 1 385 ? 22.078 1.674 -26.527 1.00 64.87 ? 383 GLU A CG 1 ATOM 2975 C CD . GLU A 1 385 ? 23.403 2.343 -26.187 1.00 70.89 ? 383 GLU A CD 1 ATOM 2976 O OE1 . GLU A 1 385 ? 23.507 2.955 -25.101 1.00 67.19 ? 383 GLU A OE1 1 ATOM 2977 O OE2 . GLU A 1 385 ? 24.335 2.258 -27.013 1.00 75.64 ? 383 GLU A OE2 1 ATOM 2978 N N . ASN A 1 386 ? 21.878 -1.688 -28.843 1.00 49.48 ? 384 ASN A N 1 ATOM 2979 C CA . ASN A 1 386 ? 20.949 -2.223 -29.837 1.00 46.47 ? 384 ASN A CA 1 ATOM 2980 C C . ASN A 1 386 ? 20.234 -3.498 -29.400 1.00 51.72 ? 384 ASN A C 1 ATOM 2981 O O . ASN A 1 386 ? 19.007 -3.568 -29.424 1.00 49.22 ? 384 ASN A O 1 ATOM 2982 C CB . ASN A 1 386 ? 21.657 -2.485 -31.160 1.00 45.21 ? 384 ASN A CB 1 ATOM 2983 C CG . ASN A 1 386 ? 21.878 -1.224 -31.953 1.00 54.04 ? 384 ASN A CG 1 ATOM 2984 O OD1 . ASN A 1 386 ? 21.220 -0.214 -31.709 1.00 50.74 ? 384 ASN A OD1 1 ATOM 2985 N ND2 . ASN A 1 386 ? 22.805 -1.273 -32.922 1.00 51.55 ? 384 ASN A ND2 1 ATOM 2986 N N . TYR A 1 387 ? 21.005 -4.499 -28.993 1.00 53.68 ? 385 TYR A N 1 ATOM 2987 C CA . TYR A 1 387 ? 20.435 -5.802 -28.704 1.00 56.52 ? 385 TYR A CA 1 ATOM 2988 C C . TYR A 1 387 ? 19.563 -5.770 -27.456 1.00 57.13 ? 385 TYR A C 1 ATOM 2989 O O . TYR A 1 387 ? 18.508 -6.425 -27.414 1.00 44.19 ? 385 TYR A O 1 ATOM 2990 C CB . TYR A 1 387 ? 21.523 -6.876 -28.611 1.00 53.21 ? 385 TYR A CB 1 ATOM 2991 C CG . TYR A 1 387 ? 21.992 -7.337 -29.968 1.00 53.61 ? 385 TYR A CG 1 ATOM 2992 C CD1 . TYR A 1 387 ? 21.157 -8.086 -30.787 1.00 53.53 ? 385 TYR A CD1 1 ATOM 2993 C CD2 . TYR A 1 387 ? 23.262 -7.016 -30.443 1.00 52.42 ? 385 TYR A CD2 1 ATOM 2994 C CE1 . TYR A 1 387 ? 21.568 -8.508 -32.042 1.00 53.04 ? 385 TYR A CE1 1 ATOM 2995 C CE2 . TYR A 1 387 ? 23.681 -7.431 -31.701 1.00 50.80 ? 385 TYR A CE2 1 ATOM 2996 C CZ . TYR A 1 387 ? 22.826 -8.177 -32.500 1.00 54.29 ? 385 TYR A CZ 1 ATOM 2997 O OH . TYR A 1 387 ? 23.226 -8.609 -33.754 1.00 60.40 ? 385 TYR A OH 1 ATOM 2998 N N . ARG A 1 388 ? 20.009 -4.996 -26.464 1.00 54.70 ? 386 ARG A N 1 ATOM 2999 C CA . ARG A 1 388 ? 19.275 -4.798 -25.219 1.00 48.25 ? 386 ARG A CA 1 ATOM 3000 C C . ARG A 1 388 ? 17.900 -4.227 -25.522 1.00 49.54 ? 386 ARG A C 1 ATOM 3001 O O . ARG A 1 388 ? 16.878 -4.754 -25.068 1.00 53.85 ? 386 ARG A O 1 ATOM 3002 C CB . ARG A 1 388 ? 20.035 -3.842 -24.296 1.00 44.15 ? 386 ARG A CB 1 ATOM 3003 C CG . ARG A 1 388 ? 19.367 -3.574 -22.940 1.00 33.26 ? 386 ARG A CG 1 ATOM 3004 C CD . ARG A 1 388 ? 20.010 -2.376 -22.248 1.00 31.69 ? 386 ARG A CD 1 ATOM 3005 N NE . ARG A 1 388 ? 19.563 -1.111 -22.830 1.00 37.12 ? 386 ARG A NE 1 ATOM 3006 C CZ . ARG A 1 388 ? 20.176 0.055 -22.659 1.00 46.15 ? 386 ARG A CZ 1 ATOM 3007 N NH1 . ARG A 1 388 ? 21.280 0.114 -21.932 1.00 46.94 ? 386 ARG A NH1 1 ATOM 3008 N NH2 . ARG A 1 388 ? 19.695 1.163 -23.222 1.00 45.84 ? 386 ARG A NH2 1 ATOM 3009 N N . GLU A 1 389 ? 17.883 -3.155 -26.306 1.00 50.01 ? 387 GLU A N 1 ATOM 3010 C CA . GLU A 1 389 ? 16.636 -2.515 -26.703 1.00 45.40 ? 387 GLU A CA 1 ATOM 3011 C C . GLU A 1 389 ? 15.786 -3.430 -27.584 1.00 45.72 ? 387 GLU A C 1 ATOM 3012 O O . GLU A 1 389 ? 14.562 -3.456 -27.456 1.00 52.44 ? 387 GLU A O 1 ATOM 3013 C CB . GLU A 1 389 ? 16.919 -1.188 -27.409 1.00 37.07 ? 387 GLU A CB 1 ATOM 3014 C CG . GLU A 1 389 ? 17.636 -0.177 -26.537 1.00 53.13 ? 387 GLU A CG 1 ATOM 3015 C CD . GLU A 1 389 ? 17.943 1.110 -27.266 1.00 65.44 ? 387 GLU A CD 1 ATOM 3016 O OE1 . GLU A 1 389 ? 18.200 1.058 -28.484 1.00 71.98 ? 387 GLU A OE1 1 ATOM 3017 O OE2 . GLU A 1 389 ? 17.929 2.174 -26.618 1.00 75.64 ? 387 GLU A OE2 1 ATOM 3018 N N . ALA A 1 390 ? 16.437 -4.180 -28.471 1.00 38.06 ? 388 ALA A N 1 ATOM 3019 C CA . ALA A 1 390 ? 15.722 -5.090 -29.358 1.00 41.92 ? 388 ALA A CA 1 ATOM 3020 C C . ALA A 1 390 ? 14.928 -6.156 -28.607 1.00 41.71 ? 388 ALA A C 1 ATOM 3021 O O . ALA A 1 390 ? 13.783 -6.438 -28.957 1.00 41.08 ? 388 ALA A O 1 ATOM 3022 C CB . ALA A 1 390 ? 16.677 -5.745 -30.350 1.00 42.93 ? 388 ALA A CB 1 ATOM 3023 N N . LEU A 1 391 ? 15.540 -6.759 -27.591 1.00 41.45 ? 389 LEU A N 1 ATOM 3024 C CA . LEU A 1 391 ? 14.876 -7.836 -26.856 1.00 37.71 ? 389 LEU A CA 1 ATOM 3025 C C . LEU A 1 391 ? 13.697 -7.313 -26.036 1.00 34.26 ? 389 LEU A C 1 ATOM 3026 O O . LEU A 1 391 ? 12.676 -7.979 -25.909 1.00 42.94 ? 389 LEU A O 1 ATOM 3027 C CB . LEU A 1 391 ? 15.860 -8.608 -25.978 1.00 36.33 ? 389 LEU A CB 1 ATOM 3028 C CG . LEU A 1 391 ? 15.296 -9.846 -25.274 1.00 49.83 ? 389 LEU A CG 1 ATOM 3029 C CD1 . LEU A 1 391 ? 14.760 -10.834 -26.291 1.00 50.05 ? 389 LEU A CD1 1 ATOM 3030 C CD2 . LEU A 1 391 ? 16.350 -10.515 -24.390 1.00 49.16 ? 389 LEU A CD2 1 ATOM 3031 N N . GLY A 1 392 ? 13.836 -6.111 -25.494 1.00 35.49 ? 390 GLY A N 1 ATOM 3032 C CA . GLY A 1 392 ? 12.757 -5.494 -24.752 1.00 28.41 ? 390 GLY A CA 1 ATOM 3033 C C . GLY A 1 392 ? 11.581 -5.218 -25.666 1.00 38.47 ? 390 GLY A C 1 ATOM 3034 O O . GLY A 1 392 ? 10.426 -5.438 -25.298 1.00 45.70 ? 390 GLY A O 1 ATOM 3035 N N . ASP A 1 393 ? 11.877 -4.745 -26.872 1.00 39.11 ? 391 ASP A N 1 ATOM 3036 C CA . ASP A 1 393 ? 10.833 -4.459 -27.849 1.00 32.14 ? 391 ASP A CA 1 ATOM 3037 C C . ASP A 1 393 ? 10.127 -5.725 -28.327 1.00 33.29 ? 391 ASP A C 1 ATOM 3038 O O . ASP A 1 393 ? 8.919 -5.716 -28.544 1.00 38.44 ? 391 ASP A O 1 ATOM 3039 C CB . ASP A 1 393 ? 11.393 -3.672 -29.035 1.00 34.73 ? 391 ASP A CB 1 ATOM 3040 C CG . ASP A 1 393 ? 11.567 -2.184 -28.724 1.00 48.43 ? 391 ASP A CG 1 ATOM 3041 O OD1 . ASP A 1 393 ? 10.815 -1.635 -27.876 1.00 42.35 ? 391 ASP A OD1 1 ATOM 3042 O OD2 . ASP A 1 393 ? 12.463 -1.560 -29.334 1.00 56.71 ? 391 ASP A OD2 1 ATOM 3043 N N . VAL A 1 394 ? 10.885 -6.810 -28.490 1.00 30.96 ? 392 VAL A N 1 ATOM 3044 C CA . VAL A 1 394 ? 10.314 -8.087 -28.890 1.00 30.54 ? 392 VAL A CA 1 ATOM 3045 C C . VAL A 1 394 ? 9.300 -8.548 -27.848 1.00 29.43 ? 392 VAL A C 1 ATOM 3046 O O . VAL A 1 394 ? 8.169 -8.892 -28.175 1.00 30.76 ? 392 VAL A O 1 ATOM 3047 C CB . VAL A 1 394 ? 11.408 -9.174 -29.043 1.00 39.45 ? 392 VAL A CB 1 ATOM 3048 C CG1 . VAL A 1 394 ? 10.817 -10.591 -28.913 1.00 24.64 ? 392 VAL A CG1 1 ATOM 3049 C CG2 . VAL A 1 394 ? 12.159 -8.996 -30.352 1.00 34.98 ? 392 VAL A CG2 1 ATOM 3050 N N . VAL A 1 395 ? 9.719 -8.546 -26.590 1.00 28.07 ? 393 VAL A N 1 ATOM 3051 C CA . VAL A 1 395 ? 8.874 -9.023 -25.503 1.00 32.22 ? 393 VAL A CA 1 ATOM 3052 C C . VAL A 1 395 ? 7.621 -8.150 -25.363 1.00 38.74 ? 393 VAL A C 1 ATOM 3053 O O . VAL A 1 395 ? 6.504 -8.670 -25.311 1.00 38.59 ? 393 VAL A O 1 ATOM 3054 C CB . VAL A 1 395 ? 9.680 -9.099 -24.187 1.00 28.87 ? 393 VAL A CB 1 ATOM 3055 C CG1 . VAL A 1 395 ? 8.768 -9.270 -22.975 1.00 26.96 ? 393 VAL A CG1 1 ATOM 3056 C CG2 . VAL A 1 395 ? 10.712 -10.222 -24.272 1.00 33.36 ? 393 VAL A CG2 1 ATOM 3057 N N . GLY A 1 396 ? 7.817 -6.829 -25.333 1.00 38.47 ? 394 GLY A N 1 ATOM 3058 C CA . GLY A 1 396 ? 6.725 -5.870 -25.261 1.00 32.72 ? 394 GLY A CA 1 ATOM 3059 C C . GLY A 1 396 ? 5.724 -5.903 -26.410 1.00 35.77 ? 394 GLY A C 1 ATOM 3060 O O . GLY A 1 396 ? 4.504 -5.936 -26.183 1.00 41.30 ? 394 GLY A O 1 ATOM 3061 N N . ASP A 1 397 ? 6.232 -5.901 -27.640 1.00 29.92 ? 395 ASP A N 1 ATOM 3062 C CA . ASP A 1 397 ? 5.384 -5.914 -28.829 1.00 31.91 ? 395 ASP A CA 1 ATOM 3063 C C . ASP A 1 397 ? 4.542 -7.167 -28.933 1.00 35.55 ? 395 ASP A C 1 ATOM 3064 O O . ASP A 1 397 ? 3.365 -7.113 -29.302 1.00 36.85 ? 395 ASP A O 1 ATOM 3065 C CB . ASP A 1 397 ? 6.227 -5.813 -30.095 1.00 33.88 ? 395 ASP A CB 1 ATOM 3066 C CG . ASP A 1 397 ? 6.802 -4.441 -30.295 1.00 35.88 ? 395 ASP A CG 1 ATOM 3067 O OD1 . ASP A 1 397 ? 6.450 -3.524 -29.529 1.00 37.21 ? 395 ASP A OD1 1 ATOM 3068 O OD2 . ASP A 1 397 ? 7.606 -4.276 -31.223 1.00 39.69 ? 395 ASP A OD2 1 ATOM 3069 N N . TYR A 1 398 ? 5.163 -8.297 -28.629 1.00 33.46 ? 396 TYR A N 1 ATOM 3070 C CA . TYR A 1 398 ? 4.510 -9.589 -28.785 1.00 35.61 ? 396 TYR A CA 1 ATOM 3071 C C . TYR A 1 398 ? 3.458 -9.844 -27.713 1.00 32.60 ? 396 TYR A C 1 ATOM 3072 O O . TYR A 1 398 ? 2.386 -10.361 -28.016 1.00 36.48 ? 396 TYR A O 1 ATOM 3073 C CB . TYR A 1 398 ? 5.548 -10.720 -28.828 1.00 38.47 ? 396 TYR A CB 1 ATOM 3074 C CG . TYR A 1 398 ? 4.987 -12.120 -28.669 1.00 35.21 ? 396 TYR A CG 1 ATOM 3075 C CD1 . TYR A 1 398 ? 4.084 -12.653 -29.592 1.00 29.96 ? 396 TYR A CD1 1 ATOM 3076 C CD2 . TYR A 1 398 ? 5.371 -12.916 -27.593 1.00 39.49 ? 396 TYR A CD2 1 ATOM 3077 C CE1 . TYR A 1 398 ? 3.575 -13.952 -29.439 1.00 34.22 ? 396 TYR A CE1 1 ATOM 3078 C CE2 . TYR A 1 398 ? 4.875 -14.213 -27.433 1.00 35.18 ? 396 TYR A CE2 1 ATOM 3079 C CZ . TYR A 1 398 ? 3.987 -14.726 -28.354 1.00 42.27 ? 396 TYR A CZ 1 ATOM 3080 O OH . TYR A 1 398 ? 3.510 -16.011 -28.171 1.00 56.36 ? 396 TYR A OH 1 ATOM 3081 N N . ASN A 1 399 ? 3.748 -9.460 -26.473 1.00 26.49 ? 397 ASN A N 1 ATOM 3082 C CA . ASN A 1 399 ? 2.836 -9.735 -25.359 1.00 29.40 ? 397 ASN A CA 1 ATOM 3083 C C . ASN A 1 399 ? 1.786 -8.646 -25.064 1.00 33.16 ? 397 ASN A C 1 ATOM 3084 O O . ASN A 1 399 ? 0.717 -8.939 -24.526 1.00 33.53 ? 397 ASN A O 1 ATOM 3085 C CB . ASN A 1 399 ? 3.634 -10.032 -24.083 1.00 30.43 ? 397 ASN A CB 1 ATOM 3086 C CG . ASN A 1 399 ? 4.362 -11.365 -24.141 1.00 30.61 ? 397 ASN A CG 1 ATOM 3087 O OD1 . ASN A 1 399 ? 3.779 -12.407 -23.884 1.00 39.20 ? 397 ASN A OD1 1 ATOM 3088 N ND2 . ASN A 1 399 ? 5.641 -11.329 -24.462 1.00 29.75 ? 397 ASN A ND2 1 ATOM 3089 N N . PHE A 1 400 ? 2.090 -7.397 -25.409 1.00 27.62 ? 398 PHE A N 1 ATOM 3090 C CA . PHE A 1 400 ? 1.235 -6.295 -24.994 1.00 25.27 ? 398 PHE A CA 1 ATOM 3091 C C . PHE A 1 400 ? 0.794 -5.402 -26.152 1.00 29.00 ? 398 PHE A C 1 ATOM 3092 O O . PHE A 1 400 ? -0.394 -5.308 -26.451 1.00 34.75 ? 398 PHE A O 1 ATOM 3093 C CB . PHE A 1 400 ? 1.887 -5.494 -23.842 1.00 25.50 ? 398 PHE A CB 1 ATOM 3094 C CG . PHE A 1 400 ? 2.163 -6.329 -22.606 1.00 31.78 ? 398 PHE A CG 1 ATOM 3095 C CD1 . PHE A 1 400 ? 1.151 -6.606 -21.691 1.00 31.73 ? 398 PHE A CD1 1 ATOM 3096 C CD2 . PHE A 1 400 ? 3.430 -6.852 -22.364 1.00 35.28 ? 398 PHE A CD2 1 ATOM 3097 C CE1 . PHE A 1 400 ? 1.399 -7.391 -20.558 1.00 31.46 ? 398 PHE A CE1 1 ATOM 3098 C CE2 . PHE A 1 400 ? 3.689 -7.645 -21.229 1.00 30.35 ? 398 PHE A CE2 1 ATOM 3099 C CZ . PHE A 1 400 ? 2.677 -7.915 -20.329 1.00 27.40 ? 398 PHE A CZ 1 ATOM 3100 N N . ILE A 1 401 ? 1.741 -4.767 -26.826 1.00 28.33 ? 399 ILE A N 1 ATOM 3101 C CA . ILE A 1 401 ? 1.381 -3.732 -27.788 1.00 29.89 ? 399 ILE A CA 1 ATOM 3102 C C . ILE A 1 401 ? 0.639 -4.256 -29.019 1.00 33.14 ? 399 ILE A C 1 ATOM 3103 O O . ILE A 1 401 ? -0.433 -3.767 -29.365 1.00 41.57 ? 399 ILE A O 1 ATOM 3104 C CB . ILE A 1 401 ? 2.608 -2.940 -28.220 1.00 36.24 ? 399 ILE A CB 1 ATOM 3105 C CG1 . ILE A 1 401 ? 3.337 -2.414 -26.984 1.00 34.20 ? 399 ILE A CG1 1 ATOM 3106 C CG2 . ILE A 1 401 ? 2.207 -1.811 -29.135 1.00 28.02 ? 399 ILE A CG2 1 ATOM 3107 C CD1 . ILE A 1 401 ? 4.454 -1.452 -27.311 1.00 41.85 ? 399 ILE A CD1 1 ATOM 3108 N N . CYS A 1 402 ? 1.193 -5.258 -29.681 1.00 32.17 ? 400 CYS A N 1 ATOM 3109 C CA . CYS A 1 402 ? 0.523 -5.787 -30.863 1.00 33.34 ? 400 CYS A CA 1 ATOM 3110 C C . CYS A 1 402 ? -0.863 -6.428 -30.615 1.00 35.53 ? 400 CYS A C 1 ATOM 3111 O O . CYS A 1 402 ? -1.794 -6.173 -31.375 1.00 37.29 ? 400 CYS A O 1 ATOM 3112 C CB . CYS A 1 402 ? 1.467 -6.678 -31.666 1.00 30.39 ? 400 CYS A CB 1 ATOM 3113 S SG . CYS A 1 402 ? 2.929 -5.744 -32.198 1.00 43.41 ? 400 CYS A SG 1 ATOM 3114 N N . PRO A 1 403 ? -1.017 -7.243 -29.552 1.00 31.79 ? 401 PRO A N 1 ATOM 3115 C CA . PRO A 1 403 ? -2.396 -7.681 -29.255 1.00 33.87 ? 401 PRO A CA 1 ATOM 3116 C C . PRO A 1 403 ? -3.381 -6.539 -28.892 1.00 37.46 ? 401 PRO A C 1 ATOM 3117 O O . PRO A 1 403 ? -4.518 -6.540 -29.378 1.00 36.21 ? 401 PRO A O 1 ATOM 3118 C CB . PRO A 1 403 ? -2.230 -8.663 -28.084 1.00 33.39 ? 401 PRO A CB 1 ATOM 3119 C CG . PRO A 1 403 ? -0.815 -8.529 -27.629 1.00 31.98 ? 401 PRO A CG 1 ATOM 3120 C CD . PRO A 1 403 ? -0.010 -7.946 -28.736 1.00 25.81 ? 401 PRO A CD 1 ATOM 3121 N N . ALA A 1 404 ? -2.957 -5.583 -28.070 1.00 27.48 ? 402 ALA A N 1 ATOM 3122 C CA . ALA A 1 404 ? -3.797 -4.421 -27.758 1.00 23.26 ? 402 ALA A CA 1 ATOM 3123 C C . ALA A 1 404 ? -4.263 -3.686 -29.025 1.00 28.34 ? 402 ALA A C 1 ATOM 3124 O O . ALA A 1 404 ? -5.440 -3.311 -29.146 1.00 29.58 ? 402 ALA A O 1 ATOM 3125 C CB . ALA A 1 404 ? -3.085 -3.483 -26.813 1.00 20.82 ? 402 ALA A CB 1 ATOM 3126 N N . LEU A 1 405 ? -3.363 -3.537 -29.993 1.00 29.53 ? 403 LEU A N 1 ATOM 3127 C CA . LEU A 1 405 ? -3.716 -2.877 -31.257 1.00 29.70 ? 403 LEU A CA 1 ATOM 3128 C C . LEU A 1 405 ? -4.660 -3.718 -32.073 1.00 31.45 ? 403 LEU A C 1 ATOM 3129 O O . LEU A 1 405 ? -5.608 -3.205 -32.671 1.00 38.08 ? 403 LEU A O 1 ATOM 3130 C CB . LEU A 1 405 ? -2.476 -2.586 -32.095 1.00 24.94 ? 403 LEU A CB 1 ATOM 3131 C CG . LEU A 1 405 ? -1.607 -1.466 -31.556 1.00 27.37 ? 403 LEU A CG 1 ATOM 3132 C CD1 . LEU A 1 405 ? -0.238 -1.563 -32.181 1.00 27.73 ? 403 LEU A CD1 1 ATOM 3133 C CD2 . LEU A 1 405 ? -2.262 -0.110 -31.821 1.00 25.97 ? 403 LEU A CD2 1 ATOM 3134 N N . GLU A 1 406 ? -4.394 -5.017 -32.097 1.00 35.33 ? 404 GLU A N 1 ATOM 3135 C CA . GLU A 1 406 ? -5.205 -5.945 -32.887 1.00 36.93 ? 404 GLU A CA 1 ATOM 3136 C C . GLU A 1 406 ? -6.616 -6.057 -32.326 1.00 29.91 ? 404 GLU A C 1 ATOM 3137 O O . GLU A 1 406 ? -7.591 -6.081 -33.075 1.00 32.42 ? 404 GLU A O 1 ATOM 3138 C CB . GLU A 1 406 ? -4.530 -7.321 -32.984 1.00 36.09 ? 404 GLU A CB 1 ATOM 3139 C CG . GLU A 1 406 ? -5.262 -8.319 -33.864 1.00 42.71 ? 404 GLU A CG 1 ATOM 3140 C CD . GLU A 1 406 ? -5.232 -7.961 -35.345 1.00 58.35 ? 404 GLU A CD 1 ATOM 3141 O OE1 . GLU A 1 406 ? -4.603 -6.943 -35.730 1.00 61.76 ? 404 GLU A OE1 1 ATOM 3142 O OE2 . GLU A 1 406 ? -5.841 -8.716 -36.131 1.00 60.93 ? 404 GLU A OE2 1 ATOM 3143 N N . PHE A 1 407 ? -6.707 -6.091 -31.000 1.00 26.85 ? 405 PHE A N 1 ATOM 3144 C CA . PHE A 1 407 ? -7.985 -6.085 -30.302 1.00 31.62 ? 405 PHE A CA 1 ATOM 3145 C C . PHE A 1 407 ? -8.826 -4.829 -30.617 1.00 35.38 ? 405 PHE A C 1 ATOM 3146 O O . PHE A 1 407 ? -10.004 -4.950 -30.953 1.00 35.12 ? 405 PHE A O 1 ATOM 3147 C CB . PHE A 1 407 ? -7.763 -6.264 -28.777 1.00 34.31 ? 405 PHE A CB 1 ATOM 3148 C CG . PHE A 1 407 ? -8.977 -5.952 -27.941 1.00 31.36 ? 405 PHE A CG 1 ATOM 3149 C CD1 . PHE A 1 407 ? -9.921 -6.937 -27.666 1.00 35.38 ? 405 PHE A CD1 1 ATOM 3150 C CD2 . PHE A 1 407 ? -9.191 -4.666 -27.453 1.00 24.57 ? 405 PHE A CD2 1 ATOM 3151 C CE1 . PHE A 1 407 ? -11.065 -6.651 -26.911 1.00 33.90 ? 405 PHE A CE1 1 ATOM 3152 C CE2 . PHE A 1 407 ? -10.333 -4.368 -26.694 1.00 31.25 ? 405 PHE A CE2 1 ATOM 3153 C CZ . PHE A 1 407 ? -11.272 -5.366 -26.429 1.00 35.48 ? 405 PHE A CZ 1 ATOM 3154 N N . THR A 1 408 ? -8.223 -3.640 -30.505 1.00 32.48 ? 406 THR A N 1 ATOM 3155 C CA . THR A 1 408 ? -8.923 -2.367 -30.768 1.00 31.92 ? 406 THR A CA 1 ATOM 3156 C C . THR A 1 408 ? -9.465 -2.280 -32.201 1.00 34.72 ? 406 THR A C 1 ATOM 3157 O O . THR A 1 408 ? -10.633 -1.941 -32.443 1.00 35.85 ? 406 THR A O 1 ATOM 3158 C CB . THR A 1 408 ? -7.999 -1.148 -30.513 1.00 30.31 ? 406 THR A CB 1 ATOM 3159 O OG1 . THR A 1 408 ? -7.376 -1.271 -29.228 1.00 25.98 ? 406 THR A OG1 1 ATOM 3160 C CG2 . THR A 1 408 ? -8.787 0.161 -30.571 1.00 27.52 ? 406 THR A CG2 1 ATOM 3161 N N . LYS A 1 409 ? -8.588 -2.584 -33.143 1.00 32.12 ? 407 LYS A N 1 ATOM 3162 C CA . LYS A 1 409 ? -8.941 -2.682 -34.545 1.00 36.69 ? 407 LYS A CA 1 ATOM 3163 C C . LYS A 1 409 ? -10.178 -3.563 -34.758 1.00 40.62 ? 407 LYS A C 1 ATOM 3164 O O . LYS A 1 409 ? -11.139 -3.146 -35.403 1.00 40.91 ? 407 LYS A O 1 ATOM 3165 C CB . LYS A 1 409 ? -7.744 -3.249 -35.298 1.00 37.22 ? 407 LYS A CB 1 ATOM 3166 C CG . LYS A 1 409 ? -7.731 -3.002 -36.769 1.00 49.73 ? 407 LYS A CG 1 ATOM 3167 C CD . LYS A 1 409 ? -6.426 -3.523 -37.364 1.00 63.81 ? 407 LYS A CD 1 ATOM 3168 C CE . LYS A 1 409 ? -5.211 -3.056 -36.551 1.00 66.97 ? 407 LYS A CE 1 ATOM 3169 N NZ . LYS A 1 409 ? -3.921 -3.548 -37.146 1.00 72.03 ? 407 LYS A NZ 1 ATOM 3170 N N . LYS A 1 410 ? -10.168 -4.767 -34.187 1.00 41.44 ? 408 LYS A N 1 ATOM 3171 C CA . LYS A 1 410 ? -11.233 -5.737 -34.442 1.00 36.74 ? 408 LYS A CA 1 ATOM 3172 C C . LYS A 1 410 ? -12.515 -5.367 -33.718 1.00 38.97 ? 408 LYS A C 1 ATOM 3173 O O . LYS A 1 410 ? -13.626 -5.618 -34.197 1.00 36.29 ? 408 LYS A O 1 ATOM 3174 C CB . LYS A 1 410 ? -10.788 -7.141 -34.046 1.00 40.47 ? 408 LYS A CB 1 ATOM 3175 C CG . LYS A 1 410 ? -9.860 -7.797 -35.050 1.00 48.68 ? 408 LYS A CG 1 ATOM 3176 C CD . LYS A 1 410 ? -9.299 -9.097 -34.506 1.00 57.01 ? 408 LYS A CD 1 ATOM 3177 C CE . LYS A 1 410 ? -8.768 -9.967 -35.625 1.00 72.52 ? 408 LYS A CE 1 ATOM 3178 N NZ . LYS A 1 410 ? -9.831 -10.323 -36.626 1.00 83.28 ? 408 LYS A NZ 1 ATOM 3179 N N . PHE A 1 411 ? -12.351 -4.765 -32.553 1.00 38.27 ? 409 PHE A N 1 ATOM 3180 C CA . PHE A 1 411 ? -13.488 -4.323 -31.780 1.00 38.47 ? 409 PHE A CA 1 ATOM 3181 C C . PHE A 1 411 ? -14.170 -3.144 -32.500 1.00 46.15 ? 409 PHE A C 1 ATOM 3182 O O . PHE A 1 411 ? -15.403 -3.087 -32.608 1.00 46.25 ? 409 PHE A O 1 ATOM 3183 C CB . PHE A 1 411 ? -13.026 -3.937 -30.374 1.00 37.61 ? 409 PHE A CB 1 ATOM 3184 C CG . PHE A 1 411 ? -14.146 -3.621 -29.438 1.00 35.92 ? 409 PHE A CG 1 ATOM 3185 C CD1 . PHE A 1 411 ? -14.777 -2.376 -29.476 1.00 31.93 ? 409 PHE A CD1 1 ATOM 3186 C CD2 . PHE A 1 411 ? -14.578 -4.559 -28.519 1.00 36.19 ? 409 PHE A CD2 1 ATOM 3187 C CE1 . PHE A 1 411 ? -15.825 -2.078 -28.617 1.00 31.70 ? 409 PHE A CE1 1 ATOM 3188 C CE2 . PHE A 1 411 ? -15.631 -4.263 -27.645 1.00 44.49 ? 409 PHE A CE2 1 ATOM 3189 C CZ . PHE A 1 411 ? -16.257 -3.019 -27.699 1.00 33.42 ? 409 PHE A CZ 1 ATOM 3190 N N . SER A 1 412 ? -13.373 -2.213 -33.012 1.00 39.90 ? 410 SER A N 1 ATOM 3191 C CA . SER A 1 412 ? -13.951 -1.050 -33.690 1.00 39.00 ? 410 SER A CA 1 ATOM 3192 C C . SER A 1 412 ? -14.631 -1.358 -35.027 1.00 34.53 ? 410 SER A C 1 ATOM 3193 O O . SER A 1 412 ? -15.442 -0.566 -35.506 1.00 42.54 ? 410 SER A O 1 ATOM 3194 C CB . SER A 1 412 ? -12.923 0.060 -33.863 1.00 31.45 ? 410 SER A CB 1 ATOM 3195 O OG . SER A 1 412 ? -11.857 -0.358 -34.684 1.00 36.86 ? 410 SER A OG 1 ATOM 3196 N N . GLU A 1 413 ? -14.325 -2.499 -35.633 1.00 31.66 ? 411 GLU A N 1 ATOM 3197 C CA . GLU A 1 413 ? -14.973 -2.844 -36.906 1.00 39.73 ? 411 GLU A CA 1 ATOM 3198 C C . GLU A 1 413 ? -16.468 -3.099 -36.743 1.00 38.11 ? 411 GLU A C 1 ATOM 3199 O O . GLU A 1 413 ? -17.210 -3.106 -37.716 1.00 46.58 ? 411 GLU A O 1 ATOM 3200 C CB . GLU A 1 413 ? -14.289 -4.034 -37.588 1.00 48.33 ? 411 GLU A CB 1 ATOM 3201 C CG . GLU A 1 413 ? -12.923 -3.688 -38.181 1.00 61.36 ? 411 GLU A CG 1 ATOM 3202 C CD . GLU A 1 413 ? -12.063 -4.915 -38.405 1.00 79.10 ? 411 GLU A CD 1 ATOM 3203 O OE1 . GLU A 1 413 ? -12.605 -6.039 -38.332 1.00 88.86 ? 411 GLU A OE1 1 ATOM 3204 O OE2 . GLU A 1 413 ? -10.847 -4.763 -38.641 1.00 81.58 ? 411 GLU A OE2 1 ATOM 3205 N N . TRP A 1 414 ? -16.905 -3.300 -35.508 1.00 35.18 ? 412 TRP A N 1 ATOM 3206 C CA . TRP A 1 414 ? -18.316 -3.534 -35.234 1.00 36.34 ? 412 TRP A CA 1 ATOM 3207 C C . TRP A 1 414 ? -19.135 -2.279 -34.864 1.00 38.91 ? 412 TRP A C 1 ATOM 3208 O O . TRP A 1 414 ? -20.322 -2.378 -34.538 1.00 39.35 ? 412 TRP A O 1 ATOM 3209 C CB . TRP A 1 414 ? -18.469 -4.670 -34.212 1.00 38.75 ? 412 TRP A CB 1 ATOM 3210 C CG . TRP A 1 414 ? -18.106 -5.998 -34.834 1.00 35.11 ? 412 TRP A CG 1 ATOM 3211 C CD1 . TRP A 1 414 ? -16.858 -6.565 -34.886 1.00 32.09 ? 412 TRP A CD1 1 ATOM 3212 C CD2 . TRP A 1 414 ? -18.987 -6.899 -35.520 1.00 30.19 ? 412 TRP A CD2 1 ATOM 3213 N NE1 . TRP A 1 414 ? -16.920 -7.764 -35.560 1.00 37.23 ? 412 TRP A NE1 1 ATOM 3214 C CE2 . TRP A 1 414 ? -18.213 -7.997 -35.953 1.00 36.62 ? 412 TRP A CE2 1 ATOM 3215 C CE3 . TRP A 1 414 ? -20.352 -6.891 -35.803 1.00 36.11 ? 412 TRP A CE3 1 ATOM 3216 C CZ2 . TRP A 1 414 ? -18.763 -9.085 -36.676 1.00 40.14 ? 412 TRP A CZ2 1 ATOM 3217 C CZ3 . TRP A 1 414 ? -20.907 -7.980 -36.530 1.00 42.93 ? 412 TRP A CZ3 1 ATOM 3218 C CH2 . TRP A 1 414 ? -20.103 -9.055 -36.951 1.00 34.77 ? 412 TRP A CH2 1 ATOM 3219 N N . GLY A 1 415 ? -18.499 -1.107 -34.934 1.00 41.39 ? 413 GLY A N 1 ATOM 3220 C CA . GLY A 1 415 ? -19.209 0.165 -34.927 1.00 34.42 ? 413 GLY A CA 1 ATOM 3221 C C . GLY A 1 415 ? -19.182 1.059 -33.697 1.00 38.72 ? 413 GLY A C 1 ATOM 3222 O O . GLY A 1 415 ? -19.812 2.109 -33.701 1.00 49.48 ? 413 GLY A O 1 ATOM 3223 N N . ASN A 1 416 ? -18.472 0.666 -32.648 1.00 33.43 ? 414 ASN A N 1 ATOM 3224 C CA . ASN A 1 416 ? -18.371 1.498 -31.456 1.00 40.08 ? 414 ASN A CA 1 ATOM 3225 C C . ASN A 1 416 ? -17.099 2.312 -31.436 1.00 41.14 ? 414 ASN A C 1 ATOM 3226 O O . ASN A 1 416 ? -16.082 1.915 -32.013 1.00 41.07 ? 414 ASN A O 1 ATOM 3227 C CB . ASN A 1 416 ? -18.423 0.664 -30.181 1.00 47.76 ? 414 ASN A CB 1 ATOM 3228 C CG . ASN A 1 416 ? -19.777 0.040 -29.950 1.00 52.01 ? 414 ASN A CG 1 ATOM 3229 O OD1 . ASN A 1 416 ? -19.917 -1.176 -30.041 1.00 54.67 ? 414 ASN A OD1 1 ATOM 3230 N ND2 . ASN A 1 416 ? -20.781 0.864 -29.631 1.00 43.96 ? 414 ASN A ND2 1 ATOM 3231 N N . ASN A 1 417 ? -17.161 3.444 -30.749 1.00 36.21 ? 415 ASN A N 1 ATOM 3232 C CA . ASN A 1 417 ? -16.017 4.330 -30.664 1.00 34.83 ? 415 ASN A CA 1 ATOM 3233 C C . ASN A 1 417 ? -14.908 3.721 -29.806 1.00 31.58 ? 415 ASN A C 1 ATOM 3234 O O . ASN A 1 417 ? -15.134 3.305 -28.677 1.00 36.36 ? 415 ASN A O 1 ATOM 3235 C CB . ASN A 1 417 ? -16.428 5.713 -30.132 1.00 27.69 ? 415 ASN A CB 1 ATOM 3236 C CG . ASN A 1 417 ? -17.181 6.554 -31.169 1.00 33.41 ? 415 ASN A CG 1 ATOM 3237 O OD1 . ASN A 1 417 ? -17.255 6.209 -32.352 1.00 34.38 ? 415 ASN A OD1 1 ATOM 3238 N ND2 . ASN A 1 417 ? -17.742 7.663 -30.720 1.00 35.80 ? 415 ASN A ND2 1 ATOM 3239 N N . ALA A 1 418 ? -13.710 3.661 -30.359 1.00 27.18 ? 416 ALA A N 1 ATOM 3240 C CA . ALA A 1 418 ? -12.547 3.171 -29.631 1.00 25.83 ? 416 ALA A CA 1 ATOM 3241 C C . ALA A 1 418 ? -11.477 4.253 -29.624 1.00 24.70 ? 416 ALA A C 1 ATOM 3242 O O . ALA A 1 418 ? -11.288 4.936 -30.622 1.00 32.11 ? 416 ALA A O 1 ATOM 3243 C CB . ALA A 1 418 ? -12.012 1.906 -30.279 1.00 24.67 ? 416 ALA A CB 1 ATOM 3244 N N . PHE A 1 419 ? -10.788 4.413 -28.499 1.00 23.65 ? 417 PHE A N 1 ATOM 3245 C CA . PHE A 1 419 ? -9.758 5.427 -28.373 1.00 25.69 ? 417 PHE A CA 1 ATOM 3246 C C . PHE A 1 419 ? -8.458 4.780 -27.908 1.00 31.82 ? 417 PHE A C 1 ATOM 3247 O O . PHE A 1 419 ? -8.443 4.060 -26.910 1.00 32.62 ? 417 PHE A O 1 ATOM 3248 C CB . PHE A 1 419 ? -10.198 6.512 -27.383 1.00 26.97 ? 417 PHE A CB 1 ATOM 3249 C CG . PHE A 1 419 ? -11.432 7.243 -27.798 1.00 27.62 ? 417 PHE A CG 1 ATOM 3250 C CD1 . PHE A 1 419 ? -12.684 6.756 -27.457 1.00 26.64 ? 417 PHE A CD1 1 ATOM 3251 C CD2 . PHE A 1 419 ? -11.342 8.419 -28.536 1.00 26.22 ? 417 PHE A CD2 1 ATOM 3252 C CE1 . PHE A 1 419 ? -13.826 7.424 -27.845 1.00 27.91 ? 417 PHE A CE1 1 ATOM 3253 C CE2 . PHE A 1 419 ? -12.487 9.111 -28.930 1.00 27.64 ? 417 PHE A CE2 1 ATOM 3254 C CZ . PHE A 1 419 ? -13.725 8.622 -28.585 1.00 33.08 ? 417 PHE A CZ 1 ATOM 3255 N N . PHE A 1 420 ? -7.365 5.054 -28.612 1.00 30.49 ? 418 PHE A N 1 ATOM 3256 C CA . PHE A 1 420 ? -6.103 4.412 -28.296 1.00 29.42 ? 418 PHE A CA 1 ATOM 3257 C C . PHE A 1 420 ? -5.052 5.396 -27.852 1.00 28.34 ? 418 PHE A C 1 ATOM 3258 O O . PHE A 1 420 ? -4.866 6.411 -28.493 1.00 31.16 ? 418 PHE A O 1 ATOM 3259 C CB . PHE A 1 420 ? -5.578 3.596 -29.482 1.00 27.91 ? 418 PHE A CB 1 ATOM 3260 C CG . PHE A 1 420 ? -4.607 2.522 -29.086 1.00 24.31 ? 418 PHE A CG 1 ATOM 3261 C CD1 . PHE A 1 420 ? -3.262 2.814 -28.901 1.00 25.54 ? 418 PHE A CD1 1 ATOM 3262 C CD2 . PHE A 1 420 ? -5.045 1.209 -28.905 1.00 27.82 ? 418 PHE A CD2 1 ATOM 3263 C CE1 . PHE A 1 420 ? -2.363 1.808 -28.538 1.00 35.47 ? 418 PHE A CE1 1 ATOM 3264 C CE2 . PHE A 1 420 ? -4.158 0.186 -28.541 1.00 27.50 ? 418 PHE A CE2 1 ATOM 3265 C CZ . PHE A 1 420 ? -2.817 0.484 -28.353 1.00 34.35 ? 418 PHE A CZ 1 ATOM 3266 N N . TYR A 1 421 ? -4.347 5.077 -26.767 1.00 27.08 ? 419 TYR A N 1 ATOM 3267 C CA . TYR A 1 421 ? -3.249 5.923 -26.303 1.00 24.20 ? 419 TYR A CA 1 ATOM 3268 C C . TYR A 1 421 ? -1.908 5.206 -26.309 1.00 33.01 ? 419 TYR A C 1 ATOM 3269 O O . TYR A 1 421 ? -1.840 3.975 -26.257 1.00 27.41 ? 419 TYR A O 1 ATOM 3270 C CB . TYR A 1 421 ? -3.528 6.475 -24.898 1.00 32.77 ? 419 TYR A CB 1 ATOM 3271 C CG . TYR A 1 421 ? -3.483 5.452 -23.777 1.00 26.16 ? 419 TYR A CG 1 ATOM 3272 C CD1 . TYR A 1 421 ? -2.264 5.085 -23.186 1.00 28.67 ? 419 TYR A CD1 1 ATOM 3273 C CD2 . TYR A 1 421 ? -4.649 4.867 -23.294 1.00 22.93 ? 419 TYR A CD2 1 ATOM 3274 C CE1 . TYR A 1 421 ? -2.207 4.143 -22.160 1.00 22.89 ? 419 TYR A CE1 1 ATOM 3275 C CE2 . TYR A 1 421 ? -4.604 3.913 -22.257 1.00 20.93 ? 419 TYR A CE2 1 ATOM 3276 C CZ . TYR A 1 421 ? -3.382 3.569 -21.704 1.00 24.78 ? 419 TYR A CZ 1 ATOM 3277 O OH . TYR A 1 421 ? -3.316 2.654 -20.689 1.00 39.03 ? 419 TYR A OH 1 ATOM 3278 N N . TYR A 1 422 ? -0.843 6.002 -26.337 1.00 37.25 ? 420 TYR A N 1 ATOM 3279 C CA . TYR A 1 422 ? 0.523 5.511 -26.225 1.00 29.30 ? 420 TYR A CA 1 ATOM 3280 C C . TYR A 1 422 ? 1.232 6.313 -25.143 1.00 31.70 ? 420 TYR A C 1 ATOM 3281 O O . TYR A 1 422 ? 1.658 7.440 -25.386 1.00 32.98 ? 420 TYR A O 1 ATOM 3282 C CB . TYR A 1 422 ? 1.249 5.719 -27.540 1.00 25.70 ? 420 TYR A CB 1 ATOM 3283 C CG . TYR A 1 422 ? 2.599 5.034 -27.679 1.00 33.08 ? 420 TYR A CG 1 ATOM 3284 C CD1 . TYR A 1 422 ? 2.748 3.680 -27.407 1.00 28.00 ? 420 TYR A CD1 1 ATOM 3285 C CD2 . TYR A 1 422 ? 3.721 5.745 -28.121 1.00 34.37 ? 420 TYR A CD2 1 ATOM 3286 C CE1 . TYR A 1 422 ? 3.972 3.048 -27.565 1.00 37.44 ? 420 TYR A CE1 1 ATOM 3287 C CE2 . TYR A 1 422 ? 4.955 5.128 -28.282 1.00 36.08 ? 420 TYR A CE2 1 ATOM 3288 C CZ . TYR A 1 422 ? 5.073 3.771 -28.011 1.00 46.38 ? 420 TYR A CZ 1 ATOM 3289 O OH . TYR A 1 422 ? 6.290 3.144 -28.167 1.00 41.00 ? 420 TYR A OH 1 ATOM 3290 N N . PHE A 1 423 ? 1.365 5.728 -23.958 1.00 26.87 ? 421 PHE A N 1 ATOM 3291 C CA . PHE A 1 423 ? 1.936 6.426 -22.806 1.00 26.75 ? 421 PHE A CA 1 ATOM 3292 C C . PHE A 1 423 ? 3.456 6.390 -22.879 1.00 29.35 ? 421 PHE A C 1 ATOM 3293 O O . PHE A 1 423 ? 4.052 5.320 -22.900 1.00 39.03 ? 421 PHE A O 1 ATOM 3294 C CB . PHE A 1 423 ? 1.442 5.778 -21.504 1.00 25.00 ? 421 PHE A CB 1 ATOM 3295 C CG . PHE A 1 423 ? 1.867 6.508 -20.273 1.00 32.30 ? 421 PHE A CG 1 ATOM 3296 C CD1 . PHE A 1 423 ? 1.183 7.635 -19.853 1.00 37.50 ? 421 PHE A CD1 1 ATOM 3297 C CD2 . PHE A 1 423 ? 2.965 6.077 -19.536 1.00 34.99 ? 421 PHE A CD2 1 ATOM 3298 C CE1 . PHE A 1 423 ? 1.589 8.336 -18.718 1.00 39.33 ? 421 PHE A CE1 1 ATOM 3299 C CE2 . PHE A 1 423 ? 3.367 6.765 -18.400 1.00 36.15 ? 421 PHE A CE2 1 ATOM 3300 C CZ . PHE A 1 423 ? 2.677 7.899 -17.995 1.00 38.01 ? 421 PHE A CZ 1 ATOM 3301 N N . GLU A 1 424 ? 4.077 7.563 -22.898 1.00 37.79 ? 422 GLU A N 1 ATOM 3302 C CA . GLU A 1 424 ? 5.505 7.702 -23.199 1.00 44.40 ? 422 GLU A CA 1 ATOM 3303 C C . GLU A 1 424 ? 6.304 8.417 -22.112 1.00 44.14 ? 422 GLU A C 1 ATOM 3304 O O . GLU A 1 424 ? 7.451 8.814 -22.337 1.00 41.26 ? 422 GLU A O 1 ATOM 3305 C CB . GLU A 1 424 ? 5.684 8.527 -24.474 1.00 45.78 ? 422 GLU A CB 1 ATOM 3306 C CG . GLU A 1 424 ? 5.488 7.791 -25.773 1.00 55.69 ? 422 GLU A CG 1 ATOM 3307 C CD . GLU A 1 424 ? 5.568 8.740 -26.956 1.00 59.22 ? 422 GLU A CD 1 ATOM 3308 O OE1 . GLU A 1 424 ? 5.002 9.852 -26.856 1.00 57.53 ? 422 GLU A OE1 1 ATOM 3309 O OE2 . GLU A 1 424 ? 6.199 8.384 -27.975 1.00 59.42 ? 422 GLU A OE2 1 ATOM 3310 N N . HIS A 1 425 ? 5.710 8.635 -20.951 1.00 43.68 ? 423 HIS A N 1 ATOM 3311 C CA . HIS A 1 425 ? 6.433 9.382 -19.935 1.00 40.30 ? 423 HIS A CA 1 ATOM 3312 C C . HIS A 1 425 ? 7.033 8.449 -18.900 1.00 41.44 ? 423 HIS A C 1 ATOM 3313 O O . HIS A 1 425 ? 6.352 7.561 -18.403 1.00 40.56 ? 423 HIS A O 1 ATOM 3314 C CB . HIS A 1 425 ? 5.545 10.413 -19.249 1.00 31.75 ? 423 HIS A CB 1 ATOM 3315 C CG . HIS A 1 425 ? 6.245 11.143 -18.148 1.00 39.48 ? 423 HIS A CG 1 ATOM 3316 N ND1 . HIS A 1 425 ? 7.354 11.932 -18.373 1.00 43.74 ? 423 HIS A ND1 1 ATOM 3317 C CD2 . HIS A 1 425 ? 6.017 11.184 -16.814 1.00 37.69 ? 423 HIS A CD2 1 ATOM 3318 C CE1 . HIS A 1 425 ? 7.768 12.443 -17.229 1.00 45.35 ? 423 HIS A CE1 1 ATOM 3319 N NE2 . HIS A 1 425 ? 6.981 11.996 -16.267 1.00 50.30 ? 423 HIS A NE2 1 ATOM 3320 N N . ARG A 1 426 ? 8.308 8.653 -18.584 1.00 42.14 ? 424 ARG A N 1 ATOM 3321 C CA . ARG A 1 426 ? 8.954 7.895 -17.518 1.00 50.32 ? 424 ARG A CA 1 ATOM 3322 C C . ARG A 1 426 ? 8.946 8.675 -16.198 1.00 48.74 ? 424 ARG A C 1 ATOM 3323 O O . ARG A 1 426 ? 9.543 9.750 -16.096 1.00 48.37 ? 424 ARG A O 1 ATOM 3324 C CB . ARG A 1 426 ? 10.388 7.516 -17.892 1.00 52.36 ? 424 ARG A CB 1 ATOM 3325 C CG . ARG A 1 426 ? 11.039 6.591 -16.872 1.00 51.69 ? 424 ARG A CG 1 ATOM 3326 C CD . ARG A 1 426 ? 12.510 6.420 -17.133 1.00 51.22 ? 424 ARG A CD 1 ATOM 3327 N NE . ARG A 1 426 ? 13.236 6.330 -15.874 1.00 58.24 ? 424 ARG A NE 1 ATOM 3328 C CZ . ARG A 1 426 ? 13.626 5.194 -15.308 1.00 58.11 ? 424 ARG A CZ 1 ATOM 3329 N NH1 . ARG A 1 426 ? 13.368 4.025 -15.891 1.00 59.60 ? 424 ARG A NH1 1 ATOM 3330 N NH2 . ARG A 1 426 ? 14.275 5.236 -14.152 1.00 49.10 ? 424 ARG A NH2 1 ATOM 3331 N N . SER A 1 427 ? 8.264 8.122 -15.198 1.00 38.21 ? 425 SER A N 1 ATOM 3332 C CA . SER A 1 427 ? 8.150 8.746 -13.883 1.00 37.03 ? 425 SER A CA 1 ATOM 3333 C C . SER A 1 427 ? 9.500 9.149 -13.308 1.00 48.12 ? 425 SER A C 1 ATOM 3334 O O . SER A 1 427 ? 10.457 8.378 -13.332 1.00 46.90 ? 425 SER A O 1 ATOM 3335 C CB . SER A 1 427 ? 7.438 7.815 -12.890 1.00 33.30 ? 425 SER A CB 1 ATOM 3336 O OG . SER A 1 427 ? 7.684 8.211 -11.540 1.00 42.71 ? 425 SER A OG 1 ATOM 3337 N N . SER A 1 428 ? 9.560 10.360 -12.768 1.00 50.21 ? 426 SER A N 1 ATOM 3338 C CA . SER A 1 428 ? 10.784 10.867 -12.183 1.00 52.03 ? 426 SER A CA 1 ATOM 3339 C C . SER A 1 428 ? 11.140 10.101 -10.904 1.00 58.07 ? 426 SER A C 1 ATOM 3340 O O . SER A 1 428 ? 12.266 10.214 -10.398 1.00 47.42 ? 426 SER A O 1 ATOM 3341 C CB . SER A 1 428 ? 10.621 12.348 -11.879 1.00 41.14 ? 426 SER A CB 1 ATOM 3342 O OG . SER A 1 428 ? 9.486 12.530 -11.064 1.00 47.09 ? 426 SER A OG 1 ATOM 3343 N N . LYS A 1 429 ? 10.179 9.325 -10.396 1.00 57.18 ? 427 LYS A N 1 ATOM 3344 C CA . LYS A 1 429 ? 10.371 8.540 -9.178 1.00 62.58 ? 427 LYS A CA 1 ATOM 3345 C C . LYS A 1 429 ? 10.488 7.035 -9.437 1.00 62.21 ? 427 LYS A C 1 ATOM 3346 O O . LYS A 1 429 ? 10.582 6.250 -8.493 1.00 69.80 ? 427 LYS A O 1 ATOM 3347 C CB . LYS A 1 429 ? 9.236 8.807 -8.183 1.00 59.93 ? 427 LYS A CB 1 ATOM 3348 C CG . LYS A 1 429 ? 9.305 10.162 -7.513 1.00 56.97 ? 427 LYS A CG 1 ATOM 3349 C CD . LYS A 1 429 ? 7.928 10.612 -7.075 1.00 57.09 ? 427 LYS A CD 1 ATOM 3350 C CE . LYS A 1 429 ? 7.331 9.652 -6.056 1.00 58.92 ? 427 LYS A CE 1 ATOM 3351 N NZ . LYS A 1 429 ? 7.722 10.000 -4.669 1.00 53.82 ? 427 LYS A NZ 1 ATOM 3352 N N . LEU A 1 430 ? 10.472 6.642 -10.708 1.00 51.64 ? 428 LEU A N 1 ATOM 3353 C CA . LEU A 1 430 ? 10.687 5.254 -11.101 1.00 51.73 ? 428 LEU A CA 1 ATOM 3354 C C . LEU A 1 430 ? 12.003 4.739 -10.485 1.00 53.84 ? 428 LEU A C 1 ATOM 3355 O O . LEU A 1 430 ? 13.060 5.313 -10.724 1.00 65.36 ? 428 LEU A O 1 ATOM 3356 C CB . LEU A 1 430 ? 10.743 5.156 -12.624 1.00 46.35 ? 428 LEU A CB 1 ATOM 3357 C CG . LEU A 1 430 ? 10.068 4.031 -13.442 1.00 54.07 ? 428 LEU A CG 1 ATOM 3358 C CD1 . LEU A 1 430 ? 9.936 2.714 -12.705 1.00 52.74 ? 428 LEU A CD1 1 ATOM 3359 C CD2 . LEU A 1 430 ? 8.724 4.456 -13.988 1.00 54.38 ? 428 LEU A CD2 1 ATOM 3360 N N . PRO A 1 431 ? 11.927 3.674 -9.665 1.00 40.14 ? 429 PRO A N 1 ATOM 3361 C CA . PRO A 1 431 ? 13.056 3.082 -8.924 1.00 41.09 ? 429 PRO A CA 1 ATOM 3362 C C . PRO A 1 431 ? 13.945 2.171 -9.771 1.00 48.49 ? 429 PRO A C 1 ATOM 3363 O O . PRO A 1 431 ? 15.101 1.929 -9.399 1.00 51.86 ? 429 PRO A O 1 ATOM 3364 C CB . PRO A 1 431 ? 12.369 2.238 -7.844 1.00 40.71 ? 429 PRO A CB 1 ATOM 3365 C CG . PRO A 1 431 ? 10.890 2.622 -7.901 1.00 40.46 ? 429 PRO A CG 1 ATOM 3366 C CD . PRO A 1 431 ? 10.650 3.040 -9.303 1.00 35.03 ? 429 PRO A CD 1 ATOM 3367 N N . TRP A 1 432 ? 13.397 1.670 -10.880 1.00 42.45 ? 430 TRP A N 1 ATOM 3368 C CA . TRP A 1 432 ? 14.139 0.867 -11.845 1.00 42.37 ? 430 TRP A CA 1 ATOM 3369 C C . TRP A 1 432 ? 15.141 1.711 -12.652 1.00 49.25 ? 430 TRP A C 1 ATOM 3370 O O . TRP A 1 432 ? 14.976 2.923 -12.796 1.00 44.01 ? 430 TRP A O 1 ATOM 3371 C CB . TRP A 1 432 ? 13.160 0.139 -12.775 1.00 40.44 ? 430 TRP A CB 1 ATOM 3372 C CG . TRP A 1 432 ? 12.216 -0.805 -12.035 1.00 46.54 ? 430 TRP A CG 1 ATOM 3373 C CD1 . TRP A 1 432 ? 10.950 -0.521 -11.595 1.00 45.75 ? 430 TRP A CD1 1 ATOM 3374 C CD2 . TRP A 1 432 ? 12.474 -2.169 -11.647 1.00 38.21 ? 430 TRP A CD2 1 ATOM 3375 N NE1 . TRP A 1 432 ? 10.410 -1.615 -10.968 1.00 43.11 ? 430 TRP A NE1 1 ATOM 3376 C CE2 . TRP A 1 432 ? 11.318 -2.640 -10.985 1.00 36.43 ? 430 TRP A CE2 1 ATOM 3377 C CE3 . TRP A 1 432 ? 13.563 -3.036 -11.801 1.00 43.89 ? 430 TRP A CE3 1 ATOM 3378 C CZ2 . TRP A 1 432 ? 11.220 -3.938 -10.470 1.00 38.66 ? 430 TRP A CZ2 1 ATOM 3379 C CZ3 . TRP A 1 432 ? 13.464 -4.338 -11.288 1.00 46.38 ? 430 TRP A CZ3 1 ATOM 3380 C CH2 . TRP A 1 432 ? 12.299 -4.771 -10.634 1.00 44.38 ? 430 TRP A CH2 1 ATOM 3381 N N . PRO A 1 433 ? 16.199 1.074 -13.171 1.00 53.97 ? 431 PRO A N 1 ATOM 3382 C CA . PRO A 1 433 ? 17.212 1.838 -13.915 1.00 55.56 ? 431 PRO A CA 1 ATOM 3383 C C . PRO A 1 433 ? 16.655 2.546 -15.160 1.00 54.96 ? 431 PRO A C 1 ATOM 3384 O O . PRO A 1 433 ? 15.514 2.313 -15.551 1.00 55.07 ? 431 PRO A O 1 ATOM 3385 C CB . PRO A 1 433 ? 18.250 0.772 -14.300 1.00 55.55 ? 431 PRO A CB 1 ATOM 3386 C CG . PRO A 1 433 ? 17.519 -0.547 -14.172 1.00 57.87 ? 431 PRO A CG 1 ATOM 3387 C CD . PRO A 1 433 ? 16.543 -0.354 -13.060 1.00 53.76 ? 431 PRO A CD 1 ATOM 3388 N N . GLU A 1 434 ? 17.458 3.420 -15.756 1.00 61.65 ? 432 GLU A N 1 ATOM 3389 C CA . GLU A 1 434 ? 17.033 4.199 -16.913 1.00 61.31 ? 432 GLU A CA 1 ATOM 3390 C C . GLU A 1 434 ? 16.770 3.312 -18.117 1.00 53.97 ? 432 GLU A C 1 ATOM 3391 O O . GLU A 1 434 ? 15.830 3.547 -18.869 1.00 55.26 ? 432 GLU A O 1 ATOM 3392 C CB . GLU A 1 434 ? 18.093 5.236 -17.281 1.00 74.96 ? 432 GLU A CB 1 ATOM 3393 C CG . GLU A 1 434 ? 18.227 6.392 -16.304 1.00 91.89 ? 432 GLU A CG 1 ATOM 3394 C CD . GLU A 1 434 ? 17.472 7.634 -16.750 1.00 105.37 ? 432 GLU A CD 1 ATOM 3395 O OE1 . GLU A 1 434 ? 16.378 7.495 -17.344 1.00 106.58 ? 432 GLU A OE1 1 ATOM 3396 O OE2 . GLU A 1 434 ? 17.982 8.751 -16.509 1.00 112.39 ? 432 GLU A OE2 1 ATOM 3397 N N . TRP A 1 435 ? 17.587 2.277 -18.288 1.00 52.95 ? 433 TRP A N 1 ATOM 3398 C CA . TRP A 1 435 ? 17.501 1.442 -19.488 1.00 52.69 ? 433 TRP A CA 1 ATOM 3399 C C . TRP A 1 435 ? 16.160 0.731 -19.656 1.00 50.17 ? 433 TRP A C 1 ATOM 3400 O O . TRP A 1 435 ? 15.848 0.241 -20.743 1.00 50.99 ? 433 TRP A O 1 ATOM 3401 C CB . TRP A 1 435 ? 18.662 0.433 -19.571 1.00 55.90 ? 433 TRP A CB 1 ATOM 3402 C CG . TRP A 1 435 ? 18.604 -0.730 -18.606 1.00 53.25 ? 433 TRP A CG 1 ATOM 3403 C CD1 . TRP A 1 435 ? 19.282 -0.846 -17.432 1.00 47.96 ? 433 TRP A CD1 1 ATOM 3404 C CD2 . TRP A 1 435 ? 17.857 -1.949 -18.757 1.00 55.08 ? 433 TRP A CD2 1 ATOM 3405 N NE1 . TRP A 1 435 ? 19.000 -2.049 -16.837 1.00 48.36 ? 433 TRP A NE1 1 ATOM 3406 C CE2 . TRP A 1 435 ? 18.124 -2.744 -17.627 1.00 53.46 ? 433 TRP A CE2 1 ATOM 3407 C CE3 . TRP A 1 435 ? 16.986 -2.443 -19.738 1.00 59.10 ? 433 TRP A CE3 1 ATOM 3408 C CZ2 . TRP A 1 435 ? 17.548 -4.010 -17.442 1.00 54.86 ? 433 TRP A CZ2 1 ATOM 3409 C CZ3 . TRP A 1 435 ? 16.407 -3.702 -19.548 1.00 51.65 ? 433 TRP A CZ3 1 ATOM 3410 C CH2 . TRP A 1 435 ? 16.694 -4.465 -18.411 1.00 46.26 ? 433 TRP A CH2 1 ATOM 3411 N N . MET A 1 436 ? 15.376 0.670 -18.584 1.00 44.63 ? 434 MET A N 1 ATOM 3412 C CA . MET A 1 436 ? 14.102 -0.025 -18.622 1.00 40.74 ? 434 MET A CA 1 ATOM 3413 C C . MET A 1 436 ? 12.992 0.911 -19.078 1.00 40.93 ? 434 MET A C 1 ATOM 3414 O O . MET A 1 436 ? 11.871 0.478 -19.352 1.00 33.34 ? 434 MET A O 1 ATOM 3415 C CB . MET A 1 436 ? 13.807 -0.690 -17.273 1.00 40.86 ? 434 MET A CB 1 ATOM 3416 C CG . MET A 1 436 ? 14.813 -1.804 -16.933 1.00 34.72 ? 434 MET A CG 1 ATOM 3417 S SD . MET A 1 436 ? 14.633 -2.522 -15.289 1.00 43.50 ? 434 MET A SD 1 ATOM 3418 C CE . MET A 1 436 ? 13.101 -3.397 -15.505 1.00 33.23 ? 434 MET A CE 1 ATOM 3419 N N . GLY A 1 437 ? 13.326 2.198 -19.188 1.00 40.89 ? 435 GLY A N 1 ATOM 3420 C CA . GLY A 1 437 ? 12.445 3.163 -19.832 1.00 28.65 ? 435 GLY A CA 1 ATOM 3421 C C . GLY A 1 437 ? 11.048 3.271 -19.228 1.00 40.72 ? 435 GLY A C 1 ATOM 3422 O O . GLY A 1 437 ? 10.870 3.205 -18.006 1.00 38.36 ? 435 GLY A O 1 ATOM 3423 N N . VAL A 1 438 ? 10.052 3.433 -20.094 1.00 36.20 ? 436 VAL A N 1 ATOM 3424 C CA . VAL A 1 438 ? 8.671 3.626 -19.658 1.00 37.17 ? 436 VAL A CA 1 ATOM 3425 C C . VAL A 1 438 ? 7.996 2.267 -19.409 1.00 37.96 ? 436 VAL A C 1 ATOM 3426 O O . VAL A 1 438 ? 7.386 1.664 -20.303 1.00 32.89 ? 436 VAL A O 1 ATOM 3427 C CB . VAL A 1 438 ? 7.899 4.474 -20.690 1.00 34.45 ? 436 VAL A CB 1 ATOM 3428 C CG1 . VAL A 1 438 ? 6.498 4.765 -20.219 1.00 28.33 ? 436 VAL A CG1 1 ATOM 3429 C CG2 . VAL A 1 438 ? 8.655 5.762 -20.959 1.00 30.18 ? 436 VAL A CG2 1 ATOM 3430 N N . MET A 1 439 ? 8.111 1.797 -18.175 1.00 39.41 ? 437 MET A N 1 ATOM 3431 C CA . MET A 1 439 ? 7.806 0.407 -17.852 1.00 36.62 ? 437 MET A CA 1 ATOM 3432 C C . MET A 1 439 ? 6.325 0.074 -17.735 1.00 40.83 ? 437 MET A C 1 ATOM 3433 O O . MET A 1 439 ? 5.476 0.937 -17.463 1.00 39.49 ? 437 MET A O 1 ATOM 3434 C CB . MET A 1 439 ? 8.493 0.011 -16.550 1.00 34.33 ? 437 MET A CB 1 ATOM 3435 C CG . MET A 1 439 ? 9.984 -0.169 -16.664 1.00 49.78 ? 437 MET A CG 1 ATOM 3436 S SD . MET A 1 439 ? 10.687 -0.523 -15.041 1.00 47.84 ? 437 MET A SD 1 ATOM 3437 C CE . MET A 1 439 ? 9.743 -1.973 -14.588 1.00 44.91 ? 437 MET A CE 1 ATOM 3438 N N . HIS A 1 440 ? 6.057 -1.209 -17.944 1.00 28.09 ? 438 HIS A N 1 ATOM 3439 C CA . HIS A 1 440 ? 4.804 -1.859 -17.603 1.00 30.84 ? 438 HIS A CA 1 ATOM 3440 C C . HIS A 1 440 ? 4.344 -1.483 -16.195 1.00 35.88 ? 438 HIS A C 1 ATOM 3441 O O . HIS A 1 440 ? 5.116 -1.543 -15.233 1.00 37.54 ? 438 HIS A O 1 ATOM 3442 C CB . HIS A 1 440 ? 5.012 -3.375 -17.690 1.00 32.55 ? 438 HIS A CB 1 ATOM 3443 C CG . HIS A 1 440 ? 3.746 -4.167 -17.634 1.00 37.58 ? 438 HIS A CG 1 ATOM 3444 N ND1 . HIS A 1 440 ? 2.740 -4.037 -18.571 1.00 36.22 ? 438 HIS A ND1 1 ATOM 3445 C CD2 . HIS A 1 440 ? 3.328 -5.115 -16.761 1.00 27.07 ? 438 HIS A CD2 1 ATOM 3446 C CE1 . HIS A 1 440 ? 1.755 -4.865 -18.272 1.00 27.85 ? 438 HIS A CE1 1 ATOM 3447 N NE2 . HIS A 1 440 ? 2.087 -5.529 -17.178 1.00 31.52 ? 438 HIS A NE2 1 ATOM 3448 N N . GLY A 1 441 ? 3.082 -1.092 -16.074 1.00 34.60 ? 439 GLY A N 1 ATOM 3449 C CA . GLY A 1 441 ? 2.537 -0.713 -14.783 1.00 30.51 ? 439 GLY A CA 1 ATOM 3450 C C . GLY A 1 441 ? 2.857 0.689 -14.275 1.00 36.54 ? 439 GLY A C 1 ATOM 3451 O O . GLY A 1 441 ? 2.318 1.101 -13.256 1.00 39.91 ? 439 GLY A O 1 ATOM 3452 N N . TYR A 1 442 ? 3.723 1.431 -14.960 1.00 32.53 ? 440 TYR A N 1 ATOM 3453 C CA . TYR A 1 442 ? 4.133 2.735 -14.435 1.00 32.49 ? 440 TYR A CA 1 ATOM 3454 C C . TYR A 1 442 ? 3.406 3.949 -15.038 1.00 35.28 ? 440 TYR A C 1 ATOM 3455 O O . TYR A 1 442 ? 3.831 5.097 -14.891 1.00 33.79 ? 440 TYR A O 1 ATOM 3456 C CB . TYR A 1 442 ? 5.658 2.873 -14.409 1.00 26.96 ? 440 TYR A CB 1 ATOM 3457 C CG . TYR A 1 442 ? 6.248 2.003 -13.315 1.00 32.97 ? 440 TYR A CG 1 ATOM 3458 C CD1 . TYR A 1 442 ? 6.394 2.487 -12.016 1.00 35.34 ? 440 TYR A CD1 1 ATOM 3459 C CD2 . TYR A 1 442 ? 6.606 0.675 -13.568 1.00 34.37 ? 440 TYR A CD2 1 ATOM 3460 C CE1 . TYR A 1 442 ? 6.907 1.683 -10.995 1.00 41.18 ? 440 TYR A CE1 1 ATOM 3461 C CE2 . TYR A 1 442 ? 7.123 -0.136 -12.559 1.00 33.14 ? 440 TYR A CE2 1 ATOM 3462 C CZ . TYR A 1 442 ? 7.265 0.370 -11.279 1.00 41.40 ? 440 TYR A CZ 1 ATOM 3463 O OH . TYR A 1 442 ? 7.761 -0.436 -10.286 1.00 36.79 ? 440 TYR A OH 1 ATOM 3464 N N . GLU A 1 443 ? 2.290 3.667 -15.700 1.00 26.75 ? 441 GLU A N 1 ATOM 3465 C CA . GLU A 1 443 ? 1.333 4.690 -16.055 1.00 30.99 ? 441 GLU A CA 1 ATOM 3466 C C . GLU A 1 443 ? 0.262 4.768 -14.960 1.00 35.74 ? 441 GLU A C 1 ATOM 3467 O O . GLU A 1 443 ? -0.432 5.772 -14.826 1.00 42.33 ? 441 GLU A O 1 ATOM 3468 C CB . GLU A 1 443 ? 0.701 4.372 -17.414 1.00 27.19 ? 441 GLU A CB 1 ATOM 3469 C CG . GLU A 1 443 ? -0.601 3.595 -17.340 1.00 32.65 ? 441 GLU A CG 1 ATOM 3470 C CD . GLU A 1 443 ? -0.424 2.113 -16.986 1.00 40.79 ? 441 GLU A CD 1 ATOM 3471 O OE1 . GLU A 1 443 ? 0.728 1.626 -16.852 1.00 42.55 ? 441 GLU A OE1 1 ATOM 3472 O OE2 . GLU A 1 443 ? -1.459 1.429 -16.846 1.00 41.79 ? 441 GLU A OE2 1 ATOM 3473 N N . ILE A 1 444 ? 0.148 3.702 -14.169 1.00 38.15 ? 442 ILE A N 1 ATOM 3474 C CA . ILE A 1 444 ? -0.933 3.558 -13.193 1.00 33.08 ? 442 ILE A CA 1 ATOM 3475 C C . ILE A 1 444 ? -0.963 4.676 -12.161 1.00 38.80 ? 442 ILE A C 1 ATOM 3476 O O . ILE A 1 444 ? -2.028 5.217 -11.839 1.00 41.34 ? 442 ILE A O 1 ATOM 3477 C CB . ILE A 1 444 ? -0.818 2.231 -12.442 1.00 25.92 ? 442 ILE A CB 1 ATOM 3478 C CG1 . ILE A 1 444 ? -1.053 1.067 -13.408 1.00 27.13 ? 442 ILE A CG1 1 ATOM 3479 C CG2 . ILE A 1 444 ? -1.772 2.208 -11.244 1.00 17.75 ? 442 ILE A CG2 1 ATOM 3480 C CD1 . ILE A 1 444 ? -0.878 -0.313 -12.784 1.00 25.85 ? 442 ILE A CD1 1 ATOM 3481 N N . GLU A 1 445 ? 0.211 5.002 -11.631 1.00 36.56 ? 443 GLU A N 1 ATOM 3482 C CA . GLU A 1 445 ? 0.330 6.077 -10.663 1.00 39.30 ? 443 GLU A CA 1 ATOM 3483 C C . GLU A 1 445 ? -0.167 7.421 -11.220 1.00 39.32 ? 443 GLU A C 1 ATOM 3484 O O . GLU A 1 445 ? -0.667 8.265 -10.469 1.00 45.62 ? 443 GLU A O 1 ATOM 3485 C CB . GLU A 1 445 ? 1.762 6.170 -10.118 1.00 39.78 ? 443 GLU A CB 1 ATOM 3486 C CG . GLU A 1 445 ? 2.852 6.373 -11.140 1.00 40.46 ? 443 GLU A CG 1 ATOM 3487 C CD . GLU A 1 445 ? 4.229 6.068 -10.553 1.00 51.06 ? 443 GLU A CD 1 ATOM 3488 O OE1 . GLU A 1 445 ? 4.883 6.987 -9.981 1.00 44.73 ? 443 GLU A OE1 1 ATOM 3489 O OE2 . GLU A 1 445 ? 4.652 4.893 -10.657 1.00 49.48 ? 443 GLU A OE2 1 ATOM 3490 N N . PHE A 1 446 ? -0.061 7.592 -12.535 1.00 28.94 ? 444 PHE A N 1 ATOM 3491 C CA . PHE A 1 446 ? -0.535 8.811 -13.197 1.00 37.41 ? 444 PHE A CA 1 ATOM 3492 C C . PHE A 1 446 ? -2.051 8.812 -13.397 1.00 38.52 ? 444 PHE A C 1 ATOM 3493 O O . PHE A 1 446 ? -2.713 9.817 -13.170 1.00 37.97 ? 444 PHE A O 1 ATOM 3494 C CB . PHE A 1 446 ? 0.200 9.028 -14.530 1.00 33.16 ? 444 PHE A CB 1 ATOM 3495 C CG . PHE A 1 446 ? 1.617 9.504 -14.356 1.00 40.44 ? 444 PHE A CG 1 ATOM 3496 C CD1 . PHE A 1 446 ? 2.631 8.607 -14.067 1.00 41.99 ? 444 PHE A CD1 1 ATOM 3497 C CD2 . PHE A 1 446 ? 1.924 10.853 -14.441 1.00 41.47 ? 444 PHE A CD2 1 ATOM 3498 C CE1 . PHE A 1 446 ? 3.927 9.039 -13.868 1.00 40.82 ? 444 PHE A CE1 1 ATOM 3499 C CE2 . PHE A 1 446 ? 3.214 11.293 -14.256 1.00 40.37 ? 444 PHE A CE2 1 ATOM 3500 C CZ . PHE A 1 446 ? 4.218 10.388 -13.971 1.00 47.77 ? 444 PHE A CZ 1 ATOM 3501 N N . VAL A 1 447 ? -2.585 7.676 -13.825 1.00 34.70 ? 445 VAL A N 1 ATOM 3502 C CA . VAL A 1 447 ? -4.019 7.471 -13.935 1.00 26.68 ? 445 VAL A CA 1 ATOM 3503 C C . VAL A 1 447 ? -4.778 7.709 -12.619 1.00 32.22 ? 445 VAL A C 1 ATOM 3504 O O . VAL A 1 447 ? -5.883 8.234 -12.639 1.00 39.56 ? 445 VAL A O 1 ATOM 3505 C CB . VAL A 1 447 ? -4.301 6.038 -14.468 1.00 36.56 ? 445 VAL A CB 1 ATOM 3506 C CG1 . VAL A 1 447 ? -5.784 5.680 -14.366 1.00 27.65 ? 445 VAL A CG1 1 ATOM 3507 C CG2 . VAL A 1 447 ? -3.798 5.904 -15.906 1.00 18.28 ? 445 VAL A CG2 1 ATOM 3508 N N . PHE A 1 448 ? -4.181 7.337 -11.484 1.00 31.83 ? 446 PHE A N 1 ATOM 3509 C CA . PHE A 1 448 ? -4.842 7.450 -10.173 1.00 28.89 ? 446 PHE A CA 1 ATOM 3510 C C . PHE A 1 448 ? -4.551 8.793 -9.500 1.00 37.91 ? 446 PHE A C 1 ATOM 3511 O O . PHE A 1 448 ? -5.079 9.103 -8.425 1.00 39.88 ? 446 PHE A O 1 ATOM 3512 C CB . PHE A 1 448 ? -4.458 6.281 -9.235 1.00 28.09 ? 446 PHE A CB 1 ATOM 3513 C CG . PHE A 1 448 ? -5.321 5.049 -9.399 1.00 29.91 ? 446 PHE A CG 1 ATOM 3514 C CD1 . PHE A 1 448 ? -5.068 4.133 -10.419 1.00 25.76 ? 446 PHE A CD1 1 ATOM 3515 C CD2 . PHE A 1 448 ? -6.375 4.803 -8.524 1.00 33.54 ? 446 PHE A CD2 1 ATOM 3516 C CE1 . PHE A 1 448 ? -5.850 2.987 -10.568 1.00 25.69 ? 446 PHE A CE1 1 ATOM 3517 C CE2 . PHE A 1 448 ? -7.176 3.672 -8.667 1.00 34.79 ? 446 PHE A CE2 1 ATOM 3518 C CZ . PHE A 1 448 ? -6.913 2.760 -9.697 1.00 33.19 ? 446 PHE A CZ 1 ATOM 3519 N N . GLY A 1 449 ? -3.695 9.585 -10.126 1.00 32.21 ? 447 GLY A N 1 ATOM 3520 C CA . GLY A 1 449 ? -3.574 10.972 -9.738 1.00 36.60 ? 447 GLY A CA 1 ATOM 3521 C C . GLY A 1 449 ? -2.560 11.250 -8.660 1.00 38.24 ? 447 GLY A C 1 ATOM 3522 O O . GLY A 1 449 ? -2.516 12.354 -8.116 1.00 34.50 ? 447 GLY A O 1 ATOM 3523 N N . LEU A 1 450 ? -1.739 10.253 -8.348 1.00 40.25 ? 448 LEU A N 1 ATOM 3524 C CA . LEU A 1 450 ? -0.697 10.425 -7.332 1.00 37.62 ? 448 LEU A CA 1 ATOM 3525 C C . LEU A 1 450 ? 0.188 11.671 -7.549 1.00 42.19 ? 448 LEU A C 1 ATOM 3526 O O . LEU A 1 450 ? 0.550 12.324 -6.580 1.00 44.37 ? 448 LEU A O 1 ATOM 3527 C CB . LEU A 1 450 ? 0.162 9.162 -7.181 1.00 32.47 ? 448 LEU A CB 1 ATOM 3528 C CG . LEU A 1 450 ? -0.380 8.024 -6.304 1.00 40.13 ? 448 LEU A CG 1 ATOM 3529 C CD1 . LEU A 1 450 ? -1.697 7.405 -6.856 1.00 35.77 ? 448 LEU A CD1 1 ATOM 3530 C CD2 . LEU A 1 450 ? 0.700 6.945 -6.112 1.00 29.35 ? 448 LEU A CD2 1 ATOM 3531 N N . PRO A 1 451 ? 0.528 12.015 -8.811 1.00 38.25 ? 449 PRO A N 1 ATOM 3532 C CA . PRO A 1 451 ? 1.330 13.238 -8.924 1.00 39.96 ? 449 PRO A CA 1 ATOM 3533 C C . PRO A 1 451 ? 0.574 14.530 -8.599 1.00 44.20 ? 449 PRO A C 1 ATOM 3534 O O . PRO A 1 451 ? 1.203 15.584 -8.593 1.00 56.76 ? 449 PRO A O 1 ATOM 3535 C CB . PRO A 1 451 ? 1.779 13.236 -10.393 1.00 41.57 ? 449 PRO A CB 1 ATOM 3536 C CG . PRO A 1 451 ? 1.691 11.802 -10.812 1.00 35.73 ? 449 PRO A CG 1 ATOM 3537 C CD . PRO A 1 451 ? 0.484 11.284 -10.090 1.00 36.02 ? 449 PRO A CD 1 ATOM 3538 N N . LEU A 1 452 ? -0.725 14.464 -8.319 1.00 37.65 ? 450 LEU A N 1 ATOM 3539 C CA . LEU A 1 452 ? -1.458 15.672 -7.929 1.00 41.95 ? 450 LEU A CA 1 ATOM 3540 C C . LEU A 1 452 ? -1.120 16.115 -6.514 1.00 45.90 ? 450 LEU A C 1 ATOM 3541 O O . LEU A 1 452 ? -1.381 17.262 -6.137 1.00 53.51 ? 450 LEU A O 1 ATOM 3542 C CB . LEU A 1 452 ? -2.975 15.492 -8.067 1.00 40.62 ? 450 LEU A CB 1 ATOM 3543 C CG . LEU A 1 452 ? -3.428 15.118 -9.475 1.00 45.03 ? 450 LEU A CG 1 ATOM 3544 C CD1 . LEU A 1 452 ? -4.931 14.839 -9.527 1.00 44.58 ? 450 LEU A CD1 1 ATOM 3545 C CD2 . LEU A 1 452 ? -3.021 16.210 -10.437 1.00 46.47 ? 450 LEU A CD2 1 ATOM 3546 N N . GLU A 1 453 ? -0.543 15.203 -5.735 1.00 42.97 ? 451 GLU A N 1 ATOM 3547 C CA . GLU A 1 453 ? -0.193 15.478 -4.342 1.00 46.05 ? 451 GLU A CA 1 ATOM 3548 C C . GLU A 1 453 ? 1.171 16.176 -4.273 1.00 55.51 ? 451 GLU A C 1 ATOM 3549 O O . GLU A 1 453 ? 2.218 15.560 -4.471 1.00 55.81 ? 451 GLU A O 1 ATOM 3550 C CB . GLU A 1 453 ? -0.205 14.178 -3.525 1.00 42.50 ? 451 GLU A CB 1 ATOM 3551 C CG . GLU A 1 453 ? 0.214 14.329 -2.062 1.00 54.78 ? 451 GLU A CG 1 ATOM 3552 C CD . GLU A 1 453 ? -0.411 15.533 -1.365 1.00 64.11 ? 451 GLU A CD 1 ATOM 3553 O OE1 . GLU A 1 453 ? -1.606 15.464 -1.008 1.00 71.99 ? 451 GLU A OE1 1 ATOM 3554 O OE2 . GLU A 1 453 ? 0.298 16.544 -1.160 1.00 64.02 ? 451 GLU A OE2 1 ATOM 3555 N N . ARG A 1 454 ? 1.155 17.474 -4.006 1.00 58.06 ? 452 ARG A N 1 ATOM 3556 C CA . ARG A 1 454 ? 2.377 18.263 -4.098 1.00 62.49 ? 452 ARG A CA 1 ATOM 3557 C C . ARG A 1 454 ? 3.451 17.883 -3.085 1.00 62.01 ? 452 ARG A C 1 ATOM 3558 O O . ARG A 1 454 ? 4.637 18.067 -3.347 1.00 59.13 ? 452 ARG A O 1 ATOM 3559 C CB . ARG A 1 454 ? 2.067 19.763 -4.082 1.00 63.18 ? 452 ARG A CB 1 ATOM 3560 C CG . ARG A 1 454 ? 1.615 20.242 -5.448 1.00 67.07 ? 452 ARG A CG 1 ATOM 3561 C CD . ARG A 1 454 ? 0.869 21.558 -5.425 1.00 78.28 ? 452 ARG A CD 1 ATOM 3562 N NE . ARG A 1 454 ? 0.234 21.807 -6.719 1.00 82.25 ? 452 ARG A NE 1 ATOM 3563 C CZ . ARG A 1 454 ? -0.591 22.818 -6.973 1.00 80.64 ? 452 ARG A CZ 1 ATOM 3564 N NH1 . ARG A 1 454 ? -0.888 23.691 -6.017 1.00 78.04 ? 452 ARG A NH1 1 ATOM 3565 N NH2 . ARG A 1 454 ? -1.120 22.953 -8.184 1.00 76.09 ? 452 ARG A NH2 1 ATOM 3566 N N . ARG A 1 455 ? 3.046 17.317 -1.952 1.00 61.00 ? 453 ARG A N 1 ATOM 3567 C CA . ARG A 1 455 ? 4.008 16.850 -0.959 1.00 57.31 ? 453 ARG A CA 1 ATOM 3568 C C . ARG A 1 455 ? 4.772 15.579 -1.380 1.00 62.37 ? 453 ARG A C 1 ATOM 3569 O O . ARG A 1 455 ? 5.474 14.999 -0.554 1.00 66.00 ? 453 ARG A O 1 ATOM 3570 C CB . ARG A 1 455 ? 3.311 16.614 0.383 1.00 59.10 ? 453 ARG A CB 1 ATOM 3571 C CG . ARG A 1 455 ? 2.949 17.886 1.141 1.00 62.29 ? 453 ARG A CG 1 ATOM 3572 C CD . ARG A 1 455 ? 1.451 18.051 1.336 0.0000 61.60 ? 453 ARG A CD 1 ATOM 3573 N NE . ARG A 1 455 ? 0.889 17.030 2.215 0.0000 61.36 ? 453 ARG A NE 1 ATOM 3574 C CZ . ARG A 1 455 ? -0.366 17.032 2.652 0.0000 61.19 ? 453 ARG A CZ 1 ATOM 3575 N NH1 . ARG A 1 455 ? -1.194 18.005 2.293 0.0000 61.26 ? 453 ARG A NH1 1 ATOM 3576 N NH2 . ARG A 1 455 ? -0.795 16.064 3.450 0.0000 61.13 ? 453 ARG A NH2 1 ATOM 3577 N N . ASP A 1 456 ? 4.666 15.171 -2.653 1.00 56.80 ? 454 ASP A N 1 ATOM 3578 C CA . ASP A 1 456 ? 5.101 13.833 -3.092 1.00 59.48 ? 454 ASP A CA 1 ATOM 3579 C C . ASP A 1 456 ? 6.358 13.789 -3.997 1.00 61.57 ? 454 ASP A C 1 ATOM 3580 O O . ASP A 1 456 ? 6.756 12.710 -4.445 1.00 58.70 ? 454 ASP A O 1 ATOM 3581 C CB . ASP A 1 456 ? 3.929 13.113 -3.787 1.00 64.45 ? 454 ASP A CB 1 ATOM 3582 C CG . ASP A 1 456 ? 4.029 11.575 -3.737 1.00 72.63 ? 454 ASP A CG 1 ATOM 3583 O OD1 . ASP A 1 456 ? 5.098 11.025 -3.392 1.00 68.76 ? 454 ASP A OD1 1 ATOM 3584 O OD2 . ASP A 1 456 ? 3.014 10.907 -4.061 1.00 77.37 ? 454 ASP A OD2 1 ATOM 3585 N N . ASN A 1 457 ? 6.974 14.940 -4.270 1.00 63.01 ? 455 ASN A N 1 ATOM 3586 C CA . ASN A 1 457 ? 8.218 15.001 -5.075 1.00 63.11 ? 455 ASN A CA 1 ATOM 3587 C C . ASN A 1 457 ? 8.123 14.673 -6.579 1.00 57.79 ? 455 ASN A C 1 ATOM 3588 O O . ASN A 1 457 ? 9.145 14.374 -7.205 1.00 65.81 ? 455 ASN A O 1 ATOM 3589 C CB . ASN A 1 457 ? 9.351 14.156 -4.458 1.00 67.38 ? 455 ASN A CB 1 ATOM 3590 C CG . ASN A 1 457 ? 9.673 14.550 -3.033 1.00 78.51 ? 455 ASN A CG 1 ATOM 3591 O OD1 . ASN A 1 457 ? 9.021 15.420 -2.454 1.00 79.15 ? 455 ASN A OD1 1 ATOM 3592 N ND2 . ASN A 1 457 ? 10.675 13.895 -2.450 1.00 83.86 ? 455 ASN A ND2 1 ATOM 3593 N N . TYR A 1 458 ? 6.925 14.708 -7.163 1.00 49.01 ? 456 TYR A N 1 ATOM 3594 C CA . TYR A 1 458 ? 6.806 14.648 -8.627 1.00 45.42 ? 456 TYR A CA 1 ATOM 3595 C C . TYR A 1 458 ? 7.099 16.040 -9.202 1.00 47.08 ? 456 TYR A C 1 ATOM 3596 O O . TYR A 1 458 ? 7.052 17.034 -8.481 1.00 42.68 ? 456 TYR A O 1 ATOM 3597 C CB . TYR A 1 458 ? 5.412 14.191 -9.062 1.00 39.67 ? 456 TYR A CB 1 ATOM 3598 C CG . TYR A 1 458 ? 5.104 12.721 -8.834 1.00 42.48 ? 456 TYR A CG 1 ATOM 3599 C CD1 . TYR A 1 458 ? 5.494 11.752 -9.757 1.00 39.31 ? 456 TYR A CD1 1 ATOM 3600 C CD2 . TYR A 1 458 ? 4.404 12.302 -7.706 1.00 44.26 ? 456 TYR A CD2 1 ATOM 3601 C CE1 . TYR A 1 458 ? 5.206 10.412 -9.552 1.00 39.44 ? 456 TYR A CE1 1 ATOM 3602 C CE2 . TYR A 1 458 ? 4.107 10.961 -7.502 1.00 45.11 ? 456 TYR A CE2 1 ATOM 3603 C CZ . TYR A 1 458 ? 4.511 10.027 -8.424 1.00 45.58 ? 456 TYR A CZ 1 ATOM 3604 O OH . TYR A 1 458 ? 4.220 8.706 -8.214 1.00 52.02 ? 456 TYR A OH 1 ATOM 3605 N N . THR A 1 459 ? 7.407 16.132 -10.489 1.00 47.65 ? 457 THR A N 1 ATOM 3606 C CA . THR A 1 459 ? 7.602 17.456 -11.079 1.00 43.25 ? 457 THR A CA 1 ATOM 3607 C C . THR A 1 459 ? 6.260 18.072 -11.409 1.00 42.03 ? 457 THR A C 1 ATOM 3608 O O . THR A 1 459 ? 5.261 17.357 -11.574 1.00 44.09 ? 457 THR A O 1 ATOM 3609 C CB . THR A 1 459 ? 8.416 17.401 -12.373 1.00 37.06 ? 457 THR A CB 1 ATOM 3610 O OG1 . THR A 1 459 ? 7.655 16.728 -13.388 1.00 35.87 ? 457 THR A OG1 1 ATOM 3611 C CG2 . THR A 1 459 ? 9.711 16.662 -12.140 1.00 38.96 ? 457 THR A CG2 1 ATOM 3612 N N . LYS A 1 460 ? 6.256 19.395 -11.517 1.00 41.81 ? 458 LYS A N 1 ATOM 3613 C CA . LYS A 1 460 ? 5.097 20.167 -11.961 1.00 39.98 ? 458 LYS A CA 1 ATOM 3614 C C . LYS A 1 460 ? 4.534 19.605 -13.256 1.00 41.46 ? 458 LYS A C 1 ATOM 3615 O O . LYS A 1 460 ? 3.319 19.428 -13.413 1.00 48.66 ? 458 LYS A O 1 ATOM 3616 C CB . LYS A 1 460 ? 5.496 21.631 -12.179 1.00 38.10 ? 458 LYS A CB 1 ATOM 3617 C CG . LYS A 1 460 ? 4.328 22.520 -12.526 1.00 47.15 ? 458 LYS A CG 1 ATOM 3618 C CD . LYS A 1 460 ? 3.354 22.623 -11.367 1.00 54.80 ? 458 LYS A CD 1 ATOM 3619 C CE . LYS A 1 460 ? 2.090 23.376 -11.766 1.00 63.74 ? 458 LYS A CE 1 ATOM 3620 N NZ . LYS A 1 460 ? 1.007 23.273 -10.741 1.00 65.26 ? 458 LYS A NZ 1 ATOM 3621 N N . ALA A 1 461 ? 5.438 19.307 -14.177 1.00 33.87 ? 459 ALA A N 1 ATOM 3622 C CA . ALA A 1 461 ? 5.072 18.726 -15.460 1.00 40.94 ? 459 ALA A CA 1 ATOM 3623 C C . ALA A 1 461 ? 4.361 17.370 -15.299 1.00 45.58 ? 459 ALA A C 1 ATOM 3624 O O . ALA A 1 461 ? 3.466 17.034 -16.084 1.00 47.91 ? 459 ALA A O 1 ATOM 3625 C CB . ALA A 1 461 ? 6.305 18.601 -16.358 1.00 29.85 ? 459 ALA A CB 1 ATOM 3626 N N . GLU A 1 462 ? 4.754 16.598 -14.286 1.00 39.68 ? 460 GLU A N 1 ATOM 3627 C CA . GLU A 1 462 ? 4.105 15.311 -14.045 1.00 41.24 ? 460 GLU A CA 1 ATOM 3628 C C . GLU A 1 462 ? 2.744 15.513 -13.429 1.00 37.50 ? 460 GLU A C 1 ATOM 3629 O O . GLU A 1 462 ? 1.808 14.786 -13.733 1.00 42.61 ? 460 GLU A O 1 ATOM 3630 C CB . GLU A 1 462 ? 4.964 14.397 -13.181 1.00 38.93 ? 460 GLU A CB 1 ATOM 3631 C CG . GLU A 1 462 ? 6.082 13.779 -13.971 1.00 35.04 ? 460 GLU A CG 1 ATOM 3632 C CD . GLU A 1 462 ? 7.137 13.146 -13.105 1.00 40.86 ? 460 GLU A CD 1 ATOM 3633 O OE1 . GLU A 1 462 ? 7.430 13.700 -12.016 1.00 43.48 ? 460 GLU A OE1 1 ATOM 3634 O OE2 . GLU A 1 462 ? 7.664 12.090 -13.516 1.00 42.02 ? 460 GLU A OE2 1 ATOM 3635 N N . GLU A 1 463 ? 2.628 16.525 -12.586 1.00 31.77 ? 461 GLU A N 1 ATOM 3636 C CA . GLU A 1 463 ? 1.315 16.897 -12.094 1.00 38.12 ? 461 GLU A CA 1 ATOM 3637 C C . GLU A 1 463 ? 0.382 17.311 -13.238 1.00 38.20 ? 461 GLU A C 1 ATOM 3638 O O . GLU A 1 463 ? -0.763 16.878 -13.293 1.00 41.78 ? 461 GLU A O 1 ATOM 3639 C CB . GLU A 1 463 ? 1.402 18.005 -11.039 1.00 34.92 ? 461 GLU A CB 1 ATOM 3640 C CG . GLU A 1 463 ? 0.055 18.316 -10.407 1.00 49.86 ? 461 GLU A CG 1 ATOM 3641 C CD . GLU A 1 463 ? -0.071 19.764 -9.950 1.00 69.21 ? 461 GLU A CD 1 ATOM 3642 O OE1 . GLU A 1 463 ? 0.794 20.239 -9.176 1.00 68.92 ? 461 GLU A OE1 1 ATOM 3643 O OE2 . GLU A 1 463 ? -1.051 20.421 -10.365 1.00 78.54 ? 461 GLU A OE2 1 ATOM 3644 N N . ILE A 1 464 ? 0.867 18.152 -14.148 1.00 44.40 ? 462 ILE A N 1 ATOM 3645 C CA . ILE A 1 464 ? 0.032 18.599 -15.263 1.00 47.98 ? 462 ILE A CA 1 ATOM 3646 C C . ILE A 1 464 ? -0.435 17.413 -16.120 1.00 43.04 ? 462 ILE A C 1 ATOM 3647 O O . ILE A 1 464 ? -1.626 17.285 -16.435 1.00 42.33 ? 462 ILE A O 1 ATOM 3648 C CB . ILE A 1 464 ? 0.747 19.654 -16.137 1.00 52.88 ? 462 ILE A CB 1 ATOM 3649 C CG1 . ILE A 1 464 ? 0.986 20.937 -15.337 1.00 58.83 ? 462 ILE A CG1 1 ATOM 3650 C CG2 . ILE A 1 464 ? -0.071 19.968 -17.360 1.00 44.32 ? 462 ILE A CG2 1 ATOM 3651 C CD1 . ILE A 1 464 ? -0.268 21.459 -14.663 1.00 70.06 ? 462 ILE A CD1 1 ATOM 3652 N N . LEU A 1 465 ? 0.504 16.537 -16.460 1.00 35.99 ? 463 LEU A N 1 ATOM 3653 C CA . LEU A 1 465 ? 0.193 15.321 -17.204 1.00 36.50 ? 463 LEU A CA 1 ATOM 3654 C C . LEU A 1 465 ? -0.860 14.460 -16.500 1.00 40.63 ? 463 LEU A C 1 ATOM 3655 O O . LEU A 1 465 ? -1.801 13.985 -17.133 1.00 41.38 ? 463 LEU A O 1 ATOM 3656 C CB . LEU A 1 465 ? 1.461 14.501 -17.445 1.00 30.11 ? 463 LEU A CB 1 ATOM 3657 C CG . LEU A 1 465 ? 1.270 13.178 -18.194 1.00 35.82 ? 463 LEU A CG 1 ATOM 3658 C CD1 . LEU A 1 465 ? 0.603 13.415 -19.549 1.00 27.78 ? 463 LEU A CD1 1 ATOM 3659 C CD2 . LEU A 1 465 ? 2.605 12.467 -18.364 1.00 31.49 ? 463 LEU A CD2 1 ATOM 3660 N N . SER A 1 466 ? -0.697 14.260 -15.193 1.00 42.69 ? 464 SER A N 1 ATOM 3661 C CA . SER A 1 466 ? -1.593 13.393 -14.438 1.00 34.89 ? 464 SER A CA 1 ATOM 3662 C C . SER A 1 466 ? -2.978 14.024 -14.319 1.00 41.25 ? 464 SER A C 1 ATOM 3663 O O . SER A 1 466 ? -3.990 13.341 -14.467 1.00 40.25 ? 464 SER A O 1 ATOM 3664 C CB . SER A 1 466 ? -1.016 13.085 -13.060 1.00 33.01 ? 464 SER A CB 1 ATOM 3665 O OG . SER A 1 466 ? -1.924 12.319 -12.284 1.00 32.98 ? 464 SER A OG 1 ATOM 3666 N N . ARG A 1 467 ? -3.010 15.330 -14.056 1.00 36.68 ? 465 ARG A N 1 ATOM 3667 C CA A ARG A 1 467 ? -4.269 16.073 -14.001 0.47 37.89 ? 465 ARG A CA 1 ATOM 3668 C CA B ARG A 1 467 ? -4.258 16.082 -13.998 0.53 37.97 ? 465 ARG A CA 1 ATOM 3669 C C . ARG A 1 467 ? -5.053 15.910 -15.300 1.00 41.59 ? 465 ARG A C 1 ATOM 3670 O O . ARG A 1 467 ? -6.281 15.821 -15.294 1.00 51.51 ? 465 ARG A O 1 ATOM 3671 C CB A ARG A 1 467 ? -4.015 17.558 -13.741 0.47 35.97 ? 465 ARG A CB 1 ATOM 3672 C CB B ARG A 1 467 ? -3.955 17.560 -13.736 0.53 35.68 ? 465 ARG A CB 1 ATOM 3673 C CG A ARG A 1 467 ? -5.288 18.387 -13.575 0.47 37.08 ? 465 ARG A CG 1 ATOM 3674 C CG B ARG A 1 467 ? -5.052 18.309 -12.995 0.53 37.94 ? 465 ARG A CG 1 ATOM 3675 C CD A ARG A 1 467 ? -5.906 18.182 -12.193 0.47 39.45 ? 465 ARG A CD 1 ATOM 3676 C CD B ARG A 1 467 ? -4.595 19.693 -12.484 0.53 37.61 ? 465 ARG A CD 1 ATOM 3677 N NE A ARG A 1 467 ? -7.234 18.786 -12.066 0.47 28.11 ? 465 ARG A NE 1 ATOM 3678 N NE B ARG A 1 467 ? -4.184 19.700 -11.077 0.53 30.15 ? 465 ARG A NE 1 ATOM 3679 C CZ A ARG A 1 467 ? -8.346 18.244 -12.548 0.47 29.32 ? 465 ARG A CZ 1 ATOM 3680 C CZ B ARG A 1 467 ? -5.006 19.483 -10.050 0.53 35.08 ? 465 ARG A CZ 1 ATOM 3681 N NH1 A ARG A 1 467 ? -8.301 17.074 -13.204 0.47 22.37 ? 465 ARG A NH1 1 ATOM 3682 N NH1 B ARG A 1 467 ? -6.288 19.216 -10.259 0.53 32.65 ? 465 ARG A NH1 1 ATOM 3683 N NH2 A ARG A 1 467 ? -9.502 18.868 -12.368 0.47 27.57 ? 465 ARG A NH2 1 ATOM 3684 N NH2 B ARG A 1 467 ? -4.550 19.522 -8.807 0.53 35.12 ? 465 ARG A NH2 1 ATOM 3685 N N . SER A 1 468 ? -4.328 15.849 -16.406 1.00 36.34 ? 466 SER A N 1 ATOM 3686 C CA . SER A 1 468 ? -4.906 15.717 -17.735 1.00 37.93 ? 466 SER A CA 1 ATOM 3687 C C . SER A 1 468 ? -5.406 14.288 -18.045 1.00 40.82 ? 466 SER A C 1 ATOM 3688 O O . SER A 1 468 ? -6.470 14.106 -18.640 1.00 33.81 ? 466 SER A O 1 ATOM 3689 C CB . SER A 1 468 ? -3.873 16.184 -18.765 1.00 31.27 ? 466 SER A CB 1 ATOM 3690 O OG . SER A 1 468 ? -4.427 16.225 -20.052 1.00 51.31 ? 466 SER A OG 1 ATOM 3691 N N . ILE A 1 469 ? -4.635 13.282 -17.632 1.00 35.22 ? 467 ILE A N 1 ATOM 3692 C CA . ILE A 1 469 ? -5.027 11.883 -17.778 1.00 30.07 ? 467 ILE A CA 1 ATOM 3693 C C . ILE A 1 469 ? -6.238 11.560 -16.874 1.00 35.57 ? 467 ILE A C 1 ATOM 3694 O O . ILE A 1 469 ? -7.160 10.842 -17.267 1.00 31.15 ? 467 ILE A O 1 ATOM 3695 C CB . ILE A 1 469 ? -3.823 10.974 -17.440 1.00 33.27 ? 467 ILE A CB 1 ATOM 3696 C CG1 . ILE A 1 469 ? -2.828 10.989 -18.602 1.00 28.72 ? 467 ILE A CG1 1 ATOM 3697 C CG2 . ILE A 1 469 ? -4.276 9.549 -17.079 1.00 23.31 ? 467 ILE A CG2 1 ATOM 3698 C CD1 . ILE A 1 469 ? -1.420 10.623 -18.216 1.00 35.13 ? 467 ILE A CD1 1 ATOM 3699 N N . VAL A 1 470 ? -6.236 12.120 -15.669 1.00 36.73 ? 468 VAL A N 1 ATOM 3700 C CA . VAL A 1 470 ? -7.357 11.966 -14.745 1.00 40.45 ? 468 VAL A CA 1 ATOM 3701 C C . VAL A 1 470 ? -8.648 12.566 -15.325 1.00 38.56 ? 468 VAL A C 1 ATOM 3702 O O . VAL A 1 470 ? -9.730 11.960 -15.254 1.00 33.34 ? 468 VAL A O 1 ATOM 3703 C CB . VAL A 1 470 ? -7.032 12.589 -13.370 1.00 37.68 ? 468 VAL A CB 1 ATOM 3704 C CG1 . VAL A 1 470 ? -8.279 12.769 -12.560 1.00 33.56 ? 468 VAL A CG1 1 ATOM 3705 C CG2 . VAL A 1 470 ? -6.035 11.721 -12.630 1.00 34.70 ? 468 VAL A CG2 1 ATOM 3706 N N . LYS A 1 471 ? -8.521 13.735 -15.941 1.00 35.22 ? 469 LYS A N 1 ATOM 3707 C CA . LYS A 1 471 ? -9.664 14.384 -16.577 1.00 30.28 ? 469 LYS A CA 1 ATOM 3708 C C . LYS A 1 471 ? -10.203 13.535 -17.748 1.00 36.68 ? 469 LYS A C 1 ATOM 3709 O O . LYS A 1 471 ? -11.411 13.292 -17.850 1.00 39.58 ? 469 LYS A O 1 ATOM 3710 C CB . LYS A 1 471 ? -9.280 15.807 -17.032 1.00 27.93 ? 469 LYS A CB 1 ATOM 3711 C CG . LYS A 1 471 ? -10.379 16.582 -17.707 1.00 35.45 ? 469 LYS A CG 1 ATOM 3712 C CD . LYS A 1 471 ? -11.514 16.880 -16.748 1.00 51.85 ? 469 LYS A CD 1 ATOM 3713 C CE . LYS A 1 471 ? -11.137 17.940 -15.705 1.00 57.37 ? 469 LYS A CE 1 ATOM 3714 N NZ . LYS A 1 471 ? -12.116 18.013 -14.550 1.00 51.80 ? 469 LYS A NZ 1 ATOM 3715 N N . ARG A 1 472 ? -9.315 13.063 -18.618 1.00 37.15 ? 470 ARG A N 1 ATOM 3716 C CA . ARG A 1 472 ? -9.758 12.297 -19.793 1.00 32.91 ? 470 ARG A CA 1 ATOM 3717 C C . ARG A 1 472 ? -10.385 10.924 -19.420 1.00 34.26 ? 470 ARG A C 1 ATOM 3718 O O . ARG A 1 472 ? -11.391 10.534 -19.995 1.00 37.75 ? 470 ARG A O 1 ATOM 3719 C CB . ARG A 1 472 ? -8.631 12.119 -20.823 1.00 27.14 ? 470 ARG A CB 1 ATOM 3720 C CG . ARG A 1 472 ? -7.989 13.400 -21.385 1.00 31.39 ? 470 ARG A CG 1 ATOM 3721 C CD . ARG A 1 472 ? -6.931 13.060 -22.477 1.00 36.27 ? 470 ARG A CD 1 ATOM 3722 N NE . ARG A 1 472 ? -6.447 14.218 -23.240 1.00 36.35 ? 470 ARG A NE 1 ATOM 3723 C CZ . ARG A 1 472 ? -7.034 14.712 -24.331 1.00 37.55 ? 470 ARG A CZ 1 ATOM 3724 N NH1 . ARG A 1 472 ? -8.140 14.150 -24.798 1.00 37.88 ? 470 ARG A NH1 1 ATOM 3725 N NH2 . ARG A 1 472 ? -6.523 15.775 -24.956 1.00 29.05 ? 470 ARG A NH2 1 ATOM 3726 N N . TRP A 1 473 ? -9.790 10.200 -18.474 1.00 28.55 ? 471 TRP A N 1 ATOM 3727 C CA . TRP A 1 473 ? -10.386 8.956 -17.979 1.00 29.12 ? 471 TRP A CA 1 ATOM 3728 C C . TRP A 1 473 ? -11.771 9.243 -17.401 1.00 33.77 ? 471 TRP A C 1 ATOM 3729 O O . TRP A 1 473 ? -12.756 8.585 -17.750 1.00 33.76 ? 471 TRP A O 1 ATOM 3730 C CB . TRP A 1 473 ? -9.499 8.299 -16.911 1.00 25.60 ? 471 TRP A CB 1 ATOM 3731 C CG . TRP A 1 473 ? -8.517 7.260 -17.407 1.00 24.76 ? 471 TRP A CG 1 ATOM 3732 C CD1 . TRP A 1 473 ? -8.340 5.991 -16.901 1.00 37.81 ? 471 TRP A CD1 1 ATOM 3733 C CD2 . TRP A 1 473 ? -7.572 7.390 -18.475 1.00 28.20 ? 471 TRP A CD2 1 ATOM 3734 N NE1 . TRP A 1 473 ? -7.363 5.323 -17.601 1.00 32.15 ? 471 TRP A NE1 1 ATOM 3735 C CE2 . TRP A 1 473 ? -6.872 6.156 -18.572 1.00 34.24 ? 471 TRP A CE2 1 ATOM 3736 C CE3 . TRP A 1 473 ? -7.265 8.410 -19.383 1.00 32.25 ? 471 TRP A CE3 1 ATOM 3737 C CZ2 . TRP A 1 473 ? -5.883 5.928 -19.529 1.00 28.68 ? 471 TRP A CZ2 1 ATOM 3738 C CZ3 . TRP A 1 473 ? -6.275 8.178 -20.336 1.00 28.82 ? 471 TRP A CZ3 1 ATOM 3739 C CH2 . TRP A 1 473 ? -5.592 6.953 -20.391 1.00 30.97 ? 471 TRP A CH2 1 ATOM 3740 N N . ALA A 1 474 ? -11.850 10.234 -16.519 1.00 34.16 ? 472 ALA A N 1 ATOM 3741 C CA . ALA A 1 474 ? -13.124 10.583 -15.908 1.00 35.69 ? 472 ALA A CA 1 ATOM 3742 C C . ALA A 1 474 ? -14.172 11.028 -16.948 1.00 37.39 ? 472 ALA A C 1 ATOM 3743 O O . ALA A 1 474 ? -15.331 10.603 -16.896 1.00 33.80 ? 472 ALA A O 1 ATOM 3744 C CB . ALA A 1 474 ? -12.925 11.635 -14.840 1.00 31.27 ? 472 ALA A CB 1 ATOM 3745 N N . ASN A 1 475 ? -13.759 11.872 -17.892 1.00 32.82 ? 473 ASN A N 1 ATOM 3746 C CA . ASN A 1 475 ? -14.623 12.225 -19.023 1.00 31.58 ? 473 ASN A CA 1 ATOM 3747 C C . ASN A 1 475 ? -15.050 11.017 -19.869 1.00 35.35 ? 473 ASN A C 1 ATOM 3748 O O . ASN A 1 475 ? -16.202 10.921 -20.287 1.00 40.24 ? 473 ASN A O 1 ATOM 3749 C CB . ASN A 1 475 ? -13.982 13.311 -19.903 1.00 32.27 ? 473 ASN A CB 1 ATOM 3750 C CG . ASN A 1 475 ? -13.971 14.694 -19.221 1.00 41.29 ? 473 ASN A CG 1 ATOM 3751 O OD1 . ASN A 1 475 ? -14.623 14.893 -18.196 1.00 34.06 ? 473 ASN A OD1 1 ATOM 3752 N ND2 . ASN A 1 475 ? -13.230 15.643 -19.795 1.00 41.25 ? 473 ASN A ND2 1 ATOM 3753 N N . PHE A 1 476 ? -14.127 10.092 -20.119 1.00 37.92 ? 474 PHE A N 1 ATOM 3754 C CA . PHE A 1 476 ? -14.492 8.883 -20.829 1.00 29.93 ? 474 PHE A CA 1 ATOM 3755 C C . PHE A 1 476 ? -15.561 8.090 -20.077 1.00 32.56 ? 474 PHE A C 1 ATOM 3756 O O . PHE A 1 476 ? -16.517 7.593 -20.676 1.00 26.53 ? 474 PHE A O 1 ATOM 3757 C CB . PHE A 1 476 ? -13.291 7.990 -21.110 1.00 25.61 ? 474 PHE A CB 1 ATOM 3758 C CG . PHE A 1 476 ? -13.665 6.747 -21.843 1.00 33.50 ? 474 PHE A CG 1 ATOM 3759 C CD1 . PHE A 1 476 ? -13.969 6.800 -23.189 1.00 35.66 ? 474 PHE A CD1 1 ATOM 3760 C CD2 . PHE A 1 476 ? -13.782 5.534 -21.179 1.00 34.61 ? 474 PHE A CD2 1 ATOM 3761 C CE1 . PHE A 1 476 ? -14.347 5.654 -23.876 1.00 35.15 ? 474 PHE A CE1 1 ATOM 3762 C CE2 . PHE A 1 476 ? -14.175 4.388 -21.863 1.00 25.08 ? 474 PHE A CE2 1 ATOM 3763 C CZ . PHE A 1 476 ? -14.452 4.455 -23.204 1.00 24.73 ? 474 PHE A CZ 1 ATOM 3764 N N . ALA A 1 477 ? -15.391 7.982 -18.763 1.00 33.16 ? 475 ALA A N 1 ATOM 3765 C CA . ALA A 1 477 ? -16.313 7.220 -17.932 1.00 31.68 ? 475 ALA A CA 1 ATOM 3766 C C . ALA A 1 477 ? -17.695 7.851 -17.989 1.00 33.77 ? 475 ALA A C 1 ATOM 3767 O O . ALA A 1 477 ? -18.681 7.176 -18.274 1.00 36.89 ? 475 ALA A O 1 ATOM 3768 C CB . ALA A 1 477 ? -15.807 7.151 -16.478 1.00 28.29 ? 475 ALA A CB 1 ATOM 3769 N N . LYS A 1 478 ? -17.741 9.156 -17.734 1.00 33.22 ? 476 LYS A N 1 ATOM 3770 C CA . LYS A 1 478 ? -18.975 9.933 -17.741 1.00 35.96 ? 476 LYS A CA 1 ATOM 3771 C C . LYS A 1 478 ? -19.653 10.037 -19.113 1.00 38.66 ? 476 LYS A C 1 ATOM 3772 O O . LYS A 1 478 ? -20.873 9.929 -19.202 1.00 42.17 ? 476 LYS A O 1 ATOM 3773 C CB . LYS A 1 478 ? -18.710 11.343 -17.209 1.00 38.31 ? 476 LYS A CB 1 ATOM 3774 C CG . LYS A 1 478 ? -18.342 11.419 -15.734 1.00 39.82 ? 476 LYS A CG 1 ATOM 3775 C CD . LYS A 1 478 ? -17.872 12.837 -15.355 1.00 43.40 ? 476 LYS A CD 1 ATOM 3776 C CE . LYS A 1 478 ? -17.452 12.912 -13.885 1.00 39.71 ? 476 LYS A CE 1 ATOM 3777 N NZ . LYS A 1 478 ? -16.655 14.129 -13.570 1.00 46.08 ? 476 LYS A NZ 1 ATOM 3778 N N . TYR A 1 479 ? -18.877 10.241 -20.177 1.00 38.55 ? 477 TYR A N 1 ATOM 3779 C CA . TYR A 1 479 ? -19.465 10.594 -21.478 1.00 39.53 ? 477 TYR A CA 1 ATOM 3780 C C . TYR A 1 479 ? -19.154 9.658 -22.656 1.00 44.03 ? 477 TYR A C 1 ATOM 3781 O O . TYR A 1 479 ? -19.718 9.841 -23.738 1.00 47.12 ? 477 TYR A O 1 ATOM 3782 C CB . TYR A 1 479 ? -19.075 12.026 -21.888 1.00 33.48 ? 477 TYR A CB 1 ATOM 3783 C CG . TYR A 1 479 ? -19.220 13.069 -20.801 1.00 37.73 ? 477 TYR A CG 1 ATOM 3784 C CD1 . TYR A 1 479 ? -20.467 13.420 -20.308 1.00 41.23 ? 477 TYR A CD1 1 ATOM 3785 C CD2 . TYR A 1 479 ? -18.109 13.722 -20.288 1.00 39.55 ? 477 TYR A CD2 1 ATOM 3786 C CE1 . TYR A 1 479 ? -20.603 14.374 -19.319 1.00 43.73 ? 477 TYR A CE1 1 ATOM 3787 C CE2 . TYR A 1 479 ? -18.232 14.675 -19.295 1.00 37.31 ? 477 TYR A CE2 1 ATOM 3788 C CZ . TYR A 1 479 ? -19.483 15.001 -18.813 1.00 48.52 ? 477 TYR A CZ 1 ATOM 3789 O OH . TYR A 1 479 ? -19.620 15.952 -17.819 1.00 57.43 ? 477 TYR A OH 1 ATOM 3790 N N . GLY A 1 480 ? -18.260 8.686 -22.470 1.00 38.73 ? 478 GLY A N 1 ATOM 3791 C CA . GLY A 1 480 ? -17.856 7.806 -23.570 1.00 33.96 ? 478 GLY A CA 1 ATOM 3792 C C . GLY A 1 480 ? -16.878 8.465 -24.538 1.00 41.96 ? 478 GLY A C 1 ATOM 3793 O O . GLY A 1 480 ? -16.560 7.934 -25.609 1.00 42.89 ? 478 GLY A O 1 ATOM 3794 N N . ASN A 1 481 ? -16.398 9.636 -24.136 1.00 38.57 ? 479 ASN A N 1 ATOM 3795 C CA . ASN A 1 481 ? -15.503 10.444 -24.928 1.00 39.71 ? 479 ASN A CA 1 ATOM 3796 C C . ASN A 1 481 ? -14.408 10.924 -23.977 1.00 41.88 ? 479 ASN A C 1 ATOM 3797 O O . ASN A 1 481 ? -14.694 11.570 -22.980 1.00 45.39 ? 479 ASN A O 1 ATOM 3798 C CB . ASN A 1 481 ? -16.315 11.608 -25.503 1.00 48.68 ? 479 ASN A CB 1 ATOM 3799 C CG . ASN A 1 481 ? -15.488 12.581 -26.301 1.00 52.58 ? 479 ASN A CG 1 ATOM 3800 O OD1 . ASN A 1 481 ? -14.355 12.300 -26.689 1.00 56.50 ? 479 ASN A OD1 1 ATOM 3801 N ND2 . ASN A 1 481 ? -16.062 13.749 -26.556 1.00 61.64 ? 479 ASN A ND2 1 ATOM 3802 N N . PRO A 1 482 ? -13.147 10.579 -24.258 1.00 36.32 ? 480 PRO A N 1 ATOM 3803 C CA . PRO A 1 482 ? -12.085 10.953 -23.324 1.00 28.10 ? 480 PRO A CA 1 ATOM 3804 C C . PRO A 1 482 ? -11.574 12.353 -23.653 1.00 39.88 ? 480 PRO A C 1 ATOM 3805 O O . PRO A 1 482 ? -10.377 12.528 -23.898 1.00 36.41 ? 480 PRO A O 1 ATOM 3806 C CB . PRO A 1 482 ? -11.003 9.927 -23.623 1.00 22.85 ? 480 PRO A CB 1 ATOM 3807 C CG . PRO A 1 482 ? -11.149 9.681 -25.088 1.00 27.37 ? 480 PRO A CG 1 ATOM 3808 C CD . PRO A 1 482 ? -12.614 9.897 -25.446 1.00 30.51 ? 480 PRO A CD 1 ATOM 3809 N N . ASN A 1 483 ? -12.482 13.328 -23.687 1.00 41.01 ? 481 ASN A N 1 ATOM 3810 C CA . ASN A 1 483 ? -12.102 14.727 -23.878 1.00 48.50 ? 481 ASN A CA 1 ATOM 3811 C C . ASN A 1 483 ? -11.503 15.357 -22.614 1.00 52.25 ? 481 ASN A C 1 ATOM 3812 O O . ASN A 1 483 ? -11.615 14.811 -21.504 1.00 50.87 ? 481 ASN A O 1 ATOM 3813 C CB . ASN A 1 483 ? -13.271 15.585 -24.424 1.00 51.18 ? 481 ASN A CB 1 ATOM 3814 C CG . ASN A 1 483 ? -14.526 15.568 -23.524 1.00 53.76 ? 481 ASN A CG 1 ATOM 3815 O OD1 . ASN A 1 483 ? -14.807 14.584 -22.839 1.00 55.85 ? 481 ASN A OD1 1 ATOM 3816 N ND2 . ASN A 1 483 ? -15.298 16.664 -23.566 1.00 67.54 ? 481 ASN A ND2 1 ATOM 3817 N N . GLU A 1 484 ? -10.851 16.499 -22.792 1.00 43.94 ? 482 GLU A N 1 ATOM 3818 C CA . GLU A 1 484 ? -10.307 17.221 -21.665 1.00 49.41 ? 482 GLU A CA 1 ATOM 3819 C C . GLU A 1 484 ? -11.133 18.461 -21.508 1.00 52.77 ? 482 GLU A C 1 ATOM 3820 O O . GLU A 1 484 ? -11.960 18.580 -20.599 1.00 57.99 ? 482 GLU A O 1 ATOM 3821 C CB . GLU A 1 484 ? -8.857 17.599 -21.921 1.00 59.73 ? 482 GLU A CB 1 ATOM 3822 C CG . GLU A 1 484 ? -8.207 18.299 -20.750 1.00 66.86 ? 482 GLU A CG 1 ATOM 3823 C CD . GLU A 1 484 ? -6.704 18.184 -20.786 1.00 75.18 ? 482 GLU A CD 1 ATOM 3824 O OE1 . GLU A 1 484 ? -6.159 17.893 -21.878 1.00 76.58 ? 482 GLU A OE1 1 ATOM 3825 O OE2 . GLU A 1 484 ? -6.074 18.379 -19.721 1.00 76.40 ? 482 GLU A OE2 1 ATOM 3826 N N . THR A 1 485 ? -10.900 19.393 -22.415 1.00 49.83 ? 483 THR A N 1 ATOM 3827 C CA . THR A 1 485 ? -11.762 20.549 -22.532 1.00 61.04 ? 483 THR A CA 1 ATOM 3828 C C . THR A 1 485 ? -12.096 20.747 -23.998 1.00 56.57 ? 483 THR A C 1 ATOM 3829 O O . THR A 1 485 ? -11.412 20.222 -24.879 1.00 51.84 ? 483 THR A O 1 ATOM 3830 C CB . THR A 1 485 ? -11.131 21.836 -21.909 1.00 64.38 ? 483 THR A CB 1 ATOM 3831 O OG1 . THR A 1 485 ? -9.728 21.902 -22.209 1.00 73.04 ? 483 THR A OG1 1 ATOM 3832 C CG2 . THR A 1 485 ? -11.303 21.826 -20.403 1.00 51.77 ? 483 THR A CG2 1 ATOM 3833 N N . GLN A 1 486 ? -13.189 21.447 -24.253 1.00 56.47 ? 484 GLN A N 1 ATOM 3834 C CA . GLN A 1 486 ? -13.414 22.014 -25.565 1.00 64.10 ? 484 GLN A CA 1 ATOM 3835 C C . GLN A 1 486 ? -12.587 23.285 -25.447 1.00 77.83 ? 484 GLN A C 1 ATOM 3836 O O . GLN A 1 486 ? -12.653 23.955 -24.409 1.00 90.73 ? 484 GLN A O 1 ATOM 3837 C CB . GLN A 1 486 ? -14.905 22.322 -25.758 1.00 60.36 ? 484 GLN A CB 1 ATOM 3838 C CG . GLN A 1 486 ? -15.308 22.768 -27.170 1.00 60.64 ? 484 GLN A CG 1 ATOM 3839 C CD . GLN A 1 486 ? -16.723 23.353 -27.240 1.00 54.96 ? 484 GLN A CD 1 ATOM 3840 O OE1 . GLN A 1 486 ? -17.706 22.723 -26.831 1.00 55.77 ? 484 GLN A OE1 1 ATOM 3841 N NE2 . GLN A 1 486 ? -16.823 24.565 -27.750 1.00 42.72 ? 484 GLN A NE2 1 ATOM 3842 N N . ASN A 1 487 ? -11.779 23.584 -26.463 1.00 70.98 ? 485 ASN A N 1 ATOM 3843 C CA . ASN A 1 487 ? -10.857 24.740 -26.449 1.00 72.19 ? 485 ASN A CA 1 ATOM 3844 C C . ASN A 1 487 ? -9.522 24.500 -25.715 1.00 67.62 ? 485 ASN A C 1 ATOM 3845 O O . ASN A 1 487 ? -9.482 23.964 -24.603 1.00 69.45 ? 485 ASN A O 1 ATOM 3846 C CB . ASN A 1 487 ? -11.529 26.049 -25.971 1.00 67.31 ? 485 ASN A CB 1 ATOM 3847 C CG . ASN A 1 487 ? -12.702 26.486 -26.862 1.00 73.03 ? 485 ASN A CG 1 ATOM 3848 O OD1 . ASN A 1 487 ? -13.011 25.855 -27.884 1.00 71.84 ? 485 ASN A OD1 1 ATOM 3849 N ND2 . ASN A 1 487 ? -13.363 27.573 -26.464 1.00 71.70 ? 485 ASN A ND2 1 ATOM 3850 N N . ASN A 1 488 ? -8.438 24.900 -26.372 1.00 63.90 ? 486 ASN A N 1 ATOM 3851 C CA . ASN A 1 488 ? -7.068 24.730 -25.886 1.00 64.53 ? 486 ASN A CA 1 ATOM 3852 C C . ASN A 1 488 ? -6.661 23.284 -25.599 1.00 57.82 ? 486 ASN A C 1 ATOM 3853 O O . ASN A 1 488 ? -5.694 23.024 -24.885 1.00 59.44 ? 486 ASN A O 1 ATOM 3854 C CB . ASN A 1 488 ? -6.786 25.630 -24.683 1.00 70.54 ? 486 ASN A CB 1 ATOM 3855 C CG . ASN A 1 488 ? -5.310 25.917 -24.514 1.00 82.09 ? 486 ASN A CG 1 ATOM 3856 O OD1 . ASN A 1 488 ? -4.505 25.596 -25.396 1.00 68.79 ? 486 ASN A OD1 1 ATOM 3857 N ND2 . ASN A 1 488 ? -4.944 26.523 -23.380 1.00 107.67 ? 486 ASN A ND2 1 ATOM 3858 N N . SER A 1 489 ? -7.382 22.338 -26.180 1.00 53.13 ? 487 SER A N 1 ATOM 3859 C CA . SER A 1 489 ? -7.081 20.936 -25.925 1.00 47.22 ? 487 SER A CA 1 ATOM 3860 C C . SER A 1 489 ? -6.884 20.164 -27.216 1.00 35.26 ? 487 SER A C 1 ATOM 3861 O O . SER A 1 489 ? -7.645 20.330 -28.165 1.00 37.35 ? 487 SER A O 1 ATOM 3862 C CB . SER A 1 489 ? -8.190 20.299 -25.092 1.00 55.03 ? 487 SER A CB 1 ATOM 3863 O OG . SER A 1 489 ? -7.809 19.007 -24.653 1.00 67.39 ? 487 SER A OG 1 ATOM 3864 N N . THR A 1 490 ? -5.846 19.340 -27.262 1.00 39.40 ? 488 THR A N 1 ATOM 3865 C CA . THR A 1 490 ? -5.677 18.411 -28.379 1.00 41.78 ? 488 THR A CA 1 ATOM 3866 C C . THR A 1 490 ? -6.795 17.366 -28.332 1.00 39.01 ? 488 THR A C 1 ATOM 3867 O O . THR A 1 490 ? -6.976 16.666 -27.333 1.00 38.83 ? 488 THR A O 1 ATOM 3868 C CB . THR A 1 490 ? -4.281 17.715 -28.378 1.00 56.56 ? 488 THR A CB 1 ATOM 3869 O OG1 . THR A 1 490 ? -3.278 18.648 -28.800 1.00 66.77 ? 488 THR A OG1 1 ATOM 3870 C CG2 . THR A 1 490 ? -4.261 16.526 -29.331 1.00 51.17 ? 488 THR A CG2 1 ATOM 3871 N N . SER A 1 491 ? -7.554 17.282 -29.414 1.00 33.24 ? 489 SER A N 1 ATOM 3872 C CA . SER A 1 491 ? -8.598 16.285 -29.511 1.00 40.37 ? 489 SER A CA 1 ATOM 3873 C C . SER A 1 491 ? -8.046 14.873 -29.756 1.00 35.26 ? 489 SER A C 1 ATOM 3874 O O . SER A 1 491 ? -7.127 14.655 -30.558 1.00 36.60 ? 489 SER A O 1 ATOM 3875 C CB . SER A 1 491 ? -9.558 16.638 -30.631 1.00 39.54 ? 489 SER A CB 1 ATOM 3876 O OG . SER A 1 491 ? -8.927 16.364 -31.849 1.00 47.77 ? 489 SER A OG 1 ATOM 3877 N N . TRP A 1 492 ? -8.654 13.923 -29.062 1.00 35.02 ? 490 TRP A N 1 ATOM 3878 C CA . TRP A 1 492 ? -8.346 12.501 -29.167 1.00 28.25 ? 490 TRP A CA 1 ATOM 3879 C C . TRP A 1 492 ? -9.343 11.878 -30.142 1.00 35.15 ? 490 TRP A C 1 ATOM 3880 O O . TRP A 1 492 ? -10.500 11.662 -29.790 1.00 51.27 ? 490 TRP A O 1 ATOM 3881 C CB . TRP A 1 492 ? -8.507 11.881 -27.777 1.00 22.66 ? 490 TRP A CB 1 ATOM 3882 C CG . TRP A 1 492 ? -7.953 10.517 -27.606 1.00 32.90 ? 490 TRP A CG 1 ATOM 3883 C CD1 . TRP A 1 492 ? -7.667 9.612 -28.586 1.00 30.11 ? 490 TRP A CD1 1 ATOM 3884 C CD2 . TRP A 1 492 ? -7.610 9.894 -26.371 1.00 33.47 ? 490 TRP A CD2 1 ATOM 3885 N NE1 . TRP A 1 492 ? -7.166 8.469 -28.040 1.00 32.87 ? 490 TRP A NE1 1 ATOM 3886 C CE2 . TRP A 1 492 ? -7.118 8.610 -26.677 1.00 35.99 ? 490 TRP A CE2 1 ATOM 3887 C CE3 . TRP A 1 492 ? -7.668 10.294 -25.032 1.00 33.70 ? 490 TRP A CE3 1 ATOM 3888 C CZ2 . TRP A 1 492 ? -6.680 7.724 -25.697 1.00 30.49 ? 490 TRP A CZ2 1 ATOM 3889 C CZ3 . TRP A 1 492 ? -7.244 9.412 -24.060 1.00 33.95 ? 490 TRP A CZ3 1 ATOM 3890 C CH2 . TRP A 1 492 ? -6.758 8.141 -24.396 1.00 33.03 ? 490 TRP A CH2 1 ATOM 3891 N N . PRO A 1 493 ? -8.904 11.599 -31.377 1.00 35.59 ? 491 PRO A N 1 ATOM 3892 C CA . PRO A 1 493 ? -9.801 11.022 -32.404 1.00 39.26 ? 491 PRO A CA 1 ATOM 3893 C C . PRO A 1 493 ? -10.071 9.516 -32.215 1.00 33.35 ? 491 PRO A C 1 ATOM 3894 O O . PRO A 1 493 ? -9.328 8.833 -31.497 1.00 28.77 ? 491 PRO A O 1 ATOM 3895 C CB . PRO A 1 493 ? -9.044 11.258 -33.716 1.00 22.82 ? 491 PRO A CB 1 ATOM 3896 C CG . PRO A 1 493 ? -7.592 11.289 -33.313 1.00 43.43 ? 491 PRO A CG 1 ATOM 3897 C CD . PRO A 1 493 ? -7.520 11.760 -31.861 1.00 33.28 ? 491 PRO A CD 1 ATOM 3898 N N . VAL A 1 494 ? -11.129 9.013 -32.848 1.00 30.54 ? 492 VAL A N 1 ATOM 3899 C CA . VAL A 1 494 ? -11.440 7.599 -32.748 1.00 28.68 ? 492 VAL A CA 1 ATOM 3900 C C . VAL A 1 494 ? -10.450 6.758 -33.509 1.00 37.52 ? 492 VAL A C 1 ATOM 3901 O O . VAL A 1 494 ? -9.855 7.203 -34.502 1.00 37.86 ? 492 VAL A O 1 ATOM 3902 C CB . VAL A 1 494 ? -12.857 7.231 -33.226 1.00 28.74 ? 492 VAL A CB 1 ATOM 3903 C CG1 . VAL A 1 494 ? -13.895 7.658 -32.202 1.00 35.18 ? 492 VAL A CG1 1 ATOM 3904 C CG2 . VAL A 1 494 ? -13.143 7.786 -34.609 1.00 28.82 ? 492 VAL A CG2 1 ATOM 3905 N N . PHE A 1 495 ? -10.280 5.538 -33.017 1.00 34.10 ? 493 PHE A N 1 ATOM 3906 C CA . PHE A 1 495 ? -9.444 4.537 -33.663 1.00 42.36 ? 493 PHE A CA 1 ATOM 3907 C C . PHE A 1 495 ? -10.283 3.795 -34.700 1.00 39.04 ? 493 PHE A C 1 ATOM 3908 O O . PHE A 1 495 ? -11.246 3.114 -34.366 1.00 45.97 ? 493 PHE A O 1 ATOM 3909 C CB . PHE A 1 495 ? -8.884 3.573 -32.610 1.00 33.68 ? 493 PHE A CB 1 ATOM 3910 C CG . PHE A 1 495 ? -7.853 2.613 -33.134 1.00 30.12 ? 493 PHE A CG 1 ATOM 3911 C CD1 . PHE A 1 495 ? -8.236 1.440 -33.771 1.00 33.55 ? 493 PHE A CD1 1 ATOM 3912 C CD2 . PHE A 1 495 ? -6.501 2.864 -32.948 1.00 34.39 ? 493 PHE A CD2 1 ATOM 3913 C CE1 . PHE A 1 495 ? -7.285 0.539 -34.232 1.00 36.67 ? 493 PHE A CE1 1 ATOM 3914 C CE2 . PHE A 1 495 ? -5.539 1.971 -33.408 1.00 36.99 ? 493 PHE A CE2 1 ATOM 3915 C CZ . PHE A 1 495 ? -5.928 0.812 -34.048 1.00 35.63 ? 493 PHE A CZ 1 ATOM 3916 N N . LYS A 1 496 ? -9.925 3.972 -35.960 1.00 37.20 ? 494 LYS A N 1 ATOM 3917 C CA . LYS A 1 496 ? -10.587 3.316 -37.078 1.00 39.21 ? 494 LYS A CA 1 ATOM 3918 C C . LYS A 1 496 ? -9.569 2.415 -37.757 1.00 44.67 ? 494 LYS A C 1 ATOM 3919 O O . LYS A 1 496 ? -8.391 2.763 -37.826 1.00 39.98 ? 494 LYS A O 1 ATOM 3920 C CB . LYS A 1 496 ? -11.080 4.371 -38.062 1.00 42.27 ? 494 LYS A CB 1 ATOM 3921 C CG . LYS A 1 496 ? -12.586 4.504 -38.147 1.00 46.81 ? 494 LYS A CG 1 ATOM 3922 C CD . LYS A 1 496 ? -13.216 4.572 -36.790 1.00 43.44 ? 494 LYS A CD 1 ATOM 3923 C CE . LYS A 1 496 ? -14.713 4.705 -36.896 1.00 45.39 ? 494 LYS A CE 1 ATOM 3924 N NZ . LYS A 1 496 ? -15.339 3.588 -37.641 1.00 42.45 ? 494 LYS A NZ 1 ATOM 3925 N N . SER A 1 497 ? -10.019 1.268 -38.264 1.00 53.00 ? 495 SER A N 1 ATOM 3926 C CA . SER A 1 497 ? -9.108 0.264 -38.816 1.00 54.99 ? 495 SER A CA 1 ATOM 3927 C C . SER A 1 497 ? -8.300 0.759 -40.016 1.00 48.68 ? 495 SER A C 1 ATOM 3928 O O . SER A 1 497 ? -7.219 0.253 -40.289 1.00 52.09 ? 495 SER A O 1 ATOM 3929 C CB . SER A 1 497 ? -9.858 -1.028 -39.161 1.00 64.32 ? 495 SER A CB 1 ATOM 3930 O OG . SER A 1 497 ? -10.850 -0.799 -40.144 1.00 70.25 ? 495 SER A OG 1 ATOM 3931 N N . THR A 1 498 ? -8.812 1.758 -40.724 1.00 42.67 ? 496 THR A N 1 ATOM 3932 C CA . THR A 1 498 ? -8.046 2.381 -41.799 1.00 43.96 ? 496 THR A CA 1 ATOM 3933 C C . THR A 1 498 ? -6.901 3.276 -41.304 1.00 47.49 ? 496 THR A C 1 ATOM 3934 O O . THR A 1 498 ? -5.731 2.965 -41.490 1.00 49.46 ? 496 THR A O 1 ATOM 3935 C CB . THR A 1 498 ? -8.954 3.206 -42.721 1.00 57.61 ? 496 THR A CB 1 ATOM 3936 O OG1 . THR A 1 498 ? -9.887 2.332 -43.372 1.00 66.74 ? 496 THR A OG1 1 ATOM 3937 C CG2 . THR A 1 498 ? -8.126 3.962 -43.772 1.00 48.70 ? 496 THR A CG2 1 ATOM 3938 N N . GLU A 1 499 ? -7.239 4.397 -40.681 1.00 49.19 ? 497 GLU A N 1 ATOM 3939 C CA . GLU A 1 499 ? -6.222 5.339 -40.250 1.00 52.64 ? 497 GLU A CA 1 ATOM 3940 C C . GLU A 1 499 ? -5.488 4.924 -38.966 1.00 49.28 ? 497 GLU A C 1 ATOM 3941 O O . GLU A 1 499 ? -4.300 5.217 -38.809 1.00 43.36 ? 497 GLU A O 1 ATOM 3942 C CB . GLU A 1 499 ? -6.843 6.717 -40.084 1.00 67.01 ? 497 GLU A CB 1 ATOM 3943 C CG . GLU A 1 499 ? -7.688 7.137 -41.257 1.00 82.47 ? 497 GLU A CG 1 ATOM 3944 C CD . GLU A 1 499 ? -8.346 8.476 -41.014 1.00 97.28 ? 497 GLU A CD 1 ATOM 3945 O OE1 . GLU A 1 499 ? -8.641 8.777 -39.836 1.00 101.81 ? 497 GLU A OE1 1 ATOM 3946 O OE2 . GLU A 1 499 ? -8.555 9.231 -41.988 1.00 101.95 ? 497 GLU A OE2 1 ATOM 3947 N N . GLN A 1 500 ? -6.190 4.250 -38.056 1.00 41.32 ? 498 GLN A N 1 ATOM 3948 C CA . GLN A 1 500 ? -5.581 3.790 -36.802 1.00 36.26 ? 498 GLN A CA 1 ATOM 3949 C C . GLN A 1 500 ? -4.859 4.899 -36.022 1.00 41.84 ? 498 GLN A C 1 ATOM 3950 O O . GLN A 1 500 ? -3.725 4.732 -35.564 1.00 41.20 ? 498 GLN A O 1 ATOM 3951 C CB . GLN A 1 500 ? -4.668 2.608 -37.075 1.00 28.40 ? 498 GLN A CB 1 ATOM 3952 C CG . GLN A 1 500 ? -5.403 1.514 -37.806 1.00 33.13 ? 498 GLN A CG 1 ATOM 3953 C CD . GLN A 1 500 ? -4.489 0.584 -38.555 1.00 42.57 ? 498 GLN A CD 1 ATOM 3954 O OE1 . GLN A 1 500 ? -3.496 0.092 -38.019 1.00 33.02 ? 498 GLN A OE1 1 ATOM 3955 N NE2 . GLN A 1 500 ? -4.813 0.343 -39.814 1.00 52.21 ? 498 GLN A NE2 1 ATOM 3956 N N . LYS A 1 501 ? -5.545 6.027 -35.873 1.00 34.35 ? 499 LYS A N 1 ATOM 3957 C CA . LYS A 1 501 ? -5.036 7.142 -35.089 1.00 33.61 ? 499 LYS A CA 1 ATOM 3958 C C . LYS A 1 501 ? -4.988 6.849 -33.606 1.00 32.06 ? 499 LYS A C 1 ATOM 3959 O O . LYS A 1 501 ? -5.899 6.249 -33.042 1.00 33.98 ? 499 LYS A O 1 ATOM 3960 C CB . LYS A 1 501 ? -5.900 8.383 -35.306 1.00 28.04 ? 499 LYS A CB 1 ATOM 3961 C CG . LYS A 1 501 ? -5.809 8.918 -36.696 1.00 29.76 ? 499 LYS A CG 1 ATOM 3962 C CD . LYS A 1 501 ? -6.749 10.081 -36.909 1.00 38.97 ? 499 LYS A CD 1 ATOM 3963 C CE . LYS A 1 501 ? -6.261 10.951 -38.068 1.00 41.88 ? 499 LYS A CE 1 ATOM 3964 N NZ . LYS A 1 501 ? -7.414 11.602 -38.744 1.00 49.90 ? 499 LYS A NZ 1 ATOM 3965 N N . TYR A 1 502 ? -3.927 7.311 -32.967 1.00 31.40 ? 500 TYR A N 1 ATOM 3966 C CA . TYR A 1 502 ? -3.833 7.219 -31.526 1.00 31.15 ? 500 TYR A CA 1 ATOM 3967 C C . TYR A 1 502 ? -3.244 8.516 -30.962 1.00 32.85 ? 500 TYR A C 1 ATOM 3968 O O . TYR A 1 502 ? -2.734 9.353 -31.705 1.00 30.18 ? 500 TYR A O 1 ATOM 3969 C CB . TYR A 1 502 ? -2.985 6.017 -31.132 1.00 23.37 ? 500 TYR A CB 1 ATOM 3970 C CG . TYR A 1 502 ? -1.559 6.109 -31.583 1.00 33.21 ? 500 TYR A CG 1 ATOM 3971 C CD1 . TYR A 1 502 ? -1.192 5.726 -32.877 1.00 33.37 ? 500 TYR A CD1 1 ATOM 3972 C CD2 . TYR A 1 502 ? -0.568 6.578 -30.721 1.00 29.08 ? 500 TYR A CD2 1 ATOM 3973 C CE1 . TYR A 1 502 ? 0.118 5.812 -33.306 1.00 29.92 ? 500 TYR A CE1 1 ATOM 3974 C CE2 . TYR A 1 502 ? 0.754 6.660 -31.144 1.00 30.83 ? 500 TYR A CE2 1 ATOM 3975 C CZ . TYR A 1 502 ? 1.089 6.272 -32.435 1.00 31.71 ? 500 TYR A CZ 1 ATOM 3976 O OH . TYR A 1 502 ? 2.398 6.356 -32.864 1.00 32.65 ? 500 TYR A OH 1 ATOM 3977 N N . LEU A 1 503 ? -3.333 8.664 -29.644 1.00 37.42 ? 501 LEU A N 1 ATOM 3978 C CA . LEU A 1 503 ? -2.858 9.850 -28.939 1.00 35.88 ? 501 LEU A CA 1 ATOM 3979 C C . LEU A 1 503 ? -1.632 9.513 -28.075 1.00 29.90 ? 501 LEU A C 1 ATOM 3980 O O . LEU A 1 503 ? -1.641 8.548 -27.314 1.00 29.29 ? 501 LEU A O 1 ATOM 3981 C CB . LEU A 1 503 ? -3.984 10.414 -28.074 1.00 37.51 ? 501 LEU A CB 1 ATOM 3982 C CG . LEU A 1 503 ? -3.716 11.706 -27.300 1.00 46.43 ? 501 LEU A CG 1 ATOM 3983 C CD1 . LEU A 1 503 ? -3.620 12.917 -28.242 1.00 49.15 ? 501 LEU A CD1 1 ATOM 3984 C CD2 . LEU A 1 503 ? -4.784 11.914 -26.250 1.00 37.80 ? 501 LEU A CD2 1 ATOM 3985 N N . THR A 1 504 ? -0.558 10.277 -28.230 1.00 28.40 ? 502 THR A N 1 ATOM 3986 C CA . THR A 1 504 ? 0.624 10.079 -27.396 1.00 41.85 ? 502 THR A CA 1 ATOM 3987 C C . THR A 1 504 ? 0.412 10.822 -26.081 1.00 44.96 ? 502 THR A C 1 ATOM 3988 O O . THR A 1 504 ? -0.195 11.885 -26.067 1.00 43.96 ? 502 THR A O 1 ATOM 3989 C CB . THR A 1 504 ? 1.917 10.584 -28.075 1.00 45.12 ? 502 THR A CB 1 ATOM 3990 O OG1 . THR A 1 504 ? 1.873 12.015 -28.205 1.00 46.62 ? 502 THR A OG1 1 ATOM 3991 C CG2 . THR A 1 504 ? 2.084 9.947 -29.455 1.00 40.79 ? 502 THR A CG2 1 ATOM 3992 N N . LEU A 1 505 ? 0.881 10.244 -24.980 1.00 39.19 ? 503 LEU A N 1 ATOM 3993 C CA . LEU A 1 505 ? 0.724 10.856 -23.673 1.00 34.69 ? 503 LEU A CA 1 ATOM 3994 C C . LEU A 1 505 ? 2.082 11.062 -23.048 1.00 36.13 ? 503 LEU A C 1 ATOM 3995 O O . LEU A 1 505 ? 2.757 10.110 -22.678 1.00 39.83 ? 503 LEU A O 1 ATOM 3996 C CB . LEU A 1 505 ? -0.131 9.985 -22.756 1.00 33.19 ? 503 LEU A CB 1 ATOM 3997 C CG . LEU A 1 505 ? -1.620 9.899 -23.100 1.00 35.85 ? 503 LEU A CG 1 ATOM 3998 C CD1 . LEU A 1 505 ? -2.366 9.009 -22.122 1.00 22.88 ? 503 LEU A CD1 1 ATOM 3999 C CD2 . LEU A 1 505 ? -2.230 11.284 -23.104 1.00 30.08 ? 503 LEU A CD2 1 ATOM 4000 N N . ASN A 1 506 ? 2.485 12.316 -22.942 1.00 32.84 ? 504 ASN A N 1 ATOM 4001 C CA . ASN A 1 506 ? 3.722 12.643 -22.276 1.00 40.36 ? 504 ASN A CA 1 ATOM 4002 C C . ASN A 1 506 ? 3.737 14.117 -21.892 1.00 42.81 ? 504 ASN A C 1 ATOM 4003 O O . ASN A 1 506 ? 2.772 14.839 -22.148 1.00 45.13 ? 504 ASN A O 1 ATOM 4004 C CB . ASN A 1 506 ? 4.911 12.305 -23.162 1.00 48.05 ? 504 ASN A CB 1 ATOM 4005 C CG . ASN A 1 506 ? 4.985 13.185 -24.375 1.00 56.28 ? 504 ASN A CG 1 ATOM 4006 O OD1 . ASN A 1 506 ? 5.418 14.331 -24.292 1.00 70.66 ? 504 ASN A OD1 1 ATOM 4007 N ND2 . ASN A 1 506 ? 4.557 12.661 -25.517 1.00 58.38 ? 504 ASN A ND2 1 ATOM 4008 N N . THR A 1 507 ? 4.835 14.558 -21.281 1.00 41.67 ? 505 THR A N 1 ATOM 4009 C CA . THR A 1 507 ? 4.919 15.910 -20.752 1.00 47.90 ? 505 THR A CA 1 ATOM 4010 C C . THR A 1 507 ? 5.379 16.952 -21.780 1.00 53.14 ? 505 THR A C 1 ATOM 4011 O O . THR A 1 507 ? 5.077 18.139 -21.641 1.00 55.33 ? 505 THR A O 1 ATOM 4012 C CB . THR A 1 507 ? 5.793 15.973 -19.468 1.00 50.25 ? 505 THR A CB 1 ATOM 4013 O OG1 . THR A 1 507 ? 7.169 15.763 -19.799 1.00 45.59 ? 505 THR A OG1 1 ATOM 4014 C CG2 . THR A 1 507 ? 5.345 14.909 -18.472 1.00 47.83 ? 505 THR A CG2 1 ATOM 4015 N N . GLU A 1 508 ? 6.097 16.516 -22.810 1.00 56.20 ? 506 GLU A N 1 ATOM 4016 C CA . GLU A 1 508 ? 6.541 17.443 -23.846 1.00 68.34 ? 506 GLU A CA 1 ATOM 4017 C C . GLU A 1 508 ? 5.343 18.003 -24.607 1.00 75.77 ? 506 GLU A C 1 ATOM 4018 O O . GLU A 1 508 ? 5.005 19.185 -24.477 1.00 78.93 ? 506 GLU A O 1 ATOM 4019 C CB . GLU A 1 508 ? 7.533 16.778 -24.806 1.00 68.44 ? 506 GLU A CB 1 ATOM 4020 C CG . GLU A 1 508 ? 8.974 16.789 -24.317 1.00 73.55 ? 506 GLU A CG 1 ATOM 4021 C CD . GLU A 1 508 ? 9.919 16.087 -25.274 0.0000 73.89 ? 506 GLU A CD 1 ATOM 4022 O OE1 . GLU A 1 508 ? 9.437 15.503 -26.267 0.0000 72.90 ? 506 GLU A OE1 1 ATOM 4023 O OE2 . GLU A 1 508 ? 11.145 16.120 -25.033 0.0000 75.30 ? 506 GLU A OE2 1 ATOM 4024 N N . SER A 1 509 ? 4.697 17.148 -25.392 1.00 73.81 ? 507 SER A N 1 ATOM 4025 C CA . SER A 1 509 ? 3.516 17.554 -26.141 1.00 74.66 ? 507 SER A CA 1 ATOM 4026 C C . SER A 1 509 ? 2.719 16.336 -26.527 1.00 67.38 ? 507 SER A C 1 ATOM 4027 O O . SER A 1 509 ? 3.281 15.344 -26.981 1.00 71.01 ? 507 SER A O 1 ATOM 4028 C CB . SER A 1 509 ? 3.912 18.290 -27.417 1.00 75.91 ? 507 SER A CB 1 ATOM 4029 O OG . SER A 1 509 ? 4.394 17.367 -28.375 1.00 70.10 ? 507 SER A OG 1 ATOM 4030 N N . THR A 1 510 ? 1.407 16.412 -26.360 1.00 63.85 ? 508 THR A N 1 ATOM 4031 C CA . THR A 1 510 ? 0.555 15.314 -26.785 1.00 67.81 ? 508 THR A CA 1 ATOM 4032 C C . THR A 1 510 ? 0.083 15.520 -28.224 1.00 65.02 ? 508 THR A C 1 ATOM 4033 O O . THR A 1 510 ? -0.320 16.612 -28.617 1.00 65.81 ? 508 THR A O 1 ATOM 4034 C CB . THR A 1 510 ? -0.632 15.113 -25.836 1.00 66.18 ? 508 THR A CB 1 ATOM 4035 O OG1 . THR A 1 510 ? -1.472 16.272 -25.865 1.00 67.30 ? 508 THR A OG1 1 ATOM 4036 C CG2 . THR A 1 510 ? -0.124 14.855 -24.410 1.00 53.10 ? 508 THR A CG2 1 ATOM 4037 N N . ARG A 1 511 ? 0.164 14.468 -29.022 1.00 62.91 ? 509 ARG A N 1 ATOM 4038 C CA . ARG A 1 511 ? -0.193 14.597 -30.422 1.00 58.47 ? 509 ARG A CA 1 ATOM 4039 C C . ARG A 1 511 ? -0.787 13.327 -31.012 1.00 49.57 ? 509 ARG A C 1 ATOM 4040 O O . ARG A 1 511 ? -0.736 12.244 -30.417 1.00 45.48 ? 509 ARG A O 1 ATOM 4041 C CB . ARG A 1 511 ? 1.006 15.074 -31.241 1.00 62.88 ? 509 ARG A CB 1 ATOM 4042 C CG . ARG A 1 511 ? 2.224 14.194 -31.125 1.00 58.13 ? 509 ARG A CG 1 ATOM 4043 C CD . ARG A 1 511 ? 3.455 14.907 -31.657 1.00 58.47 ? 509 ARG A CD 1 ATOM 4044 N NE . ARG A 1 511 ? 4.543 13.967 -31.913 1.00 70.27 ? 509 ARG A NE 1 ATOM 4045 C CZ . ARG A 1 511 ? 4.943 13.581 -33.125 1.00 83.39 ? 509 ARG A CZ 1 ATOM 4046 N NH1 . ARG A 1 511 ? 4.352 14.060 -34.222 1.00 87.24 ? 509 ARG A NH1 1 ATOM 4047 N NH2 . ARG A 1 511 ? 5.947 12.722 -33.242 1.00 83.21 ? 509 ARG A NH2 1 ATOM 4048 N N . ILE A 1 512 ? -1.369 13.493 -32.190 1.00 40.87 ? 510 ILE A N 1 ATOM 4049 C CA . ILE A 1 512 ? -2.092 12.439 -32.860 1.00 36.73 ? 510 ILE A CA 1 ATOM 4050 C C . ILE A 1 512 ? -1.154 11.803 -33.860 1.00 46.05 ? 510 ILE A C 1 ATOM 4051 O O . ILE A 1 512 ? -0.523 12.493 -34.664 1.00 52.89 ? 510 ILE A O 1 ATOM 4052 C CB . ILE A 1 512 ? -3.324 13.014 -33.583 1.00 37.63 ? 510 ILE A CB 1 ATOM 4053 C CG1 . ILE A 1 512 ? -4.246 13.707 -32.575 1.00 35.59 ? 510 ILE A CG1 1 ATOM 4054 C CG2 . ILE A 1 512 ? -4.057 11.918 -34.378 1.00 32.50 ? 510 ILE A CG2 1 ATOM 4055 C CD1 . ILE A 1 512 ? -5.194 14.703 -33.207 1.00 36.61 ? 510 ILE A CD1 1 ATOM 4056 N N . MET A 1 513 ? -1.037 10.486 -33.790 1.00 39.67 ? 511 MET A N 1 ATOM 4057 C CA . MET A 1 513 ? -0.191 9.754 -34.716 1.00 36.32 ? 511 MET A CA 1 ATOM 4058 C C . MET A 1 513 ? -0.977 8.614 -35.319 1.00 38.10 ? 511 MET A C 1 ATOM 4059 O O . MET A 1 513 ? -2.119 8.380 -34.953 1.00 35.45 ? 511 MET A O 1 ATOM 4060 C CB . MET A 1 513 ? 1.015 9.194 -33.990 1.00 39.42 ? 511 MET A CB 1 ATOM 4061 C CG . MET A 1 513 ? 1.623 10.165 -33.019 1.00 42.29 ? 511 MET A CG 1 ATOM 4062 S SD . MET A 1 513 ? 3.298 10.581 -33.506 1.00 65.19 ? 511 MET A SD 1 ATOM 4063 C CE . MET A 1 513 ? 3.038 11.159 -35.164 1.00 39.88 ? 511 MET A CE 1 ATOM 4064 N N . THR A 1 514 ? -0.355 7.891 -36.239 1.00 42.61 ? 512 THR A N 1 ATOM 4065 C CA . THR A 1 514 ? -1.053 6.825 -36.943 1.00 42.67 ? 512 THR A CA 1 ATOM 4066 C C . THR A 1 514 ? -0.252 5.528 -36.963 1.00 42.20 ? 512 THR A C 1 ATOM 4067 O O . THR A 1 514 ? 0.985 5.556 -36.950 1.00 41.17 ? 512 THR A O 1 ATOM 4068 C CB . THR A 1 514 ? -1.396 7.242 -38.381 1.00 43.79 ? 512 THR A CB 1 ATOM 4069 O OG1 . THR A 1 514 ? -0.195 7.572 -39.088 1.00 49.76 ? 512 THR A OG1 1 ATOM 4070 C CG2 . THR A 1 514 ? -2.326 8.448 -38.373 1.00 33.41 ? 512 THR A CG2 1 ATOM 4071 N N . LYS A 1 515 ? -0.975 4.404 -36.959 1.00 32.64 ? 513 LYS A N 1 ATOM 4072 C CA . LYS A 1 515 ? -0.398 3.077 -37.192 1.00 36.16 ? 513 LYS A CA 1 ATOM 4073 C C . LYS A 1 515 ? 0.801 2.775 -36.306 1.00 31.15 ? 513 LYS A C 1 ATOM 4074 O O . LYS A 1 515 ? 1.907 2.590 -36.804 1.00 35.63 ? 513 LYS A O 1 ATOM 4075 C CB . LYS A 1 515 ? 0.013 2.919 -38.668 1.00 37.40 ? 513 LYS A CB 1 ATOM 4076 C CG . LYS A 1 515 ? -1.128 3.102 -39.650 1.00 36.72 ? 513 LYS A CG 1 ATOM 4077 C CD . LYS A 1 515 ? -0.748 2.628 -41.028 1.00 46.41 ? 513 LYS A CD 1 ATOM 4078 C CE . LYS A 1 515 ? -1.927 2.722 -41.998 1.00 68.85 ? 513 LYS A CE 1 ATOM 4079 N NZ . LYS A 1 515 ? -2.338 4.129 -42.314 1.00 78.04 ? 513 LYS A NZ 1 ATOM 4080 N N . LEU A 1 516 ? 0.574 2.748 -35.000 1.00 24.18 ? 514 LEU A N 1 ATOM 4081 C CA . LEU A 1 516 ? 1.622 2.479 -34.023 1.00 30.60 ? 514 LEU A CA 1 ATOM 4082 C C . LEU A 1 516 ? 2.345 1.136 -34.260 1.00 43.53 ? 514 LEU A C 1 ATOM 4083 O O . LEU A 1 516 ? 1.697 0.068 -34.318 1.00 31.57 ? 514 LEU A O 1 ATOM 4084 C CB . LEU A 1 516 ? 1.008 2.490 -32.621 1.00 32.99 ? 514 LEU A CB 1 ATOM 4085 C CG . LEU A 1 516 ? 1.921 2.141 -31.450 1.00 33.27 ? 514 LEU A CG 1 ATOM 4086 C CD1 . LEU A 1 516 ? 3.067 3.172 -31.339 1.00 29.26 ? 514 LEU A CD1 1 ATOM 4087 C CD2 . LEU A 1 516 ? 1.113 2.057 -30.172 1.00 28.90 ? 514 LEU A CD2 1 ATOM 4088 N N . ARG A 1 517 ? 3.677 1.207 -34.383 1.00 39.85 ? 515 ARG A N 1 ATOM 4089 C CA . ARG A 1 517 ? 4.551 0.042 -34.586 1.00 44.40 ? 515 ARG A CA 1 ATOM 4090 C C . ARG A 1 517 ? 3.990 -0.955 -35.627 1.00 50.32 ? 515 ARG A C 1 ATOM 4091 O O . ARG A 1 517 ? 4.081 -2.183 -35.461 1.00 40.12 ? 515 ARG A O 1 ATOM 4092 C CB . ARG A 1 517 ? 4.858 -0.672 -33.260 1.00 45.48 ? 515 ARG A CB 1 ATOM 4093 C CG . ARG A 1 517 ? 4.789 0.198 -31.992 1.00 48.51 ? 515 ARG A CG 1 ATOM 4094 C CD . ARG A 1 517 ? 6.117 0.357 -31.215 1.00 37.74 ? 515 ARG A CD 1 ATOM 4095 N NE . ARG A 1 517 ? 6.884 -0.880 -31.103 1.00 35.35 ? 515 ARG A NE 1 ATOM 4096 C CZ . ARG A 1 517 ? 8.202 -0.942 -31.298 1.00 50.61 ? 515 ARG A CZ 1 ATOM 4097 N NH1 . ARG A 1 517 ? 8.881 0.163 -31.600 1.00 51.04 ? 515 ARG A NH1 1 ATOM 4098 N NH2 . ARG A 1 517 ? 8.851 -2.100 -31.203 1.00 48.01 ? 515 ARG A NH2 1 ATOM 4099 N N . ALA A 1 518 ? 3.409 -0.402 -36.691 1.00 39.86 ? 516 ALA A N 1 ATOM 4100 C CA . ALA A 1 518 ? 2.705 -1.175 -37.706 1.00 42.52 ? 516 ALA A CA 1 ATOM 4101 C C . ALA A 1 518 ? 3.605 -2.214 -38.369 1.00 42.44 ? 516 ALA A C 1 ATOM 4102 O O . ALA A 1 518 ? 3.163 -3.292 -38.753 1.00 38.39 ? 516 ALA A O 1 ATOM 4103 C CB . ALA A 1 518 ? 2.121 -0.236 -38.760 1.00 35.98 ? 516 ALA A CB 1 ATOM 4104 N N . GLN A 1 519 ? 4.872 -1.865 -38.507 1.00 40.00 ? 517 GLN A N 1 ATOM 4105 C CA . GLN A 1 519 ? 5.828 -2.726 -39.161 1.00 40.40 ? 517 GLN A CA 1 ATOM 4106 C C . GLN A 1 519 ? 6.213 -3.890 -38.244 1.00 44.68 ? 517 GLN A C 1 ATOM 4107 O O . GLN A 1 519 ? 6.376 -5.020 -38.708 1.00 60.29 ? 517 GLN A O 1 ATOM 4108 C CB . GLN A 1 519 ? 7.042 -1.903 -39.584 1.00 51.25 ? 517 GLN A CB 1 ATOM 4109 C CG . GLN A 1 519 ? 7.744 -2.424 -40.806 1.00 69.27 ? 517 GLN A CG 1 ATOM 4110 C CD . GLN A 1 519 ? 9.054 -3.102 -40.462 1.00 84.18 ? 517 GLN A CD 1 ATOM 4111 O OE1 . GLN A 1 519 ? 9.501 -3.066 -39.310 1.00 81.48 ? 517 GLN A OE1 1 ATOM 4112 N NE2 . GLN A 1 519 ? 9.683 -3.723 -41.460 1.00 91.94 ? 517 GLN A NE2 1 ATOM 4113 N N . GLN A 1 520 ? 6.338 -3.624 -36.945 1.00 32.48 ? 518 GLN A N 1 ATOM 4114 C CA . GLN A 1 520 ? 6.589 -4.689 -35.963 1.00 36.55 ? 518 GLN A CA 1 ATOM 4115 C C . GLN A 1 520 ? 5.368 -5.588 -35.738 1.00 39.71 ? 518 GLN A C 1 ATOM 4116 O O . GLN A 1 520 ? 5.493 -6.807 -35.640 1.00 49.70 ? 518 GLN A O 1 ATOM 4117 C CB . GLN A 1 520 ? 7.042 -4.111 -34.616 1.00 31.50 ? 518 GLN A CB 1 ATOM 4118 C CG . GLN A 1 520 ? 8.360 -3.340 -34.657 1.00 41.50 ? 518 GLN A CG 1 ATOM 4119 C CD . GLN A 1 520 ? 8.218 -1.928 -35.216 1.00 49.04 ? 518 GLN A CD 1 ATOM 4120 O OE1 . GLN A 1 520 ? 7.143 -1.531 -35.675 1.00 50.79 ? 518 GLN A OE1 1 ATOM 4121 N NE2 . GLN A 1 520 ? 9.307 -1.160 -35.173 1.00 41.79 ? 518 GLN A NE2 1 ATOM 4122 N N . CYS A 1 521 ? 4.188 -4.989 -35.658 1.00 34.06 ? 519 CYS A N 1 ATOM 4123 C CA . CYS A 1 521 ? 2.972 -5.749 -35.377 1.00 32.65 ? 519 CYS A CA 1 ATOM 4124 C C . CYS A 1 521 ? 2.534 -6.576 -36.575 1.00 32.76 ? 519 CYS A C 1 ATOM 4125 O O . CYS A 1 521 ? 1.947 -7.650 -36.432 1.00 33.54 ? 519 CYS A O 1 ATOM 4126 C CB . CYS A 1 521 ? 1.855 -4.811 -34.904 1.00 32.64 ? 519 CYS A CB 1 ATOM 4127 S SG . CYS A 1 521 ? 2.215 -4.133 -33.275 1.00 56.04 ? 519 CYS A SG 1 ATOM 4128 N N . ARG A 1 522 ? 2.835 -6.074 -37.761 1.00 31.06 ? 520 ARG A N 1 ATOM 4129 C CA . ARG A 1 522 ? 2.569 -6.829 -38.966 1.00 33.79 ? 520 ARG A CA 1 ATOM 4130 C C . ARG A 1 522 ? 3.244 -8.211 -38.882 1.00 44.47 ? 520 ARG A C 1 ATOM 4131 O O . ARG A 1 522 ? 2.675 -9.221 -39.295 1.00 46.68 ? 520 ARG A O 1 ATOM 4132 C CB . ARG A 1 522 ? 3.075 -6.052 -40.165 1.00 38.68 ? 520 ARG A CB 1 ATOM 4133 C CG . ARG A 1 522 ? 2.585 -6.580 -41.473 1.00 37.54 ? 520 ARG A CG 1 ATOM 4134 C CD . ARG A 1 522 ? 3.174 -5.824 -42.655 1.00 35.44 ? 520 ARG A CD 1 ATOM 4135 N NE . ARG A 1 522 ? 3.016 -6.675 -43.826 1.00 50.76 ? 520 ARG A NE 1 ATOM 4136 C CZ . ARG A 1 522 ? 4.014 -7.282 -44.452 1.00 44.88 ? 520 ARG A CZ 1 ATOM 4137 N NH1 . ARG A 1 522 ? 5.269 -7.091 -44.058 1.00 36.16 ? 520 ARG A NH1 1 ATOM 4138 N NH2 . ARG A 1 522 ? 3.752 -8.049 -45.495 1.00 49.10 ? 520 ARG A NH2 1 ATOM 4139 N N . PHE A 1 523 ? 4.447 -8.243 -38.317 1.00 41.80 ? 521 PHE A N 1 ATOM 4140 C CA . PHE A 1 523 ? 5.178 -9.485 -38.126 1.00 44.30 ? 521 PHE A CA 1 ATOM 4141 C C . PHE A 1 523 ? 4.477 -10.437 -37.137 1.00 44.58 ? 521 PHE A C 1 ATOM 4142 O O . PHE A 1 523 ? 4.415 -11.647 -37.367 1.00 47.01 ? 521 PHE A O 1 ATOM 4143 C CB . PHE A 1 523 ? 6.616 -9.200 -37.664 1.00 45.59 ? 521 PHE A CB 1 ATOM 4144 C CG . PHE A 1 523 ? 7.351 -10.427 -37.199 1.00 54.80 ? 521 PHE A CG 1 ATOM 4145 C CD1 . PHE A 1 523 ? 8.070 -11.202 -38.097 1.00 57.68 ? 521 PHE A CD1 1 ATOM 4146 C CD2 . PHE A 1 523 ? 7.310 -10.820 -35.869 1.00 54.52 ? 521 PHE A CD2 1 ATOM 4147 C CE1 . PHE A 1 523 ? 8.735 -12.342 -37.679 1.00 55.75 ? 521 PHE A CE1 1 ATOM 4148 C CE2 . PHE A 1 523 ? 7.967 -11.964 -35.448 1.00 57.64 ? 521 PHE A CE2 1 ATOM 4149 C CZ . PHE A 1 523 ? 8.683 -12.723 -36.354 1.00 57.09 ? 521 PHE A CZ 1 ATOM 4150 N N . TRP A 1 524 ? 3.957 -9.894 -36.042 1.00 32.39 ? 522 TRP A N 1 ATOM 4151 C CA . TRP A 1 524 ? 3.375 -10.730 -35.005 1.00 31.82 ? 522 TRP A CA 1 ATOM 4152 C C . TRP A 1 524 ? 1.978 -11.260 -35.338 1.00 41.12 ? 522 TRP A C 1 ATOM 4153 O O . TRP A 1 524 ? 1.605 -12.326 -34.870 1.00 57.47 ? 522 TRP A O 1 ATOM 4154 C CB . TRP A 1 524 ? 3.395 -10.018 -33.639 1.00 27.93 ? 522 TRP A CB 1 ATOM 4155 C CG . TRP A 1 524 ? 4.788 -9.786 -33.125 1.00 32.35 ? 522 TRP A CG 1 ATOM 4156 C CD1 . TRP A 1 524 ? 5.437 -8.585 -33.024 1.00 34.45 ? 522 TRP A CD1 1 ATOM 4157 C CD2 . TRP A 1 524 ? 5.725 -10.784 -32.685 1.00 34.20 ? 522 TRP A CD2 1 ATOM 4158 N NE1 . TRP A 1 524 ? 6.706 -8.772 -32.540 1.00 36.80 ? 522 TRP A NE1 1 ATOM 4159 C CE2 . TRP A 1 524 ? 6.908 -10.111 -32.317 1.00 37.64 ? 522 TRP A CE2 1 ATOM 4160 C CE3 . TRP A 1 524 ? 5.674 -12.179 -32.558 1.00 35.98 ? 522 TRP A CE3 1 ATOM 4161 C CZ2 . TRP A 1 524 ? 8.029 -10.784 -31.831 1.00 34.99 ? 522 TRP A CZ2 1 ATOM 4162 C CZ3 . TRP A 1 524 ? 6.782 -12.845 -32.071 1.00 37.03 ? 522 TRP A CZ3 1 ATOM 4163 C CH2 . TRP A 1 524 ? 7.949 -12.150 -31.723 1.00 35.81 ? 522 TRP A CH2 1 ATOM 4164 N N . THR A 1 525 ? 1.213 -10.538 -36.147 1.00 39.27 ? 523 THR A N 1 ATOM 4165 C CA . THR A 1 525 ? -0.132 -10.991 -36.505 1.00 43.49 ? 523 THR A CA 1 ATOM 4166 C C . THR A 1 525 ? -0.180 -11.775 -37.814 1.00 50.91 ? 523 THR A C 1 ATOM 4167 O O . THR A 1 525 ? -1.047 -12.635 -37.998 1.00 48.88 ? 523 THR A O 1 ATOM 4168 C CB . THR A 1 525 ? -1.119 -9.822 -36.668 1.00 47.29 ? 523 THR A CB 1 ATOM 4169 O OG1 . THR A 1 525 ? -0.881 -9.179 -37.930 1.00 63.53 ? 523 THR A OG1 1 ATOM 4170 C CG2 . THR A 1 525 ? -0.967 -8.828 -35.544 1.00 34.12 ? 523 THR A CG2 1 ATOM 4171 N N . SER A 1 526 ? 0.732 -11.475 -38.734 1.00 53.75 ? 524 SER A N 1 ATOM 4172 C CA . SER A 1 526 ? 0.633 -12.049 -40.077 1.00 53.80 ? 524 SER A CA 1 ATOM 4173 C C . SER A 1 526 ? 1.794 -12.935 -40.515 1.00 51.81 ? 524 SER A C 1 ATOM 4174 O O . SER A 1 526 ? 1.714 -13.570 -41.562 1.00 59.89 ? 524 SER A O 1 ATOM 4175 C CB . SER A 1 526 ? 0.398 -10.947 -41.119 1.00 54.44 ? 524 SER A CB 1 ATOM 4176 O OG . SER A 1 526 ? -0.575 -10.020 -40.652 1.00 63.28 ? 524 SER A OG 1 ATOM 4177 N N . PHE A 1 527 ? 2.879 -12.976 -39.753 1.00 52.07 ? 525 PHE A N 1 ATOM 4178 C CA . PHE A 1 527 ? 3.940 -13.927 -40.090 1.00 53.98 ? 525 PHE A CA 1 ATOM 4179 C C . PHE A 1 527 ? 4.211 -14.964 -39.004 1.00 48.35 ? 525 PHE A C 1 ATOM 4180 O O . PHE A 1 527 ? 4.185 -16.167 -39.279 1.00 44.73 ? 525 PHE A O 1 ATOM 4181 C CB . PHE A 1 527 ? 5.244 -13.246 -40.505 1.00 47.06 ? 525 PHE A CB 1 ATOM 4182 C CG . PHE A 1 527 ? 6.269 -14.210 -41.022 1.00 43.81 ? 525 PHE A CG 1 ATOM 4183 C CD1 . PHE A 1 527 ? 6.143 -14.760 -42.287 1.00 48.77 ? 525 PHE A CD1 1 ATOM 4184 C CD2 . PHE A 1 527 ? 7.342 -14.596 -40.237 1.00 39.09 ? 525 PHE A CD2 1 ATOM 4185 C CE1 . PHE A 1 527 ? 7.081 -15.669 -42.766 1.00 47.26 ? 525 PHE A CE1 1 ATOM 4186 C CE2 . PHE A 1 527 ? 8.282 -15.506 -40.713 1.00 39.52 ? 525 PHE A CE2 1 ATOM 4187 C CZ . PHE A 1 527 ? 8.153 -16.032 -41.970 1.00 40.07 ? 525 PHE A CZ 1 ATOM 4188 N N . PHE A 1 528 ? 4.466 -14.493 -37.784 1.00 38.74 ? 526 PHE A N 1 ATOM 4189 C CA . PHE A 1 528 ? 4.756 -15.376 -36.648 1.00 45.93 ? 526 PHE A CA 1 ATOM 4190 C C . PHE A 1 528 ? 3.832 -16.592 -36.458 1.00 56.99 ? 526 PHE A C 1 ATOM 4191 O O . PHE A 1 528 ? 4.322 -17.683 -36.170 1.00 65.20 ? 526 PHE A O 1 ATOM 4192 C CB . PHE A 1 528 ? 4.854 -14.587 -35.340 1.00 46.65 ? 526 PHE A CB 1 ATOM 4193 C CG . PHE A 1 528 ? 5.409 -15.387 -34.204 1.00 53.86 ? 526 PHE A CG 1 ATOM 4194 C CD1 . PHE A 1 528 ? 6.759 -15.703 -34.161 1.00 51.53 ? 526 PHE A CD1 1 ATOM 4195 C CD2 . PHE A 1 528 ? 4.589 -15.830 -33.184 1.00 52.79 ? 526 PHE A CD2 1 ATOM 4196 C CE1 . PHE A 1 528 ? 7.275 -16.432 -33.125 1.00 46.75 ? 526 PHE A CE1 1 ATOM 4197 C CE2 . PHE A 1 528 ? 5.102 -16.569 -32.141 1.00 45.29 ? 526 PHE A CE2 1 ATOM 4198 C CZ . PHE A 1 528 ? 6.445 -16.871 -32.113 1.00 45.52 ? 526 PHE A CZ 1 ATOM 4199 N N . PRO A 1 529 ? 2.503 -16.415 -36.600 1.00 58.16 ? 527 PRO A N 1 ATOM 4200 C CA . PRO A 1 529 ? 1.616 -17.583 -36.467 1.00 54.45 ? 527 PRO A CA 1 ATOM 4201 C C . PRO A 1 529 ? 1.961 -18.724 -37.414 1.00 56.18 ? 527 PRO A C 1 ATOM 4202 O O . PRO A 1 529 ? 1.884 -19.886 -37.034 1.00 67.38 ? 527 PRO A O 1 ATOM 4203 C CB . PRO A 1 529 ? 0.248 -17.015 -36.824 1.00 56.28 ? 527 PRO A CB 1 ATOM 4204 C CG . PRO A 1 529 ? 0.331 -15.593 -36.360 1.00 64.79 ? 527 PRO A CG 1 ATOM 4205 C CD . PRO A 1 529 ? 1.732 -15.158 -36.680 1.00 63.28 ? 527 PRO A CD 1 ATOM 4206 N N . LYS A 1 530 ? 2.356 -18.393 -38.631 1.00 57.99 ? 528 LYS A N 1 ATOM 4207 C CA . LYS A 1 530 ? 2.673 -19.406 -39.623 1.00 67.03 ? 528 LYS A CA 1 ATOM 4208 C C . LYS A 1 530 ? 4.016 -20.066 -39.327 1.00 73.82 ? 528 LYS A C 1 ATOM 4209 O O . LYS A 1 530 ? 4.428 -21.002 -40.016 1.00 82.38 ? 528 LYS A O 1 ATOM 4210 C CB . LYS A 1 530 ? 2.669 -18.790 -41.024 1.00 66.29 ? 528 LYS A CB 1 ATOM 4211 C CG . LYS A 1 530 ? 1.420 -17.970 -41.326 1.00 63.34 ? 528 LYS A CG 1 ATOM 4212 C CD . LYS A 1 530 ? 1.484 -17.340 -42.712 1.00 67.19 ? 528 LYS A CD 1 ATOM 4213 C CE . LYS A 1 530 ? 0.153 -16.709 -43.064 1.00 70.74 ? 528 LYS A CE 1 ATOM 4214 N NZ . LYS A 1 530 ? -0.318 -15.862 -41.925 1.00 75.10 ? 528 LYS A NZ 1 ATOM 4215 N N . VAL A 1 531 ? 4.695 -19.582 -38.296 1.00 69.98 ? 529 VAL A N 1 ATOM 4216 C CA . VAL A 1 531 ? 6.014 -20.093 -37.958 1.00 70.79 ? 529 VAL A CA 1 ATOM 4217 C C . VAL A 1 531 ? 5.906 -21.275 -36.997 1.00 78.77 ? 529 VAL A C 1 ATOM 4218 O O . VAL A 1 531 ? 4.924 -21.404 -36.263 1.00 79.39 ? 529 VAL A O 1 ATOM 4219 C CB . VAL A 1 531 ? 6.903 -18.974 -37.372 1.00 66.34 ? 529 VAL A CB 1 ATOM 4220 C CG1 . VAL A 1 531 ? 7.387 -19.319 -35.962 1.00 63.61 ? 529 VAL A CG1 1 ATOM 4221 C CG2 . VAL A 1 531 ? 8.056 -18.689 -38.291 1.00 70.25 ? 529 VAL A CG2 1 ATOM 4222 O OXT . VAL A 1 531 ? 6.786 -22.137 -36.943 1.00 83.90 ? 529 VAL A OXT 1 ATOM 4223 N N . ILE B 1 6 ? -40.365 40.613 -15.851 1.00 92.90 ? 4 ILE B N 1 ATOM 4224 C CA . ILE B 1 6 ? -40.629 40.802 -17.277 1.00 94.81 ? 4 ILE B CA 1 ATOM 4225 C C . ILE B 1 6 ? -41.129 39.505 -17.908 1.00 92.37 ? 4 ILE B C 1 ATOM 4226 O O . ILE B 1 6 ? -40.343 38.661 -18.339 0.0000 88.71 ? 4 ILE B O 1 ATOM 4227 C CB . ILE B 1 6 ? -39.391 41.302 -18.044 1.00 83.75 ? 4 ILE B CB 1 ATOM 4228 C CG1 . ILE B 1 6 ? -38.596 42.305 -17.203 0.0000 86.37 ? 4 ILE B CG1 1 ATOM 4229 C CG2 . ILE B 1 6 ? -39.817 41.921 -19.362 0.0000 83.04 ? 4 ILE B CG2 1 ATOM 4230 C CD1 . ILE B 1 6 ? -37.399 41.704 -16.489 0.0000 85.20 ? 4 ILE B CD1 1 ATOM 4231 N N . ILE B 1 7 ? -42.450 39.366 -17.955 1.00 93.05 ? 5 ILE B N 1 ATOM 4232 C CA . ILE B 1 7 ? -43.087 38.100 -18.287 1.00 88.28 ? 5 ILE B CA 1 ATOM 4233 C C . ILE B 1 7 ? -44.019 38.233 -19.488 1.00 87.87 ? 5 ILE B C 1 ATOM 4234 O O . ILE B 1 7 ? -44.714 39.242 -19.635 1.00 92.25 ? 5 ILE B O 1 ATOM 4235 C CB . ILE B 1 7 ? -43.891 37.577 -17.079 1.00 85.05 ? 5 ILE B CB 1 ATOM 4236 C CG1 . ILE B 1 7 ? -43.153 37.897 -15.780 1.00 83.87 ? 5 ILE B CG1 1 ATOM 4237 C CG2 . ILE B 1 7 ? -44.155 36.086 -17.203 1.00 80.25 ? 5 ILE B CG2 1 ATOM 4238 C CD1 . ILE B 1 7 ? -43.587 37.050 -14.616 1.00 90.20 ? 5 ILE B CD1 1 ATOM 4239 N N . ILE B 1 8 ? -44.032 37.207 -20.340 1.00 76.40 ? 6 ILE B N 1 ATOM 4240 C CA . ILE B 1 8 ? -44.858 37.198 -21.548 1.00 74.59 ? 6 ILE B CA 1 ATOM 4241 C C . ILE B 1 8 ? -45.600 35.870 -21.718 1.00 80.20 ? 6 ILE B C 1 ATOM 4242 O O . ILE B 1 8 ? -44.998 34.796 -21.621 1.00 79.00 ? 6 ILE B O 1 ATOM 4243 C CB . ILE B 1 8 ? -44.011 37.474 -22.822 1.00 63.47 ? 6 ILE B CB 1 ATOM 4244 C CG1 . ILE B 1 8 ? -43.581 38.941 -22.884 1.00 66.15 ? 6 ILE B CG1 1 ATOM 4245 C CG2 . ILE B 1 8 ? -44.784 37.112 -24.080 1.00 58.36 ? 6 ILE B CG2 1 ATOM 4246 C CD1 . ILE B 1 8 ? -44.742 39.928 -22.885 1.00 67.32 ? 6 ILE B CD1 1 ATOM 4247 N N . ALA B 1 9 ? -46.905 35.947 -21.973 1.00 83.34 ? 7 ALA B N 1 ATOM 4248 C CA . ALA B 1 9 ? -47.714 34.753 -22.213 1.00 83.75 ? 7 ALA B CA 1 ATOM 4249 C C . ALA B 1 9 ? -47.695 34.342 -23.683 1.00 86.65 ? 7 ALA B C 1 ATOM 4250 O O . ALA B 1 9 ? -48.270 35.016 -24.532 1.00 91.16 ? 7 ALA B O 1 ATOM 4251 C CB . ALA B 1 9 ? -49.148 34.977 -21.751 1.00 69.31 ? 7 ALA B CB 1 ATOM 4252 N N . THR B 1 10 ? -47.033 33.234 -23.986 1.00 86.76 ? 8 THR B N 1 ATOM 4253 C CA . THR B 1 10 ? -47.078 32.690 -25.333 1.00 86.88 ? 8 THR B CA 1 ATOM 4254 C C . THR B 1 10 ? -48.287 31.767 -25.435 1.00 92.39 ? 8 THR B C 1 ATOM 4255 O O . THR B 1 10 ? -49.046 31.632 -24.475 1.00 94.51 ? 8 THR B O 1 ATOM 4256 C CB . THR B 1 10 ? -45.806 31.903 -25.669 1.00 79.45 ? 8 THR B CB 1 ATOM 4257 O OG1 . THR B 1 10 ? -45.834 30.642 -24.992 1.00 78.33 ? 8 THR B OG1 1 ATOM 4258 C CG2 . THR B 1 10 ? -44.575 32.681 -25.239 1.00 77.68 ? 8 THR B CG2 1 ATOM 4259 N N . LYS B 1 11 ? -48.465 31.131 -26.590 1.00 93.54 ? 9 LYS B N 1 ATOM 4260 C CA . LYS B 1 11 ? -49.583 30.210 -26.787 1.00 96.03 ? 9 LYS B CA 1 ATOM 4261 C C . LYS B 1 11 ? -49.360 28.890 -26.049 1.00 97.99 ? 9 LYS B C 1 ATOM 4262 O O . LYS B 1 11 ? -50.254 28.044 -25.987 1.00 102.83 ? 9 LYS B O 1 ATOM 4263 C CB . LYS B 1 11 ? -49.832 29.949 -28.279 1.00 91.75 ? 9 LYS B CB 1 ATOM 4264 C CG . LYS B 1 11 ? -50.341 31.155 -29.055 1.00 96.26 ? 9 LYS B CG 1 ATOM 4265 C CD . LYS B 1 11 ? -51.640 31.690 -28.480 1.00 103.37 ? 9 LYS B CD 1 ATOM 4266 C CE . LYS B 1 11 ? -52.142 32.887 -29.271 1.00 107.66 ? 9 LYS B CE 1 ATOM 4267 N NZ . LYS B 1 11 ? -51.152 33.995 -29.285 1.00 106.96 ? 9 LYS B NZ 1 ATOM 4268 N N . ASN B 1 12 ? -48.167 28.726 -25.485 1.00 92.95 ? 10 ASN B N 1 ATOM 4269 C CA . ASN B 1 12 ? -47.818 27.506 -24.769 1.00 93.13 ? 10 ASN B CA 1 ATOM 4270 C C . ASN B 1 12 ? -47.566 27.738 -23.281 1.00 92.39 ? 10 ASN B C 1 ATOM 4271 O O . ASN B 1 12 ? -47.424 26.785 -22.514 1.00 97.21 ? 10 ASN B O 1 ATOM 4272 C CB . ASN B 1 12 ? -46.592 26.853 -25.406 1.00 96.34 ? 10 ASN B CB 1 ATOM 4273 C CG . ASN B 1 12 ? -46.767 26.619 -26.890 1.00 101.17 ? 10 ASN B CG 1 ATOM 4274 O OD1 . ASN B 1 12 ? -47.340 25.611 -27.302 1.00 100.84 ? 10 ASN B OD1 1 ATOM 4275 N ND2 . ASN B 1 12 ? -46.273 27.551 -27.705 1.00 102.58 ? 10 ASN B ND2 1 ATOM 4276 N N . GLY B 1 13 ? -47.509 29.004 -22.876 1.00 82.43 ? 11 GLY B N 1 ATOM 4277 C CA . GLY B 1 13 ? -47.261 29.349 -21.487 1.00 77.70 ? 11 GLY B CA 1 ATOM 4278 C C . GLY B 1 13 ? -46.494 30.647 -21.311 1.00 79.97 ? 11 GLY B C 1 ATOM 4279 O O . GLY B 1 13 ? -46.126 31.303 -22.287 1.00 82.85 ? 11 GLY B O 1 ATOM 4280 N N . LYS B 1 14 ? -46.251 31.018 -20.059 1.00 78.95 ? 12 LYS B N 1 ATOM 4281 C CA . LYS B 1 14 ? -45.513 32.238 -19.750 1.00 77.10 ? 12 LYS B CA 1 ATOM 4282 C C . LYS B 1 14 ? -44.004 32.012 -19.818 1.00 74.18 ? 12 LYS B C 1 ATOM 4283 O O . LYS B 1 14 ? -43.528 30.906 -19.563 1.00 73.89 ? 12 LYS B O 1 ATOM 4284 C CB . LYS B 1 14 ? -45.886 32.748 -18.355 1.00 76.72 ? 12 LYS B CB 1 ATOM 4285 C CG . LYS B 1 14 ? -47.356 33.075 -18.162 1.00 73.50 ? 12 LYS B CG 1 ATOM 4286 C CD . LYS B 1 14 ? -47.556 33.847 -16.867 1.00 77.47 ? 12 LYS B CD 1 ATOM 4287 C CE . LYS B 1 14 ? -49.033 34.053 -16.548 1.00 82.57 ? 12 LYS B CE 1 ATOM 4288 N NZ . LYS B 1 14 ? -49.229 34.969 -15.392 1.00 82.55 ? 12 LYS B NZ 1 ATOM 4289 N N . VAL B 1 15 ? -43.258 33.060 -20.165 1.00 74.18 ? 13 VAL B N 1 ATOM 4290 C CA . VAL B 1 15 ? -41.793 33.014 -20.135 1.00 72.95 ? 13 VAL B CA 1 ATOM 4291 C C . VAL B 1 15 ? -41.207 34.244 -19.433 1.00 72.77 ? 13 VAL B C 1 ATOM 4292 O O . VAL B 1 15 ? -41.574 35.388 -19.724 1.00 74.77 ? 13 VAL B O 1 ATOM 4293 C CB . VAL B 1 15 ? -41.158 32.871 -21.553 1.00 58.54 ? 13 VAL B CB 1 ATOM 4294 C CG1 . VAL B 1 15 ? -41.547 31.554 -22.184 1.00 56.34 ? 13 VAL B CG1 1 ATOM 4295 C CG2 . VAL B 1 15 ? -41.559 34.032 -22.449 1.00 59.55 ? 13 VAL B CG2 1 ATOM 4296 N N . ARG B 1 16 ? -40.299 34.004 -18.495 1.00 70.21 ? 14 ARG B N 1 ATOM 4297 C CA . ARG B 1 16 ? -39.648 35.105 -17.809 1.00 73.04 ? 14 ARG B CA 1 ATOM 4298 C C . ARG B 1 16 ? -38.413 35.492 -18.600 1.00 70.61 ? 14 ARG B C 1 ATOM 4299 O O . ARG B 1 16 ? -37.676 34.628 -19.071 1.00 71.22 ? 14 ARG B O 1 ATOM 4300 C CB . ARG B 1 16 ? -39.278 34.718 -16.375 1.00 71.24 ? 14 ARG B CB 1 ATOM 4301 C CG . ARG B 1 16 ? -38.864 35.890 -15.506 1.00 75.99 ? 14 ARG B CG 1 ATOM 4302 C CD . ARG B 1 16 ? -38.652 35.471 -14.048 1.00 90.54 ? 14 ARG B CD 1 ATOM 4303 N NE . ARG B 1 16 ? -39.899 35.116 -13.365 1.00 99.26 ? 14 ARG B NE 1 ATOM 4304 C CZ . ARG B 1 16 ? -40.356 33.874 -13.232 1.00 105.87 ? 14 ARG B CZ 1 ATOM 4305 N NH1 . ARG B 1 16 ? -39.674 32.854 -13.735 1.00 110.97 ? 14 ARG B NH1 1 ATOM 4306 N NH2 . ARG B 1 16 ? -41.497 33.647 -12.600 1.00 109.51 ? 14 ARG B NH2 1 ATOM 4307 N N . GLY B 1 17 ? -38.205 36.793 -18.760 1.00 69.45 ? 15 GLY B N 1 ATOM 4308 C CA . GLY B 1 17 ? -37.046 37.295 -19.468 1.00 66.88 ? 15 GLY B CA 1 ATOM 4309 C C . GLY B 1 17 ? -36.100 38.057 -18.561 1.00 74.83 ? 15 GLY B C 1 ATOM 4310 O O . GLY B 1 17 ? -36.268 38.080 -17.344 1.00 77.02 ? 15 GLY B O 1 ATOM 4311 N N . MET B 1 18 ? -35.094 38.679 -19.157 1.00 75.42 ? 16 MET B N 1 ATOM 4312 C CA . MET B 1 18 ? -34.122 39.440 -18.392 1.00 77.60 ? 16 MET B CA 1 ATOM 4313 C C . MET B 1 18 ? -33.892 40.793 -19.044 1.00 74.38 ? 16 MET B C 1 ATOM 4314 O O . MET B 1 18 ? -33.958 40.914 -20.266 1.00 79.51 ? 16 MET B O 1 ATOM 4315 C CB . MET B 1 18 ? -32.804 38.666 -18.282 1.00 76.40 ? 16 MET B CB 1 ATOM 4316 C CG . MET B 1 18 ? -32.284 38.123 -19.598 1.00 70.24 ? 16 MET B CG 1 ATOM 4317 S SD . MET B 1 18 ? -30.777 37.160 -19.377 1.00 90.89 ? 16 MET B SD 1 ATOM 4318 C CE . MET B 1 18 ? -29.778 38.319 -18.447 1.00 90.22 ? 16 MET B CE 1 ATOM 4319 N N . ASN B 1 19 ? -33.643 41.810 -18.227 1.00 73.39 ? 17 ASN B N 1 ATOM 4320 C CA . ASN B 1 19 ? -33.333 43.135 -18.742 1.00 76.28 ? 17 ASN B CA 1 ATOM 4321 C C . ASN B 1 19 ? -31.844 43.279 -18.990 1.00 69.63 ? 17 ASN B C 1 ATOM 4322 O O . ASN B 1 19 ? -31.032 43.048 -18.099 1.00 70.69 ? 17 ASN B O 1 ATOM 4323 C CB . ASN B 1 19 ? -33.829 44.235 -17.796 1.00 92.51 ? 17 ASN B CB 1 ATOM 4324 C CG . ASN B 1 19 ? -35.281 44.610 -18.049 1.00 111.42 ? 17 ASN B CG 1 ATOM 4325 O OD1 . ASN B 1 19 ? -36.025 43.851 -18.672 1.00 98.31 ? 17 ASN B OD1 1 ATOM 4326 N ND2 . ASN B 1 19 ? -35.684 45.804 -17.593 1.00 142.24 ? 17 ASN B ND2 1 ATOM 4327 N N . LEU B 1 20 ? -31.495 43.632 -20.220 1.00 67.95 ? 18 LEU B N 1 ATOM 4328 C CA . LEU B 1 20 ? -30.121 43.931 -20.577 1.00 61.49 ? 18 LEU B CA 1 ATOM 4329 C C . LEU B 1 20 ? -29.961 45.449 -20.681 1.00 68.00 ? 18 LEU B C 1 ATOM 4330 O O . LEU B 1 20 ? -30.855 46.149 -21.165 1.00 69.58 ? 18 LEU B O 1 ATOM 4331 C CB . LEU B 1 20 ? -29.769 43.288 -21.917 1.00 50.66 ? 18 LEU B CB 1 ATOM 4332 C CG . LEU B 1 20 ? -29.856 41.767 -22.044 1.00 56.68 ? 18 LEU B CG 1 ATOM 4333 C CD1 . LEU B 1 20 ? -29.229 41.322 -23.357 1.00 46.75 ? 18 LEU B CD1 1 ATOM 4334 C CD2 . LEU B 1 20 ? -29.186 41.067 -20.862 1.00 60.01 ? 18 LEU B CD2 1 ATOM 4335 N N . THR B 1 21 ? -28.827 45.959 -20.223 1.00 59.10 ? 19 THR B N 1 ATOM 4336 C CA . THR B 1 21 ? -28.526 47.365 -20.413 1.00 68.58 ? 19 THR B CA 1 ATOM 4337 C C . THR B 1 21 ? -27.641 47.494 -21.627 1.00 65.72 ? 19 THR B C 1 ATOM 4338 O O . THR B 1 21 ? -26.497 47.060 -21.591 1.00 56.92 ? 19 THR B O 1 ATOM 4339 C CB . THR B 1 21 ? -27.745 47.912 -19.234 1.00 75.33 ? 19 THR B CB 1 ATOM 4340 O OG1 . THR B 1 21 ? -26.618 47.053 -19.002 1.00 80.61 ? 19 THR B OG1 1 ATOM 4341 C CG2 . THR B 1 21 ? -28.627 47.962 -17.991 1.00 64.66 ? 19 THR B CG2 1 ATOM 4342 N N . VAL B 1 22 ? -28.164 48.094 -22.694 1.00 72.36 ? 20 VAL B N 1 ATOM 4343 C CA . VAL B 1 22 ? -27.400 48.270 -23.932 1.00 67.33 ? 20 VAL B CA 1 ATOM 4344 C C . VAL B 1 22 ? -27.290 49.736 -24.391 1.00 71.71 ? 20 VAL B C 1 ATOM 4345 O O . VAL B 1 22 ? -28.294 50.353 -24.764 1.00 73.45 ? 20 VAL B O 1 ATOM 4346 C CB . VAL B 1 22 ? -28.016 47.468 -25.084 1.00 55.05 ? 20 VAL B CB 1 ATOM 4347 C CG1 . VAL B 1 22 ? -27.129 47.567 -26.301 1.00 46.48 ? 20 VAL B CG1 1 ATOM 4348 C CG2 . VAL B 1 22 ? -28.237 46.021 -24.677 1.00 52.99 ? 20 VAL B CG2 1 ATOM 4349 N N . PHE B 1 23 ? -26.068 50.270 -24.381 1.00 63.56 ? 21 PHE B N 1 ATOM 4350 C CA . PHE B 1 23 ? -25.798 51.638 -24.839 1.00 71.55 ? 21 PHE B CA 1 ATOM 4351 C C . PHE B 1 23 ? -26.588 52.684 -24.056 1.00 85.22 ? 21 PHE B C 1 ATOM 4352 O O . PHE B 1 23 ? -27.067 53.669 -24.625 1.00 91.10 ? 21 PHE B O 1 ATOM 4353 C CB . PHE B 1 23 ? -26.083 51.809 -26.338 1.00 69.56 ? 21 PHE B CB 1 ATOM 4354 C CG . PHE B 1 23 ? -25.324 50.857 -27.218 1.00 68.85 ? 21 PHE B CG 1 ATOM 4355 C CD1 . PHE B 1 23 ? -24.153 50.263 -26.779 1.00 76.30 ? 21 PHE B CD1 1 ATOM 4356 C CD2 . PHE B 1 23 ? -25.782 50.562 -28.484 1.00 59.24 ? 21 PHE B CD2 1 ATOM 4357 C CE1 . PHE B 1 23 ? -23.462 49.380 -27.582 1.00 73.21 ? 21 PHE B CE1 1 ATOM 4358 C CE2 . PHE B 1 23 ? -25.091 49.686 -29.293 1.00 68.32 ? 21 PHE B CE2 1 ATOM 4359 C CZ . PHE B 1 23 ? -23.928 49.096 -28.842 1.00 69.62 ? 21 PHE B CZ 1 ATOM 4360 N N . GLY B 1 24 ? -26.733 52.464 -22.754 1.00 84.21 ? 22 GLY B N 1 ATOM 4361 C CA . GLY B 1 24 ? -27.446 53.401 -21.910 1.00 90.84 ? 22 GLY B CA 1 ATOM 4362 C C . GLY B 1 24 ? -28.934 53.126 -21.878 1.00 90.72 ? 22 GLY B C 1 ATOM 4363 O O . GLY B 1 24 ? -29.624 53.486 -20.923 1.00 90.41 ? 22 GLY B O 1 ATOM 4364 N N . GLY B 1 25 ? -29.431 52.488 -22.930 1.00 80.68 ? 23 GLY B N 1 ATOM 4365 C CA . GLY B 1 25 ? -30.824 52.103 -22.987 1.00 74.24 ? 23 GLY B CA 1 ATOM 4366 C C . GLY B 1 25 ? -30.994 50.704 -22.439 1.00 76.60 ? 23 GLY B C 1 ATOM 4367 O O . GLY B 1 25 ? -30.087 50.151 -21.807 1.00 78.45 ? 23 GLY B O 1 ATOM 4368 N N . THR B 1 26 ? -32.162 50.128 -22.692 1.00 73.38 ? 24 THR B N 1 ATOM 4369 C CA . THR B 1 26 ? -32.473 48.794 -22.213 1.00 72.42 ? 24 THR B CA 1 ATOM 4370 C C . THR B 1 26 ? -32.986 47.942 -23.360 1.00 73.25 ? 24 THR B C 1 ATOM 4371 O O . THR B 1 26 ? -33.707 48.420 -24.230 1.00 79.44 ? 24 THR B O 1 ATOM 4372 C CB . THR B 1 26 ? -33.526 48.838 -21.072 1.00 69.03 ? 24 THR B CB 1 ATOM 4373 O OG1 . THR B 1 26 ? -32.997 49.569 -19.958 1.00 75.52 ? 24 THR B OG1 1 ATOM 4374 C CG2 . THR B 1 26 ? -33.906 47.434 -20.610 1.00 62.77 ? 24 THR B CG2 1 ATOM 4375 N N . VAL B 1 27 ? -32.584 46.680 -23.372 1.00 68.19 ? 25 VAL B N 1 ATOM 4376 C CA . VAL B 1 27 ? -33.162 45.710 -24.276 1.00 62.48 ? 25 VAL B CA 1 ATOM 4377 C C . VAL B 1 27 ? -33.653 44.564 -23.410 1.00 63.95 ? 25 VAL B C 1 ATOM 4378 O O . VAL B 1 27 ? -33.005 44.205 -22.429 1.00 66.22 ? 25 VAL B O 1 ATOM 4379 C CB . VAL B 1 27 ? -32.122 45.192 -25.286 1.00 54.92 ? 25 VAL B CB 1 ATOM 4380 C CG1 . VAL B 1 27 ? -32.698 44.059 -26.123 1.00 51.01 ? 25 VAL B CG1 1 ATOM 4381 C CG2 . VAL B 1 27 ? -31.636 46.319 -26.170 1.00 49.48 ? 25 VAL B CG2 1 ATOM 4382 N N . THR B 1 28 ? -34.806 44.004 -23.754 1.00 58.05 ? 26 THR B N 1 ATOM 4383 C CA . THR B 1 28 ? -35.311 42.854 -23.030 1.00 64.23 ? 26 THR B CA 1 ATOM 4384 C C . THR B 1 28 ? -34.992 41.567 -23.791 1.00 63.61 ? 26 THR B C 1 ATOM 4385 O O . THR B 1 28 ? -35.337 41.432 -24.961 1.00 62.32 ? 26 THR B O 1 ATOM 4386 C CB . THR B 1 28 ? -36.821 42.955 -22.802 1.00 70.87 ? 26 THR B CB 1 ATOM 4387 O OG1 . THR B 1 28 ? -37.156 44.276 -22.355 1.00 78.99 ? 26 THR B OG1 1 ATOM 4388 C CG2 . THR B 1 28 ? -37.250 41.945 -21.762 1.00 69.16 ? 26 THR B CG2 1 ATOM 4389 N N . ALA B 1 29 ? -34.327 40.624 -23.133 1.00 61.49 ? 27 ALA B N 1 ATOM 4390 C CA . ALA B 1 29 ? -33.968 39.376 -23.803 1.00 58.66 ? 27 ALA B CA 1 ATOM 4391 C C . ALA B 1 29 ? -34.662 38.146 -23.211 1.00 60.26 ? 27 ALA B C 1 ATOM 4392 O O . ALA B 1 29 ? -34.861 38.039 -21.994 1.00 60.04 ? 27 ALA B O 1 ATOM 4393 C CB . ALA B 1 29 ? -32.446 39.184 -23.844 1.00 46.62 ? 27 ALA B CB 1 ATOM 4394 N N . PHE B 1 30 ? -35.036 37.233 -24.098 1.00 54.81 ? 28 PHE B N 1 ATOM 4395 C CA . PHE B 1 30 ? -35.646 35.970 -23.717 1.00 59.58 ? 28 PHE B CA 1 ATOM 4396 C C . PHE B 1 30 ? -34.838 34.848 -24.347 1.00 54.85 ? 28 PHE B C 1 ATOM 4397 O O . PHE B 1 30 ? -35.050 34.522 -25.503 1.00 55.14 ? 28 PHE B O 1 ATOM 4398 C CB . PHE B 1 30 ? -37.075 35.896 -24.250 1.00 61.56 ? 28 PHE B CB 1 ATOM 4399 C CG . PHE B 1 30 ? -37.999 36.916 -23.658 1.00 58.12 ? 28 PHE B CG 1 ATOM 4400 C CD1 . PHE B 1 30 ? -38.723 36.629 -22.512 1.00 60.66 ? 28 PHE B CD1 1 ATOM 4401 C CD2 . PHE B 1 30 ? -38.158 38.158 -24.259 1.00 59.27 ? 28 PHE B CD2 1 ATOM 4402 C CE1 . PHE B 1 30 ? -39.579 37.568 -21.964 1.00 64.76 ? 28 PHE B CE1 1 ATOM 4403 C CE2 . PHE B 1 30 ? -39.004 39.093 -23.731 1.00 61.07 ? 28 PHE B CE2 1 ATOM 4404 C CZ . PHE B 1 30 ? -39.720 38.800 -22.574 1.00 69.99 ? 28 PHE B CZ 1 ATOM 4405 N N . LEU B 1 31 ? -33.910 34.266 -23.595 1.00 57.94 ? 29 LEU B N 1 ATOM 4406 C CA . LEU B 1 31 ? -33.006 33.246 -24.138 1.00 52.93 ? 29 LEU B CA 1 ATOM 4407 C C . LEU B 1 31 ? -33.460 31.809 -23.841 1.00 50.62 ? 29 LEU B C 1 ATOM 4408 O O . LEU B 1 31 ? -33.777 31.462 -22.695 1.00 50.23 ? 29 LEU B O 1 ATOM 4409 C CB . LEU B 1 31 ? -31.591 33.455 -23.593 1.00 51.96 ? 29 LEU B CB 1 ATOM 4410 C CG . LEU B 1 31 ? -31.009 34.868 -23.614 1.00 45.76 ? 29 LEU B CG 1 ATOM 4411 C CD1 . LEU B 1 31 ? -29.568 34.836 -23.161 1.00 48.06 ? 29 LEU B CD1 1 ATOM 4412 C CD2 . LEU B 1 31 ? -31.119 35.473 -25.000 1.00 46.53 ? 29 LEU B CD2 1 ATOM 4413 N N . GLY B 1 32 ? -33.485 30.976 -24.875 1.00 51.68 ? 30 GLY B N 1 ATOM 4414 C CA . GLY B 1 32 ? -33.798 29.569 -24.702 1.00 52.45 ? 30 GLY B CA 1 ATOM 4415 C C . GLY B 1 32 ? -35.259 29.287 -24.400 1.00 55.31 ? 30 GLY B C 1 ATOM 4416 O O . GLY B 1 32 ? -35.584 28.664 -23.391 1.00 53.73 ? 30 GLY B O 1 ATOM 4417 N N . ILE B 1 33 ? -36.145 29.767 -25.265 1.00 52.67 ? 31 ILE B N 1 ATOM 4418 C CA . ILE B 1 33 ? -37.543 29.367 -25.215 1.00 55.26 ? 31 ILE B CA 1 ATOM 4419 C C . ILE B 1 33 ? -37.697 28.083 -26.029 1.00 56.90 ? 31 ILE B C 1 ATOM 4420 O O . ILE B 1 33 ? -37.240 28.010 -27.171 1.00 57.41 ? 31 ILE B O 1 ATOM 4421 C CB . ILE B 1 33 ? -38.453 30.443 -25.825 1.00 53.78 ? 31 ILE B CB 1 ATOM 4422 C CG1 . ILE B 1 33 ? -38.157 31.810 -25.202 1.00 56.46 ? 31 ILE B CG1 1 ATOM 4423 C CG2 . ILE B 1 33 ? -39.918 30.056 -25.664 1.00 42.65 ? 31 ILE B CG2 1 ATOM 4424 C CD1 . ILE B 1 33 ? -38.702 32.962 -26.000 1.00 55.91 ? 31 ILE B CD1 1 ATOM 4425 N N . PRO B 1 34 ? -38.317 27.053 -25.445 1.00 51.41 ? 32 PRO B N 1 ATOM 4426 C CA . PRO B 1 34 ? -38.490 25.855 -26.265 1.00 50.47 ? 32 PRO B CA 1 ATOM 4427 C C . PRO B 1 34 ? -39.546 26.106 -27.338 1.00 53.02 ? 32 PRO B C 1 ATOM 4428 O O . PRO B 1 34 ? -40.534 26.779 -27.053 1.00 56.15 ? 32 PRO B O 1 ATOM 4429 C CB . PRO B 1 34 ? -38.958 24.801 -25.256 1.00 47.67 ? 32 PRO B CB 1 ATOM 4430 C CG . PRO B 1 34 ? -39.574 25.580 -24.138 1.00 50.22 ? 32 PRO B CG 1 ATOM 4431 C CD . PRO B 1 34 ? -38.820 26.881 -24.071 1.00 55.03 ? 32 PRO B CD 1 ATOM 4432 N N . TYR B 1 35 ? -39.326 25.598 -28.550 1.00 46.17 ? 33 TYR B N 1 ATOM 4433 C CA . TYR B 1 35 ? -40.295 25.763 -29.632 1.00 44.92 ? 33 TYR B CA 1 ATOM 4434 C C . TYR B 1 35 ? -40.771 24.440 -30.240 1.00 46.54 ? 33 TYR B C 1 ATOM 4435 O O . TYR B 1 35 ? -41.701 24.424 -31.046 1.00 51.70 ? 33 TYR B O 1 ATOM 4436 C CB . TYR B 1 35 ? -39.758 26.704 -30.718 1.00 44.90 ? 33 TYR B CB 1 ATOM 4437 C CG . TYR B 1 35 ? -38.635 26.154 -31.575 1.00 40.42 ? 33 TYR B CG 1 ATOM 4438 C CD1 . TYR B 1 35 ? -38.910 25.384 -32.697 1.00 47.47 ? 33 TYR B CD1 1 ATOM 4439 C CD2 . TYR B 1 35 ? -37.310 26.447 -31.293 1.00 37.56 ? 33 TYR B CD2 1 ATOM 4440 C CE1 . TYR B 1 35 ? -37.899 24.892 -33.490 1.00 51.00 ? 33 TYR B CE1 1 ATOM 4441 C CE2 . TYR B 1 35 ? -36.293 25.971 -32.086 1.00 41.48 ? 33 TYR B CE2 1 ATOM 4442 C CZ . TYR B 1 35 ? -36.593 25.188 -33.187 1.00 47.74 ? 33 TYR B CZ 1 ATOM 4443 O OH . TYR B 1 35 ? -35.592 24.692 -33.992 1.00 44.98 ? 33 TYR B OH 1 ATOM 4444 N N . ALA B 1 36 ? -40.118 23.344 -29.862 1.00 45.07 ? 34 ALA B N 1 ATOM 4445 C CA . ALA B 1 36 ? -40.570 22.001 -30.213 1.00 50.11 ? 34 ALA B CA 1 ATOM 4446 C C . ALA B 1 36 ? -40.290 21.037 -29.065 1.00 49.49 ? 34 ALA B C 1 ATOM 4447 O O . ALA B 1 36 ? -39.619 21.394 -28.097 1.00 50.69 ? 34 ALA B O 1 ATOM 4448 C CB . ALA B 1 36 ? -39.889 21.526 -31.460 1.00 48.04 ? 34 ALA B CB 1 ATOM 4449 N N . GLN B 1 37 ? -40.813 19.820 -29.171 1.00 50.68 ? 35 GLN B N 1 ATOM 4450 C CA . GLN B 1 37 ? -40.486 18.764 -28.216 1.00 54.54 ? 35 GLN B CA 1 ATOM 4451 C C . GLN B 1 37 ? -39.057 18.293 -28.435 1.00 48.67 ? 35 GLN B C 1 ATOM 4452 O O . GLN B 1 37 ? -38.595 18.236 -29.573 1.00 53.77 ? 35 GLN B O 1 ATOM 4453 C CB . GLN B 1 37 ? -41.415 17.574 -28.389 1.00 58.92 ? 35 GLN B CB 1 ATOM 4454 C CG . GLN B 1 37 ? -42.868 17.891 -28.216 1.00 69.54 ? 35 GLN B CG 1 ATOM 4455 C CD . GLN B 1 37 ? -43.690 16.634 -28.159 1.00 73.76 ? 35 GLN B CD 1 ATOM 4456 O OE1 . GLN B 1 37 ? -43.321 15.679 -27.475 1.00 77.42 ? 35 GLN B OE1 1 ATOM 4457 N NE2 . GLN B 1 37 ? -44.796 16.608 -28.896 1.00 73.57 ? 35 GLN B NE2 1 ATOM 4458 N N . PRO B 1 38 ? -38.351 17.966 -27.345 1.00 40.35 ? 36 PRO B N 1 ATOM 4459 C CA . PRO B 1 38 ? -36.970 17.478 -27.446 1.00 44.59 ? 36 PRO B CA 1 ATOM 4460 C C . PRO B 1 38 ? -36.875 16.238 -28.331 1.00 48.79 ? 36 PRO B C 1 ATOM 4461 O O . PRO B 1 38 ? -37.484 15.217 -28.022 1.00 53.70 ? 36 PRO B O 1 ATOM 4462 C CB . PRO B 1 38 ? -36.609 17.144 -25.995 1.00 42.64 ? 36 PRO B CB 1 ATOM 4463 C CG . PRO B 1 38 ? -37.483 18.056 -25.179 1.00 38.84 ? 36 PRO B CG 1 ATOM 4464 C CD . PRO B 1 38 ? -38.764 18.191 -25.948 1.00 34.48 ? 36 PRO B CD 1 ATOM 4465 N N . PRO B 1 39 ? -36.117 16.333 -29.433 1.00 45.67 ? 37 PRO B N 1 ATOM 4466 C CA . PRO B 1 39 ? -36.027 15.235 -30.406 1.00 48.09 ? 37 PRO B CA 1 ATOM 4467 C C . PRO B 1 39 ? -35.230 14.016 -29.903 1.00 50.34 ? 37 PRO B C 1 ATOM 4468 O O . PRO B 1 39 ? -34.228 13.658 -30.520 1.00 47.25 ? 37 PRO B O 1 ATOM 4469 C CB . PRO B 1 39 ? -35.321 15.890 -31.594 1.00 43.63 ? 37 PRO B CB 1 ATOM 4470 C CG . PRO B 1 39 ? -34.495 17.008 -30.972 1.00 41.60 ? 37 PRO B CG 1 ATOM 4471 C CD . PRO B 1 39 ? -35.327 17.512 -29.835 1.00 41.55 ? 37 PRO B CD 1 ATOM 4472 N N . LEU B 1 40 ? -35.688 13.390 -28.818 1.00 45.44 ? 38 LEU B N 1 ATOM 4473 C CA . LEU B 1 40 ? -34.961 12.298 -28.169 1.00 49.93 ? 38 LEU B CA 1 ATOM 4474 C C . LEU B 1 40 ? -35.648 10.950 -28.350 1.00 53.57 ? 38 LEU B C 1 ATOM 4475 O O . LEU B 1 40 ? -36.855 10.886 -28.605 1.00 58.00 ? 38 LEU B O 1 ATOM 4476 C CB . LEU B 1 40 ? -34.839 12.561 -26.669 1.00 51.04 ? 38 LEU B CB 1 ATOM 4477 C CG . LEU B 1 40 ? -34.444 13.957 -26.196 1.00 61.40 ? 38 LEU B CG 1 ATOM 4478 C CD1 . LEU B 1 40 ? -34.401 14.002 -24.671 1.00 59.15 ? 38 LEU B CD1 1 ATOM 4479 C CD2 . LEU B 1 40 ? -33.106 14.373 -26.784 1.00 63.63 ? 38 LEU B CD2 1 ATOM 4480 N N . GLY B 1 41 ? -34.878 9.876 -28.185 1.00 47.68 ? 39 GLY B N 1 ATOM 4481 C CA . GLY B 1 41 ? -35.419 8.523 -28.204 1.00 38.67 ? 39 GLY B CA 1 ATOM 4482 C C . GLY B 1 41 ? -36.061 8.141 -29.525 1.00 46.27 ? 39 GLY B C 1 ATOM 4483 O O . GLY B 1 41 ? -35.412 8.153 -30.572 1.00 41.85 ? 39 GLY B O 1 ATOM 4484 N N . ARG B 1 42 ? -37.349 7.808 -29.479 1.00 55.96 ? 40 ARG B N 1 ATOM 4485 C CA . ARG B 1 42 ? -38.092 7.466 -30.685 1.00 56.02 ? 40 ARG B CA 1 ATOM 4486 C C . ARG B 1 42 ? -38.157 8.659 -31.643 1.00 58.60 ? 40 ARG B C 1 ATOM 4487 O O . ARG B 1 42 ? -38.414 8.493 -32.836 1.00 66.27 ? 40 ARG B O 1 ATOM 4488 C CB . ARG B 1 42 ? -39.501 6.972 -30.324 1.00 64.12 ? 40 ARG B CB 1 ATOM 4489 C CG . ARG B 1 42 ? -40.541 8.083 -30.137 1.00 78.06 ? 40 ARG B CG 1 ATOM 4490 C CD . ARG B 1 42 ? -41.657 7.710 -29.146 1.00 84.91 ? 40 ARG B CD 1 ATOM 4491 N NE . ARG B 1 42 ? -42.844 8.562 -29.288 1.00 91.83 ? 40 ARG B NE 1 ATOM 4492 C CZ . ARG B 1 42 ? -43.067 9.685 -28.601 1.00 96.75 ? 40 ARG B CZ 1 ATOM 4493 N NH1 . ARG B 1 42 ? -42.185 10.118 -27.707 1.00 93.30 ? 40 ARG B NH1 1 ATOM 4494 N NH2 . ARG B 1 42 ? -44.180 10.381 -28.809 1.00 98.31 ? 40 ARG B NH2 1 ATOM 4495 N N . LEU B 1 43 ? -37.901 9.857 -31.121 1.00 55.32 ? 41 LEU B N 1 ATOM 4496 C CA . LEU B 1 43 ? -38.029 11.090 -31.902 1.00 51.45 ? 41 LEU B CA 1 ATOM 4497 C C . LEU B 1 43 ? -36.757 11.525 -32.652 1.00 47.04 ? 41 LEU B C 1 ATOM 4498 O O . LEU B 1 43 ? -36.787 12.474 -33.433 1.00 41.81 ? 41 LEU B O 1 ATOM 4499 C CB . LEU B 1 43 ? -38.560 12.239 -31.021 1.00 55.84 ? 41 LEU B CB 1 ATOM 4500 C CG . LEU B 1 43 ? -40.040 12.209 -30.591 1.00 58.49 ? 41 LEU B CG 1 ATOM 4501 C CD1 . LEU B 1 43 ? -40.435 13.490 -29.861 1.00 54.70 ? 41 LEU B CD1 1 ATOM 4502 C CD2 . LEU B 1 43 ? -40.975 11.967 -31.773 1.00 52.78 ? 41 LEU B CD2 1 ATOM 4503 N N . ARG B 1 44 ? -35.640 10.844 -32.427 1.00 52.10 ? 42 ARG B N 1 ATOM 4504 C CA . ARG B 1 44 ? -34.419 11.176 -33.158 1.00 44.47 ? 42 ARG B CA 1 ATOM 4505 C C . ARG B 1 44 ? -34.601 10.814 -34.626 1.00 49.93 ? 42 ARG B C 1 ATOM 4506 O O . ARG B 1 44 ? -35.149 9.754 -34.935 1.00 54.15 ? 42 ARG B O 1 ATOM 4507 C CB . ARG B 1 44 ? -33.222 10.445 -32.562 1.00 40.32 ? 42 ARG B CB 1 ATOM 4508 C CG . ARG B 1 44 ? -31.945 10.602 -33.330 1.00 31.77 ? 42 ARG B CG 1 ATOM 4509 C CD . ARG B 1 44 ? -30.925 9.557 -32.901 1.00 31.02 ? 42 ARG B CD 1 ATOM 4510 N NE . ARG B 1 44 ? -30.283 9.873 -31.630 1.00 32.67 ? 42 ARG B NE 1 ATOM 4511 C CZ . ARG B 1 44 ? -29.363 9.106 -31.047 1.00 40.97 ? 42 ARG B CZ 1 ATOM 4512 N NH1 . ARG B 1 44 ? -28.979 7.969 -31.612 1.00 41.29 ? 42 ARG B NH1 1 ATOM 4513 N NH2 . ARG B 1 44 ? -28.825 9.472 -29.894 1.00 41.19 ? 42 ARG B NH2 1 ATOM 4514 N N . PHE B 1 45 ? -34.162 11.719 -35.505 1.00 50.74 ? 43 PHE B N 1 ATOM 4515 C CA . PHE B 1 45 ? -34.272 11.609 -36.969 1.00 43.82 ? 43 PHE B CA 1 ATOM 4516 C C . PHE B 1 45 ? -35.635 12.001 -37.552 1.00 42.86 ? 43 PHE B C 1 ATOM 4517 O O . PHE B 1 45 ? -35.746 12.212 -38.753 1.00 43.03 ? 43 PHE B O 1 ATOM 4518 C CB . PHE B 1 45 ? -33.842 10.225 -37.493 1.00 40.00 ? 43 PHE B CB 1 ATOM 4519 C CG . PHE B 1 45 ? -32.440 9.843 -37.129 1.00 39.38 ? 43 PHE B CG 1 ATOM 4520 C CD1 . PHE B 1 45 ? -31.396 10.758 -37.258 1.00 40.82 ? 43 PHE B CD1 1 ATOM 4521 C CD2 . PHE B 1 45 ? -32.163 8.573 -36.630 1.00 34.65 ? 43 PHE B CD2 1 ATOM 4522 C CE1 . PHE B 1 45 ? -30.097 10.401 -36.907 1.00 40.05 ? 43 PHE B CE1 1 ATOM 4523 C CE2 . PHE B 1 45 ? -30.874 8.205 -36.278 1.00 27.49 ? 43 PHE B CE2 1 ATOM 4524 C CZ . PHE B 1 45 ? -29.836 9.111 -36.417 1.00 33.80 ? 43 PHE B CZ 1 ATOM 4525 N N . LYS B 1 46 ? -36.666 12.076 -36.711 1.00 47.91 ? 44 LYS B N 1 ATOM 4526 C CA . LYS B 1 46 ? -38.003 12.508 -37.140 1.00 40.83 ? 44 LYS B CA 1 ATOM 4527 C C . LYS B 1 46 ? -38.145 14.040 -37.218 1.00 36.83 ? 44 LYS B C 1 ATOM 4528 O O . LYS B 1 46 ? -37.375 14.778 -36.602 1.00 37.66 ? 44 LYS B O 1 ATOM 4529 C CB . LYS B 1 46 ? -39.058 11.980 -36.172 1.00 43.58 ? 44 LYS B CB 1 ATOM 4530 C CG . LYS B 1 46 ? -39.457 10.548 -36.392 1.00 55.67 ? 44 LYS B CG 1 ATOM 4531 C CD . LYS B 1 46 ? -40.826 10.288 -35.800 1.00 60.33 ? 44 LYS B CD 1 ATOM 4532 C CE . LYS B 1 46 ? -41.130 8.818 -35.809 1.00 69.24 ? 44 LYS B CE 1 ATOM 4533 N NZ . LYS B 1 46 ? -40.009 8.064 -35.175 1.00 71.97 ? 44 LYS B NZ 1 ATOM 4534 N N . LYS B 1 47 ? -39.148 14.506 -37.959 1.00 39.57 ? 45 LYS B N 1 ATOM 4535 C CA . LYS B 1 47 ? -39.481 15.935 -38.018 1.00 40.06 ? 45 LYS B CA 1 ATOM 4536 C C . LYS B 1 47 ? -39.895 16.449 -36.640 1.00 42.74 ? 45 LYS B C 1 ATOM 4537 O O . LYS B 1 47 ? -40.385 15.678 -35.821 1.00 47.98 ? 45 LYS B O 1 ATOM 4538 C CB . LYS B 1 47 ? -40.592 16.175 -39.045 1.00 38.94 ? 45 LYS B CB 1 ATOM 4539 C CG . LYS B 1 47 ? -40.233 15.676 -40.430 1.00 41.28 ? 45 LYS B CG 1 ATOM 4540 C CD . LYS B 1 47 ? -40.949 16.446 -41.509 1.00 46.08 ? 45 LYS B CD 1 ATOM 4541 C CE . LYS B 1 47 ? -42.441 16.324 -41.399 1.00 48.00 ? 45 LYS B CE 1 ATOM 4542 N NZ . LYS B 1 47 ? -43.104 17.028 -42.525 1.00 51.97 ? 45 LYS B NZ 1 ATOM 4543 N N . PRO B 1 48 ? -39.676 17.745 -36.368 1.00 47.08 ? 46 PRO B N 1 ATOM 4544 C CA . PRO B 1 48 ? -39.971 18.285 -35.030 1.00 44.48 ? 46 PRO B CA 1 ATOM 4545 C C . PRO B 1 48 ? -41.460 18.236 -34.686 1.00 53.28 ? 46 PRO B C 1 ATOM 4546 O O . PRO B 1 48 ? -42.303 18.667 -35.486 1.00 48.33 ? 46 PRO B O 1 ATOM 4547 C CB . PRO B 1 48 ? -39.499 19.746 -35.124 1.00 37.82 ? 46 PRO B CB 1 ATOM 4548 C CG . PRO B 1 48 ? -39.542 20.066 -36.593 1.00 43.55 ? 46 PRO B CG 1 ATOM 4549 C CD . PRO B 1 48 ? -39.163 18.783 -37.284 1.00 48.10 ? 46 PRO B CD 1 ATOM 4550 N N . GLN B 1 49 ? -41.773 17.709 -33.503 1.00 52.77 ? 47 GLN B N 1 ATOM 4551 C CA . GLN B 1 49 ? -43.151 17.606 -33.051 1.00 55.59 ? 47 GLN B CA 1 ATOM 4552 C C . GLN B 1 49 ? -43.527 18.876 -32.338 1.00 54.98 ? 47 GLN B C 1 ATOM 4553 O O . GLN B 1 49 ? -42.757 19.377 -31.527 1.00 48.24 ? 47 GLN B O 1 ATOM 4554 C CB . GLN B 1 49 ? -43.328 16.415 -32.111 1.00 61.15 ? 47 GLN B CB 1 ATOM 4555 C CG . GLN B 1 49 ? -43.137 15.090 -32.787 1.00 62.74 ? 47 GLN B CG 1 ATOM 4556 C CD . GLN B 1 49 ? -43.993 14.965 -34.025 1.00 73.08 ? 47 GLN B CD 1 ATOM 4557 O OE1 . GLN B 1 49 ? -45.223 15.084 -33.965 1.00 79.72 ? 47 GLN B OE1 1 ATOM 4558 N NE2 . GLN B 1 49 ? -43.346 14.740 -35.167 1.00 67.54 ? 47 GLN B NE2 1 ATOM 4559 N N . SER B 1 50 ? -44.713 19.392 -32.651 1.00 68.60 ? 48 SER B N 1 ATOM 4560 C CA . SER B 1 50 ? -45.239 20.592 -32.004 1.00 68.32 ? 48 SER B CA 1 ATOM 4561 C C . SER B 1 50 ? -45.264 20.428 -30.482 1.00 65.99 ? 48 SER B C 1 ATOM 4562 O O . SER B 1 50 ? -45.411 19.325 -29.959 1.00 57.80 ? 48 SER B O 1 ATOM 4563 C CB . SER B 1 50 ? -46.637 20.937 -32.542 1.00 73.94 ? 48 SER B CB 1 ATOM 4564 O OG . SER B 1 50 ? -46.606 21.255 -33.929 1.00 72.45 ? 48 SER B OG 1 ATOM 4565 N N . LEU B 1 51 ? -45.108 21.540 -29.780 1.00 75.56 ? 49 LEU B N 1 ATOM 4566 C CA . LEU B 1 51 ? -44.962 21.534 -28.331 1.00 74.47 ? 49 LEU B CA 1 ATOM 4567 C C . LEU B 1 51 ? -46.321 21.625 -27.648 1.00 84.92 ? 49 LEU B C 1 ATOM 4568 O O . LEU B 1 51 ? -47.276 22.145 -28.232 1.00 89.04 ? 49 LEU B O 1 ATOM 4569 C CB . LEU B 1 51 ? -44.090 22.721 -27.936 1.00 66.18 ? 49 LEU B CB 1 ATOM 4570 C CG . LEU B 1 51 ? -43.561 22.903 -26.525 1.00 63.57 ? 49 LEU B CG 1 ATOM 4571 C CD1 . LEU B 1 51 ? -42.853 21.650 -26.039 1.00 58.42 ? 49 LEU B CD1 1 ATOM 4572 C CD2 . LEU B 1 51 ? -42.622 24.109 -26.522 1.00 63.23 ? 49 LEU B CD2 1 ATOM 4573 N N . THR B 1 52 ? -46.420 21.110 -26.423 1.00 88.27 ? 50 THR B N 1 ATOM 4574 C CA . THR B 1 52 ? -47.658 21.244 -25.651 1.00 97.30 ? 50 THR B CA 1 ATOM 4575 C C . THR B 1 52 ? -47.461 22.126 -24.415 1.00 101.66 ? 50 THR B C 1 ATOM 4576 O O . THR B 1 52 ? -46.347 22.242 -23.909 1.00 107.52 ? 50 THR B O 1 ATOM 4577 C CB . THR B 1 52 ? -48.282 19.873 -25.262 1.00 72.86 ? 50 THR B CB 1 ATOM 4578 O OG1 . THR B 1 52 ? -49.466 20.097 -24.493 1.00 65.14 ? 50 THR B OG1 1 ATOM 4579 C CG2 . THR B 1 52 ? -47.302 19.014 -24.460 1.00 74.40 ? 50 THR B CG2 1 ATOM 4580 N N . LYS B 1 53 ? -48.547 22.739 -23.947 1.00 100.41 ? 51 LYS B N 1 ATOM 4581 C CA . LYS B 1 53 ? -48.527 23.736 -22.866 1.00 101.08 ? 51 LYS B CA 1 ATOM 4582 C C . LYS B 1 53 ? -47.744 23.299 -21.617 1.00 106.95 ? 51 LYS B C 1 ATOM 4583 O O . LYS B 1 53 ? -47.610 22.106 -21.350 1.00 112.23 ? 51 LYS B O 1 ATOM 4584 C CB . LYS B 1 53 ? -49.970 24.101 -22.490 0.0000 103.45 ? 51 LYS B CB 1 ATOM 4585 C CG . LYS B 1 53 ? -50.134 25.377 -21.675 0.0000 104.12 ? 51 LYS B CG 1 ATOM 4586 C CD . LYS B 1 53 ? -50.339 25.079 -20.198 0.0000 105.48 ? 51 LYS B CD 1 ATOM 4587 C CE . LYS B 1 53 ? -50.602 26.354 -19.412 0.0000 107.30 ? 51 LYS B CE 1 ATOM 4588 N NZ . LYS B 1 53 ? -49.474 27.319 -19.529 0.0000 104.38 ? 51 LYS B NZ 1 ATOM 4589 N N . TRP B 1 54 ? -47.216 24.265 -20.863 1.00 106.77 ? 52 TRP B N 1 ATOM 4590 C CA . TRP B 1 54 ? -46.541 23.970 -19.594 1.00 101.19 ? 52 TRP B CA 1 ATOM 4591 C C . TRP B 1 54 ? -47.113 24.786 -18.429 1.00 101.74 ? 52 TRP B C 1 ATOM 4592 O O . TRP B 1 54 ? -47.472 25.956 -18.588 1.00 97.18 ? 52 TRP B O 1 ATOM 4593 C CB . TRP B 1 54 ? -45.021 24.157 -19.704 1.00 94.06 ? 52 TRP B CB 1 ATOM 4594 C CG . TRP B 1 54 ? -44.582 25.569 -19.970 1.00 90.38 ? 52 TRP B CG 1 ATOM 4595 C CD1 . TRP B 1 54 ? -44.532 26.593 -19.073 1.00 89.93 ? 52 TRP B CD1 1 ATOM 4596 C CD2 . TRP B 1 54 ? -44.107 26.103 -21.214 1.00 89.38 ? 52 TRP B CD2 1 ATOM 4597 N NE1 . TRP B 1 54 ? -44.068 27.735 -19.682 1.00 86.26 ? 52 TRP B NE1 1 ATOM 4598 C CE2 . TRP B 1 54 ? -43.802 27.460 -20.996 1.00 84.78 ? 52 TRP B CE2 1 ATOM 4599 C CE3 . TRP B 1 54 ? -43.917 25.566 -22.492 1.00 86.76 ? 52 TRP B CE3 1 ATOM 4600 C CZ2 . TRP B 1 54 ? -43.318 28.286 -22.005 1.00 86.60 ? 52 TRP B CZ2 1 ATOM 4601 C CZ3 . TRP B 1 54 ? -43.436 26.388 -23.491 1.00 81.17 ? 52 TRP B CZ3 1 ATOM 4602 C CH2 . TRP B 1 54 ? -43.143 27.731 -23.244 1.00 83.67 ? 52 TRP B CH2 1 ATOM 4603 N N . SER B 1 55 ? -47.182 24.154 -17.259 1.00 106.78 ? 53 SER B N 1 ATOM 4604 C CA . SER B 1 55 ? -47.865 24.718 -16.093 1.00 109.41 ? 53 SER B CA 1 ATOM 4605 C C . SER B 1 55 ? -47.222 25.996 -15.559 1.00 106.80 ? 53 SER B C 1 ATOM 4606 O O . SER B 1 55 ? -47.803 27.074 -15.649 1.00 102.90 ? 53 SER B O 1 ATOM 4607 C CB . SER B 1 55 ? -47.955 23.675 -14.976 0.0000 111.69 ? 53 SER B CB 1 ATOM 4608 O OG . SER B 1 55 ? -48.609 24.204 -13.835 0.0000 116.16 ? 53 SER B OG 1 ATOM 4609 N N . ASP B 1 56 ? -46.022 25.869 -15.002 1.00 106.72 ? 54 ASP B N 1 ATOM 4610 C CA . ASP B 1 56 ? -45.359 26.995 -14.354 1.00 102.78 ? 54 ASP B CA 1 ATOM 4611 C C . ASP B 1 56 ? -44.792 27.980 -15.368 1.00 97.53 ? 54 ASP B C 1 ATOM 4612 O O . ASP B 1 56 ? -45.243 28.041 -16.510 1.00 92.95 ? 54 ASP B O 1 ATOM 4613 C CB . ASP B 1 56 ? -44.253 26.503 -13.418 0.0000 102.69 ? 54 ASP B CB 1 ATOM 4614 C CG . ASP B 1 56 ? -43.188 25.703 -14.142 0.0000 98.80 ? 54 ASP B CG 1 ATOM 4615 O OD1 . ASP B 1 56 ? -43.519 25.049 -15.154 0.0000 96.95 ? 54 ASP B OD1 1 ATOM 4616 O OD2 . ASP B 1 56 ? -42.021 25.728 -13.699 0.0000 97.81 ? 54 ASP B OD2 1 ATOM 4617 N N . ILE B 1 57 ? -43.808 28.761 -14.937 1.00 95.60 ? 55 ILE B N 1 ATOM 4618 C CA . ILE B 1 57 ? -43.171 29.735 -15.811 1.00 88.23 ? 55 ILE B CA 1 ATOM 4619 C C . ILE B 1 57 ? -41.796 29.258 -16.248 1.00 78.83 ? 55 ILE B C 1 ATOM 4620 O O . ILE B 1 57 ? -40.975 28.838 -15.430 1.00 69.78 ? 55 ILE B O 1 ATOM 4621 C CB . ILE B 1 57 ? -43.033 31.113 -15.140 1.00 91.60 ? 55 ILE B CB 1 ATOM 4622 C CG1 . ILE B 1 57 ? -44.405 31.746 -14.932 1.00 98.18 ? 55 ILE B CG1 1 ATOM 4623 C CG2 . ILE B 1 57 ? -42.181 32.039 -15.987 1.00 88.45 ? 55 ILE B CG2 1 ATOM 4624 C CD1 . ILE B 1 57 ? -44.342 33.189 -14.479 1.00 101.11 ? 55 ILE B CD1 1 ATOM 4625 N N . TRP B 1 58 ? -41.560 29.318 -17.553 1.00 78.48 ? 56 TRP B N 1 ATOM 4626 C CA . TRP B 1 58 ? -40.262 28.997 -18.108 1.00 72.23 ? 56 TRP B CA 1 ATOM 4627 C C . TRP B 1 58 ? -39.331 30.179 -17.923 1.00 71.92 ? 56 TRP B C 1 ATOM 4628 O O . TRP B 1 58 ? -39.649 31.295 -18.327 1.00 63.41 ? 56 TRP B O 1 ATOM 4629 C CB . TRP B 1 58 ? -40.388 28.684 -19.592 1.00 70.18 ? 56 TRP B CB 1 ATOM 4630 C CG . TRP B 1 58 ? -39.103 28.253 -20.193 1.00 66.96 ? 56 TRP B CG 1 ATOM 4631 C CD1 . TRP B 1 58 ? -38.121 29.056 -20.699 1.00 65.08 ? 56 TRP B CD1 1 ATOM 4632 C CD2 . TRP B 1 58 ? -38.645 26.909 -20.347 1.00 61.71 ? 56 TRP B CD2 1 ATOM 4633 N NE1 . TRP B 1 58 ? -37.079 28.289 -21.159 1.00 66.89 ? 56 TRP B NE1 1 ATOM 4634 C CE2 . TRP B 1 58 ? -37.377 26.967 -20.955 1.00 59.00 ? 56 TRP B CE2 1 ATOM 4635 C CE3 . TRP B 1 58 ? -39.185 25.659 -20.028 1.00 62.96 ? 56 TRP B CE3 1 ATOM 4636 C CZ2 . TRP B 1 58 ? -36.642 25.826 -21.255 1.00 60.03 ? 56 TRP B CZ2 1 ATOM 4637 C CZ3 . TRP B 1 58 ? -38.453 24.528 -20.320 1.00 61.05 ? 56 TRP B CZ3 1 ATOM 4638 C CH2 . TRP B 1 58 ? -37.196 24.617 -20.933 1.00 61.20 ? 56 TRP B CH2 1 ATOM 4639 N N . ASN B 1 59 ? -38.186 29.935 -17.301 1.00 78.46 ? 57 ASN B N 1 ATOM 4640 C CA . ASN B 1 59 ? -37.180 30.972 -17.157 1.00 81.60 ? 57 ASN B CA 1 ATOM 4641 C C . ASN B 1 59 ? -36.353 31.060 -18.419 1.00 73.93 ? 57 ASN B C 1 ATOM 4642 O O . ASN B 1 59 ? -35.515 30.200 -18.671 1.00 71.93 ? 57 ASN B O 1 ATOM 4643 C CB . ASN B 1 59 ? -36.267 30.678 -15.975 1.00 94.75 ? 57 ASN B CB 1 ATOM 4644 C CG . ASN B 1 59 ? -36.771 31.277 -14.696 1.00 112.57 ? 57 ASN B CG 1 ATOM 4645 O OD1 . ASN B 1 59 ? -37.884 31.796 -14.645 1.00 110.01 ? 57 ASN B OD1 1 ATOM 4646 N ND2 . ASN B 1 59 ? -35.951 31.208 -13.645 1.00 137.40 ? 57 ASN B ND2 1 ATOM 4647 N N . ALA B 1 60 ? -36.599 32.092 -19.219 1.00 72.12 ? 58 ALA B N 1 ATOM 4648 C CA . ALA B 1 60 ? -35.839 32.296 -20.447 1.00 64.72 ? 58 ALA B CA 1 ATOM 4649 C C . ALA B 1 60 ? -34.708 33.273 -20.178 1.00 58.37 ? 58 ALA B C 1 ATOM 4650 O O . ALA B 1 60 ? -34.644 34.347 -20.767 1.00 49.79 ? 58 ALA B O 1 ATOM 4651 C CB . ALA B 1 60 ? -36.736 32.801 -21.568 1.00 55.53 ? 58 ALA B CB 1 ATOM 4652 N N . THR B 1 61 ? -33.806 32.874 -19.292 1.00 54.86 ? 59 THR B N 1 ATOM 4653 C CA . THR B 1 61 ? -32.774 33.771 -18.799 1.00 54.95 ? 59 THR B CA 1 ATOM 4654 C C . THR B 1 61 ? -31.356 33.315 -19.103 1.00 47.15 ? 59 THR B C 1 ATOM 4655 O O . THR B 1 61 ? -30.403 33.951 -18.682 1.00 52.77 ? 59 THR B O 1 ATOM 4656 C CB . THR B 1 61 ? -32.901 33.960 -17.282 1.00 59.88 ? 59 THR B CB 1 ATOM 4657 O OG1 . THR B 1 61 ? -33.111 32.680 -16.669 1.00 61.98 ? 59 THR B OG1 1 ATOM 4658 C CG2 . THR B 1 61 ? -34.071 34.878 -16.966 1.00 53.50 ? 59 THR B CG2 1 ATOM 4659 N N . LYS B 1 62 ? -31.203 32.217 -19.828 1.00 47.27 ? 60 LYS B N 1 ATOM 4660 C CA . LYS B 1 62 ? -29.868 31.834 -20.273 1.00 46.64 ? 60 LYS B CA 1 ATOM 4661 C C . LYS B 1 62 ? -29.969 31.047 -21.553 1.00 45.38 ? 60 LYS B C 1 ATOM 4662 O O . LYS B 1 62 ? -30.945 30.335 -21.759 1.00 59.25 ? 60 LYS B O 1 ATOM 4663 C CB . LYS B 1 62 ? -29.105 31.062 -19.187 1.00 49.58 ? 60 LYS B CB 1 ATOM 4664 C CG . LYS B 1 62 ? -29.547 29.619 -18.953 1.00 56.25 ? 60 LYS B CG 1 ATOM 4665 C CD . LYS B 1 62 ? -28.925 29.081 -17.666 1.00 60.75 ? 60 LYS B CD 1 ATOM 4666 C CE . LYS B 1 62 ? -28.842 27.556 -17.643 1.00 72.93 ? 60 LYS B CE 1 ATOM 4667 N NZ . LYS B 1 62 ? -30.164 26.870 -17.656 1.00 76.36 ? 60 LYS B NZ 1 ATOM 4668 N N . TYR B 1 63 ? -28.981 31.207 -22.423 1.00 38.60 ? 61 TYR B N 1 ATOM 4669 C CA . TYR B 1 63 ? -28.924 30.430 -23.660 1.00 44.79 ? 61 TYR B CA 1 ATOM 4670 C C . TYR B 1 63 ? -29.121 28.937 -23.412 1.00 45.33 ? 61 TYR B C 1 ATOM 4671 O O . TYR B 1 63 ? -28.685 28.395 -22.390 1.00 47.01 ? 61 TYR B O 1 ATOM 4672 C CB . TYR B 1 63 ? -27.581 30.624 -24.347 1.00 34.77 ? 61 TYR B CB 1 ATOM 4673 C CG . TYR B 1 63 ? -27.395 31.955 -25.026 1.00 41.57 ? 61 TYR B CG 1 ATOM 4674 C CD1 . TYR B 1 63 ? -28.194 32.324 -26.098 1.00 46.20 ? 61 TYR B CD1 1 ATOM 4675 C CD2 . TYR B 1 63 ? -26.379 32.822 -24.636 1.00 39.33 ? 61 TYR B CD2 1 ATOM 4676 C CE1 . TYR B 1 63 ? -28.000 33.528 -26.751 1.00 46.81 ? 61 TYR B CE1 1 ATOM 4677 C CE2 . TYR B 1 63 ? -26.183 34.021 -25.278 1.00 41.18 ? 61 TYR B CE2 1 ATOM 4678 C CZ . TYR B 1 63 ? -26.994 34.372 -26.337 1.00 49.14 ? 61 TYR B CZ 1 ATOM 4679 O OH . TYR B 1 63 ? -26.804 35.570 -26.988 1.00 53.33 ? 61 TYR B OH 1 ATOM 4680 N N . ALA B 1 64 ? -29.773 28.274 -24.356 1.00 41.72 ? 62 ALA B N 1 ATOM 4681 C CA . ALA B 1 64 ? -30.028 26.842 -24.232 1.00 44.90 ? 62 ALA B CA 1 ATOM 4682 C C . ALA B 1 64 ? -28.851 25.969 -24.688 1.00 47.30 ? 62 ALA B C 1 ATOM 4683 O O . ALA B 1 64 ? -27.779 26.460 -25.052 1.00 42.55 ? 62 ALA B O 1 ATOM 4684 C CB . ALA B 1 64 ? -31.282 26.462 -24.997 1.00 39.58 ? 62 ALA B CB 1 ATOM 4685 N N . ASN B 1 65 ? -29.071 24.663 -24.653 1.00 42.53 ? 63 ASN B N 1 ATOM 4686 C CA . ASN B 1 65 ? -28.092 23.718 -25.136 1.00 41.93 ? 63 ASN B CA 1 ATOM 4687 C C . ASN B 1 65 ? -27.899 23.942 -26.613 1.00 37.91 ? 63 ASN B C 1 ATOM 4688 O O . ASN B 1 65 ? -28.856 24.195 -27.339 1.00 32.05 ? 63 ASN B O 1 ATOM 4689 C CB . ASN B 1 65 ? -28.567 22.274 -24.906 1.00 49.13 ? 63 ASN B CB 1 ATOM 4690 C CG . ASN B 1 65 ? -28.673 21.911 -23.429 1.00 51.12 ? 63 ASN B CG 1 ATOM 4691 O OD1 . ASN B 1 65 ? -27.792 22.241 -22.633 1.00 46.25 ? 63 ASN B OD1 1 ATOM 4692 N ND2 . ASN B 1 65 ? -29.761 21.232 -23.059 1.00 47.60 ? 63 ASN B ND2 1 ATOM 4693 N N . SER B 1 66 ? -26.659 23.861 -27.066 1.00 38.81 ? 64 SER B N 1 ATOM 4694 C CA . SER B 1 66 ? -26.422 23.774 -28.496 1.00 35.75 ? 64 SER B CA 1 ATOM 4695 C C . SER B 1 66 ? -26.652 22.322 -28.956 1.00 39.65 ? 64 SER B C 1 ATOM 4696 O O . SER B 1 66 ? -26.481 21.373 -28.185 1.00 37.66 ? 64 SER B O 1 ATOM 4697 C CB . SER B 1 66 ? -25.015 24.262 -28.850 1.00 25.92 ? 64 SER B CB 1 ATOM 4698 O OG . SER B 1 66 ? -24.839 25.606 -28.432 1.00 38.15 ? 64 SER B OG 1 ATOM 4699 N N . CYS B 1 67 ? -27.056 22.183 -30.213 1.00 38.73 ? 65 CYS B N 1 ATOM 4700 C CA . CYS B 1 67 ? -27.284 20.900 -30.856 1.00 37.17 ? 65 CYS B CA 1 ATOM 4701 C C . CYS B 1 67 ? -25.986 20.136 -31.091 1.00 44.14 ? 65 CYS B C 1 ATOM 4702 O O . CYS B 1 67 ? -24.934 20.728 -31.373 1.00 34.45 ? 65 CYS B O 1 ATOM 4703 C CB . CYS B 1 67 ? -28.011 21.105 -32.184 1.00 37.50 ? 65 CYS B CB 1 ATOM 4704 S SG . CYS B 1 67 ? -29.715 21.735 -32.018 1.00 50.27 ? 65 CYS B SG 1 ATOM 4705 N N . CYS B 1 68 ? -26.090 18.813 -30.970 1.00 40.29 ? 66 CYS B N 1 ATOM 4706 C CA . CYS B 1 68 ? -24.965 17.911 -31.118 1.00 32.06 ? 66 CYS B CA 1 ATOM 4707 C C . CYS B 1 68 ? -24.222 18.160 -32.419 1.00 32.68 ? 66 CYS B C 1 ATOM 4708 O O . CYS B 1 68 ? -24.833 18.252 -33.491 1.00 34.91 ? 66 CYS B O 1 ATOM 4709 C CB . CYS B 1 68 ? -25.445 16.451 -31.044 1.00 35.24 ? 66 CYS B CB 1 ATOM 4710 S SG . CYS B 1 68 ? -25.839 15.871 -29.373 1.00 50.89 ? 66 CYS B SG 1 ATOM 4711 N N . GLN B 1 69 ? -22.902 18.246 -32.323 1.00 23.98 ? 67 GLN B N 1 ATOM 4712 C CA . GLN B 1 69 ? -22.085 18.571 -33.488 1.00 29.48 ? 67 GLN B CA 1 ATOM 4713 C C . GLN B 1 69 ? -20.616 18.326 -33.205 1.00 32.64 ? 67 GLN B C 1 ATOM 4714 O O . GLN B 1 69 ? -20.160 18.422 -32.066 1.00 34.70 ? 67 GLN B O 1 ATOM 4715 C CB . GLN B 1 69 ? -22.270 20.045 -33.877 1.00 22.02 ? 67 GLN B CB 1 ATOM 4716 C CG . GLN B 1 69 ? -21.860 21.049 -32.771 1.00 30.88 ? 67 GLN B CG 1 ATOM 4717 C CD . GLN B 1 69 ? -22.262 22.475 -33.110 1.00 34.83 ? 67 GLN B CD 1 ATOM 4718 O OE1 . GLN B 1 69 ? -21.450 23.274 -33.594 1.00 35.93 ? 67 GLN B OE1 1 ATOM 4719 N NE2 . GLN B 1 69 ? -23.528 22.792 -32.886 1.00 27.74 ? 67 GLN B NE2 1 ATOM 4720 N N . ASN B 1 70 ? -19.867 18.035 -34.250 1.00 28.00 ? 68 ASN B N 1 ATOM 4721 C CA . ASN B 1 70 ? -18.420 18.027 -34.135 1.00 29.95 ? 68 ASN B CA 1 ATOM 4722 C C . ASN B 1 70 ? -17.846 19.416 -33.849 1.00 28.94 ? 68 ASN B C 1 ATOM 4723 O O . ASN B 1 70 ? -18.358 20.421 -34.328 1.00 38.30 ? 68 ASN B O 1 ATOM 4724 C CB . ASN B 1 70 ? -17.808 17.415 -35.392 1.00 33.04 ? 68 ASN B CB 1 ATOM 4725 C CG . ASN B 1 70 ? -17.981 15.902 -35.434 1.00 33.79 ? 68 ASN B CG 1 ATOM 4726 O OD1 . ASN B 1 70 ? -17.395 15.188 -34.628 1.00 45.63 ? 68 ASN B OD1 1 ATOM 4727 N ND2 . ASN B 1 70 ? -18.785 15.418 -36.364 1.00 32.37 ? 68 ASN B ND2 1 ATOM 4728 N N . ILE B 1 71 ? -16.788 19.459 -33.050 1.00 43.24 ? 69 ILE B N 1 ATOM 4729 C CA . ILE B 1 71 ? -16.131 20.706 -32.671 1.00 39.66 ? 69 ILE B CA 1 ATOM 4730 C C . ILE B 1 71 ? -14.871 20.874 -33.514 1.00 40.35 ? 69 ILE B C 1 ATOM 4731 O O . ILE B 1 71 ? -14.162 19.901 -33.792 1.00 40.64 ? 69 ILE B O 1 ATOM 4732 C CB . ILE B 1 71 ? -15.731 20.682 -31.180 1.00 45.66 ? 69 ILE B CB 1 ATOM 4733 C CG1 . ILE B 1 71 ? -16.950 20.371 -30.309 1.00 41.68 ? 69 ILE B CG1 1 ATOM 4734 C CG2 . ILE B 1 71 ? -15.069 21.994 -30.756 1.00 47.38 ? 69 ILE B CG2 1 ATOM 4735 C CD1 . ILE B 1 71 ? -18.114 21.250 -30.604 1.00 46.49 ? 69 ILE B CD1 1 ATOM 4736 N N . ASP B 1 72 ? -14.608 22.103 -33.948 1.00 38.11 ? 70 ASP B N 1 ATOM 4737 C CA . ASP B 1 72 ? -13.377 22.400 -34.666 1.00 34.26 ? 70 ASP B CA 1 ATOM 4738 C C . ASP B 1 72 ? -12.227 22.592 -33.683 1.00 39.34 ? 70 ASP B C 1 ATOM 4739 O O . ASP B 1 72 ? -12.146 23.609 -32.976 1.00 38.72 ? 70 ASP B O 1 ATOM 4740 C CB . ASP B 1 72 ? -13.557 23.634 -35.547 1.00 30.63 ? 70 ASP B CB 1 ATOM 4741 C CG . ASP B 1 72 ? -12.281 24.053 -36.259 1.00 39.59 ? 70 ASP B CG 1 ATOM 4742 O OD1 . ASP B 1 72 ? -11.227 23.376 -36.137 1.00 46.38 ? 70 ASP B OD1 1 ATOM 4743 O OD2 . ASP B 1 72 ? -12.349 25.069 -36.983 1.00 44.01 ? 70 ASP B OD2 1 ATOM 4744 N N . GLN B 1 73 ? -11.329 21.611 -33.659 1.00 23.87 ? 71 GLN B N 1 ATOM 4745 C CA . GLN B 1 73 ? -10.183 21.652 -32.765 1.00 21.75 ? 71 GLN B CA 1 ATOM 4746 C C . GLN B 1 73 ? -8.869 21.510 -33.526 1.00 31.33 ? 71 GLN B C 1 ATOM 4747 O O . GLN B 1 73 ? -7.876 21.039 -32.975 1.00 34.62 ? 71 GLN B O 1 ATOM 4748 C CB . GLN B 1 73 ? -10.323 20.622 -31.633 1.00 23.26 ? 71 GLN B CB 1 ATOM 4749 C CG . GLN B 1 73 ? -11.594 20.823 -30.840 1.00 32.72 ? 71 GLN B CG 1 ATOM 4750 C CD . GLN B 1 73 ? -11.761 19.841 -29.707 1.00 48.92 ? 71 GLN B CD 1 ATOM 4751 O OE1 . GLN B 1 73 ? -11.795 18.636 -29.918 1.00 57.33 ? 71 GLN B OE1 1 ATOM 4752 N NE2 . GLN B 1 73 ? -11.871 20.357 -28.489 1.00 60.78 ? 71 GLN B NE2 1 ATOM 4753 N N . SER B 1 74 ? -8.870 21.951 -34.784 1.00 31.57 ? 72 SER B N 1 ATOM 4754 C CA . SER B 1 74 ? -7.650 22.031 -35.597 1.00 38.24 ? 72 SER B CA 1 ATOM 4755 C C . SER B 1 74 ? -6.573 22.957 -35.018 1.00 41.97 ? 72 SER B C 1 ATOM 4756 O O . SER B 1 74 ? -5.371 22.688 -35.165 1.00 38.84 ? 72 SER B O 1 ATOM 4757 C CB . SER B 1 74 ? -7.972 22.481 -37.023 1.00 37.72 ? 72 SER B CB 1 ATOM 4758 O OG . SER B 1 74 ? -9.074 21.768 -37.538 1.00 48.66 ? 72 SER B OG 1 ATOM 4759 N N . PHE B 1 75 ? -6.994 24.045 -34.374 1.00 33.97 ? 73 PHE B N 1 ATOM 4760 C CA . PHE B 1 75 ? -6.027 24.969 -33.753 1.00 41.15 ? 73 PHE B CA 1 ATOM 4761 C C . PHE B 1 75 ? -6.378 25.283 -32.300 1.00 39.46 ? 73 PHE B C 1 ATOM 4762 O O . PHE B 1 75 ? -7.005 26.307 -32.012 1.00 41.39 ? 73 PHE B O 1 ATOM 4763 C CB . PHE B 1 75 ? -5.912 26.276 -34.562 1.00 40.35 ? 73 PHE B CB 1 ATOM 4764 C CG . PHE B 1 75 ? -5.858 26.065 -36.055 1.00 32.50 ? 73 PHE B CG 1 ATOM 4765 C CD1 . PHE B 1 75 ? -4.663 25.738 -36.684 1.00 28.33 ? 73 PHE B CD1 1 ATOM 4766 C CD2 . PHE B 1 75 ? -7.008 26.188 -36.827 1.00 27.98 ? 73 PHE B CD2 1 ATOM 4767 C CE1 . PHE B 1 75 ? -4.615 25.536 -38.058 1.00 28.85 ? 73 PHE B CE1 1 ATOM 4768 C CE2 . PHE B 1 75 ? -6.972 25.983 -38.209 1.00 31.80 ? 73 PHE B CE2 1 ATOM 4769 C CZ . PHE B 1 75 ? -5.779 25.661 -38.823 1.00 26.81 ? 73 PHE B CZ 1 ATOM 4770 N N . PRO B 1 76 ? -5.987 24.394 -31.380 1.00 45.33 ? 74 PRO B N 1 ATOM 4771 C CA . PRO B 1 76 ? -6.271 24.566 -29.946 1.00 48.90 ? 74 PRO B CA 1 ATOM 4772 C C . PRO B 1 76 ? -5.782 25.899 -29.397 1.00 50.19 ? 74 PRO B C 1 ATOM 4773 O O . PRO B 1 76 ? -4.597 26.223 -29.516 1.00 57.78 ? 74 PRO B O 1 ATOM 4774 C CB . PRO B 1 76 ? -5.498 23.413 -29.292 1.00 44.64 ? 74 PRO B CB 1 ATOM 4775 C CG . PRO B 1 76 ? -5.455 22.359 -30.341 1.00 47.40 ? 74 PRO B CG 1 ATOM 4776 C CD . PRO B 1 76 ? -5.380 23.082 -31.671 1.00 47.73 ? 74 PRO B CD 1 ATOM 4777 N N . GLY B 1 77 ? -6.695 26.669 -28.814 1.00 49.89 ? 75 GLY B N 1 ATOM 4778 C CA . GLY B 1 77 ? -6.338 27.922 -28.170 1.00 55.91 ? 75 GLY B CA 1 ATOM 4779 C C . GLY B 1 77 ? -6.339 29.128 -29.094 1.00 51.89 ? 75 GLY B C 1 ATOM 4780 O O . GLY B 1 77 ? -5.964 30.227 -28.677 1.00 50.98 ? 75 GLY B O 1 ATOM 4781 N N . PHE B 1 78 ? -6.754 28.918 -30.345 1.00 42.50 ? 76 PHE B N 1 ATOM 4782 C CA . PHE B 1 78 ? -6.759 29.977 -31.350 1.00 36.26 ? 76 PHE B CA 1 ATOM 4783 C C . PHE B 1 78 ? -8.152 30.564 -31.523 1.00 37.38 ? 76 PHE B C 1 ATOM 4784 O O . PHE B 1 78 ? -9.099 29.862 -31.910 1.00 36.18 ? 76 PHE B O 1 ATOM 4785 C CB . PHE B 1 78 ? -6.219 29.472 -32.691 1.00 37.45 ? 76 PHE B CB 1 ATOM 4786 C CG . PHE B 1 78 ? -6.340 30.472 -33.812 1.00 41.95 ? 76 PHE B CG 1 ATOM 4787 C CD1 . PHE B 1 78 ? -5.697 31.717 -33.732 1.00 43.15 ? 76 PHE B CD1 1 ATOM 4788 C CD2 . PHE B 1 78 ? -7.093 30.176 -34.949 1.00 39.67 ? 76 PHE B CD2 1 ATOM 4789 C CE1 . PHE B 1 78 ? -5.803 32.652 -34.768 1.00 38.29 ? 76 PHE B CE1 1 ATOM 4790 C CE2 . PHE B 1 78 ? -7.208 31.097 -35.995 1.00 42.51 ? 76 PHE B CE2 1 ATOM 4791 C CZ . PHE B 1 78 ? -6.564 32.342 -35.906 1.00 42.80 ? 76 PHE B CZ 1 ATOM 4792 N N . HIS B 1 79 ? -8.263 31.861 -31.240 1.00 37.76 ? 77 HIS B N 1 ATOM 4793 C CA . HIS B 1 79 ? -9.548 32.550 -31.217 1.00 37.30 ? 77 HIS B CA 1 ATOM 4794 C C . HIS B 1 79 ? -10.252 32.525 -32.570 1.00 39.67 ? 77 HIS B C 1 ATOM 4795 O O . HIS B 1 79 ? -11.478 32.504 -32.646 1.00 38.91 ? 77 HIS B O 1 ATOM 4796 C CB . HIS B 1 79 ? -9.381 33.993 -30.739 1.00 41.61 ? 77 HIS B CB 1 ATOM 4797 C CG . HIS B 1 79 ? -10.666 34.760 -30.704 1.00 42.53 ? 77 HIS B CG 1 ATOM 4798 N ND1 . HIS B 1 79 ? -11.737 34.376 -29.927 1.00 39.71 ? 77 HIS B ND1 1 ATOM 4799 C CD2 . HIS B 1 79 ? -11.060 35.875 -31.362 1.00 44.03 ? 77 HIS B CD2 1 ATOM 4800 C CE1 . HIS B 1 79 ? -12.734 35.224 -30.100 1.00 37.45 ? 77 HIS B CE1 1 ATOM 4801 N NE2 . HIS B 1 79 ? -12.351 36.142 -30.969 1.00 45.00 ? 77 HIS B NE2 1 ATOM 4802 N N . GLY B 1 80 ? -9.476 32.517 -33.646 1.00 39.29 ? 78 GLY B N 1 ATOM 4803 C CA . GLY B 1 80 ? -10.072 32.491 -34.968 1.00 29.44 ? 78 GLY B CA 1 ATOM 4804 C C . GLY B 1 80 ? -10.886 31.252 -35.280 1.00 33.80 ? 78 GLY B C 1 ATOM 4805 O O . GLY B 1 80 ? -11.882 31.337 -35.991 1.00 33.55 ? 78 GLY B O 1 ATOM 4806 N N . SER B 1 81 ? -10.448 30.085 -34.805 1.00 45.45 ? 79 SER B N 1 ATOM 4807 C CA . SER B 1 81 ? -11.241 28.870 -35.006 1.00 34.90 ? 79 SER B CA 1 ATOM 4808 C C . SER B 1 81 ? -12.241 28.673 -33.877 1.00 35.16 ? 79 SER B C 1 ATOM 4809 O O . SER B 1 81 ? -13.375 28.290 -34.127 1.00 37.22 ? 79 SER B O 1 ATOM 4810 C CB . SER B 1 81 ? -10.379 27.619 -35.213 1.00 31.19 ? 79 SER B CB 1 ATOM 4811 O OG . SER B 1 81 ? -9.245 27.613 -34.369 1.00 40.23 ? 79 SER B OG 1 ATOM 4812 N N . GLU B 1 82 ? -11.841 28.980 -32.645 1.00 39.01 ? 80 GLU B N 1 ATOM 4813 C CA . GLU B 1 82 ? -12.677 28.657 -31.491 1.00 42.94 ? 80 GLU B CA 1 ATOM 4814 C C . GLU B 1 82 ? -13.921 29.534 -31.346 1.00 44.70 ? 80 GLU B C 1 ATOM 4815 O O . GLU B 1 82 ? -14.896 29.130 -30.708 1.00 42.37 ? 80 GLU B O 1 ATOM 4816 C CB . GLU B 1 82 ? -11.845 28.629 -30.204 1.00 43.62 ? 80 GLU B CB 1 ATOM 4817 C CG . GLU B 1 82 ? -10.864 27.465 -30.190 1.00 48.77 ? 80 GLU B CG 1 ATOM 4818 C CD . GLU B 1 82 ? -10.016 27.387 -28.931 1.00 58.30 ? 80 GLU B CD 1 ATOM 4819 O OE1 . GLU B 1 82 ? -10.068 28.318 -28.096 1.00 59.06 ? 80 GLU B OE1 1 ATOM 4820 O OE2 . GLU B 1 82 ? -9.282 26.385 -28.788 1.00 55.97 ? 80 GLU B OE2 1 ATOM 4821 N N . MET B 1 83 ? -13.901 30.716 -31.959 1.00 35.80 ? 81 MET B N 1 ATOM 4822 C CA . MET B 1 83 ? -15.048 31.614 -31.873 1.00 41.03 ? 81 MET B CA 1 ATOM 4823 C C . MET B 1 83 ? -16.294 31.042 -32.563 1.00 43.19 ? 81 MET B C 1 ATOM 4824 O O . MET B 1 83 ? -17.396 31.536 -32.369 1.00 40.87 ? 81 MET B O 1 ATOM 4825 C CB . MET B 1 83 ? -14.708 32.993 -32.450 1.00 40.77 ? 81 MET B CB 1 ATOM 4826 C CG . MET B 1 83 ? -14.422 32.984 -33.941 1.00 38.94 ? 81 MET B CG 1 ATOM 4827 S SD . MET B 1 83 ? -13.832 34.584 -34.571 1.00 39.75 ? 81 MET B SD 1 ATOM 4828 C CE . MET B 1 83 ? -15.419 35.387 -34.819 1.00 25.25 ? 81 MET B CE 1 ATOM 4829 N N . TRP B 1 84 ? -16.122 30.000 -33.364 1.00 42.16 ? 82 TRP B N 1 ATOM 4830 C CA . TRP B 1 84 ? -17.257 29.414 -34.072 1.00 42.84 ? 82 TRP B CA 1 ATOM 4831 C C . TRP B 1 84 ? -17.808 28.193 -33.349 1.00 39.82 ? 82 TRP B C 1 ATOM 4832 O O . TRP B 1 84 ? -18.900 27.725 -33.661 1.00 32.77 ? 82 TRP B O 1 ATOM 4833 C CB . TRP B 1 84 ? -16.886 29.080 -35.517 1.00 27.43 ? 82 TRP B CB 1 ATOM 4834 C CG . TRP B 1 84 ? -16.357 30.279 -36.240 1.00 35.47 ? 82 TRP B CG 1 ATOM 4835 C CD1 . TRP B 1 84 ? -15.051 30.540 -36.552 1.00 40.55 ? 82 TRP B CD1 1 ATOM 4836 C CD2 . TRP B 1 84 ? -17.113 31.412 -36.701 1.00 30.08 ? 82 TRP B CD2 1 ATOM 4837 N NE1 . TRP B 1 84 ? -14.953 31.753 -37.193 1.00 40.69 ? 82 TRP B NE1 1 ATOM 4838 C CE2 . TRP B 1 84 ? -16.204 32.308 -37.295 1.00 36.13 ? 82 TRP B CE2 1 ATOM 4839 C CE3 . TRP B 1 84 ? -18.469 31.755 -36.667 1.00 38.87 ? 82 TRP B CE3 1 ATOM 4840 C CZ2 . TRP B 1 84 ? -16.609 33.525 -37.860 1.00 30.07 ? 82 TRP B CZ2 1 ATOM 4841 C CZ3 . TRP B 1 84 ? -18.871 32.965 -37.236 1.00 36.33 ? 82 TRP B CZ3 1 ATOM 4842 C CH2 . TRP B 1 84 ? -17.940 33.831 -37.821 1.00 32.44 ? 82 TRP B CH2 1 ATOM 4843 N N . ASN B 1 85 ? -17.050 27.700 -32.374 1.00 33.19 ? 83 ASN B N 1 ATOM 4844 C CA . ASN B 1 85 ? -17.460 26.530 -31.602 1.00 37.34 ? 83 ASN B CA 1 ATOM 4845 C C . ASN B 1 85 ? -18.573 26.925 -30.640 1.00 39.69 ? 83 ASN B C 1 ATOM 4846 O O . ASN B 1 85 ? -18.645 28.079 -30.234 1.00 30.72 ? 83 ASN B O 1 ATOM 4847 C CB . ASN B 1 85 ? -16.267 25.939 -30.834 1.00 29.35 ? 83 ASN B CB 1 ATOM 4848 C CG . ASN B 1 85 ? -15.201 25.380 -31.755 1.00 32.25 ? 83 ASN B CG 1 ATOM 4849 O OD1 . ASN B 1 85 ? -15.497 24.901 -32.853 1.00 35.09 ? 83 ASN B OD1 1 ATOM 4850 N ND2 . ASN B 1 85 ? -13.956 25.436 -31.312 1.00 33.57 ? 83 ASN B ND2 1 ATOM 4851 N N . PRO B 1 86 ? -19.451 25.970 -30.285 1.00 38.24 ? 84 PRO B N 1 ATOM 4852 C CA . PRO B 1 86 ? -20.579 26.231 -29.382 1.00 34.66 ? 84 PRO B CA 1 ATOM 4853 C C . PRO B 1 86 ? -20.108 26.703 -28.019 1.00 41.09 ? 84 PRO B C 1 ATOM 4854 O O . PRO B 1 86 ? -19.093 26.227 -27.523 1.00 41.06 ? 84 PRO B O 1 ATOM 4855 C CB . PRO B 1 86 ? -21.237 24.862 -29.232 1.00 33.23 ? 84 PRO B CB 1 ATOM 4856 C CG . PRO B 1 86 ? -20.776 24.080 -30.376 1.00 36.40 ? 84 PRO B CG 1 ATOM 4857 C CD . PRO B 1 86 ? -19.426 24.576 -30.747 1.00 33.33 ? 84 PRO B CD 1 ATOM 4858 N N . ASN B 1 87 ? -20.857 27.620 -27.417 1.00 41.41 ? 85 ASN B N 1 ATOM 4859 C CA . ASN B 1 87 ? -20.479 28.198 -26.141 1.00 39.53 ? 85 ASN B CA 1 ATOM 4860 C C . ASN B 1 87 ? -21.392 27.756 -25.006 1.00 44.59 ? 85 ASN B C 1 ATOM 4861 O O . ASN B 1 87 ? -21.262 28.233 -23.875 1.00 47.31 ? 85 ASN B O 1 ATOM 4862 C CB . ASN B 1 87 ? -20.479 29.723 -26.231 1.00 41.85 ? 85 ASN B CB 1 ATOM 4863 C CG . ASN B 1 87 ? -21.812 30.274 -26.696 1.00 45.90 ? 85 ASN B CG 1 ATOM 4864 O OD1 . ASN B 1 87 ? -22.480 29.686 -27.553 1.00 44.75 ? 85 ASN B OD1 1 ATOM 4865 N ND2 . ASN B 1 87 ? -22.212 31.403 -26.131 1.00 49.09 ? 85 ASN B ND2 1 ATOM 4866 N N . THR B 1 88 ? -22.330 26.872 -25.324 1.00 35.74 ? 86 THR B N 1 ATOM 4867 C CA . THR B 1 88 ? -23.132 26.192 -24.315 1.00 34.52 ? 86 THR B CA 1 ATOM 4868 C C . THR B 1 88 ? -23.013 24.675 -24.522 1.00 39.06 ? 86 THR B C 1 ATOM 4869 O O . THR B 1 88 ? -22.489 24.227 -25.540 1.00 28.03 ? 86 THR B O 1 ATOM 4870 C CB . THR B 1 88 ? -24.595 26.614 -24.394 1.00 35.05 ? 86 THR B CB 1 ATOM 4871 O OG1 . THR B 1 88 ? -25.163 26.145 -25.625 1.00 30.22 ? 86 THR B OG1 1 ATOM 4872 C CG2 . THR B 1 88 ? -24.704 28.139 -24.313 1.00 29.74 ? 86 THR B CG2 1 ATOM 4873 N N . ASP B 1 89 ? -23.481 23.884 -23.560 1.00 45.81 ? 87 ASP B N 1 ATOM 4874 C CA . ASP B 1 89 ? -23.353 22.422 -23.649 1.00 39.50 ? 87 ASP B CA 1 ATOM 4875 C C . ASP B 1 89 ? -24.022 21.825 -24.891 1.00 41.12 ? 87 ASP B C 1 ATOM 4876 O O . ASP B 1 89 ? -25.063 22.301 -25.343 1.00 47.00 ? 87 ASP B O 1 ATOM 4877 C CB . ASP B 1 89 ? -23.935 21.747 -22.410 1.00 37.81 ? 87 ASP B CB 1 ATOM 4878 C CG . ASP B 1 89 ? -23.108 21.984 -21.162 1.00 53.13 ? 87 ASP B CG 1 ATOM 4879 O OD1 . ASP B 1 89 ? -21.859 22.043 -21.256 1.00 53.53 ? 87 ASP B OD1 1 ATOM 4880 O OD2 . ASP B 1 89 ? -23.722 22.090 -20.077 1.00 59.95 ? 87 ASP B OD2 1 ATOM 4881 N N . LEU B 1 90 ? -23.414 20.775 -25.434 1.00 38.17 ? 88 LEU B N 1 ATOM 4882 C CA . LEU B 1 90 ? -24.033 19.981 -26.489 1.00 31.01 ? 88 LEU B CA 1 ATOM 4883 C C . LEU B 1 90 ? -25.101 19.028 -25.933 1.00 36.36 ? 88 LEU B C 1 ATOM 4884 O O . LEU B 1 90 ? -24.930 18.433 -24.866 1.00 40.65 ? 88 LEU B O 1 ATOM 4885 C CB . LEU B 1 90 ? -22.966 19.191 -27.258 1.00 32.84 ? 88 LEU B CB 1 ATOM 4886 C CG . LEU B 1 90 ? -21.814 20.043 -27.808 1.00 35.19 ? 88 LEU B CG 1 ATOM 4887 C CD1 . LEU B 1 90 ? -20.807 19.188 -28.570 1.00 29.03 ? 88 LEU B CD1 1 ATOM 4888 C CD2 . LEU B 1 90 ? -22.352 21.189 -28.685 1.00 34.10 ? 88 LEU B CD2 1 ATOM 4889 N N . SER B 1 91 ? -26.199 18.880 -26.666 1.00 29.15 ? 89 SER B N 1 ATOM 4890 C CA . SER B 1 91 ? -27.256 17.964 -26.275 1.00 35.53 ? 89 SER B CA 1 ATOM 4891 C C . SER B 1 91 ? -28.204 17.792 -27.453 1.00 39.88 ? 89 SER B C 1 ATOM 4892 O O . SER B 1 91 ? -28.289 18.663 -28.310 1.00 40.06 ? 89 SER B O 1 ATOM 4893 C CB . SER B 1 91 ? -27.992 18.507 -25.053 1.00 34.96 ? 89 SER B CB 1 ATOM 4894 O OG . SER B 1 91 ? -29.238 17.871 -24.872 1.00 42.37 ? 89 SER B OG 1 ATOM 4895 N N . GLU B 1 92 ? -28.891 16.660 -27.520 1.00 34.33 ? 90 GLU B N 1 ATOM 4896 C CA . GLU B 1 92 ? -29.914 16.475 -28.546 1.00 37.97 ? 90 GLU B CA 1 ATOM 4897 C C . GLU B 1 92 ? -31.138 17.298 -28.154 1.00 40.09 ? 90 GLU B C 1 ATOM 4898 O O . GLU B 1 92 ? -32.012 17.559 -28.978 1.00 41.63 ? 90 GLU B O 1 ATOM 4899 C CB . GLU B 1 92 ? -30.311 14.999 -28.698 1.00 40.24 ? 90 GLU B CB 1 ATOM 4900 C CG . GLU B 1 92 ? -29.211 14.011 -29.119 1.00 38.61 ? 90 GLU B CG 1 ATOM 4901 C CD . GLU B 1 92 ? -29.774 12.600 -29.374 1.00 45.94 ? 90 GLU B CD 1 ATOM 4902 O OE1 . GLU B 1 92 ? -30.381 12.371 -30.446 1.00 41.68 ? 90 GLU B OE1 1 ATOM 4903 O OE2 . GLU B 1 92 ? -29.618 11.720 -28.501 1.00 46.95 ? 90 GLU B OE2 1 ATOM 4904 N N . ASP B 1 93 ? -31.198 17.685 -26.881 1.00 41.76 ? 91 ASP B N 1 ATOM 4905 C CA . ASP B 1 93 ? -32.268 18.533 -26.364 1.00 45.91 ? 91 ASP B CA 1 ATOM 4906 C C . ASP B 1 93 ? -31.883 19.975 -26.608 1.00 38.50 ? 91 ASP B C 1 ATOM 4907 O O . ASP B 1 93 ? -31.405 20.660 -25.705 1.00 39.15 ? 91 ASP B O 1 ATOM 4908 C CB . ASP B 1 93 ? -32.476 18.285 -24.864 1.00 49.84 ? 91 ASP B CB 1 ATOM 4909 C CG . ASP B 1 93 ? -33.599 19.134 -24.269 1.00 53.76 ? 91 ASP B CG 1 ATOM 4910 O OD1 . ASP B 1 93 ? -34.246 19.905 -25.017 1.00 45.03 ? 91 ASP B OD1 1 ATOM 4911 O OD2 . ASP B 1 93 ? -33.842 19.012 -23.045 1.00 62.27 ? 91 ASP B OD2 1 ATOM 4912 N N . CYS B 1 94 ? -32.107 20.434 -27.831 1.00 40.44 ? 92 CYS B N 1 ATOM 4913 C CA . CYS B 1 94 ? -31.539 21.698 -28.278 1.00 39.27 ? 92 CYS B CA 1 ATOM 4914 C C . CYS B 1 94 ? -32.488 22.580 -29.097 1.00 44.04 ? 92 CYS B C 1 ATOM 4915 O O . CYS B 1 94 ? -32.071 23.623 -29.603 1.00 40.69 ? 92 CYS B O 1 ATOM 4916 C CB . CYS B 1 94 ? -30.278 21.420 -29.088 1.00 32.75 ? 92 CYS B CB 1 ATOM 4917 S SG . CYS B 1 94 ? -30.567 20.488 -30.636 1.00 47.11 ? 92 CYS B SG 1 ATOM 4918 N N . LEU B 1 95 ? -33.753 22.180 -29.225 1.00 44.15 ? 93 LEU B N 1 ATOM 4919 C CA . LEU B 1 95 ? -34.698 22.947 -30.041 1.00 41.45 ? 93 LEU B CA 1 ATOM 4920 C C . LEU B 1 95 ? -35.253 24.137 -29.278 1.00 41.39 ? 93 LEU B C 1 ATOM 4921 O O . LEU B 1 95 ? -36.343 24.065 -28.708 1.00 45.23 ? 93 LEU B O 1 ATOM 4922 C CB . LEU B 1 95 ? -35.829 22.062 -30.587 1.00 43.22 ? 93 LEU B CB 1 ATOM 4923 C CG . LEU B 1 95 ? -35.335 20.959 -31.534 1.00 36.04 ? 93 LEU B CG 1 ATOM 4924 C CD1 . LEU B 1 95 ? -36.483 20.202 -32.175 1.00 36.66 ? 93 LEU B CD1 1 ATOM 4925 C CD2 . LEU B 1 95 ? -34.405 21.541 -32.590 1.00 31.86 ? 93 LEU B CD2 1 ATOM 4926 N N . TYR B 1 96 ? -34.487 25.228 -29.274 1.00 37.19 ? 94 TYR B N 1 ATOM 4927 C CA . TYR B 1 96 ? -34.839 26.424 -28.519 1.00 40.09 ? 94 TYR B CA 1 ATOM 4928 C C . TYR B 1 96 ? -34.582 27.667 -29.353 1.00 40.43 ? 94 TYR B C 1 ATOM 4929 O O . TYR B 1 96 ? -33.795 27.631 -30.289 1.00 33.59 ? 94 TYR B O 1 ATOM 4930 C CB . TYR B 1 96 ? -34.025 26.515 -27.223 1.00 39.99 ? 94 TYR B CB 1 ATOM 4931 C CG . TYR B 1 96 ? -34.272 25.392 -26.253 1.00 44.62 ? 94 TYR B CG 1 ATOM 4932 C CD1 . TYR B 1 96 ? -33.634 24.169 -26.409 1.00 45.66 ? 94 TYR B CD1 1 ATOM 4933 C CD2 . TYR B 1 96 ? -35.138 25.550 -25.179 1.00 40.88 ? 94 TYR B CD2 1 ATOM 4934 C CE1 . TYR B 1 96 ? -33.857 23.139 -25.543 1.00 43.32 ? 94 TYR B CE1 1 ATOM 4935 C CE2 . TYR B 1 96 ? -35.366 24.528 -24.309 1.00 42.09 ? 94 TYR B CE2 1 ATOM 4936 C CZ . TYR B 1 96 ? -34.721 23.314 -24.495 1.00 48.75 ? 94 TYR B CZ 1 ATOM 4937 O OH . TYR B 1 96 ? -34.926 22.264 -23.625 1.00 58.18 ? 94 TYR B OH 1 ATOM 4938 N N . LEU B 1 97 ? -35.232 28.772 -28.995 1.00 45.72 ? 95 LEU B N 1 ATOM 4939 C CA . LEU B 1 97 ? -34.970 30.047 -29.662 1.00 44.39 ? 95 LEU B CA 1 ATOM 4940 C C . LEU B 1 97 ? -34.836 31.239 -28.705 1.00 46.85 ? 95 LEU B C 1 ATOM 4941 O O . LEU B 1 97 ? -35.144 31.151 -27.517 1.00 48.24 ? 95 LEU B O 1 ATOM 4942 C CB . LEU B 1 97 ? -36.017 30.321 -30.741 1.00 37.34 ? 95 LEU B CB 1 ATOM 4943 C CG . LEU B 1 97 ? -37.482 30.255 -30.328 1.00 42.72 ? 95 LEU B CG 1 ATOM 4944 C CD1 . LEU B 1 97 ? -37.938 31.604 -29.796 1.00 48.54 ? 95 LEU B CD1 1 ATOM 4945 C CD2 . LEU B 1 97 ? -38.339 29.824 -31.493 1.00 37.87 ? 95 LEU B CD2 1 ATOM 4946 N N . ASN B 1 98 ? -34.367 32.351 -29.249 1.00 47.02 ? 96 ASN B N 1 ATOM 4947 C CA . ASN B 1 98 ? -34.088 33.541 -28.472 1.00 41.16 ? 96 ASN B CA 1 ATOM 4948 C C . ASN B 1 98 ? -34.832 34.728 -29.053 1.00 44.63 ? 96 ASN B C 1 ATOM 4949 O O . ASN B 1 98 ? -34.913 34.863 -30.269 1.00 44.85 ? 96 ASN B O 1 ATOM 4950 C CB . ASN B 1 98 ? -32.592 33.818 -28.494 1.00 37.03 ? 96 ASN B CB 1 ATOM 4951 C CG . ASN B 1 98 ? -31.760 32.550 -28.287 1.00 38.51 ? 96 ASN B CG 1 ATOM 4952 O OD1 . ASN B 1 98 ? -31.773 31.953 -27.208 1.00 35.41 ? 96 ASN B OD1 1 ATOM 4953 N ND2 . ASN B 1 98 ? -31.015 32.152 -29.316 1.00 33.04 ? 96 ASN B ND2 1 ATOM 4954 N N . VAL B 1 99 ? -35.387 35.578 -28.190 1.00 42.41 ? 97 VAL B N 1 ATOM 4955 C CA . VAL B 1 99 ? -36.060 36.795 -28.647 1.00 47.48 ? 97 VAL B CA 1 ATOM 4956 C C . VAL B 1 99 ? -35.503 38.040 -27.964 1.00 47.43 ? 97 VAL B C 1 ATOM 4957 O O . VAL B 1 99 ? -35.432 38.105 -26.735 1.00 51.02 ? 97 VAL B O 1 ATOM 4958 C CB . VAL B 1 99 ? -37.587 36.749 -28.409 1.00 51.25 ? 97 VAL B CB 1 ATOM 4959 C CG1 . VAL B 1 99 ? -38.256 37.985 -29.029 1.00 49.80 ? 97 VAL B CG1 1 ATOM 4960 C CG2 . VAL B 1 99 ? -38.185 35.479 -28.982 1.00 45.75 ? 97 VAL B CG2 1 ATOM 4961 N N . TRP B 1 100 ? -35.100 39.024 -28.761 1.00 46.31 ? 98 TRP B N 1 ATOM 4962 C CA . TRP B 1 100 ? -34.633 40.298 -28.210 1.00 52.16 ? 98 TRP B CA 1 ATOM 4963 C C . TRP B 1 100 ? -35.628 41.401 -28.539 1.00 58.09 ? 98 TRP B C 1 ATOM 4964 O O . TRP B 1 100 ? -36.158 41.476 -29.655 1.00 54.14 ? 98 TRP B O 1 ATOM 4965 C CB . TRP B 1 100 ? -33.250 40.675 -28.742 1.00 49.08 ? 98 TRP B CB 1 ATOM 4966 C CG . TRP B 1 100 ? -32.109 39.848 -28.198 1.00 50.42 ? 98 TRP B CG 1 ATOM 4967 C CD1 . TRP B 1 100 ? -31.409 40.073 -27.048 1.00 45.32 ? 98 TRP B CD1 1 ATOM 4968 C CD2 . TRP B 1 100 ? -31.521 38.687 -28.806 1.00 42.70 ? 98 TRP B CD2 1 ATOM 4969 N NE1 . TRP B 1 100 ? -30.432 39.121 -26.895 1.00 45.44 ? 98 TRP B NE1 1 ATOM 4970 C CE2 . TRP B 1 100 ? -30.478 38.258 -27.962 1.00 47.92 ? 98 TRP B CE2 1 ATOM 4971 C CE3 . TRP B 1 100 ? -31.776 37.970 -29.982 1.00 41.44 ? 98 TRP B CE3 1 ATOM 4972 C CZ2 . TRP B 1 100 ? -29.683 37.136 -28.258 1.00 37.85 ? 98 TRP B CZ2 1 ATOM 4973 C CZ3 . TRP B 1 100 ? -30.985 36.857 -30.278 1.00 35.50 ? 98 TRP B CZ3 1 ATOM 4974 C CH2 . TRP B 1 100 ? -29.955 36.454 -29.416 1.00 34.61 ? 98 TRP B CH2 1 ATOM 4975 N N . ILE B 1 101 ? -35.872 42.265 -27.563 1.00 60.30 ? 99 ILE B N 1 ATOM 4976 C CA . ILE B 1 101 ? -36.906 43.285 -27.687 1.00 68.41 ? 99 ILE B CA 1 ATOM 4977 C C . ILE B 1 101 ? -36.460 44.631 -27.129 1.00 65.54 ? 99 ILE B C 1 ATOM 4978 O O . ILE B 1 101 ? -35.893 44.706 -26.035 1.00 64.01 ? 99 ILE B O 1 ATOM 4979 C CB . ILE B 1 101 ? -38.193 42.826 -26.973 1.00 75.09 ? 99 ILE B CB 1 ATOM 4980 C CG1 . ILE B 1 101 ? -38.858 41.708 -27.767 1.00 71.75 ? 99 ILE B CG1 1 ATOM 4981 C CG2 . ILE B 1 101 ? -39.166 43.974 -26.770 1.00 80.78 ? 99 ILE B CG2 1 ATOM 4982 C CD1 . ILE B 1 101 ? -39.973 41.103 -27.033 1.00 77.74 ? 99 ILE B CD1 1 ATOM 4983 N N . PRO B 1 102 ? -36.712 45.701 -27.891 1.00 66.76 ? 100 PRO B N 1 ATOM 4984 C CA . PRO B 1 102 ? -36.438 47.077 -27.455 1.00 66.82 ? 100 PRO B CA 1 ATOM 4985 C C . PRO B 1 102 ? -37.165 47.426 -26.167 1.00 67.71 ? 100 PRO B C 1 ATOM 4986 O O . PRO B 1 102 ? -38.207 46.848 -25.856 1.00 67.21 ? 100 PRO B O 1 ATOM 4987 C CB . PRO B 1 102 ? -37.018 47.927 -28.586 1.00 65.30 ? 100 PRO B CB 1 ATOM 4988 C CG . PRO B 1 102 ? -37.040 47.036 -29.774 1.00 64.32 ? 100 PRO B CG 1 ATOM 4989 C CD . PRO B 1 102 ? -37.226 45.637 -29.270 1.00 64.64 ? 100 PRO B CD 1 ATOM 4990 N N . ALA B 1 103 ? -36.598 48.362 -25.417 1.00 76.13 ? 101 ALA B N 1 ATOM 4991 C CA . ALA B 1 103 ? -37.322 49.039 -24.348 1.00 81.06 ? 101 ALA B CA 1 ATOM 4992 C C . ALA B 1 103 ? -37.314 50.523 -24.677 1.00 83.55 ? 101 ALA B C 1 ATOM 4993 O O . ALA B 1 103 ? -36.261 51.076 -24.996 1.00 83.22 ? 101 ALA B O 1 ATOM 4994 C CB . ALA B 1 103 ? -36.679 48.787 -22.999 1.00 80.39 ? 101 ALA B CB 1 ATOM 4995 N N . PRO B 1 104 ? -38.488 51.174 -24.621 1.00 88.42 ? 102 PRO B N 1 ATOM 4996 C CA . PRO B 1 104 ? -39.788 50.576 -24.283 1.00 88.18 ? 102 PRO B CA 1 ATOM 4997 C C . PRO B 1 104 ? -40.316 49.636 -25.362 1.00 79.61 ? 102 PRO B C 1 ATOM 4998 O O . PRO B 1 104 ? -39.946 49.775 -26.526 1.00 80.47 ? 102 PRO B O 1 ATOM 4999 C CB . PRO B 1 104 ? -40.709 51.794 -24.155 1.00 86.94 ? 102 PRO B CB 1 ATOM 5000 C CG . PRO B 1 104 ? -40.049 52.855 -24.977 1.00 88.86 ? 102 PRO B CG 1 ATOM 5001 C CD . PRO B 1 104 ? -38.584 52.636 -24.786 1.00 89.14 ? 102 PRO B CD 1 ATOM 5002 N N . LYS B 1 105 ? -41.167 48.700 -24.955 1.00 75.38 ? 103 LYS B N 1 ATOM 5003 C CA . LYS B 1 105 ? -41.693 47.656 -25.833 1.00 85.42 ? 103 LYS B CA 1 ATOM 5004 C C . LYS B 1 105 ? -42.475 48.223 -27.017 1.00 92.15 ? 103 LYS B C 1 ATOM 5005 O O . LYS B 1 105 ? -43.405 49.008 -26.832 1.00 95.88 ? 103 LYS B O 1 ATOM 5006 C CB . LYS B 1 105 ? -42.565 46.693 -25.018 1.00 86.82 ? 103 LYS B CB 1 ATOM 5007 C CG . LYS B 1 105 ? -43.272 45.599 -25.805 1.00 81.74 ? 103 LYS B CG 1 ATOM 5008 C CD . LYS B 1 105 ? -43.963 44.622 -24.848 1.00 80.98 ? 103 LYS B CD 1 ATOM 5009 C CE . LYS B 1 105 ? -45.135 43.908 -25.503 1.00 78.33 ? 103 LYS B CE 1 ATOM 5010 N NZ . LYS B 1 105 ? -45.945 43.157 -24.509 1.00 78.72 ? 103 LYS B NZ 1 ATOM 5011 N N . PRO B 1 106 ? -42.093 47.821 -28.241 1.00 91.88 ? 104 PRO B N 1 ATOM 5012 C CA . PRO B 1 106 ? -42.698 48.313 -29.483 1.00 94.59 ? 104 PRO B CA 1 ATOM 5013 C C . PRO B 1 106 ? -44.134 47.835 -29.671 1.00 96.78 ? 104 PRO B C 1 ATOM 5014 O O . PRO B 1 106 ? -44.617 46.992 -28.916 1.00 93.33 ? 104 PRO B O 1 ATOM 5015 C CB . PRO B 1 106 ? -41.796 47.723 -30.568 1.00 89.13 ? 104 PRO B CB 1 ATOM 5016 C CG . PRO B 1 106 ? -41.229 46.506 -29.958 1.00 88.44 ? 104 PRO B CG 1 ATOM 5017 C CD . PRO B 1 106 ? -41.031 46.836 -28.504 1.00 89.09 ? 104 PRO B CD 1 ATOM 5018 N N . LYS B 1 107 ? -44.803 48.370 -30.685 1.00 98.34 ? 105 LYS B N 1 ATOM 5019 C CA . LYS B 1 107 ? -46.225 48.126 -30.863 1.00 98.17 ? 105 LYS B CA 1 ATOM 5020 C C . LYS B 1 107 ? -46.501 47.229 -32.068 1.00 92.11 ? 105 LYS B C 1 ATOM 5021 O O . LYS B 1 107 ? -47.440 46.436 -32.052 1.00 92.67 ? 105 LYS B O 1 ATOM 5022 C CB . LYS B 1 107 ? -46.975 49.456 -30.995 1.00 106.08 ? 105 LYS B CB 1 ATOM 5023 C CG . LYS B 1 107 ? -46.498 50.536 -30.031 1.00 108.46 ? 105 LYS B CG 1 ATOM 5024 C CD . LYS B 1 107 ? -46.560 50.056 -28.589 1.00 111.42 ? 105 LYS B CD 1 ATOM 5025 C CE . LYS B 1 107 ? -45.926 51.057 -27.634 1.00 113.30 ? 105 LYS B CE 1 ATOM 5026 N NZ . LYS B 1 107 ? -46.713 52.316 -27.542 1.00 118.38 ? 105 LYS B NZ 1 ATOM 5027 N N . ASN B 1 108 ? -45.684 47.355 -33.109 1.00 86.31 ? 106 ASN B N 1 ATOM 5028 C CA . ASN B 1 108 ? -45.843 46.524 -34.299 1.00 85.62 ? 106 ASN B CA 1 ATOM 5029 C C . ASN B 1 108 ? -44.514 46.407 -35.051 1.00 75.23 ? 106 ASN B C 1 ATOM 5030 O O . ASN B 1 108 ? -44.435 46.659 -36.255 1.00 67.19 ? 106 ASN B O 1 ATOM 5031 C CB . ASN B 1 108 ? -46.949 47.094 -35.197 1.00 92.72 ? 106 ASN B CB 1 ATOM 5032 C CG . ASN B 1 108 ? -47.724 46.014 -35.933 1.00 103.44 ? 106 ASN B CG 1 ATOM 5033 O OD1 . ASN B 1 108 ? -48.157 45.025 -35.340 1.00 99.56 ? 106 ASN B OD1 1 ATOM 5034 N ND2 . ASN B 1 108 ? -47.872 46.189 -37.243 1.00 122.23 ? 106 ASN B ND2 1 ATOM 5035 N N . ALA B 1 109 ? -43.474 46.008 -34.323 1.00 72.68 ? 107 ALA B N 1 ATOM 5036 C CA . ALA B 1 109 ? -42.097 46.075 -34.807 1.00 68.63 ? 107 ALA B CA 1 ATOM 5037 C C . ALA B 1 109 ? -41.746 44.998 -35.830 1.00 69.09 ? 107 ALA B C 1 ATOM 5038 O O . ALA B 1 109 ? -42.204 43.859 -35.728 1.00 66.19 ? 107 ALA B O 1 ATOM 5039 C CB . ALA B 1 109 ? -41.127 46.012 -33.632 1.00 54.14 ? 107 ALA B CB 1 ATOM 5040 N N . THR B 1 110 ? -40.923 45.368 -36.811 1.00 67.32 ? 108 THR B N 1 ATOM 5041 C CA . THR B 1 110 ? -40.378 44.407 -37.766 1.00 72.63 ? 108 THR B CA 1 ATOM 5042 C C . THR B 1 110 ? -39.560 43.347 -37.020 1.00 63.65 ? 108 THR B C 1 ATOM 5043 O O . THR B 1 110 ? -38.890 43.655 -36.035 1.00 61.18 ? 108 THR B O 1 ATOM 5044 C CB . THR B 1 110 ? -39.503 45.103 -38.860 1.00 75.04 ? 108 THR B CB 1 ATOM 5045 O OG1 . THR B 1 110 ? -40.349 45.728 -39.835 1.00 68.43 ? 108 THR B OG1 1 ATOM 5046 C CG2 . THR B 1 110 ? -38.586 44.092 -39.573 1.00 67.69 ? 108 THR B CG2 1 ATOM 5047 N N . VAL B 1 111 ? -39.640 42.102 -37.476 1.00 57.39 ? 109 VAL B N 1 ATOM 5048 C CA . VAL B 1 111 ? -38.884 41.015 -36.864 1.00 55.96 ? 109 VAL B CA 1 ATOM 5049 C C . VAL B 1 111 ? -37.791 40.519 -37.802 1.00 53.24 ? 109 VAL B C 1 ATOM 5050 O O . VAL B 1 111 ? -38.046 40.249 -38.975 1.00 50.65 ? 109 VAL B O 1 ATOM 5051 C CB . VAL B 1 111 ? -39.791 39.823 -36.482 1.00 53.29 ? 109 VAL B CB 1 ATOM 5052 C CG1 . VAL B 1 111 ? -38.955 38.701 -35.898 1.00 45.21 ? 109 VAL B CG1 1 ATOM 5053 C CG2 . VAL B 1 111 ? -40.871 40.255 -35.489 1.00 55.91 ? 109 VAL B CG2 1 ATOM 5054 N N . LEU B 1 112 ? -36.570 40.422 -37.286 1.00 51.94 ? 110 LEU B N 1 ATOM 5055 C CA . LEU B 1 112 ? -35.480 39.802 -38.029 1.00 48.53 ? 110 LEU B CA 1 ATOM 5056 C C . LEU B 1 112 ? -35.203 38.432 -37.444 1.00 46.37 ? 110 LEU B C 1 ATOM 5057 O O . LEU B 1 112 ? -34.989 38.308 -36.245 1.00 50.63 ? 110 LEU B O 1 ATOM 5058 C CB . LEU B 1 112 ? -34.224 40.658 -37.945 1.00 51.09 ? 110 LEU B CB 1 ATOM 5059 C CG . LEU B 1 112 ? -34.091 41.747 -39.000 1.00 55.29 ? 110 LEU B CG 1 ATOM 5060 C CD1 . LEU B 1 112 ? -33.139 42.802 -38.520 1.00 51.73 ? 110 LEU B CD1 1 ATOM 5061 C CD2 . LEU B 1 112 ? -33.573 41.119 -40.276 1.00 58.90 ? 110 LEU B CD2 1 ATOM 5062 N N . ILE B 1 113 ? -35.223 37.404 -38.283 1.00 42.17 ? 111 ILE B N 1 ATOM 5063 C CA . ILE B 1 113 ? -34.951 36.049 -37.817 1.00 37.66 ? 111 ILE B CA 1 ATOM 5064 C C . ILE B 1 113 ? -33.613 35.554 -38.356 1.00 35.59 ? 111 ILE B C 1 ATOM 5065 O O . ILE B 1 113 ? -33.425 35.431 -39.567 1.00 39.66 ? 111 ILE B O 1 ATOM 5066 C CB . ILE B 1 113 ? -36.079 35.065 -38.209 1.00 37.35 ? 111 ILE B CB 1 ATOM 5067 C CG1 . ILE B 1 113 ? -37.434 35.594 -37.749 1.00 41.09 ? 111 ILE B CG1 1 ATOM 5068 C CG2 . ILE B 1 113 ? -35.822 33.691 -37.616 1.00 37.71 ? 111 ILE B CG2 1 ATOM 5069 C CD1 . ILE B 1 113 ? -38.566 34.605 -37.950 1.00 38.09 ? 111 ILE B CD1 1 ATOM 5070 N N . TRP B 1 114 ? -32.682 35.278 -37.453 1.00 34.20 ? 112 TRP B N 1 ATOM 5071 C CA . TRP B 1 114 ? -31.351 34.830 -37.848 1.00 37.78 ? 112 TRP B CA 1 ATOM 5072 C C . TRP B 1 114 ? -31.267 33.302 -37.900 1.00 41.11 ? 112 TRP B C 1 ATOM 5073 O O . TRP B 1 114 ? -31.644 32.620 -36.950 1.00 40.85 ? 112 TRP B O 1 ATOM 5074 C CB . TRP B 1 114 ? -30.285 35.388 -36.894 1.00 33.99 ? 112 TRP B CB 1 ATOM 5075 C CG . TRP B 1 114 ? -28.890 34.853 -37.123 1.00 39.64 ? 112 TRP B CG 1 ATOM 5076 C CD1 . TRP B 1 114 ? -28.239 33.899 -36.386 1.00 42.80 ? 112 TRP B CD1 1 ATOM 5077 C CD2 . TRP B 1 114 ? -27.977 35.247 -38.159 1.00 36.38 ? 112 TRP B CD2 1 ATOM 5078 N NE1 . TRP B 1 114 ? -26.973 33.691 -36.895 1.00 35.17 ? 112 TRP B NE1 1 ATOM 5079 C CE2 . TRP B 1 114 ? -26.793 34.509 -37.980 1.00 28.59 ? 112 TRP B CE2 1 ATOM 5080 C CE3 . TRP B 1 114 ? -28.045 36.162 -39.213 1.00 41.20 ? 112 TRP B CE3 1 ATOM 5081 C CZ2 . TRP B 1 114 ? -25.700 34.647 -38.826 1.00 33.33 ? 112 TRP B CZ2 1 ATOM 5082 C CZ3 . TRP B 1 114 ? -26.947 36.304 -40.048 1.00 33.27 ? 112 TRP B CZ3 1 ATOM 5083 C CH2 . TRP B 1 114 ? -25.798 35.551 -39.855 1.00 28.01 ? 112 TRP B CH2 1 ATOM 5084 N N . ILE B 1 115 ? -30.793 32.784 -39.030 1.00 39.64 ? 113 ILE B N 1 ATOM 5085 C CA . ILE B 1 115 ? -30.466 31.374 -39.186 1.00 35.83 ? 113 ILE B CA 1 ATOM 5086 C C . ILE B 1 115 ? -28.956 31.220 -39.379 1.00 28.04 ? 113 ILE B C 1 ATOM 5087 O O . ILE B 1 115 ? -28.432 31.582 -40.428 1.00 36.48 ? 113 ILE B O 1 ATOM 5088 C CB . ILE B 1 115 ? -31.172 30.776 -40.416 1.00 35.25 ? 113 ILE B CB 1 ATOM 5089 C CG1 . ILE B 1 115 ? -32.669 31.080 -40.374 1.00 33.05 ? 113 ILE B CG1 1 ATOM 5090 C CG2 . ILE B 1 115 ? -30.901 29.255 -40.515 1.00 28.80 ? 113 ILE B CG2 1 ATOM 5091 C CD1 . ILE B 1 115 ? -33.452 30.444 -41.519 1.00 30.37 ? 113 ILE B CD1 1 ATOM 5092 N N . TYR B 1 116 ? -28.263 30.686 -38.376 1.00 28.19 ? 114 TYR B N 1 ATOM 5093 C CA . TYR B 1 116 ? -26.801 30.508 -38.441 1.00 31.71 ? 114 TYR B CA 1 ATOM 5094 C C . TYR B 1 116 ? -26.326 29.523 -39.516 1.00 34.05 ? 114 TYR B C 1 ATOM 5095 O O . TYR B 1 116 ? -27.057 28.622 -39.930 1.00 33.16 ? 114 TYR B O 1 ATOM 5096 C CB . TYR B 1 116 ? -26.223 30.090 -37.076 1.00 34.96 ? 114 TYR B CB 1 ATOM 5097 C CG . TYR B 1 116 ? -26.776 28.785 -36.489 1.00 31.25 ? 114 TYR B CG 1 ATOM 5098 C CD1 . TYR B 1 116 ? -26.321 27.544 -36.916 1.00 34.17 ? 114 TYR B CD1 1 ATOM 5099 C CD2 . TYR B 1 116 ? -27.724 28.812 -35.484 1.00 34.00 ? 114 TYR B CD2 1 ATOM 5100 C CE1 . TYR B 1 116 ? -26.829 26.364 -36.367 1.00 32.27 ? 114 TYR B CE1 1 ATOM 5101 C CE2 . TYR B 1 116 ? -28.225 27.658 -34.926 1.00 36.52 ? 114 TYR B CE2 1 ATOM 5102 C CZ . TYR B 1 116 ? -27.777 26.440 -35.371 1.00 39.31 ? 114 TYR B CZ 1 ATOM 5103 O OH . TYR B 1 116 ? -28.298 25.312 -34.812 1.00 41.41 ? 114 TYR B OH 1 ATOM 5104 N N . GLY B 1 117 ? -25.083 29.715 -39.947 1.00 32.58 ? 115 GLY B N 1 ATOM 5105 C CA . GLY B 1 117 ? -24.403 28.774 -40.819 1.00 30.11 ? 115 GLY B CA 1 ATOM 5106 C C . GLY B 1 117 ? -23.503 27.816 -40.065 1.00 30.54 ? 115 GLY B C 1 ATOM 5107 O O . GLY B 1 117 ? -23.553 27.730 -38.835 1.00 32.85 ? 115 GLY B O 1 ATOM 5108 N N . GLY B 1 118 ? -22.685 27.082 -40.810 1.00 33.31 ? 116 GLY B N 1 ATOM 5109 C CA . GLY B 1 118 ? -21.830 26.056 -40.246 1.00 26.72 ? 116 GLY B CA 1 ATOM 5110 C C . GLY B 1 118 ? -21.849 24.780 -41.076 1.00 28.38 ? 116 GLY B C 1 ATOM 5111 O O . GLY B 1 118 ? -21.643 23.669 -40.558 1.00 31.68 ? 116 GLY B O 1 ATOM 5112 N N . GLY B 1 119 ? -22.108 24.949 -42.369 1.00 26.18 ? 117 GLY B N 1 ATOM 5113 C CA . GLY B 1 119 ? -22.062 23.871 -43.339 1.00 26.62 ? 117 GLY B CA 1 ATOM 5114 C C . GLY B 1 119 ? -23.107 22.794 -43.108 1.00 38.77 ? 117 GLY B C 1 ATOM 5115 O O . GLY B 1 119 ? -22.943 21.666 -43.578 1.00 36.22 ? 117 GLY B O 1 ATOM 5116 N N . PHE B 1 120 ? -24.176 23.150 -42.391 1.00 35.09 ? 118 PHE B N 1 ATOM 5117 C CA . PHE B 1 120 ? -25.199 22.199 -41.973 1.00 35.35 ? 118 PHE B CA 1 ATOM 5118 C C . PHE B 1 120 ? -24.657 21.105 -41.012 1.00 34.09 ? 118 PHE B C 1 ATOM 5119 O O . PHE B 1 120 ? -25.356 20.141 -40.711 1.00 32.35 ? 118 PHE B O 1 ATOM 5120 C CB . PHE B 1 120 ? -25.895 21.563 -43.191 1.00 32.07 ? 118 PHE B CB 1 ATOM 5121 C CG . PHE B 1 120 ? -26.636 22.548 -44.074 1.00 31.80 ? 118 PHE B CG 1 ATOM 5122 C CD1 . PHE B 1 120 ? -27.806 23.168 -43.628 1.00 25.96 ? 118 PHE B CD1 1 ATOM 5123 C CD2 . PHE B 1 120 ? -26.183 22.830 -45.353 1.00 21.70 ? 118 PHE B CD2 1 ATOM 5124 C CE1 . PHE B 1 120 ? -28.480 24.056 -44.418 1.00 21.14 ? 118 PHE B CE1 1 ATOM 5125 C CE2 . PHE B 1 120 ? -26.872 23.721 -46.173 1.00 25.87 ? 118 PHE B CE2 1 ATOM 5126 C CZ . PHE B 1 120 ? -28.020 24.334 -45.708 1.00 27.94 ? 118 PHE B CZ 1 ATOM 5127 N N . GLN B 1 121 ? -23.416 21.247 -40.547 1.00 23.51 ? 119 GLN B N 1 ATOM 5128 C CA . GLN B 1 121 ? -22.816 20.244 -39.650 1.00 31.62 ? 119 GLN B CA 1 ATOM 5129 C C . GLN B 1 121 ? -22.532 20.844 -38.268 1.00 41.08 ? 119 GLN B C 1 ATOM 5130 O O . GLN B 1 121 ? -22.274 20.122 -37.317 1.00 42.08 ? 119 GLN B O 1 ATOM 5131 C CB . GLN B 1 121 ? -21.491 19.688 -40.194 1.00 27.59 ? 119 GLN B CB 1 ATOM 5132 C CG . GLN B 1 121 ? -21.448 19.337 -41.681 1.00 27.58 ? 119 GLN B CG 1 ATOM 5133 C CD . GLN B 1 121 ? -22.616 18.487 -42.118 1.00 37.27 ? 119 GLN B CD 1 ATOM 5134 O OE1 . GLN B 1 121 ? -22.695 17.298 -41.802 1.00 45.53 ? 119 GLN B OE1 1 ATOM 5135 N NE2 . GLN B 1 121 ? -23.533 19.090 -42.855 1.00 31.51 ? 119 GLN B NE2 1 ATOM 5136 N N . THR B 1 122 ? -22.546 22.169 -38.177 1.00 32.45 ? 120 THR B N 1 ATOM 5137 C CA . THR B 1 122 ? -22.164 22.859 -36.959 1.00 33.55 ? 120 THR B CA 1 ATOM 5138 C C . THR B 1 122 ? -23.033 24.101 -36.809 1.00 36.93 ? 120 THR B C 1 ATOM 5139 O O . THR B 1 122 ? -23.898 24.384 -37.645 1.00 32.88 ? 120 THR B O 1 ATOM 5140 C CB . THR B 1 122 ? -20.669 23.313 -36.988 1.00 27.31 ? 120 THR B CB 1 ATOM 5141 O OG1 . THR B 1 122 ? -20.473 24.239 -38.058 1.00 31.37 ? 120 THR B OG1 1 ATOM 5142 C CG2 . THR B 1 122 ? -19.716 22.146 -37.195 1.00 27.06 ? 120 THR B CG2 1 ATOM 5143 N N . GLY B 1 123 ? -22.798 24.841 -35.736 1.00 33.32 ? 121 GLY B N 1 ATOM 5144 C CA . GLY B 1 123 ? -23.410 26.142 -35.562 1.00 33.77 ? 121 GLY B CA 1 ATOM 5145 C C . GLY B 1 123 ? -24.287 26.198 -34.335 1.00 35.46 ? 121 GLY B C 1 ATOM 5146 O O . GLY B 1 123 ? -24.772 25.168 -33.863 1.00 39.92 ? 121 GLY B O 1 ATOM 5147 N N . THR B 1 124 ? -24.501 27.404 -33.829 1.00 35.27 ? 122 THR B N 1 ATOM 5148 C CA . THR B 1 124 ? -25.408 27.618 -32.707 1.00 45.10 ? 122 THR B CA 1 ATOM 5149 C C . THR B 1 124 ? -25.832 29.083 -32.621 1.00 41.44 ? 122 THR B C 1 ATOM 5150 O O . THR B 1 124 ? -25.092 29.975 -33.037 1.00 38.05 ? 122 THR B O 1 ATOM 5151 C CB . THR B 1 124 ? -24.803 27.146 -31.360 1.00 40.42 ? 122 THR B CB 1 ATOM 5152 O OG1 . THR B 1 124 ? -25.813 27.204 -30.348 1.00 42.44 ? 122 THR B OG1 1 ATOM 5153 C CG2 . THR B 1 124 ? -23.615 28.013 -30.960 1.00 40.34 ? 122 THR B CG2 1 ATOM 5154 N N . SER B 1 125 ? -27.025 29.326 -32.083 1.00 39.79 ? 123 SER B N 1 ATOM 5155 C CA . SER B 1 125 ? -27.600 30.671 -32.081 1.00 36.18 ? 123 SER B CA 1 ATOM 5156 C C . SER B 1 125 ? -26.963 31.537 -30.995 1.00 36.60 ? 123 SER B C 1 ATOM 5157 O O . SER B 1 125 ? -27.119 32.753 -30.988 1.00 33.98 ? 123 SER B O 1 ATOM 5158 C CB . SER B 1 125 ? -29.110 30.604 -31.866 1.00 34.52 ? 123 SER B CB 1 ATOM 5159 O OG . SER B 1 125 ? -29.409 30.129 -30.558 1.00 42.56 ? 123 SER B OG 1 ATOM 5160 N N . SER B 1 126 ? -26.228 30.895 -30.096 1.00 39.30 ? 124 SER B N 1 ATOM 5161 C CA . SER B 1 126 ? -25.745 31.548 -28.882 1.00 41.84 ? 124 SER B CA 1 ATOM 5162 C C . SER B 1 126 ? -24.343 32.144 -29.006 1.00 37.64 ? 124 SER B C 1 ATOM 5163 O O . SER B 1 126 ? -23.778 32.582 -28.009 1.00 43.22 ? 124 SER B O 1 ATOM 5164 C CB . SER B 1 126 ? -25.764 30.554 -27.714 1.00 42.17 ? 124 SER B CB 1 ATOM 5165 O OG . SER B 1 126 ? -25.118 29.342 -28.070 1.00 40.33 ? 124 SER B OG 1 ATOM 5166 N N . LEU B 1 127 ? -23.769 32.132 -30.206 1.00 29.07 ? 125 LEU B N 1 ATOM 5167 C CA . LEU B 1 127 ? -22.456 32.747 -30.406 1.00 30.26 ? 125 LEU B CA 1 ATOM 5168 C C . LEU B 1 127 ? -22.528 34.246 -30.139 1.00 38.71 ? 125 LEU B C 1 ATOM 5169 O O . LEU B 1 127 ? -23.577 34.881 -30.341 1.00 28.10 ? 125 LEU B O 1 ATOM 5170 C CB . LEU B 1 127 ? -21.902 32.491 -31.817 1.00 30.89 ? 125 LEU B CB 1 ATOM 5171 C CG . LEU B 1 127 ? -21.472 31.067 -32.211 1.00 31.23 ? 125 LEU B CG 1 ATOM 5172 C CD1 . LEU B 1 127 ? -20.638 31.066 -33.488 1.00 22.39 ? 125 LEU B CD1 1 ATOM 5173 C CD2 . LEU B 1 127 ? -20.729 30.364 -31.084 1.00 30.03 ? 125 LEU B CD2 1 ATOM 5174 N N . HIS B 1 128 ? -21.403 34.786 -29.671 1.00 38.42 ? 126 HIS B N 1 ATOM 5175 C CA . HIS B 1 128 ? -21.269 36.194 -29.356 1.00 29.62 ? 126 HIS B CA 1 ATOM 5176 C C . HIS B 1 128 ? -21.466 37.062 -30.606 1.00 40.34 ? 126 HIS B C 1 ATOM 5177 O O . HIS B 1 128 ? -21.973 38.184 -30.501 1.00 34.48 ? 126 HIS B O 1 ATOM 5178 C CB . HIS B 1 128 ? -19.898 36.469 -28.711 1.00 38.06 ? 126 HIS B CB 1 ATOM 5179 C CG . HIS B 1 128 ? -19.588 37.929 -28.526 1.00 59.34 ? 126 HIS B CG 1 ATOM 5180 N ND1 . HIS B 1 128 ? -20.481 38.821 -27.968 1.00 63.22 ? 126 HIS B ND1 1 ATOM 5181 C CD2 . HIS B 1 128 ? -18.472 38.646 -28.812 1.00 64.53 ? 126 HIS B CD2 1 ATOM 5182 C CE1 . HIS B 1 128 ? -19.935 40.025 -27.932 1.00 69.68 ? 126 HIS B CE1 1 ATOM 5183 N NE2 . HIS B 1 128 ? -18.714 39.944 -28.431 1.00 68.24 ? 126 HIS B NE2 1 ATOM 5184 N N . VAL B 1 129 ? -21.081 36.546 -31.781 1.00 31.75 ? 127 VAL B N 1 ATOM 5185 C CA . VAL B 1 129 ? -21.243 37.302 -33.028 1.00 36.68 ? 127 VAL B CA 1 ATOM 5186 C C . VAL B 1 129 ? -22.683 37.313 -33.566 1.00 41.95 ? 127 VAL B C 1 ATOM 5187 O O . VAL B 1 129 ? -22.947 37.902 -34.616 1.00 38.63 ? 127 VAL B O 1 ATOM 5188 C CB . VAL B 1 129 ? -20.273 36.828 -34.139 1.00 28.39 ? 127 VAL B CB 1 ATOM 5189 C CG1 . VAL B 1 129 ? -18.837 37.104 -33.744 1.00 34.32 ? 127 VAL B CG1 1 ATOM 5190 C CG2 . VAL B 1 129 ? -20.463 35.329 -34.428 1.00 27.09 ? 127 VAL B CG2 1 ATOM 5191 N N . TYR B 1 130 ? -23.601 36.661 -32.852 1.00 37.58 ? 128 TYR B N 1 ATOM 5192 C CA . TYR B 1 130 ? -25.013 36.622 -33.243 1.00 34.96 ? 128 TYR B CA 1 ATOM 5193 C C . TYR B 1 130 ? -25.883 37.261 -32.168 1.00 38.98 ? 128 TYR B C 1 ATOM 5194 O O . TYR B 1 130 ? -27.101 37.132 -32.204 1.00 37.26 ? 128 TYR B O 1 ATOM 5195 C CB . TYR B 1 130 ? -25.518 35.184 -33.420 1.00 36.29 ? 128 TYR B CB 1 ATOM 5196 C CG . TYR B 1 130 ? -24.744 34.311 -34.375 1.00 38.60 ? 128 TYR B CG 1 ATOM 5197 C CD1 . TYR B 1 130 ? -23.997 34.855 -35.416 1.00 28.46 ? 128 TYR B CD1 1 ATOM 5198 C CD2 . TYR B 1 130 ? -24.770 32.928 -34.235 1.00 35.05 ? 128 TYR B CD2 1 ATOM 5199 C CE1 . TYR B 1 130 ? -23.303 34.035 -36.285 1.00 33.96 ? 128 TYR B CE1 1 ATOM 5200 C CE2 . TYR B 1 130 ? -24.073 32.098 -35.097 1.00 30.22 ? 128 TYR B CE2 1 ATOM 5201 C CZ . TYR B 1 130 ? -23.337 32.649 -36.113 1.00 34.64 ? 128 TYR B CZ 1 ATOM 5202 O OH . TYR B 1 130 ? -22.641 31.810 -36.962 1.00 36.38 ? 128 TYR B OH 1 ATOM 5203 N N . ASP B 1 131 ? -25.249 37.890 -31.184 1.00 43.38 ? 129 ASP B N 1 ATOM 5204 C CA . ASP B 1 131 ? -25.949 38.600 -30.121 1.00 46.88 ? 129 ASP B CA 1 ATOM 5205 C C . ASP B 1 131 ? -26.853 39.672 -30.743 1.00 48.97 ? 129 ASP B C 1 ATOM 5206 O O . ASP B 1 131 ? -26.369 40.670 -31.270 1.00 49.30 ? 129 ASP B O 1 ATOM 5207 C CB . ASP B 1 131 ? -24.913 39.243 -29.180 1.00 49.05 ? 129 ASP B CB 1 ATOM 5208 C CG . ASP B 1 131 ? -25.496 39.655 -27.832 1.00 51.10 ? 129 ASP B CG 1 ATOM 5209 O OD1 . ASP B 1 131 ? -26.726 39.861 -27.726 1.00 48.31 ? 129 ASP B OD1 1 ATOM 5210 O OD2 . ASP B 1 131 ? -24.707 39.783 -26.874 1.00 53.64 ? 129 ASP B OD2 1 ATOM 5211 N N . GLY B 1 132 ? -28.165 39.463 -30.692 1.00 50.65 ? 130 GLY B N 1 ATOM 5212 C CA . GLY B 1 132 ? -29.094 40.389 -31.317 1.00 50.75 ? 130 GLY B CA 1 ATOM 5213 C C . GLY B 1 132 ? -29.494 41.608 -30.481 1.00 51.60 ? 130 GLY B C 1 ATOM 5214 O O . GLY B 1 132 ? -30.378 42.367 -30.869 1.00 49.29 ? 130 GLY B O 1 ATOM 5215 N N . LYS B 1 133 ? -28.853 41.804 -29.334 1.00 54.70 ? 131 LYS B N 1 ATOM 5216 C CA . LYS B 1 133 ? -29.262 42.880 -28.441 1.00 55.85 ? 131 LYS B CA 1 ATOM 5217 C C . LYS B 1 133 ? -28.985 44.255 -29.058 1.00 62.61 ? 131 LYS B C 1 ATOM 5218 O O . LYS B 1 133 ? -29.771 45.187 -28.889 1.00 61.65 ? 131 LYS B O 1 ATOM 5219 C CB . LYS B 1 133 ? -28.615 42.741 -27.054 1.00 50.66 ? 131 LYS B CB 1 ATOM 5220 C CG . LYS B 1 133 ? -27.103 42.839 -27.045 1.00 39.63 ? 131 LYS B CG 1 ATOM 5221 C CD . LYS B 1 133 ? -26.548 42.857 -25.632 1.00 42.56 ? 131 LYS B CD 1 ATOM 5222 C CE . LYS B 1 133 ? -25.029 42.731 -25.668 1.00 50.80 ? 131 LYS B CE 1 ATOM 5223 N NZ . LYS B 1 133 ? -24.376 42.594 -24.337 1.00 54.61 ? 131 LYS B NZ 1 ATOM 5224 N N . PHE B 1 134 ? -27.887 44.367 -29.802 1.00 58.88 ? 132 PHE B N 1 ATOM 5225 C CA . PHE B 1 134 ? -27.505 45.646 -30.398 1.00 53.94 ? 132 PHE B CA 1 ATOM 5226 C C . PHE B 1 134 ? -28.517 46.140 -31.433 1.00 56.48 ? 132 PHE B C 1 ATOM 5227 O O . PHE B 1 134 ? -28.961 47.288 -31.377 1.00 64.01 ? 132 PHE B O 1 ATOM 5228 C CB . PHE B 1 134 ? -26.107 45.550 -31.000 1.00 48.91 ? 132 PHE B CB 1 ATOM 5229 C CG . PHE B 1 134 ? -25.055 45.141 -30.010 1.00 55.32 ? 132 PHE B CG 1 ATOM 5230 C CD1 . PHE B 1 134 ? -24.806 45.914 -28.886 1.00 56.35 ? 132 PHE B CD1 1 ATOM 5231 C CD2 . PHE B 1 134 ? -24.320 43.983 -30.194 1.00 58.66 ? 132 PHE B CD2 1 ATOM 5232 C CE1 . PHE B 1 134 ? -23.836 45.542 -27.966 1.00 50.02 ? 132 PHE B CE1 1 ATOM 5233 C CE2 . PHE B 1 134 ? -23.352 43.602 -29.274 1.00 55.92 ? 132 PHE B CE2 1 ATOM 5234 C CZ . PHE B 1 134 ? -23.106 44.384 -28.167 1.00 52.06 ? 132 PHE B CZ 1 ATOM 5235 N N . LEU B 1 135 ? -28.877 45.265 -32.368 1.00 54.44 ? 133 LEU B N 1 ATOM 5236 C CA . LEU B 1 135 ? -29.917 45.548 -33.353 1.00 52.14 ? 133 LEU B CA 1 ATOM 5237 C C . LEU B 1 135 ? -31.213 45.997 -32.694 1.00 53.14 ? 133 LEU B C 1 ATOM 5238 O O . LEU B 1 135 ? -31.860 46.941 -33.148 1.00 53.23 ? 133 LEU B O 1 ATOM 5239 C CB . LEU B 1 135 ? -30.211 44.299 -34.179 1.00 49.63 ? 133 LEU B CB 1 ATOM 5240 C CG . LEU B 1 135 ? -29.237 43.937 -35.288 1.00 48.32 ? 133 LEU B CG 1 ATOM 5241 C CD1 . LEU B 1 135 ? -29.680 42.643 -35.942 1.00 43.41 ? 133 LEU B CD1 1 ATOM 5242 C CD2 . LEU B 1 135 ? -29.159 45.065 -36.307 1.00 42.39 ? 133 LEU B CD2 1 ATOM 5243 N N . ALA B 1 136 ? -31.602 45.298 -31.633 1.00 51.97 ? 134 ALA B N 1 ATOM 5244 C CA . ALA B 1 136 ? -32.832 45.624 -30.940 1.00 56.90 ? 134 ALA B CA 1 ATOM 5245 C C . ALA B 1 136 ? -32.747 47.048 -30.392 1.00 62.04 ? 134 ALA B C 1 ATOM 5246 O O . ALA B 1 136 ? -33.712 47.807 -30.435 1.00 61.21 ? 134 ALA B O 1 ATOM 5247 C CB . ALA B 1 136 ? -33.087 44.624 -29.827 1.00 56.02 ? 134 ALA B CB 1 ATOM 5248 N N . ARG B 1 137 ? -31.563 47.408 -29.907 1.00 63.81 ? 135 ARG B N 1 ATOM 5249 C CA . ARG B 1 137 ? -31.339 48.695 -29.275 1.00 58.20 ? 135 ARG B CA 1 ATOM 5250 C C . ARG B 1 137 ? -31.279 49.834 -30.287 1.00 69.59 ? 135 ARG B C 1 ATOM 5251 O O . ARG B 1 137 ? -31.940 50.853 -30.110 1.00 75.85 ? 135 ARG B O 1 ATOM 5252 C CB . ARG B 1 137 ? -30.055 48.657 -28.445 1.00 48.66 ? 135 ARG B CB 1 ATOM 5253 C CG . ARG B 1 137 ? -29.586 50.023 -27.944 1.00 60.64 ? 135 ARG B CG 1 ATOM 5254 C CD . ARG B 1 137 ? -30.565 50.622 -26.933 1.00 67.98 ? 135 ARG B CD 1 ATOM 5255 N NE . ARG B 1 137 ? -29.966 51.755 -26.246 1.00 72.41 ? 135 ARG B NE 1 ATOM 5256 C CZ . ARG B 1 137 ? -30.276 53.026 -26.483 1.00 74.29 ? 135 ARG B CZ 1 ATOM 5257 N NH1 . ARG B 1 137 ? -31.199 53.326 -27.386 1.00 79.16 ? 135 ARG B NH1 1 ATOM 5258 N NH2 . ARG B 1 137 ? -29.668 53.996 -25.811 1.00 66.39 ? 135 ARG B NH2 1 ATOM 5259 N N . VAL B 1 138 ? -30.495 49.652 -31.347 1.00 74.18 ? 136 VAL B N 1 ATOM 5260 C CA . VAL B 1 138 ? -30.222 50.726 -32.300 1.00 70.39 ? 136 VAL B CA 1 ATOM 5261 C C . VAL B 1 138 ? -31.339 50.930 -33.317 1.00 67.96 ? 136 VAL B C 1 ATOM 5262 O O . VAL B 1 138 ? -31.727 52.064 -33.593 1.00 71.56 ? 136 VAL B O 1 ATOM 5263 C CB . VAL B 1 138 ? -28.904 50.489 -33.058 1.00 68.25 ? 136 VAL B CB 1 ATOM 5264 C CG1 . VAL B 1 138 ? -28.616 51.654 -33.991 1.00 67.38 ? 136 VAL B CG1 1 ATOM 5265 C CG2 . VAL B 1 138 ? -27.763 50.295 -32.077 1.00 66.13 ? 136 VAL B CG2 1 ATOM 5266 N N . GLU B 1 139 ? -31.860 49.841 -33.875 1.00 57.63 ? 137 GLU B N 1 ATOM 5267 C CA . GLU B 1 139 ? -32.884 49.964 -34.907 1.00 58.16 ? 137 GLU B CA 1 ATOM 5268 C C . GLU B 1 139 ? -34.292 49.620 -34.419 1.00 57.49 ? 137 GLU B C 1 ATOM 5269 O O . GLU B 1 139 ? -35.267 49.722 -35.167 1.00 58.27 ? 137 GLU B O 1 ATOM 5270 C CB . GLU B 1 139 ? -32.504 49.145 -36.138 1.00 61.74 ? 137 GLU B CB 1 ATOM 5271 C CG . GLU B 1 139 ? -31.176 49.573 -36.770 1.00 66.67 ? 137 GLU B CG 1 ATOM 5272 C CD . GLU B 1 139 ? -31.198 50.987 -37.361 1.00 74.45 ? 137 GLU B CD 1 ATOM 5273 O OE1 . GLU B 1 139 ? -32.293 51.495 -37.710 1.00 70.93 ? 137 GLU B OE1 1 ATOM 5274 O OE2 . GLU B 1 139 ? -30.104 51.589 -37.479 1.00 76.85 ? 137 GLU B OE2 1 ATOM 5275 N N . ARG B 1 140 ? -34.391 49.235 -33.154 1.00 59.04 ? 138 ARG B N 1 ATOM 5276 C CA . ARG B 1 140 ? -35.682 48.942 -32.536 1.00 64.06 ? 138 ARG B CA 1 ATOM 5277 C C . ARG B 1 140 ? -36.501 47.887 -33.295 1.00 56.78 ? 138 ARG B C 1 ATOM 5278 O O . ARG B 1 140 ? -37.713 48.004 -33.450 1.00 59.91 ? 138 ARG B O 1 ATOM 5279 C CB . ARG B 1 140 ? -36.480 50.233 -32.282 1.00 68.75 ? 138 ARG B CB 1 ATOM 5280 C CG . ARG B 1 140 ? -35.936 51.059 -31.115 1.00 70.73 ? 138 ARG B CG 1 ATOM 5281 C CD . ARG B 1 140 ? -36.745 52.333 -30.851 1.00 77.76 ? 138 ARG B CD 1 ATOM 5282 N NE . ARG B 1 140 ? -38.132 52.059 -30.477 1.00 79.02 ? 138 ARG B NE 1 ATOM 5283 C CZ . ARG B 1 140 ? -38.513 51.602 -29.287 1.00 78.70 ? 138 ARG B CZ 1 ATOM 5284 N NH1 . ARG B 1 140 ? -37.609 51.361 -28.344 1.00 79.25 ? 138 ARG B NH1 1 ATOM 5285 N NH2 . ARG B 1 140 ? -39.797 51.376 -29.044 1.00 75.86 ? 138 ARG B NH2 1 ATOM 5286 N N . VAL B 1 141 ? -35.819 46.857 -33.770 1.00 55.26 ? 139 VAL B N 1 ATOM 5287 C CA . VAL B 1 141 ? -36.496 45.673 -34.283 1.00 60.48 ? 139 VAL B CA 1 ATOM 5288 C C . VAL B 1 141 ? -36.514 44.596 -33.205 1.00 58.59 ? 139 VAL B C 1 ATOM 5289 O O . VAL B 1 141 ? -35.787 44.679 -32.214 1.00 63.50 ? 139 VAL B O 1 ATOM 5290 C CB . VAL B 1 141 ? -35.801 45.101 -35.542 1.00 56.25 ? 139 VAL B CB 1 ATOM 5291 C CG1 . VAL B 1 141 ? -35.985 46.032 -36.724 1.00 51.45 ? 139 VAL B CG1 1 ATOM 5292 C CG2 . VAL B 1 141 ? -34.321 44.854 -35.269 1.00 52.75 ? 139 VAL B CG2 1 ATOM 5293 N N . ILE B 1 142 ? -37.368 43.599 -33.391 1.00 54.06 ? 140 ILE B N 1 ATOM 5294 C CA . ILE B 1 142 ? -37.287 42.380 -32.601 1.00 58.22 ? 140 ILE B CA 1 ATOM 5295 C C . ILE B 1 142 ? -36.399 41.388 -33.360 1.00 53.66 ? 140 ILE B C 1 ATOM 5296 O O . ILE B 1 142 ? -36.557 41.201 -34.572 1.00 55.65 ? 140 ILE B O 1 ATOM 5297 C CB . ILE B 1 142 ? -38.690 41.779 -32.330 1.00 61.04 ? 140 ILE B CB 1 ATOM 5298 C CG1 . ILE B 1 142 ? -39.509 42.717 -31.443 1.00 61.06 ? 140 ILE B CG1 1 ATOM 5299 C CG2 . ILE B 1 142 ? -38.581 40.412 -31.684 1.00 64.21 ? 140 ILE B CG2 1 ATOM 5300 C CD1 . ILE B 1 142 ? -40.756 42.085 -30.886 1.00 60.08 ? 140 ILE B CD1 1 ATOM 5301 N N . VAL B 1 143 ? -35.443 40.784 -32.658 1.00 49.86 ? 141 VAL B N 1 ATOM 5302 C CA . VAL B 1 143 ? -34.559 39.789 -33.268 1.00 40.05 ? 141 VAL B CA 1 ATOM 5303 C C . VAL B 1 143 ? -34.794 38.419 -32.659 1.00 44.50 ? 141 VAL B C 1 ATOM 5304 O O . VAL B 1 143 ? -34.885 38.278 -31.437 1.00 42.93 ? 141 VAL B O 1 ATOM 5305 C CB . VAL B 1 143 ? -33.075 40.163 -33.113 1.00 41.33 ? 141 VAL B CB 1 ATOM 5306 C CG1 . VAL B 1 143 ? -32.199 39.164 -33.810 1.00 38.88 ? 141 VAL B CG1 1 ATOM 5307 C CG2 . VAL B 1 143 ? -32.824 41.550 -33.676 1.00 50.36 ? 141 VAL B CG2 1 ATOM 5308 N N . VAL B 1 144 ? -34.903 37.415 -33.531 1.00 44.46 ? 142 VAL B N 1 ATOM 5309 C CA . VAL B 1 144 ? -35.094 36.032 -33.132 1.00 36.14 ? 142 VAL B CA 1 ATOM 5310 C C . VAL B 1 144 ? -34.013 35.161 -33.762 1.00 41.32 ? 142 VAL B C 1 ATOM 5311 O O . VAL B 1 144 ? -33.573 35.419 -34.889 1.00 43.52 ? 142 VAL B O 1 ATOM 5312 C CB . VAL B 1 144 ? -36.483 35.509 -33.580 1.00 46.16 ? 142 VAL B CB 1 ATOM 5313 C CG1 . VAL B 1 144 ? -36.695 34.050 -33.149 1.00 33.76 ? 142 VAL B CG1 1 ATOM 5314 C CG2 . VAL B 1 144 ? -37.589 36.390 -33.034 1.00 50.87 ? 142 VAL B CG2 1 ATOM 5315 N N . SER B 1 145 ? -33.576 34.139 -33.029 1.00 42.92 ? 143 SER B N 1 ATOM 5316 C CA . SER B 1 145 ? -32.693 33.121 -33.584 1.00 41.10 ? 143 SER B CA 1 ATOM 5317 C C . SER B 1 145 ? -32.979 31.760 -32.964 1.00 43.15 ? 143 SER B C 1 ATOM 5318 O O . SER B 1 145 ? -33.209 31.663 -31.764 1.00 53.68 ? 143 SER B O 1 ATOM 5319 C CB . SER B 1 145 ? -31.226 33.507 -33.385 1.00 37.78 ? 143 SER B CB 1 ATOM 5320 O OG . SER B 1 145 ? -30.923 33.684 -32.019 1.00 40.26 ? 143 SER B OG 1 ATOM 5321 N N . MET B 1 146 ? -32.970 30.712 -33.782 1.00 47.99 ? 144 MET B N 1 ATOM 5322 C CA . MET B 1 146 ? -33.219 29.353 -33.289 1.00 45.68 ? 144 MET B CA 1 ATOM 5323 C C . MET B 1 146 ? -31.996 28.456 -33.413 1.00 38.42 ? 144 MET B C 1 ATOM 5324 O O . MET B 1 146 ? -31.130 28.675 -34.257 1.00 37.67 ? 144 MET B O 1 ATOM 5325 C CB . MET B 1 146 ? -34.373 28.693 -34.054 1.00 38.36 ? 144 MET B CB 1 ATOM 5326 C CG . MET B 1 146 ? -33.955 28.051 -35.373 1.00 37.21 ? 144 MET B CG 1 ATOM 5327 S SD . MET B 1 146 ? -33.557 29.262 -36.665 1.00 42.65 ? 144 MET B SD 1 ATOM 5328 C CE . MET B 1 146 ? -35.195 29.832 -37.064 1.00 47.45 ? 144 MET B CE 1 ATOM 5329 N N . ASN B 1 147 ? -31.930 27.443 -32.561 1.00 37.62 ? 145 ASN B N 1 ATOM 5330 C CA . ASN B 1 147 ? -31.096 26.284 -32.854 1.00 40.90 ? 145 ASN B CA 1 ATOM 5331 C C . ASN B 1 147 ? -31.874 25.275 -33.675 1.00 36.88 ? 145 ASN B C 1 ATOM 5332 O O . ASN B 1 147 ? -33.035 24.993 -33.394 1.00 34.69 ? 145 ASN B O 1 ATOM 5333 C CB . ASN B 1 147 ? -30.583 25.640 -31.581 1.00 37.13 ? 145 ASN B CB 1 ATOM 5334 C CG . ASN B 1 147 ? -29.656 26.548 -30.824 1.00 37.14 ? 145 ASN B CG 1 ATOM 5335 O OD1 . ASN B 1 147 ? -29.096 27.476 -31.391 1.00 46.42 ? 145 ASN B OD1 1 ATOM 5336 N ND2 . ASN B 1 147 ? -29.481 26.285 -29.543 1.00 32.83 ? 145 ASN B ND2 1 ATOM 5337 N N . TYR B 1 148 ? -31.239 24.764 -34.720 1.00 39.09 ? 146 TYR B N 1 ATOM 5338 C CA . TYR B 1 148 ? -31.827 23.701 -35.529 1.00 36.25 ? 146 TYR B CA 1 ATOM 5339 C C . TYR B 1 148 ? -30.832 22.548 -35.588 1.00 37.24 ? 146 TYR B C 1 ATOM 5340 O O . TYR B 1 148 ? -29.622 22.771 -35.542 1.00 40.23 ? 146 TYR B O 1 ATOM 5341 C CB . TYR B 1 148 ? -32.174 24.206 -36.944 1.00 33.48 ? 146 TYR B CB 1 ATOM 5342 C CG . TYR B 1 148 ? -30.990 24.700 -37.766 1.00 32.92 ? 146 TYR B CG 1 ATOM 5343 C CD1 . TYR B 1 148 ? -30.255 23.826 -38.567 1.00 29.80 ? 146 TYR B CD1 1 ATOM 5344 C CD2 . TYR B 1 148 ? -30.609 26.044 -37.743 1.00 36.43 ? 146 TYR B CD2 1 ATOM 5345 C CE1 . TYR B 1 148 ? -29.178 24.273 -39.327 1.00 30.05 ? 146 TYR B CE1 1 ATOM 5346 C CE2 . TYR B 1 148 ? -29.530 26.500 -38.490 1.00 35.13 ? 146 TYR B CE2 1 ATOM 5347 C CZ . TYR B 1 148 ? -28.820 25.610 -39.282 1.00 34.84 ? 146 TYR B CZ 1 ATOM 5348 O OH . TYR B 1 148 ? -27.748 26.054 -40.024 1.00 29.32 ? 146 TYR B OH 1 ATOM 5349 N N . ARG B 1 149 ? -31.334 21.322 -35.689 1.00 34.84 ? 147 ARG B N 1 ATOM 5350 C CA . ARG B 1 149 ? -30.454 20.155 -35.741 1.00 33.65 ? 147 ARG B CA 1 ATOM 5351 C C . ARG B 1 149 ? -29.487 20.176 -36.923 1.00 29.99 ? 147 ARG B C 1 ATOM 5352 O O . ARG B 1 149 ? -29.882 20.423 -38.058 1.00 33.76 ? 147 ARG B O 1 ATOM 5353 C CB . ARG B 1 149 ? -31.274 18.874 -35.752 1.00 35.37 ? 147 ARG B CB 1 ATOM 5354 C CG . ARG B 1 149 ? -31.790 18.470 -34.377 1.00 40.16 ? 147 ARG B CG 1 ATOM 5355 C CD . ARG B 1 149 ? -32.763 17.322 -34.511 1.00 38.71 ? 147 ARG B CD 1 ATOM 5356 N NE . ARG B 1 149 ? -34.020 17.791 -35.062 1.00 36.87 ? 147 ARG B NE 1 ATOM 5357 C CZ . ARG B 1 149 ? -35.028 17.005 -35.404 1.00 39.15 ? 147 ARG B CZ 1 ATOM 5358 N NH1 . ARG B 1 149 ? -34.904 15.691 -35.267 1.00 36.11 ? 147 ARG B NH1 1 ATOM 5359 N NH2 . ARG B 1 149 ? -36.149 17.539 -35.890 1.00 37.14 ? 147 ARG B NH2 1 ATOM 5360 N N . VAL B 1 150 ? -28.211 19.937 -36.643 1.00 28.76 ? 148 VAL B N 1 ATOM 5361 C CA . VAL B 1 150 ? -27.202 19.839 -37.694 1.00 30.05 ? 148 VAL B CA 1 ATOM 5362 C C . VAL B 1 150 ? -26.651 18.407 -37.862 1.00 30.04 ? 148 VAL B C 1 ATOM 5363 O O . VAL B 1 150 ? -26.891 17.530 -37.033 1.00 29.39 ? 148 VAL B O 1 ATOM 5364 C CB . VAL B 1 150 ? -26.043 20.831 -37.434 1.00 33.71 ? 148 VAL B CB 1 ATOM 5365 C CG1 . VAL B 1 150 ? -26.482 22.252 -37.727 1.00 30.18 ? 148 VAL B CG1 1 ATOM 5366 C CG2 . VAL B 1 150 ? -25.577 20.726 -36.010 1.00 25.87 ? 148 VAL B CG2 1 ATOM 5367 N N . GLY B 1 151 ? -25.927 18.174 -38.949 1.00 26.79 ? 149 GLY B N 1 ATOM 5368 C CA . GLY B 1 151 ? -25.297 16.888 -39.186 1.00 24.82 ? 149 GLY B CA 1 ATOM 5369 C C . GLY B 1 151 ? -26.293 15.785 -39.501 1.00 37.57 ? 149 GLY B C 1 ATOM 5370 O O . GLY B 1 151 ? -27.419 16.052 -39.947 1.00 38.67 ? 149 GLY B O 1 ATOM 5371 N N . ALA B 1 152 ? -25.873 14.542 -39.280 1.00 32.78 ? 150 ALA B N 1 ATOM 5372 C CA . ALA B 1 152 ? -26.758 13.393 -39.477 1.00 36.14 ? 150 ALA B CA 1 ATOM 5373 C C . ALA B 1 152 ? -28.065 13.570 -38.709 1.00 35.74 ? 150 ALA B C 1 ATOM 5374 O O . ALA B 1 152 ? -29.138 13.392 -39.262 1.00 34.89 ? 150 ALA B O 1 ATOM 5375 C CB . ALA B 1 152 ? -26.066 12.084 -39.081 1.00 22.09 ? 150 ALA B CB 1 ATOM 5376 N N . LEU B 1 153 ? -27.966 13.951 -37.441 1.00 31.77 ? 151 LEU B N 1 ATOM 5377 C CA . LEU B 1 153 ? -29.146 14.138 -36.621 1.00 29.16 ? 151 LEU B CA 1 ATOM 5378 C C . LEU B 1 153 ? -30.136 15.107 -37.259 1.00 33.72 ? 151 LEU B C 1 ATOM 5379 O O . LEU B 1 153 ? -31.340 15.014 -37.016 1.00 36.85 ? 151 LEU B O 1 ATOM 5380 C CB . LEU B 1 153 ? -28.763 14.623 -35.221 1.00 30.85 ? 151 LEU B CB 1 ATOM 5381 C CG . LEU B 1 153 ? -27.990 13.668 -34.317 1.00 33.57 ? 151 LEU B CG 1 ATOM 5382 C CD1 . LEU B 1 153 ? -27.760 14.314 -32.972 1.00 34.31 ? 151 LEU B CD1 1 ATOM 5383 C CD2 . LEU B 1 153 ? -28.724 12.359 -34.144 1.00 33.53 ? 151 LEU B CD2 1 ATOM 5384 N N . GLY B 1 154 ? -29.624 16.047 -38.055 1.00 37.34 ? 152 GLY B N 1 ATOM 5385 C CA . GLY B 1 154 ? -30.463 17.032 -38.723 1.00 26.68 ? 152 GLY B CA 1 ATOM 5386 C C . GLY B 1 154 ? -30.851 16.683 -40.153 1.00 36.07 ? 152 GLY B C 1 ATOM 5387 O O . GLY B 1 154 ? -31.906 17.105 -40.615 1.00 41.76 ? 152 GLY B O 1 ATOM 5388 N N . PHE B 1 155 ? -30.016 15.905 -40.848 1.00 36.11 ? 153 PHE B N 1 ATOM 5389 C CA . PHE B 1 155 ? -30.139 15.750 -42.297 1.00 33.30 ? 153 PHE B CA 1 ATOM 5390 C C . PHE B 1 155 ? -29.950 14.318 -42.856 1.00 38.42 ? 153 PHE B C 1 ATOM 5391 O O . PHE B 1 155 ? -29.903 14.111 -44.081 1.00 36.01 ? 153 PHE B O 1 ATOM 5392 C CB . PHE B 1 155 ? -29.202 16.741 -42.998 1.00 29.55 ? 153 PHE B CB 1 ATOM 5393 C CG . PHE B 1 155 ? -29.562 18.177 -42.749 1.00 27.08 ? 153 PHE B CG 1 ATOM 5394 C CD1 . PHE B 1 155 ? -30.489 18.815 -43.540 1.00 30.27 ? 153 PHE B CD1 1 ATOM 5395 C CD2 . PHE B 1 155 ? -29.001 18.874 -41.691 1.00 33.76 ? 153 PHE B CD2 1 ATOM 5396 C CE1 . PHE B 1 155 ? -30.840 20.126 -43.301 1.00 27.05 ? 153 PHE B CE1 1 ATOM 5397 C CE2 . PHE B 1 155 ? -29.345 20.180 -41.437 1.00 29.38 ? 153 PHE B CE2 1 ATOM 5398 C CZ . PHE B 1 155 ? -30.269 20.809 -42.246 1.00 32.69 ? 153 PHE B CZ 1 ATOM 5399 N N . LEU B 1 156 ? -29.859 13.338 -41.963 1.00 23.64 ? 154 LEU B N 1 ATOM 5400 C CA . LEU B 1 156 ? -29.821 11.948 -42.376 1.00 31.12 ? 154 LEU B CA 1 ATOM 5401 C C . LEU B 1 156 ? -31.090 11.676 -43.151 1.00 43.86 ? 154 LEU B C 1 ATOM 5402 O O . LEU B 1 156 ? -32.178 12.035 -42.697 1.00 42.57 ? 154 LEU B O 1 ATOM 5403 C CB . LEU B 1 156 ? -29.770 11.024 -41.168 1.00 34.91 ? 154 LEU B CB 1 ATOM 5404 C CG . LEU B 1 156 ? -29.548 9.558 -41.498 1.00 38.43 ? 154 LEU B CG 1 ATOM 5405 C CD1 . LEU B 1 156 ? -28.138 9.200 -41.148 1.00 41.15 ? 154 LEU B CD1 1 ATOM 5406 C CD2 . LEU B 1 156 ? -30.535 8.675 -40.757 1.00 34.51 ? 154 LEU B CD2 1 ATOM 5407 N N . ALA B 1 157 ? -30.946 11.051 -44.319 1.00 39.27 ? 155 ALA B N 1 ATOM 5408 C CA . ALA B 1 157 ? -32.088 10.813 -45.190 1.00 41.82 ? 155 ALA B CA 1 ATOM 5409 C C . ALA B 1 157 ? -32.153 9.390 -45.739 1.00 46.78 ? 155 ALA B C 1 ATOM 5410 O O . ALA B 1 157 ? -31.241 8.924 -46.433 1.00 39.41 ? 155 ALA B O 1 ATOM 5411 C CB . ALA B 1 157 ? -32.109 11.821 -46.342 1.00 30.99 ? 155 ALA B CB 1 ATOM 5412 N N . LEU B 1 158 ? -33.246 8.712 -45.408 1.00 46.81 ? 156 LEU B N 1 ATOM 5413 C CA . LEU B 1 158 ? -33.683 7.533 -46.138 1.00 52.17 ? 156 LEU B CA 1 ATOM 5414 C C . LEU B 1 158 ? -34.936 7.935 -46.895 1.00 50.88 ? 156 LEU B C 1 ATOM 5415 O O . LEU B 1 158 ? -36.043 7.669 -46.436 1.00 52.04 ? 156 LEU B O 1 ATOM 5416 C CB . LEU B 1 158 ? -34.000 6.406 -45.173 1.00 49.22 ? 156 LEU B CB 1 ATOM 5417 C CG . LEU B 1 158 ? -32.755 5.663 -44.725 1.00 53.28 ? 156 LEU B CG 1 ATOM 5418 C CD1 . LEU B 1 158 ? -33.143 4.593 -43.737 1.00 58.39 ? 156 LEU B CD1 1 ATOM 5419 C CD2 . LEU B 1 158 ? -32.072 5.051 -45.937 1.00 56.12 ? 156 LEU B CD2 1 ATOM 5420 N N . PRO B 1 159 ? -34.758 8.589 -48.054 1.00 46.61 ? 157 PRO B N 1 ATOM 5421 C CA . PRO B 1 159 ? -35.813 9.327 -48.760 1.00 47.55 ? 157 PRO B CA 1 ATOM 5422 C C . PRO B 1 159 ? -37.093 8.537 -48.950 1.00 57.16 ? 157 PRO B C 1 ATOM 5423 O O . PRO B 1 159 ? -37.052 7.400 -49.415 1.00 70.18 ? 157 PRO B O 1 ATOM 5424 C CB . PRO B 1 159 ? -35.166 9.645 -50.108 1.00 45.89 ? 157 PRO B CB 1 ATOM 5425 C CG . PRO B 1 159 ? -33.699 9.734 -49.788 1.00 45.88 ? 157 PRO B CG 1 ATOM 5426 C CD . PRO B 1 159 ? -33.479 8.635 -48.784 1.00 47.43 ? 157 PRO B CD 1 ATOM 5427 N N . GLY B 1 160 ? -38.218 9.134 -48.570 1.00 57.45 ? 158 GLY B N 1 ATOM 5428 C CA . GLY B 1 160 ? -39.503 8.461 -48.659 1.00 58.78 ? 158 GLY B CA 1 ATOM 5429 C C . GLY B 1 160 ? -39.932 7.786 -47.370 1.00 57.67 ? 158 GLY B C 1 ATOM 5430 O O . GLY B 1 160 ? -41.061 7.307 -47.268 1.00 68.46 ? 158 GLY B O 1 ATOM 5431 N N . ASN B 1 161 ? -39.034 7.756 -46.387 1.00 51.14 ? 159 ASN B N 1 ATOM 5432 C CA . ASN B 1 161 ? -39.304 7.143 -45.086 1.00 50.83 ? 159 ASN B CA 1 ATOM 5433 C C . ASN B 1 161 ? -39.515 8.191 -43.996 1.00 54.38 ? 159 ASN B C 1 ATOM 5434 O O . ASN B 1 161 ? -38.587 8.911 -43.627 1.00 58.53 ? 159 ASN B O 1 ATOM 5435 C CB . ASN B 1 161 ? -38.143 6.221 -44.694 1.00 51.43 ? 159 ASN B CB 1 ATOM 5436 C CG . ASN B 1 161 ? -38.492 5.275 -43.559 1.00 61.56 ? 159 ASN B CG 1 ATOM 5437 O OD1 . ASN B 1 161 ? -39.362 5.556 -42.734 1.00 69.71 ? 159 ASN B OD1 1 ATOM 5438 N ND2 . ASN B 1 161 ? -37.806 4.138 -43.513 1.00 64.41 ? 159 ASN B ND2 1 ATOM 5439 N N . PRO B 1 162 ? -40.736 8.271 -43.459 1.00 57.20 ? 160 PRO B N 1 ATOM 5440 C CA . PRO B 1 162 ? -41.032 9.255 -42.410 1.00 58.54 ? 160 PRO B CA 1 ATOM 5441 C C . PRO B 1 162 ? -40.196 9.092 -41.128 1.00 59.10 ? 160 PRO B C 1 ATOM 5442 O O . PRO B 1 162 ? -40.096 10.047 -40.351 1.00 60.32 ? 160 PRO B O 1 ATOM 5443 C CB . PRO B 1 162 ? -42.527 9.042 -42.139 1.00 58.49 ? 160 PRO B CB 1 ATOM 5444 C CG . PRO B 1 162 ? -42.832 7.683 -42.674 1.00 58.04 ? 160 PRO B CG 1 ATOM 5445 C CD . PRO B 1 162 ? -41.924 7.495 -43.844 1.00 57.29 ? 160 PRO B CD 1 ATOM 5446 N N . GLU B 1 163 ? -39.590 7.925 -40.918 1.00 57.38 ? 161 GLU B N 1 ATOM 5447 C CA . GLU B 1 163 ? -38.743 7.712 -39.737 1.00 60.27 ? 161 GLU B CA 1 ATOM 5448 C C . GLU B 1 163 ? -37.371 8.415 -39.834 1.00 57.00 ? 161 GLU B C 1 ATOM 5449 O O . GLU B 1 163 ? -36.682 8.603 -38.815 1.00 55.58 ? 161 GLU B O 1 ATOM 5450 C CB . GLU B 1 163 ? -38.555 6.214 -39.455 1.00 65.77 ? 161 GLU B CB 1 ATOM 5451 C CG . GLU B 1 163 ? -39.853 5.419 -39.239 1.00 79.47 ? 161 GLU B CG 1 ATOM 5452 C CD . GLU B 1 163 ? -40.502 5.643 -37.870 1.00 87.25 ? 161 GLU B CD 1 ATOM 5453 O OE1 . GLU B 1 163 ? -39.780 5.936 -36.891 1.00 86.53 ? 161 GLU B OE1 1 ATOM 5454 O OE2 . GLU B 1 163 ? -41.746 5.522 -37.774 1.00 90.27 ? 161 GLU B OE2 1 ATOM 5455 N N . ALA B 1 164 ? -36.979 8.790 -41.053 1.00 44.28 ? 162 ALA B N 1 ATOM 5456 C CA . ALA B 1 164 ? -35.744 9.553 -41.284 1.00 48.07 ? 162 ALA B CA 1 ATOM 5457 C C . ALA B 1 164 ? -35.803 10.215 -42.660 1.00 49.72 ? 162 ALA B C 1 ATOM 5458 O O . ALA B 1 164 ? -35.165 9.762 -43.619 1.00 44.98 ? 162 ALA B O 1 ATOM 5459 C CB . ALA B 1 164 ? -34.518 8.658 -41.161 1.00 41.98 ? 162 ALA B CB 1 ATOM 5460 N N . PRO B 1 165 ? -36.584 11.299 -42.762 1.00 44.58 ? 163 PRO B N 1 ATOM 5461 C CA . PRO B 1 165 ? -36.985 11.709 -44.112 1.00 42.40 ? 163 PRO B CA 1 ATOM 5462 C C . PRO B 1 165 ? -36.023 12.652 -44.810 1.00 39.94 ? 163 PRO B C 1 ATOM 5463 O O . PRO B 1 165 ? -36.170 12.863 -46.013 1.00 41.38 ? 163 PRO B O 1 ATOM 5464 C CB . PRO B 1 165 ? -38.354 12.359 -43.893 1.00 28.79 ? 163 PRO B CB 1 ATOM 5465 C CG . PRO B 1 165 ? -38.354 12.793 -42.478 1.00 41.19 ? 163 PRO B CG 1 ATOM 5466 C CD . PRO B 1 165 ? -37.379 11.948 -41.706 1.00 37.04 ? 163 PRO B CD 1 ATOM 5467 N N . GLY B 1 166 ? -35.044 13.183 -44.093 1.00 33.25 ? 164 GLY B N 1 ATOM 5468 C CA . GLY B 1 166 ? -34.208 14.231 -44.651 1.00 38.36 ? 164 GLY B CA 1 ATOM 5469 C C . GLY B 1 166 ? -34.749 15.614 -44.302 1.00 44.74 ? 164 GLY B C 1 ATOM 5470 O O . GLY B 1 166 ? -35.929 15.761 -43.977 1.00 44.54 ? 164 GLY B O 1 ATOM 5471 N N . ASN B 1 167 ? -33.874 16.619 -44.338 1.00 44.54 ? 165 ASN B N 1 ATOM 5472 C CA . ASN B 1 167 ? -34.252 18.010 -44.094 1.00 34.40 ? 165 ASN B CA 1 ATOM 5473 C C . ASN B 1 167 ? -34.868 18.277 -42.729 1.00 39.01 ? 165 ASN B C 1 ATOM 5474 O O . ASN B 1 167 ? -35.601 19.244 -42.574 1.00 48.29 ? 165 ASN B O 1 ATOM 5475 C CB . ASN B 1 167 ? -35.221 18.517 -45.171 1.00 34.90 ? 165 ASN B CB 1 ATOM 5476 C CG . ASN B 1 167 ? -34.590 18.592 -46.548 1.00 38.36 ? 165 ASN B CG 1 ATOM 5477 O OD1 . ASN B 1 167 ? -33.368 18.674 -46.689 1.00 41.18 ? 165 ASN B OD1 1 ATOM 5478 N ND2 . ASN B 1 167 ? -35.427 18.558 -47.576 1.00 43.16 ? 165 ASN B ND2 1 ATOM 5479 N N . MET B 1 168 ? -34.587 17.435 -41.743 1.00 36.56 ? 166 MET B N 1 ATOM 5480 C CA . MET B 1 168 ? -35.172 17.637 -40.422 1.00 38.26 ? 166 MET B CA 1 ATOM 5481 C C . MET B 1 168 ? -34.797 18.989 -39.798 1.00 41.62 ? 166 MET B C 1 ATOM 5482 O O . MET B 1 168 ? -35.634 19.619 -39.153 1.00 42.18 ? 166 MET B O 1 ATOM 5483 C CB . MET B 1 168 ? -34.836 16.476 -39.480 1.00 34.15 ? 166 MET B CB 1 ATOM 5484 C CG . MET B 1 168 ? -35.420 15.137 -39.927 1.00 38.95 ? 166 MET B CG 1 ATOM 5485 S SD . MET B 1 168 ? -34.321 14.211 -41.014 1.00 42.62 ? 166 MET B SD 1 ATOM 5486 C CE . MET B 1 168 ? -33.043 13.780 -39.841 1.00 35.98 ? 166 MET B CE 1 ATOM 5487 N N . GLY B 1 169 ? -33.548 19.424 -39.995 1.00 36.84 ? 167 GLY B N 1 ATOM 5488 C CA . GLY B 1 169 ? -33.083 20.711 -39.501 1.00 28.61 ? 167 GLY B CA 1 ATOM 5489 C C . GLY B 1 169 ? -33.814 21.867 -40.192 1.00 39.92 ? 167 GLY B C 1 ATOM 5490 O O . GLY B 1 169 ? -34.091 22.905 -39.587 1.00 26.70 ? 167 GLY B O 1 ATOM 5491 N N . LEU B 1 170 ? -34.125 21.687 -41.474 1.00 31.74 ? 168 LEU B N 1 ATOM 5492 C CA . LEU B 1 170 ? -34.916 22.670 -42.195 1.00 35.64 ? 168 LEU B CA 1 ATOM 5493 C C . LEU B 1 170 ? -36.336 22.770 -41.608 1.00 39.84 ? 168 LEU B C 1 ATOM 5494 O O . LEU B 1 170 ? -36.904 23.857 -41.513 1.00 37.88 ? 168 LEU B O 1 ATOM 5495 C CB . LEU B 1 170 ? -34.942 22.348 -43.698 1.00 28.54 ? 168 LEU B CB 1 ATOM 5496 C CG . LEU B 1 170 ? -33.639 22.626 -44.453 1.00 36.95 ? 168 LEU B CG 1 ATOM 5497 C CD1 . LEU B 1 170 ? -33.661 22.038 -45.862 1.00 36.78 ? 168 LEU B CD1 1 ATOM 5498 C CD2 . LEU B 1 170 ? -33.366 24.126 -44.510 1.00 31.61 ? 168 LEU B CD2 1 ATOM 5499 N N . PHE B 1 171 ? -36.906 21.643 -41.197 1.00 35.01 ? 169 PHE B N 1 ATOM 5500 C CA . PHE B 1 171 ? -38.235 21.679 -40.593 1.00 45.71 ? 169 PHE B CA 1 ATOM 5501 C C . PHE B 1 171 ? -38.191 22.305 -39.211 1.00 45.99 ? 169 PHE B C 1 ATOM 5502 O O . PHE B 1 171 ? -39.169 22.915 -38.776 1.00 45.15 ? 169 PHE B O 1 ATOM 5503 C CB . PHE B 1 171 ? -38.870 20.289 -40.530 1.00 43.36 ? 169 PHE B CB 1 ATOM 5504 C CG . PHE B 1 171 ? -39.486 19.860 -41.815 1.00 48.35 ? 169 PHE B CG 1 ATOM 5505 C CD1 . PHE B 1 171 ? -40.723 20.361 -42.203 1.00 49.57 ? 169 PHE B CD1 1 ATOM 5506 C CD2 . PHE B 1 171 ? -38.828 18.959 -42.651 1.00 48.08 ? 169 PHE B CD2 1 ATOM 5507 C CE1 . PHE B 1 171 ? -41.313 19.970 -43.408 1.00 47.31 ? 169 PHE B CE1 1 ATOM 5508 C CE2 . PHE B 1 171 ? -39.405 18.555 -43.846 1.00 47.82 ? 169 PHE B CE2 1 ATOM 5509 C CZ . PHE B 1 171 ? -40.658 19.066 -44.226 1.00 50.19 ? 169 PHE B CZ 1 ATOM 5510 N N . ASP B 1 172 ? -37.060 22.130 -38.526 1.00 38.35 ? 170 ASP B N 1 ATOM 5511 C CA . ASP B 1 172 ? -36.805 22.814 -37.261 1.00 42.00 ? 170 ASP B CA 1 ATOM 5512 C C . ASP B 1 172 ? -36.941 24.332 -37.451 1.00 44.90 ? 170 ASP B C 1 ATOM 5513 O O . ASP B 1 172 ? -37.714 25.002 -36.754 1.00 42.60 ? 170 ASP B O 1 ATOM 5514 C CB . ASP B 1 172 ? -35.410 22.465 -36.720 1.00 38.46 ? 170 ASP B CB 1 ATOM 5515 C CG . ASP B 1 172 ? -35.293 20.999 -36.244 1.00 40.44 ? 170 ASP B CG 1 ATOM 5516 O OD1 . ASP B 1 172 ? -36.325 20.309 -36.099 1.00 37.79 ? 170 ASP B OD1 1 ATOM 5517 O OD2 . ASP B 1 172 ? -34.151 20.536 -36.004 1.00 39.50 ? 170 ASP B OD2 1 ATOM 5518 N N . GLN B 1 173 ? -36.205 24.864 -38.422 1.00 37.53 ? 171 GLN B N 1 ATOM 5519 C CA . GLN B 1 173 ? -36.237 26.283 -38.705 1.00 38.36 ? 171 GLN B CA 1 ATOM 5520 C C . GLN B 1 173 ? -37.665 26.718 -39.043 1.00 43.50 ? 171 GLN B C 1 ATOM 5521 O O . GLN B 1 173 ? -38.142 27.751 -38.571 1.00 40.74 ? 171 GLN B O 1 ATOM 5522 C CB . GLN B 1 173 ? -35.316 26.601 -39.875 1.00 37.61 ? 171 GLN B CB 1 ATOM 5523 C CG . GLN B 1 173 ? -33.835 26.370 -39.630 1.00 31.16 ? 171 GLN B CG 1 ATOM 5524 C CD . GLN B 1 173 ? -33.064 26.385 -40.939 1.00 33.97 ? 171 GLN B CD 1 ATOM 5525 O OE1 . GLN B 1 173 ? -33.552 26.913 -41.939 1.00 38.28 ? 171 GLN B OE1 1 ATOM 5526 N NE2 . GLN B 1 173 ? -31.873 25.782 -40.950 1.00 29.52 ? 171 GLN B NE2 1 ATOM 5527 N N . GLN B 1 174 ? -38.342 25.915 -39.856 1.00 40.69 ? 172 GLN B N 1 ATOM 5528 C CA . GLN B 1 174 ? -39.687 26.242 -40.298 1.00 37.63 ? 172 GLN B CA 1 ATOM 5529 C C . GLN B 1 174 ? -40.666 26.199 -39.131 1.00 39.48 ? 172 GLN B C 1 ATOM 5530 O O . GLN B 1 174 ? -41.629 26.969 -39.084 1.00 46.25 ? 172 GLN B O 1 ATOM 5531 C CB . GLN B 1 174 ? -40.140 25.306 -41.420 1.00 43.68 ? 172 GLN B CB 1 ATOM 5532 C CG . GLN B 1 174 ? -41.446 25.719 -42.071 1.00 48.23 ? 172 GLN B CG 1 ATOM 5533 C CD . GLN B 1 174 ? -41.965 24.685 -43.044 1.00 51.64 ? 172 GLN B CD 1 ATOM 5534 O OE1 . GLN B 1 174 ? -42.577 23.689 -42.642 1.00 53.31 ? 172 GLN B OE1 1 ATOM 5535 N NE2 . GLN B 1 174 ? -41.731 24.915 -44.338 1.00 48.00 ? 172 GLN B NE2 1 ATOM 5536 N N . LEU B 1 175 ? -40.407 25.317 -38.176 1.00 40.03 ? 173 LEU B N 1 ATOM 5537 C CA . LEU B 1 175 ? -41.245 25.252 -36.981 1.00 46.85 ? 173 LEU B CA 1 ATOM 5538 C C . LEU B 1 175 ? -40.997 26.473 -36.106 1.00 38.24 ? 173 LEU B C 1 ATOM 5539 O O . LEU B 1 175 ? -41.920 26.990 -35.499 1.00 45.35 ? 173 LEU B O 1 ATOM 5540 C CB . LEU B 1 175 ? -41.030 23.943 -36.190 1.00 42.43 ? 173 LEU B CB 1 ATOM 5541 C CG . LEU B 1 175 ? -42.022 23.725 -35.041 1.00 45.67 ? 173 LEU B CG 1 ATOM 5542 C CD1 . LEU B 1 175 ? -43.451 23.851 -35.528 1.00 47.08 ? 173 LEU B CD1 1 ATOM 5543 C CD2 . LEU B 1 175 ? -41.823 22.383 -34.343 1.00 45.31 ? 173 LEU B CD2 1 ATOM 5544 N N . ALA B 1 176 ? -39.750 26.931 -36.049 1.00 37.13 ? 174 ALA B N 1 ATOM 5545 C CA . ALA B 1 176 ? -39.433 28.156 -35.314 1.00 43.19 ? 174 ALA B CA 1 ATOM 5546 C C . ALA B 1 176 ? -40.080 29.382 -35.967 1.00 48.10 ? 174 ALA B C 1 ATOM 5547 O O . ALA B 1 176 ? -40.509 30.300 -35.271 1.00 50.74 ? 174 ALA B O 1 ATOM 5548 C CB . ALA B 1 176 ? -37.936 28.343 -35.187 1.00 38.03 ? 174 ALA B CB 1 ATOM 5549 N N . LEU B 1 177 ? -40.153 29.389 -37.299 1.00 47.79 ? 175 LEU B N 1 ATOM 5550 C CA . LEU B 1 177 ? -40.847 30.452 -38.021 1.00 46.91 ? 175 LEU B CA 1 ATOM 5551 C C . LEU B 1 177 ? -42.336 30.422 -37.708 1.00 52.49 ? 175 LEU B C 1 ATOM 5552 O O . LEU B 1 177 ? -42.981 31.458 -37.603 1.00 51.34 ? 175 LEU B O 1 ATOM 5553 C CB . LEU B 1 177 ? -40.660 30.317 -39.530 1.00 48.27 ? 175 LEU B CB 1 ATOM 5554 C CG . LEU B 1 177 ? -39.262 30.343 -40.144 1.00 48.06 ? 175 LEU B CG 1 ATOM 5555 C CD1 . LEU B 1 177 ? -39.382 30.740 -41.595 1.00 47.87 ? 175 LEU B CD1 1 ATOM 5556 C CD2 . LEU B 1 177 ? -38.291 31.261 -39.401 1.00 44.17 ? 175 LEU B CD2 1 ATOM 5557 N N . GLN B 1 178 ? -42.876 29.217 -37.567 1.00 62.35 ? 176 GLN B N 1 ATOM 5558 C CA . GLN B 1 178 ? -44.287 29.030 -37.255 1.00 63.51 ? 176 GLN B CA 1 ATOM 5559 C C . GLN B 1 178 ? -44.571 29.569 -35.851 1.00 63.38 ? 176 GLN B C 1 ATOM 5560 O O . GLN B 1 178 ? -45.649 30.111 -35.582 1.00 59.74 ? 176 GLN B O 1 ATOM 5561 C CB . GLN B 1 178 ? -44.644 27.541 -37.347 1.00 63.56 ? 176 GLN B CB 1 ATOM 5562 C CG . GLN B 1 178 ? -46.076 27.238 -37.770 1.00 75.82 ? 176 GLN B CG 1 ATOM 5563 C CD . GLN B 1 178 ? -46.147 26.251 -38.929 1.00 84.79 ? 176 GLN B CD 1 ATOM 5564 O OE1 . GLN B 1 178 ? -45.213 25.477 -39.168 1.00 80.87 ? 176 GLN B OE1 1 ATOM 5565 N NE2 . GLN B 1 178 ? -47.257 26.281 -39.660 1.00 91.67 ? 176 GLN B NE2 1 ATOM 5566 N N . TRP B 1 179 ? -43.585 29.424 -34.967 1.00 57.01 ? 177 TRP B N 1 ATOM 5567 C CA . TRP B 1 179 ? -43.697 29.888 -33.587 1.00 54.48 ? 177 TRP B CA 1 ATOM 5568 C C . TRP B 1 179 ? -43.814 31.408 -33.528 1.00 50.06 ? 177 TRP B C 1 ATOM 5569 O O . TRP B 1 179 ? -44.620 31.951 -32.776 1.00 55.27 ? 177 TRP B O 1 ATOM 5570 C CB . TRP B 1 179 ? -42.484 29.423 -32.768 1.00 56.01 ? 177 TRP B CB 1 ATOM 5571 C CG . TRP B 1 179 ? -42.560 29.825 -31.328 1.00 53.71 ? 177 TRP B CG 1 ATOM 5572 C CD1 . TRP B 1 179 ? -43.127 29.116 -30.316 1.00 59.64 ? 177 TRP B CD1 1 ATOM 5573 C CD2 . TRP B 1 179 ? -42.060 31.035 -30.742 1.00 52.06 ? 177 TRP B CD2 1 ATOM 5574 N NE1 . TRP B 1 179 ? -43.019 29.807 -29.132 1.00 66.35 ? 177 TRP B NE1 1 ATOM 5575 C CE2 . TRP B 1 179 ? -42.370 30.991 -29.366 1.00 58.69 ? 177 TRP B CE2 1 ATOM 5576 C CE3 . TRP B 1 179 ? -41.393 32.156 -31.247 1.00 59.67 ? 177 TRP B CE3 1 ATOM 5577 C CZ2 . TRP B 1 179 ? -42.026 32.019 -28.486 1.00 54.51 ? 177 TRP B CZ2 1 ATOM 5578 C CZ3 . TRP B 1 179 ? -41.055 33.185 -30.368 1.00 61.74 ? 177 TRP B CZ3 1 ATOM 5579 C CH2 . TRP B 1 179 ? -41.372 33.105 -29.005 1.00 57.72 ? 177 TRP B CH2 1 ATOM 5580 N N . VAL B 1 180 ? -42.991 32.082 -34.323 1.00 46.77 ? 178 VAL B N 1 ATOM 5581 C CA . VAL B 1 180 ? -43.002 33.531 -34.418 1.00 49.57 ? 178 VAL B CA 1 ATOM 5582 C C . VAL B 1 180 ? -44.385 34.025 -34.842 1.00 58.72 ? 178 VAL B C 1 ATOM 5583 O O . VAL B 1 180 ? -44.957 34.933 -34.233 1.00 51.91 ? 178 VAL B O 1 ATOM 5584 C CB . VAL B 1 180 ? -41.978 34.000 -35.449 1.00 45.82 ? 178 VAL B CB 1 ATOM 5585 C CG1 . VAL B 1 180 ? -42.166 35.482 -35.744 1.00 41.49 ? 178 VAL B CG1 1 ATOM 5586 C CG2 . VAL B 1 180 ? -40.542 33.679 -34.975 1.00 36.65 ? 178 VAL B CG2 1 ATOM 5587 N N . GLN B 1 181 ? -44.921 33.399 -35.882 1.00 59.67 ? 179 GLN B N 1 ATOM 5588 C CA . GLN B 1 181 ? -46.225 33.755 -36.404 1.00 61.22 ? 179 GLN B CA 1 ATOM 5589 C C . GLN B 1 181 ? -47.321 33.719 -35.341 1.00 68.45 ? 179 GLN B C 1 ATOM 5590 O O . GLN B 1 181 ? -48.149 34.629 -35.256 1.00 70.10 ? 179 GLN B O 1 ATOM 5591 C CB . GLN B 1 181 ? -46.568 32.834 -37.564 1.00 63.01 ? 179 GLN B CB 1 ATOM 5592 C CG . GLN B 1 181 ? -45.728 33.108 -38.794 1.00 64.57 ? 179 GLN B CG 1 ATOM 5593 C CD . GLN B 1 181 ? -45.983 34.503 -39.348 1.00 69.33 ? 179 GLN B CD 1 ATOM 5594 O OE1 . GLN B 1 181 ? -47.117 34.844 -39.703 1.00 72.48 ? 179 GLN B OE1 1 ATOM 5595 N NE2 . GLN B 1 181 ? -44.935 35.322 -39.401 1.00 55.43 ? 179 GLN B NE2 1 ATOM 5596 N N . LYS B 1 182 ? -47.303 32.676 -34.519 1.00 70.25 ? 180 LYS B N 1 ATOM 5597 C CA . LYS B 1 182 ? -48.321 32.484 -33.493 1.00 67.98 ? 180 LYS B CA 1 ATOM 5598 C C . LYS B 1 182 ? -48.076 33.309 -32.229 1.00 63.55 ? 180 LYS B C 1 ATOM 5599 O O . LYS B 1 182 ? -49.009 33.587 -31.482 1.00 76.07 ? 180 LYS B O 1 ATOM 5600 C CB . LYS B 1 182 ? -48.428 31.001 -33.123 1.00 69.41 ? 180 LYS B CB 1 ATOM 5601 C CG . LYS B 1 182 ? -48.693 30.073 -34.306 1.00 79.51 ? 180 LYS B CG 1 ATOM 5602 C CD . LYS B 1 182 ? -49.170 28.694 -33.852 1.00 89.38 ? 180 LYS B CD 1 ATOM 5603 C CE . LYS B 1 182 ? -48.249 28.097 -32.793 1.00 98.31 ? 180 LYS B CE 1 ATOM 5604 N NZ . LYS B 1 182 ? -48.674 26.734 -32.352 1.00 102.68 ? 180 LYS B NZ 1 ATOM 5605 N N . ASN B 1 183 ? -46.833 33.713 -32.002 1.00 57.51 ? 181 ASN B N 1 ATOM 5606 C CA . ASN B 1 183 ? -46.431 34.251 -30.706 1.00 61.28 ? 181 ASN B CA 1 ATOM 5607 C C . ASN B 1 183 ? -45.806 35.649 -30.672 1.00 66.06 ? 181 ASN B C 1 ATOM 5608 O O . ASN B 1 183 ? -45.734 36.253 -29.607 1.00 68.60 ? 181 ASN B O 1 ATOM 5609 C CB . ASN B 1 183 ? -45.458 33.282 -30.027 1.00 67.12 ? 181 ASN B CB 1 ATOM 5610 C CG . ASN B 1 183 ? -46.089 31.936 -29.719 1.00 78.00 ? 181 ASN B CG 1 ATOM 5611 O OD1 . ASN B 1 183 ? -46.795 31.776 -28.717 1.00 74.67 ? 181 ASN B OD1 1 ATOM 5612 N ND2 . ASN B 1 183 ? -45.829 30.954 -30.575 1.00 81.97 ? 181 ASN B ND2 1 ATOM 5613 N N . ILE B 1 184 ? -45.336 36.162 -31.806 1.00 65.67 ? 182 ILE B N 1 ATOM 5614 C CA . ILE B 1 184 ? -44.531 37.388 -31.773 1.00 70.40 ? 182 ILE B CA 1 ATOM 5615 C C . ILE B 1 184 ? -45.325 38.669 -31.485 1.00 76.11 ? 182 ILE B C 1 ATOM 5616 O O . ILE B 1 184 ? -44.758 39.660 -31.029 1.00 86.34 ? 182 ILE B O 1 ATOM 5617 C CB . ILE B 1 184 ? -43.675 37.575 -33.052 1.00 51.86 ? 182 ILE B CB 1 ATOM 5618 C CG1 . ILE B 1 184 ? -42.409 38.374 -32.738 1.00 53.83 ? 182 ILE B CG1 1 ATOM 5619 C CG2 . ILE B 1 184 ? -44.482 38.218 -34.175 1.00 53.36 ? 182 ILE B CG2 1 ATOM 5620 C CD1 . ILE B 1 184 ? -41.360 37.564 -31.991 1.00 53.07 ? 182 ILE B CD1 1 ATOM 5621 N N . ALA B 1 185 ? -46.626 38.658 -31.749 1.00 68.51 ? 183 ALA B N 1 ATOM 5622 C CA . ALA B 1 185 ? -47.451 39.822 -31.438 1.00 71.88 ? 183 ALA B CA 1 ATOM 5623 C C . ALA B 1 185 ? -47.461 40.079 -29.933 1.00 74.74 ? 183 ALA B C 1 ATOM 5624 O O . ALA B 1 185 ? -47.581 41.218 -29.486 1.00 76.37 ? 183 ALA B O 1 ATOM 5625 C CB . ALA B 1 185 ? -48.874 39.635 -31.960 1.00 69.37 ? 183 ALA B CB 1 ATOM 5626 N N . ALA B 1 186 ? -47.317 39.002 -29.163 1.00 75.75 ? 184 ALA B N 1 ATOM 5627 C CA . ALA B 1 186 ? -47.322 39.058 -27.702 1.00 70.90 ? 184 ALA B CA 1 ATOM 5628 C C . ALA B 1 186 ? -46.038 39.671 -27.170 1.00 73.58 ? 184 ALA B C 1 ATOM 5629 O O . ALA B 1 186 ? -45.930 40.003 -25.987 1.00 78.30 ? 184 ALA B O 1 ATOM 5630 C CB . ALA B 1 186 ? -47.505 37.664 -27.132 1.00 61.96 ? 184 ALA B CB 1 ATOM 5631 N N . PHE B 1 187 ? -45.061 39.804 -28.056 1.00 67.63 ? 185 PHE B N 1 ATOM 5632 C CA . PHE B 1 187 ? -43.775 40.379 -27.712 1.00 68.42 ? 185 PHE B CA 1 ATOM 5633 C C . PHE B 1 187 ? -43.708 41.786 -28.297 1.00 72.43 ? 185 PHE B C 1 ATOM 5634 O O . PHE B 1 187 ? -42.721 42.500 -28.128 1.00 77.32 ? 185 PHE B O 1 ATOM 5635 C CB . PHE B 1 187 ? -42.645 39.495 -28.261 1.00 69.55 ? 185 PHE B CB 1 ATOM 5636 C CG . PHE B 1 187 ? -42.425 38.221 -27.476 1.00 70.49 ? 185 PHE B CG 1 ATOM 5637 C CD1 . PHE B 1 187 ? -41.542 38.190 -26.404 1.00 69.23 ? 185 PHE B CD1 1 ATOM 5638 C CD2 . PHE B 1 187 ? -43.098 37.057 -27.810 1.00 72.55 ? 185 PHE B CD2 1 ATOM 5639 C CE1 . PHE B 1 187 ? -41.340 37.029 -25.676 1.00 67.68 ? 185 PHE B CE1 1 ATOM 5640 C CE2 . PHE B 1 187 ? -42.898 35.885 -27.086 1.00 69.20 ? 185 PHE B CE2 1 ATOM 5641 C CZ . PHE B 1 187 ? -42.018 35.873 -26.018 1.00 67.42 ? 185 PHE B CZ 1 ATOM 5642 N N . GLY B 1 188 ? -44.773 42.178 -28.988 1.00 72.96 ? 186 GLY B N 1 ATOM 5643 C CA . GLY B 1 188 ? -44.842 43.492 -29.598 1.00 76.69 ? 186 GLY B CA 1 ATOM 5644 C C . GLY B 1 188 ? -44.318 43.525 -31.021 1.00 79.93 ? 186 GLY B C 1 ATOM 5645 O O . GLY B 1 188 ? -44.048 44.598 -31.564 1.00 86.13 ? 186 GLY B O 1 ATOM 5646 N N . GLY B 1 189 ? -44.178 42.349 -31.629 1.00 73.26 ? 187 GLY B N 1 ATOM 5647 C CA . GLY B 1 189 ? -43.725 42.245 -33.006 1.00 67.48 ? 187 GLY B CA 1 ATOM 5648 C C . GLY B 1 189 ? -44.849 42.104 -34.020 1.00 68.79 ? 187 GLY B C 1 ATOM 5649 O O . GLY B 1 189 ? -45.956 41.681 -33.687 1.00 68.18 ? 187 GLY B O 1 ATOM 5650 N N . ASN B 1 190 ? -44.556 42.465 -35.267 1.00 73.82 ? 188 ASN B N 1 ATOM 5651 C CA . ASN B 1 190 ? -45.518 42.361 -36.360 1.00 73.11 ? 188 ASN B CA 1 ATOM 5652 C C . ASN B 1 190 ? -45.267 41.125 -37.211 1.00 71.32 ? 188 ASN B C 1 ATOM 5653 O O . ASN B 1 190 ? -44.345 41.102 -38.027 1.00 65.55 ? 188 ASN B O 1 ATOM 5654 C CB . ASN B 1 190 ? -45.463 43.612 -37.238 1.00 73.86 ? 188 ASN B CB 1 ATOM 5655 C CG . ASN B 1 190 ? -46.436 43.555 -38.403 1.00 68.80 ? 188 ASN B CG 1 ATOM 5656 O OD1 . ASN B 1 190 ? -47.361 42.743 -38.422 1.00 66.20 ? 188 ASN B OD1 1 ATOM 5657 N ND2 . ASN B 1 190 ? -46.232 44.428 -39.378 1.00 65.12 ? 188 ASN B ND2 1 ATOM 5658 N N . PRO B 1 191 ? -46.113 40.100 -37.044 1.00 74.48 ? 189 PRO B N 1 ATOM 5659 C CA . PRO B 1 191 ? -45.954 38.816 -37.734 1.00 70.85 ? 189 PRO B CA 1 ATOM 5660 C C . PRO B 1 191 ? -46.030 38.996 -39.242 1.00 69.96 ? 189 PRO B C 1 ATOM 5661 O O . PRO B 1 191 ? -45.552 38.163 -40.012 1.00 68.30 ? 189 PRO B O 1 ATOM 5662 C CB . PRO B 1 191 ? -47.161 38.005 -37.243 1.00 77.07 ? 189 PRO B CB 1 ATOM 5663 C CG . PRO B 1 191 ? -47.622 38.694 -35.991 1.00 78.43 ? 189 PRO B CG 1 ATOM 5664 C CD . PRO B 1 191 ? -47.334 40.140 -36.222 1.00 78.14 ? 189 PRO B CD 1 ATOM 5665 N N . LYS B 1 192 ? -46.631 40.103 -39.653 1.00 75.02 ? 190 LYS B N 1 ATOM 5666 C CA . LYS B 1 192 ? -46.844 40.392 -41.059 1.00 68.72 ? 190 LYS B CA 1 ATOM 5667 C C . LYS B 1 192 ? -45.625 41.078 -41.675 1.00 57.72 ? 190 LYS B C 1 ATOM 5668 O O . LYS B 1 192 ? -45.566 41.265 -42.884 1.00 56.69 ? 190 LYS B O 1 ATOM 5669 C CB . LYS B 1 192 ? -48.106 41.245 -41.217 1.00 74.84 ? 190 LYS B CB 1 ATOM 5670 C CG . LYS B 1 192 ? -49.239 40.799 -40.292 1.00 79.57 ? 190 LYS B CG 1 ATOM 5671 C CD . LYS B 1 192 ? -50.333 41.854 -40.150 1.00 84.49 ? 190 LYS B CD 1 ATOM 5672 C CE . LYS B 1 192 ? -51.050 41.717 -38.812 1.00 82.70 ? 190 LYS B CE 1 ATOM 5673 N NZ . LYS B 1 192 ? -50.116 41.924 -37.663 1.00 71.27 ? 190 LYS B NZ 1 ATOM 5674 N N . SER B 1 193 ? -44.656 41.446 -40.839 1.00 56.07 ? 191 SER B N 1 ATOM 5675 C CA . SER B 1 193 ? -43.400 42.034 -41.317 1.00 58.41 ? 191 SER B CA 1 ATOM 5676 C C . SER B 1 193 ? -42.182 41.301 -40.747 1.00 63.70 ? 191 SER B C 1 ATOM 5677 O O . SER B 1 193 ? -41.556 41.757 -39.788 1.00 65.49 ? 191 SER B O 1 ATOM 5678 C CB . SER B 1 193 ? -43.331 43.516 -40.956 1.00 63.61 ? 191 SER B CB 1 ATOM 5679 O OG . SER B 1 193 ? -42.087 44.077 -41.331 1.00 60.10 ? 191 SER B OG 1 ATOM 5680 N N . VAL B 1 194 ? -41.845 40.167 -41.354 1.00 59.47 ? 192 VAL B N 1 ATOM 5681 C CA . VAL B 1 194 ? -40.775 39.312 -40.859 1.00 54.35 ? 192 VAL B CA 1 ATOM 5682 C C . VAL B 1 194 ? -39.725 39.048 -41.932 1.00 53.72 ? 192 VAL B C 1 ATOM 5683 O O . VAL B 1 194 ? -40.040 38.499 -42.984 1.00 64.93 ? 192 VAL B O 1 ATOM 5684 C CB . VAL B 1 194 ? -41.342 37.953 -40.403 1.00 55.83 ? 192 VAL B CB 1 ATOM 5685 C CG1 . VAL B 1 194 ? -40.216 37.027 -39.950 1.00 48.52 ? 192 VAL B CG1 1 ATOM 5686 C CG2 . VAL B 1 194 ? -42.377 38.151 -39.303 1.00 52.64 ? 192 VAL B CG2 1 ATOM 5687 N N . THR B 1 195 ? -38.480 39.429 -41.666 1.00 43.09 ? 193 THR B N 1 ATOM 5688 C CA . THR B 1 195 ? -37.396 39.225 -42.627 1.00 42.41 ? 193 THR B CA 1 ATOM 5689 C C . THR B 1 195 ? -36.435 38.111 -42.174 1.00 42.60 ? 193 THR B C 1 ATOM 5690 O O . THR B 1 195 ? -35.927 38.142 -41.050 1.00 51.07 ? 193 THR B O 1 ATOM 5691 C CB . THR B 1 195 ? -36.609 40.539 -42.869 1.00 46.54 ? 193 THR B CB 1 ATOM 5692 O OG1 . THR B 1 195 ? -37.394 41.417 -43.679 1.00 61.23 ? 193 THR B OG1 1 ATOM 5693 C CG2 . THR B 1 195 ? -35.279 40.273 -43.583 1.00 37.74 ? 193 THR B CG2 1 ATOM 5694 N N . LEU B 1 196 ? -36.188 37.131 -43.041 1.00 41.31 ? 194 LEU B N 1 ATOM 5695 C CA . LEU B 1 196 ? -35.209 36.074 -42.733 1.00 44.82 ? 194 LEU B CA 1 ATOM 5696 C C . LEU B 1 196 ? -33.821 36.499 -43.160 1.00 42.09 ? 194 LEU B C 1 ATOM 5697 O O . LEU B 1 196 ? -33.640 36.969 -44.275 1.00 50.69 ? 194 LEU B O 1 ATOM 5698 C CB . LEU B 1 196 ? -35.544 34.753 -43.437 1.00 39.88 ? 194 LEU B CB 1 ATOM 5699 C CG . LEU B 1 196 ? -36.910 34.091 -43.223 1.00 44.78 ? 194 LEU B CG 1 ATOM 5700 C CD1 . LEU B 1 196 ? -36.946 32.737 -43.897 1.00 45.64 ? 194 LEU B CD1 1 ATOM 5701 C CD2 . LEU B 1 196 ? -37.285 33.963 -41.742 1.00 41.78 ? 194 LEU B CD2 1 ATOM 5702 N N . PHE B 1 197 ? -32.843 36.349 -42.272 1.00 36.97 ? 195 PHE B N 1 ATOM 5703 C CA . PHE B 1 197 ? -31.442 36.473 -42.673 1.00 34.52 ? 195 PHE B CA 1 ATOM 5704 C C . PHE B 1 197 ? -30.517 35.389 -42.115 1.00 40.08 ? 195 PHE B C 1 ATOM 5705 O O . PHE B 1 197 ? -30.716 34.880 -41.010 1.00 42.44 ? 195 PHE B O 1 ATOM 5706 C CB . PHE B 1 197 ? -30.879 37.889 -42.426 1.00 46.13 ? 195 PHE B CB 1 ATOM 5707 C CG . PHE B 1 197 ? -30.637 38.261 -40.967 1.00 41.87 ? 195 PHE B CG 1 ATOM 5708 C CD1 . PHE B 1 197 ? -31.562 37.974 -39.972 1.00 40.06 ? 195 PHE B CD1 1 ATOM 5709 C CD2 . PHE B 1 197 ? -29.483 38.960 -40.615 1.00 39.72 ? 195 PHE B CD2 1 ATOM 5710 C CE1 . PHE B 1 197 ? -31.332 38.355 -38.649 1.00 39.68 ? 195 PHE B CE1 1 ATOM 5711 C CE2 . PHE B 1 197 ? -29.248 39.350 -39.299 1.00 40.54 ? 195 PHE B CE2 1 ATOM 5712 C CZ . PHE B 1 197 ? -30.171 39.047 -38.312 1.00 35.23 ? 195 PHE B CZ 1 ATOM 5713 N N . GLY B 1 198 ? -29.505 35.041 -42.899 1.00 37.17 ? 196 GLY B N 1 ATOM 5714 C CA . GLY B 1 198 ? -28.487 34.108 -42.468 1.00 21.64 ? 196 GLY B CA 1 ATOM 5715 C C . GLY B 1 198 ? -27.268 34.121 -43.361 1.00 32.33 ? 196 GLY B C 1 ATOM 5716 O O . GLY B 1 198 ? -27.250 34.772 -44.409 1.00 38.48 ? 196 GLY B O 1 ATOM 5717 N N . GLU B 1 199 ? -26.247 33.382 -42.941 1.00 37.33 ? 197 GLU B N 1 ATOM 5718 C CA . GLU B 1 199 ? -24.948 33.388 -43.599 1.00 36.35 ? 197 GLU B CA 1 ATOM 5719 C C . GLU B 1 199 ? -24.491 31.945 -43.841 1.00 41.53 ? 197 GLU B C 1 ATOM 5720 O O . GLU B 1 199 ? -24.758 31.069 -43.018 1.00 33.53 ? 197 GLU B O 1 ATOM 5721 C CB . GLU B 1 199 ? -23.931 34.176 -42.753 1.00 32.86 ? 197 GLU B CB 1 ATOM 5722 C CG . GLU B 1 199 ? -22.539 34.366 -43.370 1.00 31.49 ? 197 GLU B CG 1 ATOM 5723 C CD . GLU B 1 199 ? -21.602 33.206 -43.081 1.00 39.02 ? 197 GLU B CD 1 ATOM 5724 O OE1 . GLU B 1 199 ? -21.928 32.369 -42.212 1.00 40.69 ? 197 GLU B OE1 1 ATOM 5725 O OE2 . GLU B 1 199 ? -20.536 33.131 -43.725 1.00 43.36 ? 197 GLU B OE2 1 ATOM 5726 N N . SER B 1 200 ? -23.820 31.718 -44.977 1.00 38.87 ? 198 SER B N 1 ATOM 5727 C CA . SER B 1 200 ? -23.341 30.399 -45.397 1.00 36.33 ? 198 SER B CA 1 ATOM 5728 C C . SER B 1 200 ? -24.476 29.374 -45.539 1.00 32.32 ? 198 SER B C 1 ATOM 5729 O O . SER B 1 200 ? -25.367 29.542 -46.369 1.00 37.47 ? 198 SER B O 1 ATOM 5730 C CB . SER B 1 200 ? -22.255 29.891 -44.454 1.00 45.70 ? 198 SER B CB 1 ATOM 5731 O OG . SER B 1 200 ? -21.228 29.267 -45.196 1.00 55.80 ? 198 SER B OG 1 ATOM 5732 N N . ALA B 1 201 ? -24.477 28.334 -44.716 1.00 23.77 ? 199 ALA B N 1 ATOM 5733 C CA . ALA B 1 201 ? -25.570 27.373 -44.781 1.00 22.89 ? 199 ALA B CA 1 ATOM 5734 C C . ALA B 1 201 ? -26.856 28.041 -44.298 1.00 28.86 ? 199 ALA B C 1 ATOM 5735 O O . ALA B 1 201 ? -27.959 27.614 -44.645 1.00 32.22 ? 199 ALA B O 1 ATOM 5736 C CB . ALA B 1 201 ? -25.257 26.101 -43.981 1.00 27.40 ? 199 ALA B CB 1 ATOM 5737 N N . GLY B 1 202 ? -26.696 29.107 -43.515 1.00 24.07 ? 200 GLY B N 1 ATOM 5738 C CA . GLY B 1 202 ? -27.810 29.948 -43.109 1.00 31.52 ? 200 GLY B CA 1 ATOM 5739 C C . GLY B 1 202 ? -28.450 30.637 -44.298 1.00 37.59 ? 200 GLY B C 1 ATOM 5740 O O . GLY B 1 202 ? -29.674 30.603 -44.450 1.00 40.48 ? 200 GLY B O 1 ATOM 5741 N N . ALA B 1 203 ? -27.627 31.230 -45.164 1.00 35.99 ? 201 ALA B N 1 ATOM 5742 C CA . ALA B 1 203 ? -28.147 31.838 -46.391 1.00 35.97 ? 201 ALA B CA 1 ATOM 5743 C C . ALA B 1 203 ? -28.780 30.800 -47.329 1.00 28.28 ? 201 ALA B C 1 ATOM 5744 O O . ALA B 1 203 ? -29.838 31.035 -47.896 1.00 36.24 ? 201 ALA B O 1 ATOM 5745 C CB . ALA B 1 203 ? -27.061 32.657 -47.113 1.00 26.90 ? 201 ALA B CB 1 ATOM 5746 N N . ALA B 1 204 ? -28.149 29.640 -47.465 1.00 30.98 ? 202 ALA B N 1 ATOM 5747 C CA . ALA B 1 204 ? -28.706 28.584 -48.309 1.00 31.47 ? 202 ALA B CA 1 ATOM 5748 C C . ALA B 1 204 ? -30.020 28.115 -47.717 1.00 34.27 ? 202 ALA B C 1 ATOM 5749 O O . ALA B 1 204 ? -30.956 27.774 -48.440 1.00 44.12 ? 202 ALA B O 1 ATOM 5750 C CB . ALA B 1 204 ? -27.724 27.408 -48.459 1.00 26.69 ? 202 ALA B CB 1 ATOM 5751 N N . SER B 1 205 ? -30.091 28.110 -46.394 1.00 31.26 ? 203 SER B N 1 ATOM 5752 C CA . SER B 1 205 ? -31.344 27.799 -45.721 1.00 37.18 ? 203 SER B CA 1 ATOM 5753 C C . SER B 1 205 ? -32.426 28.821 -46.065 1.00 41.88 ? 203 SER B C 1 ATOM 5754 O O . SER B 1 205 ? -33.534 28.443 -46.449 1.00 38.58 ? 203 SER B O 1 ATOM 5755 C CB . SER B 1 205 ? -31.153 27.707 -44.203 1.00 36.70 ? 203 SER B CB 1 ATOM 5756 O OG . SER B 1 205 ? -30.505 26.502 -43.861 1.00 30.10 ? 203 SER B OG 1 ATOM 5757 N N . VAL B 1 206 ? -32.103 30.107 -45.930 1.00 42.29 ? 204 VAL B N 1 ATOM 5758 C CA . VAL B 1 206 ? -33.064 31.156 -46.256 1.00 39.23 ? 204 VAL B CA 1 ATOM 5759 C C . VAL B 1 206 ? -33.575 30.987 -47.684 1.00 37.59 ? 204 VAL B C 1 ATOM 5760 O O . VAL B 1 206 ? -34.781 31.010 -47.922 1.00 40.72 ? 204 VAL B O 1 ATOM 5761 C CB . VAL B 1 206 ? -32.469 32.561 -46.080 1.00 35.40 ? 204 VAL B CB 1 ATOM 5762 C CG1 . VAL B 1 206 ? -33.352 33.595 -46.762 1.00 38.41 ? 204 VAL B CG1 1 ATOM 5763 C CG2 . VAL B 1 206 ? -32.286 32.896 -44.599 1.00 28.69 ? 204 VAL B CG2 1 ATOM 5764 N N . SER B 1 207 ? -32.656 30.782 -48.622 1.00 37.50 ? 205 SER B N 1 ATOM 5765 C CA . SER B 1 207 ? -33.031 30.603 -50.027 1.00 41.26 ? 205 SER B CA 1 ATOM 5766 C C . SER B 1 207 ? -33.941 29.399 -50.230 1.00 39.21 ? 205 SER B C 1 ATOM 5767 O O . SER B 1 207 ? -34.827 29.436 -51.074 1.00 47.96 ? 205 SER B O 1 ATOM 5768 C CB . SER B 1 207 ? -31.804 30.506 -50.942 1.00 34.07 ? 205 SER B CB 1 ATOM 5769 O OG . SER B 1 207 ? -31.077 29.317 -50.691 1.00 36.11 ? 205 SER B OG 1 ATOM 5770 N N . LEU B 1 208 ? -33.740 28.335 -49.458 1.00 36.85 ? 206 LEU B N 1 ATOM 5771 C CA . LEU B 1 208 ? -34.642 27.190 -49.548 1.00 33.11 ? 206 LEU B CA 1 ATOM 5772 C C . LEU B 1 208 ? -36.020 27.519 -48.954 1.00 40.62 ? 206 LEU B C 1 ATOM 5773 O O . LEU B 1 208 ? -37.022 26.930 -49.345 1.00 45.25 ? 206 LEU B O 1 ATOM 5774 C CB . LEU B 1 208 ? -34.045 25.952 -48.889 1.00 33.40 ? 206 LEU B CB 1 ATOM 5775 C CG . LEU B 1 208 ? -32.875 25.300 -49.623 1.00 38.60 ? 206 LEU B CG 1 ATOM 5776 C CD1 . LEU B 1 208 ? -32.170 24.306 -48.735 1.00 31.59 ? 206 LEU B CD1 1 ATOM 5777 C CD2 . LEU B 1 208 ? -33.358 24.628 -50.889 1.00 38.61 ? 206 LEU B CD2 1 ATOM 5778 N N . HIS B 1 209 ? -36.071 28.472 -48.028 1.00 35.52 ? 207 HIS B N 1 ATOM 5779 C CA . HIS B 1 209 ? -37.349 28.906 -47.482 1.00 39.43 ? 207 HIS B CA 1 ATOM 5780 C C . HIS B 1 209 ? -38.139 29.728 -48.494 1.00 55.14 ? 207 HIS B C 1 ATOM 5781 O O . HIS B 1 209 ? -39.358 29.853 -48.379 1.00 62.45 ? 207 HIS B O 1 ATOM 5782 C CB . HIS B 1 209 ? -37.181 29.678 -46.172 1.00 35.74 ? 207 HIS B CB 1 ATOM 5783 C CG . HIS B 1 209 ? -36.998 28.799 -44.971 1.00 40.19 ? 207 HIS B CG 1 ATOM 5784 N ND1 . HIS B 1 209 ? -37.990 27.964 -44.502 1.00 41.70 ? 207 HIS B ND1 1 ATOM 5785 C CD2 . HIS B 1 209 ? -35.935 28.619 -44.150 1.00 30.88 ? 207 HIS B CD2 1 ATOM 5786 C CE1 . HIS B 1 209 ? -37.549 27.312 -43.442 1.00 41.37 ? 207 HIS B CE1 1 ATOM 5787 N NE2 . HIS B 1 209 ? -36.307 27.695 -43.204 1.00 37.69 ? 207 HIS B NE2 1 ATOM 5788 N N . LEU B 1 210 ? -37.448 30.278 -49.488 1.00 51.65 ? 208 LEU B N 1 ATOM 5789 C CA . LEU B 1 210 ? -38.127 30.968 -50.577 1.00 51.59 ? 208 LEU B CA 1 ATOM 5790 C C . LEU B 1 210 ? -38.838 29.954 -51.463 1.00 60.58 ? 208 LEU B C 1 ATOM 5791 O O . LEU B 1 210 ? -39.782 30.298 -52.173 1.00 69.84 ? 208 LEU B O 1 ATOM 5792 C CB . LEU B 1 210 ? -37.140 31.799 -51.407 1.00 45.31 ? 208 LEU B CB 1 ATOM 5793 C CG . LEU B 1 210 ? -36.467 32.986 -50.699 1.00 43.58 ? 208 LEU B CG 1 ATOM 5794 C CD1 . LEU B 1 210 ? -35.157 33.335 -51.358 1.00 36.94 ? 208 LEU B CD1 1 ATOM 5795 C CD2 . LEU B 1 210 ? -37.384 34.209 -50.665 1.00 45.82 ? 208 LEU B CD2 1 ATOM 5796 N N . LEU B 1 211 ? -38.381 28.703 -51.406 1.00 52.27 ? 209 LEU B N 1 ATOM 5797 C CA . LEU B 1 211 ? -38.896 27.634 -52.259 1.00 47.56 ? 209 LEU B CA 1 ATOM 5798 C C . LEU B 1 211 ? -39.976 26.769 -51.605 1.00 53.84 ? 209 LEU B C 1 ATOM 5799 O O . LEU B 1 211 ? -40.814 26.198 -52.297 1.00 65.89 ? 209 LEU B O 1 ATOM 5800 C CB . LEU B 1 211 ? -37.754 26.711 -52.689 1.00 49.70 ? 209 LEU B CB 1 ATOM 5801 C CG . LEU B 1 211 ? -36.556 27.248 -53.466 1.00 46.42 ? 209 LEU B CG 1 ATOM 5802 C CD1 . LEU B 1 211 ? -35.677 26.077 -53.876 1.00 42.27 ? 209 LEU B CD1 1 ATOM 5803 C CD2 . LEU B 1 211 ? -37.006 28.020 -54.684 1.00 46.88 ? 209 LEU B CD2 1 ATOM 5804 N N . SER B 1 212 ? -39.948 26.646 -50.283 1.00 55.37 ? 210 SER B N 1 ATOM 5805 C CA . SER B 1 212 ? -40.836 25.704 -49.604 1.00 62.32 ? 210 SER B CA 1 ATOM 5806 C C . SER B 1 212 ? -42.218 26.297 -49.333 1.00 59.44 ? 210 SER B C 1 ATOM 5807 O O . SER B 1 212 ? -42.337 27.295 -48.633 1.00 67.44 ? 210 SER B O 1 ATOM 5808 C CB . SER B 1 212 ? -40.204 25.212 -48.299 1.00 66.14 ? 210 SER B CB 1 ATOM 5809 O OG . SER B 1 212 ? -41.099 24.378 -47.584 1.00 73.12 ? 210 SER B OG 1 ATOM 5810 N N . PRO B 1 213 ? -43.268 25.661 -49.869 1.00 57.15 ? 211 PRO B N 1 ATOM 5811 C CA . PRO B 1 213 ? -44.654 26.141 -49.755 1.00 60.93 ? 211 PRO B CA 1 ATOM 5812 C C . PRO B 1 213 ? -45.101 26.237 -48.298 1.00 65.55 ? 211 PRO B C 1 ATOM 5813 O O . PRO B 1 213 ? -45.894 27.113 -47.945 1.00 69.80 ? 211 PRO B O 1 ATOM 5814 C CB . PRO B 1 213 ? -45.470 25.054 -50.471 1.00 59.87 ? 211 PRO B CB 1 ATOM 5815 C CG . PRO B 1 213 ? -44.475 24.217 -51.215 1.00 63.35 ? 211 PRO B CG 1 ATOM 5816 C CD . PRO B 1 213 ? -43.196 24.314 -50.457 1.00 60.88 ? 211 PRO B CD 1 ATOM 5817 N N . GLY B 1 214 ? -44.594 25.331 -47.465 1.00 55.77 ? 212 GLY B N 1 ATOM 5818 C CA . GLY B 1 214 ? -44.839 25.386 -46.039 1.00 52.35 ? 212 GLY B CA 1 ATOM 5819 C C . GLY B 1 214 ? -44.235 26.609 -45.367 1.00 52.58 ? 212 GLY B C 1 ATOM 5820 O O . GLY B 1 214 ? -44.642 26.975 -44.270 1.00 58.03 ? 212 GLY B O 1 ATOM 5821 N N . SER B 1 215 ? -43.262 27.241 -46.015 1.00 48.55 ? 213 SER B N 1 ATOM 5822 C CA . SER B 1 215 ? -42.632 28.432 -45.451 1.00 54.23 ? 213 SER B CA 1 ATOM 5823 C C . SER B 1 215 ? -43.187 29.714 -46.083 1.00 60.29 ? 213 SER B C 1 ATOM 5824 O O . SER B 1 215 ? -42.842 30.819 -45.667 1.00 65.12 ? 213 SER B O 1 ATOM 5825 C CB . SER B 1 215 ? -41.106 28.390 -45.639 1.00 54.82 ? 213 SER B CB 1 ATOM 5826 O OG . SER B 1 215 ? -40.499 27.270 -45.008 1.00 53.65 ? 213 SER B OG 1 ATOM 5827 N N . HIS B 1 216 ? -44.037 29.563 -47.092 1.00 56.23 ? 214 HIS B N 1 ATOM 5828 C CA . HIS B 1 216 ? -44.533 30.706 -47.857 1.00 67.48 ? 214 HIS B CA 1 ATOM 5829 C C . HIS B 1 216 ? -45.202 31.784 -47.004 1.00 66.55 ? 214 HIS B C 1 ATOM 5830 O O . HIS B 1 216 ? -44.918 32.970 -47.151 1.00 64.38 ? 214 HIS B O 1 ATOM 5831 C CB . HIS B 1 216 ? -45.498 30.235 -48.941 1.00 77.73 ? 214 HIS B CB 1 ATOM 5832 C CG . HIS B 1 216 ? -46.124 31.352 -49.715 1.00 86.82 ? 214 HIS B CG 1 ATOM 5833 N ND1 . HIS B 1 216 ? -45.464 32.017 -50.726 1.00 85.78 ? 214 HIS B ND1 1 ATOM 5834 C CD2 . HIS B 1 216 ? -47.347 31.925 -49.622 1.00 91.03 ? 214 HIS B CD2 1 ATOM 5835 C CE1 . HIS B 1 216 ? -46.254 32.950 -51.224 1.00 88.30 ? 214 HIS B CE1 1 ATOM 5836 N NE2 . HIS B 1 216 ? -47.402 32.916 -50.571 1.00 94.59 ? 214 HIS B NE2 1 ATOM 5837 N N . SER B 1 217 ? -46.083 31.361 -46.109 1.00 67.34 ? 215 SER B N 1 ATOM 5838 C CA . SER B 1 217 ? -46.826 32.289 -45.264 1.00 73.98 ? 215 SER B CA 1 ATOM 5839 C C . SER B 1 217 ? -46.098 32.679 -43.969 1.00 68.93 ? 215 SER B C 1 ATOM 5840 O O . SER B 1 217 ? -46.689 33.309 -43.096 1.00 65.23 ? 215 SER B O 1 ATOM 5841 C CB . SER B 1 217 ? -48.177 31.670 -44.905 1.00 83.02 ? 215 SER B CB 1 ATOM 5842 O OG . SER B 1 217 ? -47.992 30.410 -44.271 1.00 88.58 ? 215 SER B OG 1 ATOM 5843 N N . LEU B 1 218 ? -44.827 32.310 -43.839 1.00 67.78 ? 216 LEU B N 1 ATOM 5844 C CA . LEU B 1 218 ? -44.145 32.420 -42.546 1.00 63.72 ? 216 LEU B CA 1 ATOM 5845 C C . LEU B 1 218 ? -43.136 33.567 -42.437 1.00 60.61 ? 216 LEU B C 1 ATOM 5846 O O . LEU B 1 218 ? -42.539 33.768 -41.382 1.00 67.77 ? 216 LEU B O 1 ATOM 5847 C CB . LEU B 1 218 ? -43.476 31.090 -42.162 1.00 56.35 ? 216 LEU B CB 1 ATOM 5848 C CG . LEU B 1 218 ? -44.357 29.834 -42.175 1.00 49.36 ? 216 LEU B CG 1 ATOM 5849 C CD1 . LEU B 1 218 ? -43.557 28.615 -41.726 1.00 57.26 ? 216 LEU B CD1 1 ATOM 5850 C CD2 . LEU B 1 218 ? -45.600 30.010 -41.315 1.00 52.06 ? 216 LEU B CD2 1 ATOM 5851 N N . PHE B 1 219 ? -42.947 34.314 -43.516 1.00 55.00 ? 217 PHE B N 1 ATOM 5852 C CA . PHE B 1 219 ? -42.061 35.471 -43.486 1.00 55.67 ? 217 PHE B CA 1 ATOM 5853 C C . PHE B 1 219 ? -42.339 36.426 -44.649 1.00 60.26 ? 217 PHE B C 1 ATOM 5854 O O . PHE B 1 219 ? -43.234 36.181 -45.450 1.00 60.48 ? 217 PHE B O 1 ATOM 5855 C CB . PHE B 1 219 ? -40.597 35.032 -43.482 1.00 51.65 ? 217 PHE B CB 1 ATOM 5856 C CG . PHE B 1 219 ? -40.136 34.424 -44.775 1.00 46.43 ? 217 PHE B CG 1 ATOM 5857 C CD1 . PHE B 1 219 ? -40.492 33.138 -45.117 1.00 48.02 ? 217 PHE B CD1 1 ATOM 5858 C CD2 . PHE B 1 219 ? -39.325 35.136 -45.639 1.00 49.14 ? 217 PHE B CD2 1 ATOM 5859 C CE1 . PHE B 1 219 ? -40.055 32.569 -46.306 1.00 49.14 ? 217 PHE B CE1 1 ATOM 5860 C CE2 . PHE B 1 219 ? -38.881 34.569 -46.826 1.00 52.00 ? 217 PHE B CE2 1 ATOM 5861 C CZ . PHE B 1 219 ? -39.250 33.286 -47.159 1.00 44.13 ? 217 PHE B CZ 1 ATOM 5862 N N . THR B 1 220 ? -41.559 37.502 -44.742 1.00 62.80 ? 218 THR B N 1 ATOM 5863 C CA . THR B 1 220 ? -41.837 38.577 -45.692 1.00 63.41 ? 218 THR B CA 1 ATOM 5864 C C . THR B 1 220 ? -40.702 38.822 -46.687 1.00 63.36 ? 218 THR B C 1 ATOM 5865 O O . THR B 1 220 ? -40.912 38.790 -47.897 1.00 65.69 ? 218 THR B O 1 ATOM 5866 C CB . THR B 1 220 ? -42.155 39.897 -44.952 1.00 68.11 ? 218 THR B CB 1 ATOM 5867 O OG1 . THR B 1 220 ? -43.221 39.681 -44.011 1.00 73.15 ? 218 THR B OG1 1 ATOM 5868 C CG2 . THR B 1 220 ? -42.553 40.992 -45.942 1.00 60.73 ? 218 THR B CG2 1 ATOM 5869 N N . ARG B 1 221 ? -39.504 39.075 -46.173 1.00 60.24 ? 219 ARG B N 1 ATOM 5870 C CA . ARG B 1 221 ? -38.347 39.333 -47.024 1.00 55.83 ? 219 ARG B CA 1 ATOM 5871 C C . ARG B 1 221 ? -37.171 38.465 -46.610 1.00 52.28 ? 219 ARG B C 1 ATOM 5872 O O . ARG B 1 221 ? -37.231 37.783 -45.589 1.00 59.19 ? 219 ARG B O 1 ATOM 5873 C CB . ARG B 1 221 ? -37.955 40.814 -46.982 1.00 53.30 ? 219 ARG B CB 1 ATOM 5874 C CG . ARG B 1 221 ? -38.607 41.632 -48.069 1.00 62.24 ? 219 ARG B CG 1 ATOM 5875 C CD . ARG B 1 221 ? -38.255 43.108 -47.952 1.00 67.96 ? 219 ARG B CD 1 ATOM 5876 N NE . ARG B 1 221 ? -38.911 43.739 -46.811 1.00 69.03 ? 219 ARG B NE 1 ATOM 5877 C CZ . ARG B 1 221 ? -40.161 44.190 -46.826 1.00 65.54 ? 219 ARG B CZ 1 ATOM 5878 N NH1 . ARG B 1 221 ? -40.889 44.083 -47.925 1.00 69.47 ? 219 ARG B NH1 1 ATOM 5879 N NH2 . ARG B 1 221 ? -40.681 44.747 -45.743 1.00 62.50 ? 219 ARG B NH2 1 ATOM 5880 N N . ALA B 1 222 ? -36.099 38.496 -47.400 1.00 47.83 ? 220 ALA B N 1 ATOM 5881 C CA . ALA B 1 222 ? -34.973 37.595 -47.182 1.00 37.66 ? 220 ALA B CA 1 ATOM 5882 C C . ALA B 1 222 ? -33.626 38.240 -47.458 1.00 33.56 ? 220 ALA B C 1 ATOM 5883 O O . ALA B 1 222 ? -33.450 38.938 -48.442 1.00 45.67 ? 220 ALA B O 1 ATOM 5884 C CB . ALA B 1 222 ? -35.136 36.350 -48.025 1.00 44.90 ? 220 ALA B CB 1 ATOM 5885 N N . ILE B 1 223 ? -32.677 37.975 -46.575 1.00 39.03 ? 221 ILE B N 1 ATOM 5886 C CA . ILE B 1 223 ? -31.320 38.478 -46.688 1.00 44.36 ? 221 ILE B CA 1 ATOM 5887 C C . ILE B 1 223 ? -30.329 37.310 -46.701 1.00 48.71 ? 221 ILE B C 1 ATOM 5888 O O . ILE B 1 223 ? -30.266 36.518 -45.760 1.00 42.65 ? 221 ILE B O 1 ATOM 5889 C CB . ILE B 1 223 ? -30.989 39.395 -45.508 1.00 37.78 ? 221 ILE B CB 1 ATOM 5890 C CG1 . ILE B 1 223 ? -31.804 40.689 -45.602 1.00 40.96 ? 221 ILE B CG1 1 ATOM 5891 C CG2 . ILE B 1 223 ? -29.483 39.666 -45.453 1.00 32.51 ? 221 ILE B CG2 1 ATOM 5892 C CD1 . ILE B 1 223 ? -31.650 41.608 -44.396 1.00 43.42 ? 221 ILE B CD1 1 ATOM 5893 N N . LEU B 1 224 ? -29.546 37.218 -47.766 1.00 48.30 ? 222 LEU B N 1 ATOM 5894 C CA . LEU B 1 224 ? -28.681 36.069 -47.973 1.00 42.40 ? 222 LEU B CA 1 ATOM 5895 C C . LEU B 1 224 ? -27.214 36.462 -47.985 1.00 38.78 ? 222 LEU B C 1 ATOM 5896 O O . LEU B 1 224 ? -26.725 36.991 -48.974 1.00 47.89 ? 222 LEU B O 1 ATOM 5897 C CB . LEU B 1 224 ? -29.031 35.386 -49.295 1.00 43.60 ? 222 LEU B CB 1 ATOM 5898 C CG . LEU B 1 224 ? -30.395 34.715 -49.464 1.00 49.79 ? 222 LEU B CG 1 ATOM 5899 C CD1 . LEU B 1 224 ? -31.536 35.725 -49.632 1.00 58.41 ? 222 LEU B CD1 1 ATOM 5900 C CD2 . LEU B 1 224 ? -30.336 33.793 -50.666 1.00 45.83 ? 222 LEU B CD2 1 ATOM 5901 N N . GLN B 1 225 ? -26.510 36.177 -46.895 1.00 40.43 ? 223 GLN B N 1 ATOM 5902 C CA . GLN B 1 225 ? -25.085 36.508 -46.770 1.00 40.31 ? 223 GLN B CA 1 ATOM 5903 C C . GLN B 1 225 ? -24.165 35.315 -47.089 1.00 45.66 ? 223 GLN B C 1 ATOM 5904 O O . GLN B 1 225 ? -24.133 34.333 -46.352 1.00 47.76 ? 223 GLN B O 1 ATOM 5905 C CB . GLN B 1 225 ? -24.792 37.043 -45.351 1.00 33.61 ? 223 GLN B CB 1 ATOM 5906 C CG . GLN B 1 225 ? -25.618 38.297 -44.990 1.00 42.06 ? 223 GLN B CG 1 ATOM 5907 C CD . GLN B 1 225 ? -25.635 38.635 -43.502 1.00 40.08 ? 223 GLN B CD 1 ATOM 5908 O OE1 . GLN B 1 225 ? -26.592 39.233 -43.010 1.00 41.19 ? 223 GLN B OE1 1 ATOM 5909 N NE2 . GLN B 1 225 ? -24.575 38.258 -42.783 1.00 36.50 ? 223 GLN B NE2 1 ATOM 5910 N N . SER B 1 226 ? -23.424 35.408 -48.188 1.00 39.34 ? 224 SER B N 1 ATOM 5911 C CA . SER B 1 226 ? -22.419 34.401 -48.549 1.00 37.41 ? 224 SER B CA 1 ATOM 5912 C C . SER B 1 226 ? -22.971 32.978 -48.681 1.00 37.86 ? 224 SER B C 1 ATOM 5913 O O . SER B 1 226 ? -22.392 32.039 -48.141 1.00 38.66 ? 224 SER B O 1 ATOM 5914 C CB . SER B 1 226 ? -21.277 34.391 -47.531 1.00 33.47 ? 224 SER B CB 1 ATOM 5915 O OG . SER B 1 226 ? -20.658 35.652 -47.411 1.00 35.95 ? 224 SER B OG 1 ATOM 5916 N N . GLY B 1 227 ? -24.083 32.815 -49.390 1.00 37.87 ? 225 GLY B N 1 ATOM 5917 C CA . GLY B 1 227 ? -24.703 31.505 -49.506 1.00 37.33 ? 225 GLY B CA 1 ATOM 5918 C C . GLY B 1 227 ? -26.012 31.471 -50.280 1.00 41.49 ? 225 GLY B C 1 ATOM 5919 O O . GLY B 1 227 ? -26.796 32.418 -50.257 1.00 44.20 ? 225 GLY B O 1 ATOM 5920 N N . SER B 1 228 ? -26.241 30.363 -50.972 1.00 31.50 ? 226 SER B N 1 ATOM 5921 C CA . SER B 1 228 ? -27.507 30.101 -51.625 1.00 39.41 ? 226 SER B CA 1 ATOM 5922 C C . SER B 1 228 ? -27.612 28.615 -51.977 1.00 38.17 ? 226 SER B C 1 ATOM 5923 O O . SER B 1 228 ? -26.604 27.915 -52.084 1.00 32.28 ? 226 SER B O 1 ATOM 5924 C CB . SER B 1 228 ? -27.654 30.961 -52.888 1.00 37.72 ? 226 SER B CB 1 ATOM 5925 O OG . SER B 1 228 ? -26.499 30.859 -53.698 1.00 35.72 ? 226 SER B OG 1 ATOM 5926 N N . PHE B 1 229 ? -28.835 28.153 -52.195 1.00 39.80 ? 227 PHE B N 1 ATOM 5927 C CA . PHE B 1 229 ? -29.079 26.740 -52.433 1.00 43.66 ? 227 PHE B CA 1 ATOM 5928 C C . PHE B 1 229 ? -28.406 26.205 -53.698 1.00 47.85 ? 227 PHE B C 1 ATOM 5929 O O . PHE B 1 229 ? -28.218 24.998 -53.830 1.00 52.53 ? 227 PHE B O 1 ATOM 5930 C CB . PHE B 1 229 ? -30.587 26.429 -52.423 1.00 46.27 ? 227 PHE B CB 1 ATOM 5931 C CG . PHE B 1 229 ? -31.356 27.012 -53.592 1.00 55.13 ? 227 PHE B CG 1 ATOM 5932 C CD1 . PHE B 1 229 ? -31.200 26.511 -54.877 1.00 55.64 ? 227 PHE B CD1 1 ATOM 5933 C CD2 . PHE B 1 229 ? -32.276 28.025 -53.391 1.00 63.18 ? 227 PHE B CD2 1 ATOM 5934 C CE1 . PHE B 1 229 ? -31.911 27.034 -55.938 1.00 60.48 ? 227 PHE B CE1 1 ATOM 5935 C CE2 . PHE B 1 229 ? -33.001 28.549 -54.455 1.00 62.77 ? 227 PHE B CE2 1 ATOM 5936 C CZ . PHE B 1 229 ? -32.813 28.051 -55.727 1.00 62.85 ? 227 PHE B CZ 1 ATOM 5937 N N . ASN B 1 230 ? -28.060 27.090 -54.633 1.00 37.79 ? 228 ASN B N 1 ATOM 5938 C CA . ASN B 1 230 ? -27.444 26.635 -55.882 1.00 34.93 ? 228 ASN B CA 1 ATOM 5939 C C . ASN B 1 230 ? -25.932 26.524 -55.795 1.00 29.60 ? 228 ASN B C 1 ATOM 5940 O O . ASN B 1 230 ? -25.276 26.174 -56.770 1.00 37.00 ? 228 ASN B O 1 ATOM 5941 C CB . ASN B 1 230 ? -27.834 27.519 -57.070 1.00 31.05 ? 228 ASN B CB 1 ATOM 5942 C CG . ASN B 1 230 ? -27.356 28.941 -56.914 1.00 44.83 ? 228 ASN B CG 1 ATOM 5943 O OD1 . ASN B 1 230 ? -27.438 29.524 -55.831 1.00 47.17 ? 228 ASN B OD1 1 ATOM 5944 N ND2 . ASN B 1 230 ? -26.845 29.511 -57.997 1.00 53.21 ? 228 ASN B ND2 1 ATOM 5945 N N . ALA B 1 231 ? -25.379 26.865 -54.640 1.00 30.89 ? 229 ALA B N 1 ATOM 5946 C CA . ALA B 1 231 ? -23.968 26.637 -54.394 1.00 36.94 ? 229 ALA B CA 1 ATOM 5947 C C . ALA B 1 231 ? -23.726 25.129 -54.491 1.00 39.99 ? 229 ALA B C 1 ATOM 5948 O O . ALA B 1 231 ? -24.613 24.336 -54.176 1.00 42.98 ? 229 ALA B O 1 ATOM 5949 C CB . ALA B 1 231 ? -23.585 27.174 -53.027 1.00 32.48 ? 229 ALA B CB 1 ATOM 5950 N N . PRO B 1 232 ? -22.533 24.725 -54.939 1.00 35.46 ? 230 PRO B N 1 ATOM 5951 C CA . PRO B 1 232 ? -22.289 23.290 -55.161 1.00 39.08 ? 230 PRO B CA 1 ATOM 5952 C C . PRO B 1 232 ? -22.308 22.422 -53.883 1.00 43.58 ? 230 PRO B C 1 ATOM 5953 O O . PRO B 1 232 ? -22.479 21.220 -53.996 1.00 43.82 ? 230 PRO B O 1 ATOM 5954 C CB . PRO B 1 232 ? -20.912 23.259 -55.842 1.00 29.92 ? 230 PRO B CB 1 ATOM 5955 C CG . PRO B 1 232 ? -20.257 24.553 -55.476 1.00 31.25 ? 230 PRO B CG 1 ATOM 5956 C CD . PRO B 1 232 ? -21.369 25.561 -55.281 1.00 29.65 ? 230 PRO B CD 1 ATOM 5957 N N . TRP B 1 233 ? -22.165 23.016 -52.703 1.00 36.50 ? 231 TRP B N 1 ATOM 5958 C CA . TRP B 1 233 ? -22.217 22.262 -51.447 1.00 27.64 ? 231 TRP B CA 1 ATOM 5959 C C . TRP B 1 233 ? -23.616 22.195 -50.798 1.00 34.85 ? 231 TRP B C 1 ATOM 5960 O O . TRP B 1 233 ? -23.806 21.502 -49.801 1.00 44.68 ? 231 TRP B O 1 ATOM 5961 C CB . TRP B 1 233 ? -21.221 22.860 -50.436 1.00 28.63 ? 231 TRP B CB 1 ATOM 5962 C CG . TRP B 1 233 ? -21.339 24.370 -50.349 1.00 37.37 ? 231 TRP B CG 1 ATOM 5963 C CD1 . TRP B 1 233 ? -20.626 25.287 -51.065 1.00 31.80 ? 231 TRP B CD1 1 ATOM 5964 C CD2 . TRP B 1 233 ? -22.274 25.122 -49.560 1.00 39.24 ? 231 TRP B CD2 1 ATOM 5965 N NE1 . TRP B 1 233 ? -21.046 26.558 -50.761 1.00 28.34 ? 231 TRP B NE1 1 ATOM 5966 C CE2 . TRP B 1 233 ? -22.051 26.489 -49.835 1.00 36.32 ? 231 TRP B CE2 1 ATOM 5967 C CE3 . TRP B 1 233 ? -23.271 24.776 -48.642 1.00 40.16 ? 231 TRP B CE3 1 ATOM 5968 C CZ2 . TRP B 1 233 ? -22.782 27.511 -49.217 1.00 33.14 ? 231 TRP B CZ2 1 ATOM 5969 C CZ3 . TRP B 1 233 ? -24.000 25.799 -48.023 1.00 40.72 ? 231 TRP B CZ3 1 ATOM 5970 C CH2 . TRP B 1 233 ? -23.753 27.144 -48.315 1.00 27.30 ? 231 TRP B CH2 1 ATOM 5971 N N . ALA B 1 234 ? -24.595 22.907 -51.336 1.00 35.04 ? 232 ALA B N 1 ATOM 5972 C CA . ALA B 1 234 ? -25.832 23.141 -50.575 1.00 33.05 ? 232 ALA B CA 1 ATOM 5973 C C . ALA B 1 234 ? -26.789 21.963 -50.535 1.00 37.98 ? 232 ALA B C 1 ATOM 5974 O O . ALA B 1 234 ? -27.311 21.621 -49.479 1.00 52.96 ? 232 ALA B O 1 ATOM 5975 C CB . ALA B 1 234 ? -26.555 24.376 -51.081 1.00 30.64 ? 232 ALA B CB 1 ATOM 5976 N N . VAL B 1 235 ? -27.025 21.354 -51.689 1.00 41.02 ? 233 VAL B N 1 ATOM 5977 C CA . VAL B 1 235 ? -28.041 20.318 -51.822 1.00 42.61 ? 233 VAL B CA 1 ATOM 5978 C C . VAL B 1 235 ? -27.446 18.997 -52.299 1.00 45.00 ? 233 VAL B C 1 ATOM 5979 O O . VAL B 1 235 ? -26.745 18.950 -53.300 1.00 48.22 ? 233 VAL B O 1 ATOM 5980 C CB . VAL B 1 235 ? -29.130 20.738 -52.827 1.00 41.72 ? 233 VAL B CB 1 ATOM 5981 C CG1 . VAL B 1 235 ? -30.134 19.593 -53.059 1.00 39.70 ? 233 VAL B CG1 1 ATOM 5982 C CG2 . VAL B 1 235 ? -29.826 21.980 -52.345 1.00 37.64 ? 233 VAL B CG2 1 ATOM 5983 N N . THR B 1 236 ? -27.743 17.920 -51.585 1.00 46.03 ? 234 THR B N 1 ATOM 5984 C CA . THR B 1 236 ? -27.250 16.605 -51.969 1.00 46.66 ? 234 THR B CA 1 ATOM 5985 C C . THR B 1 236 ? -28.329 15.851 -52.743 1.00 38.40 ? 234 THR B C 1 ATOM 5986 O O . THR B 1 236 ? -29.492 15.900 -52.379 1.00 41.46 ? 234 THR B O 1 ATOM 5987 C CB . THR B 1 236 ? -26.841 15.801 -50.725 1.00 50.63 ? 234 THR B CB 1 ATOM 5988 O OG1 . THR B 1 236 ? -25.991 16.607 -49.908 1.00 57.40 ? 234 THR B OG1 1 ATOM 5989 C CG2 . THR B 1 236 ? -26.084 14.569 -51.120 1.00 53.83 ? 234 THR B CG2 1 ATOM 5990 N N . SER B 1 237 ? -27.948 15.169 -53.819 1.00 45.71 ? 235 SER B N 1 ATOM 5991 C CA . SER B 1 237 ? -28.900 14.324 -54.548 1.00 50.23 ? 235 SER B CA 1 ATOM 5992 C C . SER B 1 237 ? -29.361 13.135 -53.698 1.00 46.84 ? 235 SER B C 1 ATOM 5993 O O . SER B 1 237 ? -28.683 12.739 -52.741 1.00 53.96 ? 235 SER B O 1 ATOM 5994 C CB . SER B 1 237 ? -28.287 13.804 -55.840 1.00 42.91 ? 235 SER B CB 1 ATOM 5995 O OG . SER B 1 237 ? -27.521 12.646 -55.586 1.00 48.87 ? 235 SER B OG 1 ATOM 5996 N N . LEU B 1 238 ? -30.521 12.589 -54.047 1.00 40.52 ? 236 LEU B N 1 ATOM 5997 C CA . LEU B 1 238 ? -31.094 11.416 -53.377 1.00 56.63 ? 236 LEU B CA 1 ATOM 5998 C C . LEU B 1 238 ? -30.161 10.209 -53.346 1.00 55.22 ? 236 LEU B C 1 ATOM 5999 O O . LEU B 1 238 ? -30.023 9.563 -52.308 1.00 53.12 ? 236 LEU B O 1 ATOM 6000 C CB . LEU B 1 238 ? -32.419 10.996 -54.024 1.00 66.92 ? 236 LEU B CB 1 ATOM 6001 C CG . LEU B 1 238 ? -33.588 11.967 -53.883 1.00 73.26 ? 236 LEU B CG 1 ATOM 6002 C CD1 . LEU B 1 238 ? -33.450 12.728 -52.572 1.00 65.98 ? 236 LEU B CD1 1 ATOM 6003 C CD2 . LEU B 1 238 ? -33.675 12.905 -55.088 1.00 80.27 ? 236 LEU B CD2 1 ATOM 6004 N N . TYR B 1 239 ? -29.543 9.900 -54.485 1.00 53.57 ? 237 TYR B N 1 ATOM 6005 C CA . TYR B 1 239 ? -28.569 8.821 -54.537 1.00 56.63 ? 237 TYR B CA 1 ATOM 6006 C C . TYR B 1 239 ? -27.436 9.059 -53.522 1.00 58.31 ? 237 TYR B C 1 ATOM 6007 O O . TYR B 1 239 ? -27.127 8.178 -52.722 1.00 55.65 ? 237 TYR B O 1 ATOM 6008 C CB . TYR B 1 239 ? -28.022 8.625 -55.960 1.00 53.48 ? 237 TYR B CB 1 ATOM 6009 C CG . TYR B 1 239 ? -26.969 7.532 -56.071 1.00 76.05 ? 237 TYR B CG 1 ATOM 6010 C CD1 . TYR B 1 239 ? -25.615 7.817 -55.879 1.00 83.91 ? 237 TYR B CD1 1 ATOM 6011 C CD2 . TYR B 1 239 ? -27.323 6.216 -56.365 1.00 82.16 ? 237 TYR B CD2 1 ATOM 6012 C CE1 . TYR B 1 239 ? -24.646 6.823 -55.973 1.00 88.11 ? 237 TYR B CE1 1 ATOM 6013 C CE2 . TYR B 1 239 ? -26.359 5.218 -56.470 1.00 87.61 ? 237 TYR B CE2 1 ATOM 6014 C CZ . TYR B 1 239 ? -25.024 5.528 -56.270 1.00 91.90 ? 237 TYR B CZ 1 ATOM 6015 O OH . TYR B 1 239 ? -24.063 4.547 -56.367 1.00 96.21 ? 237 TYR B OH 1 ATOM 6016 N N . GLU B 1 240 ? -26.832 10.247 -53.541 1.00 53.19 ? 238 GLU B N 1 ATOM 6017 C CA . GLU B 1 240 ? -25.745 10.538 -52.617 1.00 47.99 ? 238 GLU B CA 1 ATOM 6018 C C . GLU B 1 240 ? -26.191 10.520 -51.149 1.00 48.97 ? 238 GLU B C 1 ATOM 6019 O O . GLU B 1 240 ? -25.457 10.054 -50.276 1.00 51.38 ? 238 GLU B O 1 ATOM 6020 C CB . GLU B 1 240 ? -25.143 11.896 -52.896 1.00 47.01 ? 238 GLU B CB 1 ATOM 6021 C CG . GLU B 1 240 ? -24.483 12.125 -54.222 1.00 54.30 ? 238 GLU B CG 1 ATOM 6022 C CD . GLU B 1 240 ? -24.043 13.595 -54.340 0.09 49.73 ? 238 GLU B CD 1 ATOM 6023 O OE1 . GLU B 1 240 ? -24.926 14.478 -54.492 0.85 45.31 ? 238 GLU B OE1 1 ATOM 6024 O OE2 . GLU B 1 240 ? -22.824 13.874 -54.232 0.66 47.26 ? 238 GLU B OE2 1 ATOM 6025 N N . ALA B 1 241 ? -27.380 11.046 -50.872 1.00 39.10 ? 239 ALA B N 1 ATOM 6026 C CA . ALA B 1 241 ? -27.864 11.096 -49.493 1.00 42.24 ? 239 ALA B CA 1 ATOM 6027 C C . ALA B 1 241 ? -28.097 9.687 -48.951 1.00 49.80 ? 239 ALA B C 1 ATOM 6028 O O . ALA B 1 241 ? -27.821 9.400 -47.788 1.00 52.47 ? 239 ALA B O 1 ATOM 6029 C CB . ALA B 1 241 ? -29.138 11.908 -49.406 1.00 34.13 ? 239 ALA B CB 1 ATOM 6030 N N . ARG B 1 242 ? -28.615 8.816 -49.808 1.00 45.89 ? 240 ARG B N 1 ATOM 6031 C CA . ARG B 1 242 ? -28.860 7.444 -49.428 1.00 50.01 ? 240 ARG B CA 1 ATOM 6032 C C . ARG B 1 242 ? -27.536 6.700 -49.210 1.00 52.29 ? 240 ARG B C 1 ATOM 6033 O O . ARG B 1 242 ? -27.388 5.972 -48.232 1.00 56.01 ? 240 ARG B O 1 ATOM 6034 C CB . ARG B 1 242 ? -29.737 6.736 -50.464 1.00 50.33 ? 240 ARG B CB 1 ATOM 6035 C CG . ARG B 1 242 ? -29.766 5.249 -50.248 1.00 63.89 ? 240 ARG B CG 1 ATOM 6036 C CD . ARG B 1 242 ? -30.739 4.504 -51.132 1.00 69.00 ? 240 ARG B CD 1 ATOM 6037 N NE . ARG B 1 242 ? -31.160 3.292 -50.439 1.00 66.12 ? 240 ARG B NE 1 ATOM 6038 C CZ . ARG B 1 242 ? -32.196 3.247 -49.609 1.00 57.20 ? 240 ARG B CZ 1 ATOM 6039 N NH1 . ARG B 1 242 ? -32.932 4.335 -49.406 1.00 57.75 ? 240 ARG B NH1 1 ATOM 6040 N NH2 . ARG B 1 242 ? -32.508 2.118 -48.999 1.00 48.77 ? 240 ARG B NH2 1 ATOM 6041 N N . ASN B 1 243 ? -26.574 6.897 -50.108 1.00 45.80 ? 241 ASN B N 1 ATOM 6042 C CA . ASN B 1 243 ? -25.250 6.301 -49.961 1.00 40.35 ? 241 ASN B CA 1 ATOM 6043 C C . ASN B 1 243 ? -24.583 6.687 -48.639 1.00 46.14 ? 241 ASN B C 1 ATOM 6044 O O . ASN B 1 243 ? -24.017 5.844 -47.934 1.00 41.67 ? 241 ASN B O 1 ATOM 6045 C CB . ASN B 1 243 ? -24.342 6.732 -51.106 1.00 44.36 ? 241 ASN B CB 1 ATOM 6046 C CG . ASN B 1 243 ? -23.370 5.650 -51.503 1.00 60.45 ? 241 ASN B CG 1 ATOM 6047 O OD1 . ASN B 1 243 ? -23.776 4.550 -51.886 1.00 64.21 ? 241 ASN B OD1 1 ATOM 6048 N ND2 . ASN B 1 243 ? -22.081 5.947 -51.421 1.00 78.89 ? 241 ASN B ND2 1 ATOM 6049 N N . ARG B 1 244 ? -24.648 7.972 -48.318 1.00 41.25 ? 242 ARG B N 1 ATOM 6050 C CA . ARG B 1 244 ? -24.024 8.488 -47.116 1.00 38.94 ? 242 ARG B CA 1 ATOM 6051 C C . ARG B 1 244 ? -24.648 7.869 -45.878 1.00 44.50 ? 242 ARG B C 1 ATOM 6052 O O . ARG B 1 244 ? -23.944 7.476 -44.951 1.00 48.11 ? 242 ARG B O 1 ATOM 6053 C CB . ARG B 1 244 ? -24.134 10.010 -47.094 1.00 34.20 ? 242 ARG B CB 1 ATOM 6054 C CG . ARG B 1 244 ? -23.123 10.671 -48.012 1.00 30.97 ? 242 ARG B CG 1 ATOM 6055 C CD . ARG B 1 244 ? -23.492 12.108 -48.341 1.00 33.92 ? 242 ARG B CD 1 ATOM 6056 N NE . ARG B 1 244 ? -22.789 12.552 -49.542 1.00 38.33 ? 242 ARG B NE 1 ATOM 6057 C CZ . ARG B 1 244 ? -22.335 13.783 -49.726 1.00 38.88 ? 242 ARG B CZ 1 ATOM 6058 N NH1 . ARG B 1 244 ? -22.510 14.698 -48.785 1.00 36.59 ? 242 ARG B NH1 1 ATOM 6059 N NH2 . ARG B 1 244 ? -21.705 14.099 -50.847 1.00 48.48 ? 242 ARG B NH2 1 ATOM 6060 N N . THR B 1 245 ? -25.972 7.769 -45.886 1.00 45.79 ? 243 THR B N 1 ATOM 6061 C CA . THR B 1 245 ? -26.721 7.171 -44.787 1.00 42.15 ? 243 THR B CA 1 ATOM 6062 C C . THR B 1 245 ? -26.354 5.703 -44.596 1.00 39.87 ? 243 THR B C 1 ATOM 6063 O O . THR B 1 245 ? -26.185 5.234 -43.474 1.00 41.32 ? 243 THR B O 1 ATOM 6064 C CB . THR B 1 245 ? -28.228 7.260 -45.048 1.00 43.82 ? 243 THR B CB 1 ATOM 6065 O OG1 . THR B 1 245 ? -28.635 8.629 -45.005 1.00 40.20 ? 243 THR B OG1 1 ATOM 6066 C CG2 . THR B 1 245 ? -29.017 6.447 -44.023 1.00 36.86 ? 243 THR B CG2 1 ATOM 6067 N N . LEU B 1 246 ? -26.237 4.979 -45.699 1.00 42.92 ? 244 LEU B N 1 ATOM 6068 C CA . LEU B 1 246 ? -25.865 3.575 -45.640 1.00 46.85 ? 244 LEU B CA 1 ATOM 6069 C C . LEU B 1 246 ? -24.402 3.402 -45.228 1.00 42.87 ? 244 LEU B C 1 ATOM 6070 O O . LEU B 1 246 ? -24.051 2.396 -44.612 1.00 38.46 ? 244 LEU B O 1 ATOM 6071 C CB . LEU B 1 246 ? -26.136 2.885 -46.978 1.00 49.27 ? 244 LEU B CB 1 ATOM 6072 C CG . LEU B 1 246 ? -27.607 2.756 -47.376 1.00 47.18 ? 244 LEU B CG 1 ATOM 6073 C CD1 . LEU B 1 246 ? -27.718 1.984 -48.680 1.00 43.70 ? 244 LEU B CD1 1 ATOM 6074 C CD2 . LEU B 1 246 ? -28.405 2.077 -46.278 1.00 47.34 ? 244 LEU B CD2 1 ATOM 6075 N N . ASN B 1 247 ? -23.554 4.365 -45.590 1.00 31.60 ? 245 ASN B N 1 ATOM 6076 C CA . ASN B 1 247 ? -22.174 4.350 -45.138 1.00 39.19 ? 245 ASN B CA 1 ATOM 6077 C C . ASN B 1 247 ? -22.108 4.531 -43.628 1.00 47.37 ? 245 ASN B C 1 ATOM 6078 O O . ASN B 1 247 ? -21.316 3.862 -42.947 1.00 44.70 ? 245 ASN B O 1 ATOM 6079 C CB . ASN B 1 247 ? -21.349 5.432 -45.816 1.00 42.17 ? 245 ASN B CB 1 ATOM 6080 C CG . ASN B 1 247 ? -21.082 5.135 -47.273 1.00 43.11 ? 245 ASN B CG 1 ATOM 6081 O OD1 . ASN B 1 247 ? -21.201 4.001 -47.717 1.00 44.33 ? 245 ASN B OD1 1 ATOM 6082 N ND2 . ASN B 1 247 ? -20.687 6.160 -48.021 1.00 43.91 ? 245 ASN B ND2 1 ATOM 6083 N N . LEU B 1 248 ? -22.944 5.435 -43.114 1.00 46.32 ? 246 LEU B N 1 ATOM 6084 C CA . LEU B 1 248 ? -23.003 5.692 -41.673 1.00 46.82 ? 246 LEU B CA 1 ATOM 6085 C C . LEU B 1 248 ? -23.497 4.464 -40.920 1.00 41.04 ? 246 LEU B C 1 ATOM 6086 O O . LEU B 1 248 ? -22.981 4.145 -39.856 1.00 41.18 ? 246 LEU B O 1 ATOM 6087 C CB . LEU B 1 248 ? -23.888 6.901 -41.340 1.00 43.12 ? 246 LEU B CB 1 ATOM 6088 C CG . LEU B 1 248 ? -23.929 7.324 -39.856 1.00 39.53 ? 246 LEU B CG 1 ATOM 6089 C CD1 . LEU B 1 248 ? -22.624 7.990 -39.409 1.00 32.51 ? 246 LEU B CD1 1 ATOM 6090 C CD2 . LEU B 1 248 ? -25.109 8.244 -39.576 1.00 27.63 ? 246 LEU B CD2 1 ATOM 6091 N N . ALA B 1 249 ? -24.494 3.779 -41.476 1.00 38.84 ? 247 ALA B N 1 ATOM 6092 C CA . ALA B 1 249 ? -25.008 2.556 -40.853 1.00 42.86 ? 247 ALA B CA 1 ATOM 6093 C C . ALA B 1 249 ? -23.889 1.539 -40.777 1.00 43.22 ? 247 ALA B C 1 ATOM 6094 O O . ALA B 1 249 ? -23.708 0.883 -39.755 1.00 40.10 ? 247 ALA B O 1 ATOM 6095 C CB . ALA B 1 249 ? -26.195 1.992 -41.625 1.00 38.11 ? 247 ALA B CB 1 ATOM 6096 N N . LYS B 1 250 ? -23.120 1.447 -41.857 1.00 42.08 ? 248 LYS B N 1 ATOM 6097 C CA . LYS B 1 250 ? -21.985 0.538 -41.917 1.00 46.74 ? 248 LYS B CA 1 ATOM 6098 C C . LYS B 1 250 ? -20.941 0.894 -40.869 1.00 45.67 ? 248 LYS B C 1 ATOM 6099 O O . LYS B 1 250 ? -20.502 0.040 -40.111 1.00 46.07 ? 248 LYS B O 1 ATOM 6100 C CB . LYS B 1 250 ? -21.360 0.560 -43.310 1.00 47.87 ? 248 LYS B CB 1 ATOM 6101 C CG . LYS B 1 250 ? -20.405 -0.581 -43.593 1.00 51.80 ? 248 LYS B CG 1 ATOM 6102 C CD . LYS B 1 250 ? -19.796 -0.442 -44.985 1.00 72.67 ? 248 LYS B CD 1 ATOM 6103 C CE . LYS B 1 250 ? -20.879 -0.231 -46.056 1.00 86.82 ? 248 LYS B CE 1 ATOM 6104 N NZ . LYS B 1 250 ? -20.343 -0.095 -47.449 1.00 90.06 ? 248 LYS B NZ 1 ATOM 6105 N N . LEU B 1 251 ? -20.560 2.167 -40.830 1.00 46.86 ? 249 LEU B N 1 ATOM 6106 C CA . LEU B 1 251 ? -19.543 2.653 -39.902 1.00 41.33 ? 249 LEU B CA 1 ATOM 6107 C C . LEU B 1 251 ? -19.938 2.465 -38.432 1.00 43.38 ? 249 LEU B C 1 ATOM 6108 O O . LEU B 1 251 ? -19.078 2.351 -37.562 1.00 40.95 ? 249 LEU B O 1 ATOM 6109 C CB . LEU B 1 251 ? -19.252 4.128 -40.175 1.00 39.22 ? 249 LEU B CB 1 ATOM 6110 C CG . LEU B 1 251 ? -18.620 4.438 -41.534 1.00 41.63 ? 249 LEU B CG 1 ATOM 6111 C CD1 . LEU B 1 251 ? -18.819 5.902 -41.943 1.00 31.05 ? 249 LEU B CD1 1 ATOM 6112 C CD2 . LEU B 1 251 ? -17.151 4.049 -41.547 1.00 35.32 ? 249 LEU B CD2 1 ATOM 6113 N N . THR B 1 252 ? -21.236 2.411 -38.157 1.00 39.81 ? 250 THR B N 1 ATOM 6114 C CA . THR B 1 252 ? -21.687 2.328 -36.781 1.00 34.20 ? 250 THR B CA 1 ATOM 6115 C C . THR B 1 252 ? -22.176 0.956 -36.387 1.00 39.61 ? 250 THR B C 1 ATOM 6116 O O . THR B 1 252 ? -22.668 0.778 -35.273 1.00 45.40 ? 250 THR B O 1 ATOM 6117 C CB . THR B 1 252 ? -22.798 3.340 -36.477 1.00 37.99 ? 250 THR B CB 1 ATOM 6118 O OG1 . THR B 1 252 ? -23.885 3.119 -37.371 1.00 40.03 ? 250 THR B OG1 1 ATOM 6119 C CG2 . THR B 1 252 ? -22.281 4.779 -36.604 1.00 30.10 ? 250 THR B CG2 1 ATOM 6120 N N . GLY B 1 253 ? -22.014 -0.022 -37.278 1.00 37.27 ? 251 GLY B N 1 ATOM 6121 C CA . GLY B 1 253 ? -22.474 -1.366 -37.000 1.00 36.83 ? 251 GLY B CA 1 ATOM 6122 C C . GLY B 1 253 ? -23.981 -1.488 -37.116 1.00 53.66 ? 251 GLY B C 1 ATOM 6123 O O . GLY B 1 253 ? -24.596 -2.360 -36.498 1.00 48.03 ? 251 GLY B O 1 ATOM 6124 N N . CYS B 1 254 ? -24.580 -0.617 -37.926 1.00 55.21 ? 252 CYS B N 1 ATOM 6125 C CA . CYS B 1 254 ? -26.029 -0.599 -38.102 1.00 51.71 ? 252 CYS B CA 1 ATOM 6126 C C . CYS B 1 254 ? -26.510 -1.047 -39.493 1.00 49.39 ? 252 CYS B C 1 ATOM 6127 O O . CYS B 1 254 ? -27.681 -0.891 -39.823 1.00 48.42 ? 252 CYS B O 1 ATOM 6128 C CB . CYS B 1 254 ? -26.576 0.793 -37.772 1.00 48.88 ? 252 CYS B CB 1 ATOM 6129 S SG . CYS B 1 254 ? -26.566 1.195 -36.013 1.00 46.56 ? 252 CYS B SG 1 ATOM 6130 N N . SER B 1 255 ? -25.616 -1.601 -40.305 1.00 55.43 ? 253 SER B N 1 ATOM 6131 C CA . SER B 1 255 ? -26.022 -2.100 -41.614 1.00 57.27 ? 253 SER B CA 1 ATOM 6132 C C . SER B 1 255 ? -27.039 -3.205 -41.433 1.00 59.29 ? 253 SER B C 1 ATOM 6133 O O . SER B 1 255 ? -26.734 -4.244 -40.874 1.00 53.90 ? 253 SER B O 1 ATOM 6134 C CB . SER B 1 255 ? -24.828 -2.621 -42.398 1.00 60.07 ? 253 SER B CB 1 ATOM 6135 O OG . SER B 1 255 ? -24.157 -1.546 -43.019 1.00 68.03 ? 253 SER B OG 1 ATOM 6136 N N . ARG B 1 256 ? -28.259 -2.965 -41.888 1.00 65.77 ? 254 ARG B N 1 ATOM 6137 C CA . ARG B 1 256 ? -29.335 -3.912 -41.659 1.00 65.17 ? 254 ARG B CA 1 ATOM 6138 C C . ARG B 1 256 ? -29.981 -4.339 -42.965 1.00 67.71 ? 254 ARG B C 1 ATOM 6139 O O . ARG B 1 256 ? -29.667 -3.827 -44.040 1.00 65.68 ? 254 ARG B O 1 ATOM 6140 C CB . ARG B 1 256 ? -30.385 -3.314 -40.716 1.00 63.18 ? 254 ARG B CB 1 ATOM 6141 C CG . ARG B 1 256 ? -30.446 -3.930 -39.330 1.00 58.81 ? 254 ARG B CG 1 ATOM 6142 C CD . ARG B 1 256 ? -29.065 -4.145 -38.758 1.00 64.54 ? 254 ARG B CD 1 ATOM 6143 N NE . ARG B 1 256 ? -29.059 -4.200 -37.299 1.00 59.63 ? 254 ARG B NE 1 ATOM 6144 C CZ . ARG B 1 256 ? -27.967 -4.015 -36.564 1.00 64.95 ? 254 ARG B CZ 1 ATOM 6145 N NH1 . ARG B 1 256 ? -26.807 -3.769 -37.160 1.00 62.82 ? 254 ARG B NH1 1 ATOM 6146 N NH2 . ARG B 1 256 ? -28.030 -4.065 -35.237 1.00 69.81 ? 254 ARG B NH2 1 ATOM 6147 N N . GLU B 1 257 ? -30.899 -5.283 -42.838 1.00 72.97 ? 255 GLU B N 1 ATOM 6148 C CA . GLU B 1 257 ? -31.599 -5.895 -43.954 1.00 80.78 ? 255 GLU B CA 1 ATOM 6149 C C . GLU B 1 257 ? -32.630 -4.954 -44.577 1.00 76.32 ? 255 GLU B C 1 ATOM 6150 O O . GLU B 1 257 ? -32.702 -4.829 -45.798 1.00 81.64 ? 255 GLU B O 1 ATOM 6151 C CB . GLU B 1 257 ? -32.257 -7.197 -43.481 1.00 93.69 ? 255 GLU B CB 1 ATOM 6152 C CG . GLU B 1 257 ? -32.784 -7.168 -42.025 1.00 98.55 ? 255 GLU B CG 1 ATOM 6153 C CD . GLU B 1 257 ? -31.683 -7.274 -40.959 1.00 99.60 ? 255 GLU B CD 1 ATOM 6154 O OE1 . GLU B 1 257 ? -30.541 -7.649 -41.308 1.00 102.85 ? 255 GLU B OE1 1 ATOM 6155 O OE2 . GLU B 1 257 ? -31.959 -6.965 -39.777 1.00 94.47 ? 255 GLU B OE2 1 ATOM 6156 N N . ASN B 1 258 ? -33.425 -4.300 -43.732 1.00 71.90 ? 256 ASN B N 1 ATOM 6157 C CA . ASN B 1 258 ? -34.368 -3.273 -44.180 1.00 69.26 ? 256 ASN B CA 1 ATOM 6158 C C . ASN B 1 258 ? -34.185 -1.929 -43.453 1.00 63.64 ? 256 ASN B C 1 ATOM 6159 O O . ASN B 1 258 ? -33.483 -1.843 -42.449 1.00 54.68 ? 256 ASN B O 1 ATOM 6160 C CB . ASN B 1 258 ? -35.814 -3.764 -44.053 1.00 73.11 ? 256 ASN B CB 1 ATOM 6161 C CG . ASN B 1 258 ? -36.216 -4.048 -42.617 1.00 88.08 ? 256 ASN B CG 1 ATOM 6162 O OD1 . ASN B 1 258 ? -35.403 -3.955 -41.704 1.00 90.66 ? 256 ASN B OD1 1 ATOM 6163 N ND2 . ASN B 1 258 ? -37.497 -4.334 -42.409 1.00 106.87 ? 256 ASN B ND2 1 ATOM 6164 N N . GLU B 1 259 ? -34.838 -0.887 -43.955 1.00 67.48 ? 257 GLU B N 1 ATOM 6165 C CA . GLU B 1 259 ? -34.630 0.465 -43.438 1.00 62.16 ? 257 GLU B CA 1 ATOM 6166 C C . GLU B 1 259 ? -35.174 0.688 -42.032 1.00 63.60 ? 257 GLU B C 1 ATOM 6167 O O . GLU B 1 259 ? -34.610 1.470 -41.268 1.00 67.36 ? 257 GLU B O 1 ATOM 6168 C CB . GLU B 1 259 ? -35.209 1.512 -44.387 1.00 56.15 ? 257 GLU B CB 1 ATOM 6169 C CG . GLU B 1 259 ? -34.487 1.606 -45.732 1.00 66.61 ? 257 GLU B CG 1 ATOM 6170 C CD . GLU B 1 259 ? -35.240 2.456 -46.751 1.00 70.61 ? 257 GLU B CD 1 ATOM 6171 O OE1 . GLU B 1 259 ? -36.163 3.200 -46.351 1.00 62.06 ? 257 GLU B OE1 1 ATOM 6172 O OE2 . GLU B 1 259 ? -34.916 2.370 -47.955 1.00 81.70 ? 257 GLU B OE2 1 ATOM 6173 N N . THR B 1 260 ? -36.263 0.017 -41.683 1.00 58.31 ? 258 THR B N 1 ATOM 6174 C CA . THR B 1 260 ? -36.847 0.216 -40.362 1.00 63.16 ? 258 THR B CA 1 ATOM 6175 C C . THR B 1 260 ? -35.913 -0.258 -39.244 1.00 70.68 ? 258 THR B C 1 ATOM 6176 O O . THR B 1 260 ? -35.905 0.309 -38.149 1.00 76.15 ? 258 THR B O 1 ATOM 6177 C CB . THR B 1 260 ? -38.238 -0.440 -40.223 1.00 65.11 ? 258 THR B CB 1 ATOM 6178 O OG1 . THR B 1 260 ? -38.590 -0.527 -38.836 1.00 62.78 ? 258 THR B OG1 1 ATOM 6179 C CG2 . THR B 1 260 ? -38.238 -1.829 -40.806 1.00 69.26 ? 258 THR B CG2 1 ATOM 6180 N N . GLU B 1 261 ? -35.112 -1.280 -39.531 1.00 68.97 ? 259 GLU B N 1 ATOM 6181 C CA . GLU B 1 261 ? -34.154 -1.789 -38.557 1.00 57.79 ? 259 GLU B CA 1 ATOM 6182 C C . GLU B 1 261 ? -32.883 -0.959 -38.529 1.00 53.54 ? 259 GLU B C 1 ATOM 6183 O O . GLU B 1 261 ? -32.300 -0.763 -37.459 1.00 53.37 ? 259 GLU B O 1 ATOM 6184 C CB . GLU B 1 261 ? -33.810 -3.251 -38.832 1.00 59.50 ? 259 GLU B CB 1 ATOM 6185 C CG . GLU B 1 261 ? -34.942 -4.197 -38.560 1.00 64.75 ? 259 GLU B CG 1 ATOM 6186 C CD . GLU B 1 261 ? -35.325 -4.245 -37.104 1.00 73.68 ? 259 GLU B CD 1 ATOM 6187 O OE1 . GLU B 1 261 ? -34.415 -4.138 -36.255 1.00 84.22 ? 259 GLU B OE1 1 ATOM 6188 O OE2 . GLU B 1 261 ? -36.532 -4.393 -36.809 1.00 72.56 ? 259 GLU B OE2 1 ATOM 6189 N N . ILE B 1 262 ? -32.447 -0.492 -39.701 1.00 42.86 ? 260 ILE B N 1 ATOM 6190 C CA . ILE B 1 262 ? -31.318 0.426 -39.776 1.00 41.36 ? 260 ILE B CA 1 ATOM 6191 C C . ILE B 1 262 ? -31.553 1.605 -38.832 1.00 48.39 ? 260 ILE B C 1 ATOM 6192 O O . ILE B 1 262 ? -30.657 2.007 -38.089 1.00 52.54 ? 260 ILE B O 1 ATOM 6193 C CB . ILE B 1 262 ? -31.079 0.966 -41.210 1.00 48.03 ? 260 ILE B CB 1 ATOM 6194 C CG1 . ILE B 1 262 ? -30.505 -0.126 -42.118 1.00 44.86 ? 260 ILE B CG1 1 ATOM 6195 C CG2 . ILE B 1 262 ? -30.134 2.181 -41.182 1.00 32.99 ? 260 ILE B CG2 1 ATOM 6196 C CD1 . ILE B 1 262 ? -30.326 0.311 -43.575 1.00 39.23 ? 260 ILE B CD1 1 ATOM 6197 N N . ILE B 1 263 ? -32.779 2.125 -38.834 1.00 52.39 ? 261 ILE B N 1 ATOM 6198 C CA . ILE B 1 263 ? -33.103 3.292 -38.023 1.00 49.03 ? 261 ILE B CA 1 ATOM 6199 C C . ILE B 1 263 ? -33.242 2.970 -36.535 1.00 48.16 ? 261 ILE B C 1 ATOM 6200 O O . ILE B 1 263 ? -32.765 3.730 -35.703 1.00 53.53 ? 261 ILE B O 1 ATOM 6201 C CB . ILE B 1 263 ? -34.349 4.037 -38.543 1.00 53.64 ? 261 ILE B CB 1 ATOM 6202 C CG1 . ILE B 1 263 ? -34.170 4.387 -40.013 1.00 61.07 ? 261 ILE B CG1 1 ATOM 6203 C CG2 . ILE B 1 263 ? -34.567 5.320 -37.760 1.00 49.45 ? 261 ILE B CG2 1 ATOM 6204 C CD1 . ILE B 1 263 ? -32.945 5.226 -40.266 1.00 67.25 ? 261 ILE B CD1 1 ATOM 6205 N N . LYS B 1 264 ? -33.896 1.858 -36.201 1.00 54.37 ? 262 LYS B N 1 ATOM 6206 C CA . LYS B 1 264 ? -33.962 1.412 -34.809 1.00 55.71 ? 262 LYS B CA 1 ATOM 6207 C C . LYS B 1 264 ? -32.563 1.405 -34.197 1.00 50.93 ? 262 LYS B C 1 ATOM 6208 O O . LYS B 1 264 ? -32.350 1.917 -33.101 1.00 57.77 ? 262 LYS B O 1 ATOM 6209 C CB . LYS B 1 264 ? -34.551 -0.003 -34.708 1.00 66.52 ? 262 LYS B CB 1 ATOM 6210 C CG . LYS B 1 264 ? -36.067 -0.084 -34.753 1.00 78.57 ? 262 LYS B CG 1 ATOM 6211 C CD . LYS B 1 264 ? -36.535 -1.518 -34.533 1.00 87.00 ? 262 LYS B CD 1 ATOM 6212 C CE . LYS B 1 264 ? -38.014 -1.694 -34.870 1.00 90.35 ? 262 LYS B CE 1 ATOM 6213 N NZ . LYS B 1 264 ? -38.468 -3.109 -34.698 1.00 91.29 ? 262 LYS B NZ 1 ATOM 6214 N N . CYS B 1 265 ? -31.623 0.821 -34.933 1.00 41.76 ? 263 CYS B N 1 ATOM 6215 C CA . CYS B 1 265 ? -30.240 0.672 -34.495 1.00 50.06 ? 263 CYS B CA 1 ATOM 6216 C C . CYS B 1 265 ? -29.554 2.044 -34.357 1.00 43.93 ? 263 CYS B C 1 ATOM 6217 O O . CYS B 1 265 ? -28.907 2.320 -33.353 1.00 50.21 ? 263 CYS B O 1 ATOM 6218 C CB . CYS B 1 265 ? -29.492 -0.297 -35.443 1.00 54.20 ? 263 CYS B CB 1 ATOM 6219 S SG . CYS B 1 265 ? -27.677 -0.395 -35.318 1.00 74.08 ? 263 CYS B SG 1 ATOM 6220 N N . LEU B 1 266 ? -29.733 2.909 -35.346 1.00 45.43 ? 264 LEU B N 1 ATOM 6221 C CA . LEU B 1 266 ? -29.192 4.265 -35.281 1.00 46.88 ? 264 LEU B CA 1 ATOM 6222 C C . LEU B 1 266 ? -29.755 5.069 -34.099 1.00 47.84 ? 264 LEU B C 1 ATOM 6223 O O . LEU B 1 266 ? -29.040 5.865 -33.493 1.00 50.51 ? 264 LEU B O 1 ATOM 6224 C CB . LEU B 1 266 ? -29.414 4.999 -36.608 1.00 40.30 ? 264 LEU B CB 1 ATOM 6225 C CG . LEU B 1 266 ? -28.525 4.504 -37.750 1.00 37.37 ? 264 LEU B CG 1 ATOM 6226 C CD1 . LEU B 1 266 ? -28.906 5.128 -39.086 1.00 38.73 ? 264 LEU B CD1 1 ATOM 6227 C CD2 . LEU B 1 266 ? -27.062 4.786 -37.432 1.00 37.91 ? 264 LEU B CD2 1 ATOM 6228 N N . ARG B 1 267 ? -31.022 4.846 -33.759 1.00 41.87 ? 265 ARG B N 1 ATOM 6229 C CA . ARG B 1 267 ? -31.610 5.499 -32.590 1.00 47.01 ? 265 ARG B CA 1 ATOM 6230 C C . ARG B 1 267 ? -30.973 5.071 -31.264 1.00 54.82 ? 265 ARG B C 1 ATOM 6231 O O . ARG B 1 267 ? -31.086 5.777 -30.258 1.00 57.65 ? 265 ARG B O 1 ATOM 6232 C CB . ARG B 1 267 ? -33.117 5.273 -32.544 1.00 41.56 ? 265 ARG B CB 1 ATOM 6233 C CG . ARG B 1 267 ? -33.839 5.980 -33.668 1.00 47.82 ? 265 ARG B CG 1 ATOM 6234 C CD . ARG B 1 267 ? -35.281 6.246 -33.319 1.00 57.63 ? 265 ARG B CD 1 ATOM 6235 N NE . ARG B 1 267 ? -35.890 7.144 -34.293 1.00 71.12 ? 265 ARG B NE 1 ATOM 6236 C CZ . ARG B 1 267 ? -36.730 6.754 -35.246 1.00 76.52 ? 265 ARG B CZ 1 ATOM 6237 N NH1 . ARG B 1 267 ? -37.070 5.471 -35.347 1.00 68.57 ? 265 ARG B NH1 1 ATOM 6238 N NH2 . ARG B 1 267 ? -37.230 7.648 -36.096 1.00 74.78 ? 265 ARG B NH2 1 ATOM 6239 N N . ASN B 1 268 ? -30.294 3.926 -31.264 1.00 43.96 ? 266 ASN B N 1 ATOM 6240 C CA . ASN B 1 268 ? -29.622 3.454 -30.060 1.00 41.10 ? 266 ASN B CA 1 ATOM 6241 C C . ASN B 1 268 ? -28.150 3.809 -29.909 1.00 42.62 ? 266 ASN B C 1 ATOM 6242 O O . ASN B 1 268 ? -27.563 3.557 -28.857 1.00 47.71 ? 266 ASN B O 1 ATOM 6243 C CB . ASN B 1 268 ? -29.788 1.951 -29.907 1.00 52.46 ? 266 ASN B CB 1 ATOM 6244 C CG . ASN B 1 268 ? -31.000 1.609 -29.125 1.00 64.68 ? 266 ASN B CG 1 ATOM 6245 O OD1 . ASN B 1 268 ? -31.876 0.906 -29.606 1.00 67.32 ? 266 ASN B OD1 1 ATOM 6246 N ND2 . ASN B 1 268 ? -31.088 2.145 -27.910 1.00 75.84 ? 266 ASN B ND2 1 ATOM 6247 N N . LYS B 1 269 ? -27.548 4.363 -30.955 1.00 43.69 ? 267 LYS B N 1 ATOM 6248 C CA . LYS B 1 269 ? -26.150 4.756 -30.877 1.00 45.36 ? 267 LYS B CA 1 ATOM 6249 C C . LYS B 1 269 ? -26.051 5.988 -29.996 1.00 41.56 ? 267 LYS B C 1 ATOM 6250 O O . LYS B 1 269 ? -26.931 6.842 -30.022 1.00 49.90 ? 267 LYS B O 1 ATOM 6251 C CB . LYS B 1 269 ? -25.575 5.063 -32.269 1.00 42.37 ? 267 LYS B CB 1 ATOM 6252 C CG . LYS B 1 269 ? -25.617 3.901 -33.233 1.00 46.01 ? 267 LYS B CG 1 ATOM 6253 C CD . LYS B 1 269 ? -24.918 2.660 -32.678 1.00 34.20 ? 267 LYS B CD 1 ATOM 6254 C CE . LYS B 1 269 ? -23.421 2.757 -32.825 1.00 35.74 ? 267 LYS B CE 1 ATOM 6255 N NZ . LYS B 1 269 ? -22.722 1.677 -32.112 1.00 53.32 ? 267 LYS B NZ 1 ATOM 6256 N N . ASP B 1 270 ? -24.990 6.059 -29.206 1.00 32.98 ? 268 ASP B N 1 ATOM 6257 C CA . ASP B 1 270 ? -24.650 7.274 -28.499 1.00 44.08 ? 268 ASP B CA 1 ATOM 6258 C C . ASP B 1 270 ? -24.427 8.342 -29.552 1.00 39.58 ? 268 ASP B C 1 ATOM 6259 O O . ASP B 1 270 ? -23.865 8.043 -30.592 1.00 35.56 ? 268 ASP B O 1 ATOM 6260 C CB . ASP B 1 270 ? -23.357 7.073 -27.713 1.00 51.69 ? 268 ASP B CB 1 ATOM 6261 C CG . ASP B 1 270 ? -23.603 6.600 -26.300 1.00 73.26 ? 268 ASP B CG 1 ATOM 6262 O OD1 . ASP B 1 270 ? -24.401 5.657 -26.104 1.00 76.32 ? 268 ASP B OD1 1 ATOM 6263 O OD2 . ASP B 1 270 ? -22.999 7.185 -25.377 1.00 85.62 ? 268 ASP B OD2 1 ATOM 6264 N N . PRO B 1 271 ? -24.857 9.586 -29.278 1.00 36.87 ? 269 PRO B N 1 ATOM 6265 C CA . PRO B 1 271 ? -24.635 10.723 -30.182 1.00 40.27 ? 269 PRO B CA 1 ATOM 6266 C C . PRO B 1 271 ? -23.197 10.771 -30.730 1.00 34.83 ? 269 PRO B C 1 ATOM 6267 O O . PRO B 1 271 ? -22.998 10.967 -31.921 1.00 38.11 ? 269 PRO B O 1 ATOM 6268 C CB . PRO B 1 271 ? -24.906 11.943 -29.285 1.00 42.20 ? 269 PRO B CB 1 ATOM 6269 C CG . PRO B 1 271 ? -25.842 11.456 -28.253 1.00 41.04 ? 269 PRO B CG 1 ATOM 6270 C CD . PRO B 1 271 ? -25.538 9.991 -28.037 1.00 41.70 ? 269 PRO B CD 1 ATOM 6271 N N . GLN B 1 272 ? -22.205 10.575 -29.873 1.00 34.28 ? 270 GLN B N 1 ATOM 6272 C CA . GLN B 1 272 ? -20.817 10.646 -30.321 1.00 37.56 ? 270 GLN B CA 1 ATOM 6273 C C . GLN B 1 272 ? -20.423 9.584 -31.358 1.00 43.53 ? 270 GLN B C 1 ATOM 6274 O O . GLN B 1 272 ? -19.548 9.831 -32.200 1.00 40.12 ? 270 GLN B O 1 ATOM 6275 C CB . GLN B 1 272 ? -19.853 10.627 -29.131 1.00 31.82 ? 270 GLN B CB 1 ATOM 6276 C CG . GLN B 1 272 ? -19.660 11.982 -28.446 1.00 48.19 ? 270 GLN B CG 1 ATOM 6277 C CD . GLN B 1 272 ? -18.914 13.000 -29.319 1.00 59.60 ? 270 GLN B CD 1 ATOM 6278 O OE1 . GLN B 1 272 ? -18.420 12.675 -30.397 1.00 64.80 ? 270 GLN B OE1 1 ATOM 6279 N NE2 . GLN B 1 272 ? -18.836 14.237 -28.847 1.00 60.53 ? 270 GLN B NE2 1 ATOM 6280 N N . GLU B 1 273 ? -21.051 8.407 -31.296 1.00 37.00 ? 271 GLU B N 1 ATOM 6281 C CA . GLU B 1 273 ? -20.778 7.372 -32.290 1.00 38.05 ? 271 GLU B CA 1 ATOM 6282 C C . GLU B 1 273 ? -21.360 7.747 -33.658 1.00 40.48 ? 271 GLU B C 1 ATOM 6283 O O . GLU B 1 273 ? -20.883 7.297 -34.699 1.00 50.76 ? 271 GLU B O 1 ATOM 6284 C CB . GLU B 1 273 ? -21.256 6.002 -31.812 1.00 37.71 ? 271 GLU B CB 1 ATOM 6285 C CG . GLU B 1 273 ? -20.247 5.344 -30.895 1.00 34.07 ? 271 GLU B CG 1 ATOM 6286 C CD . GLU B 1 273 ? -20.813 4.209 -30.090 1.00 39.95 ? 271 GLU B CD 1 ATOM 6287 O OE1 . GLU B 1 273 ? -22.049 4.039 -30.048 1.00 53.61 ? 271 GLU B OE1 1 ATOM 6288 O OE2 . GLU B 1 273 ? -20.009 3.487 -29.480 1.00 44.26 ? 271 GLU B OE2 1 ATOM 6289 N N . ILE B 1 274 ? -22.372 8.602 -33.650 1.00 32.03 ? 272 ILE B N 1 ATOM 6290 C CA . ILE B 1 274 ? -22.870 9.195 -34.880 1.00 31.79 ? 272 ILE B CA 1 ATOM 6291 C C . ILE B 1 274 ? -21.966 10.328 -35.357 1.00 32.87 ? 272 ILE B C 1 ATOM 6292 O O . ILE B 1 274 ? -21.511 10.328 -36.498 1.00 41.51 ? 272 ILE B O 1 ATOM 6293 C CB . ILE B 1 274 ? -24.323 9.688 -34.702 1.00 41.52 ? 272 ILE B CB 1 ATOM 6294 C CG1 . ILE B 1 274 ? -25.235 8.487 -34.408 1.00 45.21 ? 272 ILE B CG1 1 ATOM 6295 C CG2 . ILE B 1 274 ? -24.788 10.465 -35.943 1.00 31.32 ? 272 ILE B CG2 1 ATOM 6296 C CD1 . ILE B 1 274 ? -26.649 8.844 -34.057 1.00 48.40 ? 272 ILE B CD1 1 ATOM 6297 N N . LEU B 1 275 ? -21.696 11.284 -34.474 1.00 34.51 ? 273 LEU B N 1 ATOM 6298 C CA . LEU B 1 275 ? -20.855 12.434 -34.799 1.00 29.00 ? 273 LEU B CA 1 ATOM 6299 C C . LEU B 1 275 ? -19.472 12.074 -35.346 1.00 26.72 ? 273 LEU B C 1 ATOM 6300 O O . LEU B 1 275 ? -19.050 12.566 -36.396 1.00 30.49 ? 273 LEU B O 1 ATOM 6301 C CB . LEU B 1 275 ? -20.676 13.318 -33.564 1.00 37.27 ? 273 LEU B CB 1 ATOM 6302 C CG . LEU B 1 275 ? -21.850 14.119 -33.000 1.00 37.56 ? 273 LEU B CG 1 ATOM 6303 C CD1 . LEU B 1 275 ? -21.330 14.947 -31.823 1.00 35.11 ? 273 LEU B CD1 1 ATOM 6304 C CD2 . LEU B 1 275 ? -22.463 15.001 -34.065 1.00 16.74 ? 273 LEU B CD2 1 ATOM 6305 N N . LEU B 1 276 ? -18.752 11.228 -34.625 1.00 30.17 ? 274 LEU B N 1 ATOM 6306 C CA . LEU B 1 276 ? -17.388 10.901 -35.028 1.00 38.58 ? 274 LEU B CA 1 ATOM 6307 C C . LEU B 1 276 ? -17.325 9.998 -36.278 1.00 42.67 ? 274 LEU B C 1 ATOM 6308 O O . LEU B 1 276 ? -16.244 9.767 -36.819 1.00 40.82 ? 274 LEU B O 1 ATOM 6309 C CB . LEU B 1 276 ? -16.608 10.297 -33.855 1.00 33.39 ? 274 LEU B CB 1 ATOM 6310 C CG . LEU B 1 276 ? -16.529 11.256 -32.658 1.00 36.94 ? 274 LEU B CG 1 ATOM 6311 C CD1 . LEU B 1 276 ? -15.765 10.636 -31.502 1.00 26.77 ? 274 LEU B CD1 1 ATOM 6312 C CD2 . LEU B 1 276 ? -15.922 12.590 -33.063 1.00 21.64 ? 274 LEU B CD2 1 ATOM 6313 N N . ASN B 1 277 ? -18.475 9.507 -36.747 1.00 32.63 ? 275 ASN B N 1 ATOM 6314 C CA . ASN B 1 277 ? -18.489 8.771 -38.002 1.00 31.97 ? 275 ASN B CA 1 ATOM 6315 C C . ASN B 1 277 ? -18.937 9.574 -39.216 1.00 37.44 ? 275 ASN B C 1 ATOM 6316 O O . ASN B 1 277 ? -18.810 9.096 -40.345 1.00 40.65 ? 275 ASN B O 1 ATOM 6317 C CB . ASN B 1 277 ? -19.266 7.459 -37.887 1.00 30.91 ? 275 ASN B CB 1 ATOM 6318 C CG . ASN B 1 277 ? -18.477 6.386 -37.144 1.00 43.77 ? 275 ASN B CG 1 ATOM 6319 O OD1 . ASN B 1 277 ? -17.527 5.810 -37.680 1.00 40.45 ? 275 ASN B OD1 1 ATOM 6320 N ND2 . ASN B 1 277 ? -18.865 6.122 -35.901 1.00 41.70 ? 275 ASN B ND2 1 ATOM 6321 N N . GLU B 1 278 ? -19.428 10.795 -38.987 1.00 33.05 ? 276 GLU B N 1 ATOM 6322 C CA . GLU B 1 278 ? -19.904 11.640 -40.085 1.00 32.99 ? 276 GLU B CA 1 ATOM 6323 C C . GLU B 1 278 ? -18.810 11.942 -41.115 1.00 34.36 ? 276 GLU B C 1 ATOM 6324 O O . GLU B 1 278 ? -19.078 11.989 -42.304 1.00 42.72 ? 276 GLU B O 1 ATOM 6325 C CB . GLU B 1 278 ? -20.532 12.928 -39.555 1.00 38.32 ? 276 GLU B CB 1 ATOM 6326 C CG . GLU B 1 278 ? -21.891 12.733 -38.879 1.00 47.48 ? 276 GLU B CG 1 ATOM 6327 C CD . GLU B 1 278 ? -22.439 14.013 -38.230 1.00 54.79 ? 276 GLU B CD 1 ATOM 6328 O OE1 . GLU B 1 278 ? -21.679 14.990 -38.034 1.00 53.14 ? 276 GLU B OE1 1 ATOM 6329 O OE2 . GLU B 1 278 ? -23.645 14.039 -37.910 1.00 59.79 ? 276 GLU B OE2 1 ATOM 6330 N N . ALA B 1 279 ? -17.578 12.109 -40.641 1.00 33.25 ? 277 ALA B N 1 ATOM 6331 C CA . ALA B 1 279 ? -16.416 12.432 -41.473 1.00 26.67 ? 277 ALA B CA 1 ATOM 6332 C C . ALA B 1 279 ? -16.080 11.395 -42.512 1.00 39.27 ? 277 ALA B C 1 ATOM 6333 O O . ALA B 1 279 ? -15.356 11.691 -43.454 1.00 52.86 ? 277 ALA B O 1 ATOM 6334 C CB . ALA B 1 279 ? -15.176 12.657 -40.590 1.00 27.22 ? 277 ALA B CB 1 ATOM 6335 N N . PHE B 1 280 ? -16.575 10.174 -42.335 1.00 39.95 ? 278 PHE B N 1 ATOM 6336 C CA . PHE B 1 280 ? -16.144 9.074 -43.189 1.00 40.12 ? 278 PHE B CA 1 ATOM 6337 C C . PHE B 1 280 ? -17.141 8.683 -44.265 1.00 41.16 ? 278 PHE B C 1 ATOM 6338 O O . PHE B 1 280 ? -16.851 7.818 -45.084 1.00 49.98 ? 278 PHE B O 1 ATOM 6339 C CB . PHE B 1 280 ? -15.802 7.845 -42.348 1.00 31.14 ? 278 PHE B CB 1 ATOM 6340 C CG . PHE B 1 280 ? -14.734 8.091 -41.351 1.00 40.64 ? 278 PHE B CG 1 ATOM 6341 C CD1 . PHE B 1 280 ? -13.455 8.433 -41.765 1.00 45.73 ? 278 PHE B CD1 1 ATOM 6342 C CD2 . PHE B 1 280 ? -14.996 7.980 -39.995 1.00 41.88 ? 278 PHE B CD2 1 ATOM 6343 C CE1 . PHE B 1 280 ? -12.452 8.663 -40.843 1.00 49.07 ? 278 PHE B CE1 1 ATOM 6344 C CE2 . PHE B 1 280 ? -14.006 8.205 -39.075 1.00 43.32 ? 278 PHE B CE2 1 ATOM 6345 C CZ . PHE B 1 280 ? -12.726 8.552 -39.497 1.00 46.54 ? 278 PHE B CZ 1 ATOM 6346 N N . VAL B 1 281 ? -18.308 9.312 -44.272 1.00 39.12 ? 279 VAL B N 1 ATOM 6347 C CA . VAL B 1 281 ? -19.375 8.852 -45.146 1.00 43.49 ? 279 VAL B CA 1 ATOM 6348 C C . VAL B 1 281 ? -19.194 9.244 -46.620 1.00 45.96 ? 279 VAL B C 1 ATOM 6349 O O . VAL B 1 281 ? -19.636 8.514 -47.506 1.00 48.38 ? 279 VAL B O 1 ATOM 6350 C CB . VAL B 1 281 ? -20.758 9.282 -44.625 1.00 41.59 ? 279 VAL B CB 1 ATOM 6351 C CG1 . VAL B 1 281 ? -20.936 8.825 -43.186 1.00 40.33 ? 279 VAL B CG1 1 ATOM 6352 C CG2 . VAL B 1 281 ? -20.920 10.769 -44.743 1.00 29.21 ? 279 VAL B CG2 1 ATOM 6353 N N . VAL B 1 282 ? -18.540 10.375 -46.879 1.00 52.47 ? 280 VAL B N 1 ATOM 6354 C CA . VAL B 1 282 ? -18.256 10.802 -48.252 1.00 64.35 ? 280 VAL B CA 1 ATOM 6355 C C . VAL B 1 282 ? -16.798 10.504 -48.615 1.00 76.64 ? 280 VAL B C 1 ATOM 6356 O O . VAL B 1 282 ? -15.889 11.165 -48.112 1.00 74.59 ? 280 VAL B O 1 ATOM 6357 C CB . VAL B 1 282 ? -18.607 12.301 -48.483 1.00 78.06 ? 280 VAL B CB 1 ATOM 6358 C CG1 . VAL B 1 282 ? -18.175 13.132 -47.317 1.00 76.20 ? 280 VAL B CG1 1 ATOM 6359 C CG2 . VAL B 1 282 ? -17.989 12.829 -49.783 1.00 82.82 ? 280 VAL B CG2 1 ATOM 6360 N N . PRO B 1 283 ? -16.581 9.496 -49.489 1.00 85.96 ? 281 PRO B N 1 ATOM 6361 C CA . PRO B 1 283 ? -15.278 8.895 -49.836 1.00 81.46 ? 281 PRO B CA 1 ATOM 6362 C C . PRO B 1 283 ? -14.144 9.880 -50.166 1.00 81.60 ? 281 PRO B C 1 ATOM 6363 O O . PRO B 1 283 ? -13.010 9.638 -49.752 1.00 86.22 ? 281 PRO B O 1 ATOM 6364 C CB . PRO B 1 283 ? -15.600 8.009 -51.052 1.00 79.10 ? 281 PRO B CB 1 ATOM 6365 C CG . PRO B 1 283 ? -16.967 8.426 -51.508 1.00 84.51 ? 281 PRO B CG 1 ATOM 6366 C CD . PRO B 1 283 ? -17.673 8.899 -50.276 1.00 87.55 ? 281 PRO B CD 1 ATOM 6367 N N . TYR B 1 284 ? -14.425 10.957 -50.893 1.00 71.95 ? 282 TYR B N 1 ATOM 6368 C CA . TYR B 1 284 ? -13.392 11.958 -51.157 1.00 74.36 ? 282 TYR B CA 1 ATOM 6369 C C . TYR B 1 284 ? -13.901 13.368 -50.892 1.00 77.16 ? 282 TYR B C 1 ATOM 6370 O O . TYR B 1 284 ? -14.013 14.184 -51.803 1.00 79.76 ? 282 TYR B O 1 ATOM 6371 C CB . TYR B 1 284 ? -12.849 11.845 -52.585 1.00 70.93 ? 282 TYR B CB 1 ATOM 6372 C CG . TYR B 1 284 ? -11.954 10.646 -52.799 0.49 72.29 ? 282 TYR B CG 1 ATOM 6373 C CD1 . TYR B 1 284 ? -10.645 10.640 -52.335 0.86 71.87 ? 282 TYR B CD1 1 ATOM 6374 C CD2 . TYR B 1 284 ? -12.419 9.518 -53.468 0.77 70.60 ? 282 TYR B CD2 1 ATOM 6375 C CE1 . TYR B 1 284 ? -9.826 9.543 -52.530 0.69 77.29 ? 282 TYR B CE1 1 ATOM 6376 C CE2 . TYR B 1 284 ? -11.611 8.424 -53.665 0.88 74.73 ? 282 TYR B CE2 1 ATOM 6377 C CZ . TYR B 1 284 ? -10.317 8.436 -53.196 0.79 79.42 ? 282 TYR B CZ 1 ATOM 6378 O OH . TYR B 1 284 ? -9.517 7.333 -53.396 0.79 84.44 ? 282 TYR B OH 1 ATOM 6379 N N . GLY B 1 285 ? -14.208 13.647 -49.635 1.00 72.42 ? 283 GLY B N 1 ATOM 6380 C CA . GLY B 1 285 ? -14.708 14.950 -49.268 1.00 75.16 ? 283 GLY B CA 1 ATOM 6381 C C . GLY B 1 285 ? -13.653 16.022 -49.431 1.00 72.72 ? 283 GLY B C 1 ATOM 6382 O O . GLY B 1 285 ? -12.476 15.732 -49.648 1.00 77.25 ? 283 GLY B O 1 ATOM 6383 N N . THR B 1 286 ? -14.094 17.269 -49.331 1.00 59.94 ? 284 THR B N 1 ATOM 6384 C CA . THR B 1 286 ? -13.218 18.427 -49.409 1.00 52.57 ? 284 THR B CA 1 ATOM 6385 C C . THR B 1 286 ? -13.364 19.180 -48.095 1.00 51.00 ? 284 THR B C 1 ATOM 6386 O O . THR B 1 286 ? -14.214 18.828 -47.272 1.00 54.55 ? 284 THR B O 1 ATOM 6387 C CB . THR B 1 286 ? -13.636 19.340 -50.580 1.00 54.89 ? 284 THR B CB 1 ATOM 6388 O OG1 . THR B 1 286 ? -14.885 19.982 -50.275 1.00 52.82 ? 284 THR B OG1 1 ATOM 6389 C CG2 . THR B 1 286 ? -13.781 18.531 -51.863 1.00 49.31 ? 284 THR B CG2 1 ATOM 6390 N N . PRO B 1 287 ? -12.537 20.213 -47.871 1.00 46.75 ? 285 PRO B N 1 ATOM 6391 C CA . PRO B 1 287 ? -12.772 21.030 -46.668 1.00 37.71 ? 285 PRO B CA 1 ATOM 6392 C C . PRO B 1 287 ? -14.130 21.753 -46.697 1.00 41.53 ? 285 PRO B C 1 ATOM 6393 O O . PRO B 1 287 ? -14.568 22.283 -45.674 1.00 45.80 ? 285 PRO B O 1 ATOM 6394 C CB . PRO B 1 287 ? -11.614 22.036 -46.703 1.00 34.80 ? 285 PRO B CB 1 ATOM 6395 C CG . PRO B 1 287 ? -10.531 21.331 -47.461 1.00 34.79 ? 285 PRO B CG 1 ATOM 6396 C CD . PRO B 1 287 ? -11.236 20.507 -48.500 1.00 39.46 ? 285 PRO B CD 1 ATOM 6397 N N . LEU B 1 288 ? -14.771 21.754 -47.867 1.00 44.73 ? 286 LEU B N 1 ATOM 6398 C CA . LEU B 1 288 ? -16.098 22.317 -48.067 1.00 51.73 ? 286 LEU B CA 1 ATOM 6399 C C . LEU B 1 288 ? -17.186 21.268 -48.162 1.00 74.76 ? 286 LEU B C 1 ATOM 6400 O O . LEU B 1 288 ? -18.339 21.605 -48.446 1.00 81.57 ? 286 LEU B O 1 ATOM 6401 C CB . LEU B 1 288 ? -16.125 23.118 -49.362 1.00 48.25 ? 286 LEU B CB 1 ATOM 6402 C CG . LEU B 1 288 ? -15.524 24.498 -49.190 1.00 53.31 ? 286 LEU B CG 1 ATOM 6403 C CD1 . LEU B 1 288 ? -14.499 24.745 -50.257 1.00 59.55 ? 286 LEU B CD1 1 ATOM 6404 C CD2 . LEU B 1 288 ? -16.642 25.509 -49.223 1.00 47.74 ? 286 LEU B CD2 1 ATOM 6405 N N . SER B 1 289 ? -16.827 20.001 -47.963 1.00 77.61 ? 287 SER B N 1 ATOM 6406 C CA . SER B 1 289 ? -17.811 18.931 -48.084 1.00 67.39 ? 287 SER B CA 1 ATOM 6407 C C . SER B 1 289 ? -18.796 18.992 -46.928 1.00 48.40 ? 287 SER B C 1 ATOM 6408 O O . SER B 1 289 ? -18.424 19.138 -45.752 1.00 39.84 ? 287 SER B O 1 ATOM 6409 C CB . SER B 1 289 ? -17.164 17.535 -48.206 1.00 71.39 ? 287 SER B CB 1 ATOM 6410 O OG . SER B 1 289 ? -17.123 17.085 -49.561 1.00 60.27 ? 287 SER B OG 1 ATOM 6411 N N . VAL B 1 290 ? -20.061 18.917 -47.310 1.00 41.07 ? 288 VAL B N 1 ATOM 6412 C CA . VAL B 1 290 ? -21.188 18.912 -46.407 1.00 38.15 ? 288 VAL B CA 1 ATOM 6413 C C . VAL B 1 290 ? -21.680 17.458 -46.335 1.00 41.05 ? 288 VAL B C 1 ATOM 6414 O O . VAL B 1 290 ? -22.292 16.952 -47.277 1.00 39.45 ? 288 VAL B O 1 ATOM 6415 C CB . VAL B 1 290 ? -22.273 19.892 -46.936 1.00 31.65 ? 288 VAL B CB 1 ATOM 6416 C CG1 . VAL B 1 290 ? -23.603 19.742 -46.202 1.00 24.42 ? 288 VAL B CG1 1 ATOM 6417 C CG2 . VAL B 1 290 ? -21.755 21.328 -46.841 1.00 33.04 ? 288 VAL B CG2 1 ATOM 6418 N N . ASN B 1 291 ? -21.377 16.790 -45.221 1.00 37.85 ? 289 ASN B N 1 ATOM 6419 C CA . ASN B 1 291 ? -21.615 15.353 -45.067 1.00 40.79 ? 289 ASN B CA 1 ATOM 6420 C C . ASN B 1 291 ? -23.082 14.984 -45.117 1.00 38.40 ? 289 ASN B C 1 ATOM 6421 O O . ASN B 1 291 ? -23.476 14.051 -45.827 1.00 43.00 ? 289 ASN B O 1 ATOM 6422 C CB . ASN B 1 291 ? -21.027 14.852 -43.753 1.00 44.91 ? 289 ASN B CB 1 ATOM 6423 C CG . ASN B 1 291 ? -19.516 14.895 -43.739 1.00 46.63 ? 289 ASN B CG 1 ATOM 6424 O OD1 . ASN B 1 291 ? -18.873 14.597 -44.744 1.00 48.40 ? 289 ASN B OD1 1 ATOM 6425 N ND2 . ASN B 1 291 ? -18.940 15.250 -42.590 1.00 33.33 ? 289 ASN B ND2 1 ATOM 6426 N N . PHE B 1 292 ? -23.874 15.714 -44.336 1.00 32.51 ? 290 PHE B N 1 ATOM 6427 C CA . PHE B 1 292 ? -25.315 15.550 -44.307 1.00 33.71 ? 290 PHE B CA 1 ATOM 6428 C C . PHE B 1 292 ? -25.979 16.921 -44.412 1.00 38.37 ? 290 PHE B C 1 ATOM 6429 O O . PHE B 1 292 ? -25.901 17.724 -43.483 1.00 43.85 ? 290 PHE B O 1 ATOM 6430 C CB . PHE B 1 292 ? -25.759 14.826 -43.030 1.00 36.29 ? 290 PHE B CB 1 ATOM 6431 C CG . PHE B 1 292 ? -25.361 13.371 -42.984 1.00 37.50 ? 290 PHE B CG 1 ATOM 6432 C CD1 . PHE B 1 292 ? -26.165 12.398 -43.565 1.00 34.09 ? 290 PHE B CD1 1 ATOM 6433 C CD2 . PHE B 1 292 ? -24.181 12.973 -42.355 1.00 33.49 ? 290 PHE B CD2 1 ATOM 6434 C CE1 . PHE B 1 292 ? -25.804 11.049 -43.520 1.00 28.71 ? 290 PHE B CE1 1 ATOM 6435 C CE2 . PHE B 1 292 ? -23.812 11.636 -42.319 1.00 31.55 ? 290 PHE B CE2 1 ATOM 6436 C CZ . PHE B 1 292 ? -24.628 10.672 -42.897 1.00 30.32 ? 290 PHE B CZ 1 ATOM 6437 N N . GLY B 1 293 ? -26.622 17.186 -45.550 1.00 31.98 ? 291 GLY B N 1 ATOM 6438 C CA . GLY B 1 293 ? -27.308 18.449 -45.761 1.00 31.90 ? 291 GLY B CA 1 ATOM 6439 C C . GLY B 1 293 ? -28.675 18.319 -46.407 1.00 32.62 ? 291 GLY B C 1 ATOM 6440 O O . GLY B 1 293 ? -29.246 17.239 -46.457 1.00 33.34 ? 291 GLY B O 1 ATOM 6441 N N . PRO B 1 294 ? -29.219 19.441 -46.890 1.00 41.35 ? 292 PRO B N 1 ATOM 6442 C CA . PRO B 1 294 ? -30.511 19.477 -47.583 1.00 35.46 ? 292 PRO B CA 1 ATOM 6443 C C . PRO B 1 294 ? -30.604 18.473 -48.708 1.00 32.21 ? 292 PRO B C 1 ATOM 6444 O O . PRO B 1 294 ? -29.623 18.226 -49.411 1.00 34.41 ? 292 PRO B O 1 ATOM 6445 C CB . PRO B 1 294 ? -30.534 20.880 -48.174 1.00 29.51 ? 292 PRO B CB 1 ATOM 6446 C CG . PRO B 1 294 ? -29.775 21.681 -47.177 1.00 30.82 ? 292 PRO B CG 1 ATOM 6447 C CD . PRO B 1 294 ? -28.661 20.793 -46.711 1.00 32.68 ? 292 PRO B CD 1 ATOM 6448 N N . THR B 1 295 ? -31.777 17.888 -48.875 1.00 28.97 ? 293 THR B N 1 ATOM 6449 C CA . THR B 1 295 ? -32.025 17.059 -50.046 1.00 43.45 ? 293 THR B CA 1 ATOM 6450 C C . THR B 1 295 ? -33.432 17.306 -50.539 1.00 43.44 ? 293 THR B C 1 ATOM 6451 O O . THR B 1 295 ? -34.224 17.980 -49.870 1.00 45.34 ? 293 THR B O 1 ATOM 6452 C CB . THR B 1 295 ? -31.834 15.514 -49.791 1.00 53.98 ? 293 THR B CB 1 ATOM 6453 O OG1 . THR B 1 295 ? -32.690 15.070 -48.731 1.00 47.15 ? 293 THR B OG1 1 ATOM 6454 C CG2 . THR B 1 295 ? -30.403 15.184 -49.441 1.00 58.56 ? 293 THR B CG2 1 ATOM 6455 N N . VAL B 1 296 ? -33.737 16.766 -51.714 1.00 40.91 ? 294 VAL B N 1 ATOM 6456 C CA . VAL B 1 296 ? -35.105 16.772 -52.219 1.00 56.41 ? 294 VAL B CA 1 ATOM 6457 C C . VAL B 1 296 ? -35.902 15.670 -51.521 1.00 54.53 ? 294 VAL B C 1 ATOM 6458 O O . VAL B 1 296 ? -35.782 14.501 -51.861 1.00 57.30 ? 294 VAL B O 1 ATOM 6459 C CB . VAL B 1 296 ? -35.135 16.562 -53.749 1.00 64.09 ? 294 VAL B CB 1 ATOM 6460 C CG1 . VAL B 1 296 ? -36.571 16.452 -54.257 1.00 58.76 ? 294 VAL B CG1 1 ATOM 6461 C CG2 . VAL B 1 296 ? -34.396 17.700 -54.443 1.00 62.45 ? 294 VAL B CG2 1 ATOM 6462 N N . ASP B 1 297 ? -36.706 16.045 -50.535 1.00 52.03 ? 295 ASP B N 1 ATOM 6463 C CA . ASP B 1 297 ? -37.415 15.062 -49.725 1.00 52.93 ? 295 ASP B CA 1 ATOM 6464 C C . ASP B 1 297 ? -38.823 14.789 -50.247 1.00 58.93 ? 295 ASP B C 1 ATOM 6465 O O . ASP B 1 297 ? -39.447 13.797 -49.884 1.00 63.00 ? 295 ASP B O 1 ATOM 6466 C CB . ASP B 1 297 ? -37.470 15.520 -48.265 1.00 50.53 ? 295 ASP B CB 1 ATOM 6467 C CG . ASP B 1 297 ? -38.135 16.877 -48.097 1.00 49.22 ? 295 ASP B CG 1 ATOM 6468 O OD1 . ASP B 1 297 ? -38.192 17.645 -49.073 1.00 57.05 ? 295 ASP B OD1 1 ATOM 6469 O OD2 . ASP B 1 297 ? -38.591 17.183 -46.984 1.00 41.40 ? 295 ASP B OD2 1 ATOM 6470 N N . GLY B 1 298 ? -39.317 15.677 -51.101 1.00 57.63 ? 296 GLY B N 1 ATOM 6471 C CA . GLY B 1 298 ? -40.681 15.589 -51.582 1.00 62.33 ? 296 GLY B CA 1 ATOM 6472 C C . GLY B 1 298 ? -41.676 16.165 -50.590 1.00 68.63 ? 296 GLY B C 1 ATOM 6473 O O . GLY B 1 298 ? -42.889 15.982 -50.733 1.00 74.04 ? 296 GLY B O 1 ATOM 6474 N N . ASP B 1 299 ? -41.154 16.868 -49.587 1.00 63.12 ? 297 ASP B N 1 ATOM 6475 C CA . ASP B 1 299 ? -41.967 17.440 -48.518 1.00 59.84 ? 297 ASP B CA 1 ATOM 6476 C C . ASP B 1 299 ? -41.623 18.913 -48.411 1.00 54.72 ? 297 ASP B C 1 ATOM 6477 O O . ASP B 1 299 ? -42.358 19.765 -48.896 1.00 54.76 ? 297 ASP B O 1 ATOM 6478 C CB . ASP B 1 299 ? -41.666 16.732 -47.190 1.00 59.48 ? 297 ASP B CB 1 ATOM 6479 C CG . ASP B 1 299 ? -42.730 16.975 -46.136 1.00 64.92 ? 297 ASP B CG 1 ATOM 6480 O OD1 . ASP B 1 299 ? -43.588 17.856 -46.339 1.00 65.38 ? 297 ASP B OD1 1 ATOM 6481 O OD2 . ASP B 1 299 ? -42.700 16.288 -45.091 1.00 68.08 ? 297 ASP B OD2 1 ATOM 6482 N N . PHE B 1 300 ? -40.486 19.202 -47.783 1.00 54.49 ? 298 PHE B N 1 ATOM 6483 C CA . PHE B 1 300 ? -39.973 20.565 -47.691 1.00 53.61 ? 298 PHE B CA 1 ATOM 6484 C C . PHE B 1 300 ? -39.578 21.078 -49.065 1.00 55.09 ? 298 PHE B C 1 ATOM 6485 O O . PHE B 1 300 ? -39.949 22.182 -49.452 1.00 60.82 ? 298 PHE B O 1 ATOM 6486 C CB . PHE B 1 300 ? -38.759 20.621 -46.764 1.00 54.30 ? 298 PHE B CB 1 ATOM 6487 C CG . PHE B 1 300 ? -38.327 22.015 -46.427 1.00 57.60 ? 298 PHE B CG 1 ATOM 6488 C CD1 . PHE B 1 300 ? -38.900 22.693 -45.368 1.00 56.38 ? 298 PHE B CD1 1 ATOM 6489 C CD2 . PHE B 1 300 ? -37.358 22.654 -47.173 1.00 59.18 ? 298 PHE B CD2 1 ATOM 6490 C CE1 . PHE B 1 300 ? -38.509 23.979 -45.060 1.00 45.52 ? 298 PHE B CE1 1 ATOM 6491 C CE2 . PHE B 1 300 ? -36.971 23.942 -46.866 1.00 56.58 ? 298 PHE B CE2 1 ATOM 6492 C CZ . PHE B 1 300 ? -37.547 24.602 -45.809 1.00 45.70 ? 298 PHE B CZ 1 ATOM 6493 N N . LEU B 1 301 ? -38.799 20.274 -49.782 1.00 55.50 ? 299 LEU B N 1 ATOM 6494 C CA . LEU B 1 301 ? -38.428 20.569 -51.162 1.00 57.79 ? 299 LEU B CA 1 ATOM 6495 C C . LEU B 1 301 ? -39.212 19.664 -52.094 1.00 63.14 ? 299 LEU B C 1 ATOM 6496 O O . LEU B 1 301 ? -38.852 18.503 -52.290 1.00 58.11 ? 299 LEU B O 1 ATOM 6497 C CB . LEU B 1 301 ? -36.939 20.328 -51.388 1.00 51.50 ? 299 LEU B CB 1 ATOM 6498 C CG . LEU B 1 301 ? -36.039 21.547 -51.299 1.00 49.86 ? 299 LEU B CG 1 ATOM 6499 C CD1 . LEU B 1 301 ? -34.615 21.161 -51.680 1.00 45.50 ? 299 LEU B CD1 1 ATOM 6500 C CD2 . LEU B 1 301 ? -36.572 22.652 -52.193 1.00 45.70 ? 299 LEU B CD2 1 ATOM 6501 N N . THR B 1 302 ? -40.272 20.206 -52.682 1.00 70.12 ? 300 THR B N 1 ATOM 6502 C CA . THR B 1 302 ? -41.183 19.411 -53.502 1.00 75.17 ? 300 THR B CA 1 ATOM 6503 C C . THR B 1 302 ? -40.546 18.922 -54.810 1.00 72.57 ? 300 THR B C 1 ATOM 6504 O O . THR B 1 302 ? -41.094 18.055 -55.486 1.00 74.71 ? 300 THR B O 1 ATOM 6505 C CB . THR B 1 302 ? -42.508 20.181 -53.779 1.00 72.87 ? 300 THR B CB 1 ATOM 6506 O OG1 . THR B 1 302 ? -42.222 21.461 -54.360 1.00 69.16 ? 300 THR B OG1 1 ATOM 6507 C CG2 . THR B 1 302 ? -43.284 20.396 -52.478 1.00 69.31 ? 300 THR B CG2 1 ATOM 6508 N N . ASP B 1 303 ? -39.379 19.468 -55.143 1.00 70.42 ? 301 ASP B N 1 ATOM 6509 C CA . ASP B 1 303 ? -38.693 19.153 -56.394 1.00 74.14 ? 301 ASP B CA 1 ATOM 6510 C C . ASP B 1 303 ? -37.265 19.686 -56.320 1.00 62.22 ? 301 ASP B C 1 ATOM 6511 O O . ASP B 1 303 ? -36.921 20.388 -55.376 1.00 63.97 ? 301 ASP B O 1 ATOM 6512 C CB . ASP B 1 303 ? -39.429 19.801 -57.568 1.00 88.32 ? 301 ASP B CB 1 ATOM 6513 C CG . ASP B 1 303 ? -39.322 18.992 -58.853 1.00 97.37 ? 301 ASP B CG 1 ATOM 6514 O OD1 . ASP B 1 303 ? -38.224 18.463 -59.144 1.00 99.19 ? 301 ASP B OD1 1 ATOM 6515 O OD2 . ASP B 1 303 ? -40.346 18.890 -59.569 1.00 94.98 ? 301 ASP B OD2 1 ATOM 6516 N N . MET B 1 304 ? -36.438 19.354 -57.304 1.00 57.32 ? 302 MET B N 1 ATOM 6517 C CA . MET B 1 304 ? -35.057 19.834 -57.340 1.00 60.92 ? 302 MET B CA 1 ATOM 6518 C C . MET B 1 304 ? -35.069 21.365 -57.465 1.00 64.19 ? 302 MET B C 1 ATOM 6519 O O . MET B 1 304 ? -35.782 21.919 -58.304 1.00 68.43 ? 302 MET B O 1 ATOM 6520 C CB . MET B 1 304 ? -34.285 19.168 -58.496 1.00 63.36 ? 302 MET B CB 1 ATOM 6521 C CG . MET B 1 304 ? -32.763 19.161 -58.350 1.00 60.80 ? 302 MET B CG 1 ATOM 6522 S SD . MET B 1 304 ? -32.111 17.721 -57.468 1.00 176.08 ? 302 MET B SD 1 ATOM 6523 C CE . MET B 1 304 ? -30.443 18.254 -57.071 1.00 57.60 ? 302 MET B CE 1 ATOM 6524 N N . PRO B 1 305 ? -34.300 22.053 -56.605 1.00 62.72 ? 303 PRO B N 1 ATOM 6525 C CA . PRO B 1 305 ? -34.334 23.515 -56.452 1.00 62.56 ? 303 PRO B CA 1 ATOM 6526 C C . PRO B 1 305 ? -34.110 24.321 -57.732 1.00 55.19 ? 303 PRO B C 1 ATOM 6527 O O . PRO B 1 305 ? -34.846 25.270 -57.985 1.00 52.12 ? 303 PRO B O 1 ATOM 6528 C CB . PRO B 1 305 ? -33.198 23.784 -55.459 1.00 63.87 ? 303 PRO B CB 1 ATOM 6529 C CG . PRO B 1 305 ? -33.111 22.542 -54.658 1.00 63.29 ? 303 PRO B CG 1 ATOM 6530 C CD . PRO B 1 305 ? -33.390 21.429 -55.630 1.00 64.46 ? 303 PRO B CD 1 ATOM 6531 N N . ASP B 1 306 ? -33.107 23.952 -58.519 1.00 56.45 ? 304 ASP B N 1 ATOM 6532 C CA . ASP B 1 306 ? -32.775 24.690 -59.734 1.00 59.17 ? 304 ASP B CA 1 ATOM 6533 C C . ASP B 1 306 ? -33.940 24.675 -60.723 1.00 62.08 ? 304 ASP B C 1 ATOM 6534 O O . ASP B 1 306 ? -34.101 25.594 -61.525 1.00 66.14 ? 304 ASP B O 1 ATOM 6535 C CB . ASP B 1 306 ? -31.507 24.116 -60.361 1.00 69.49 ? 304 ASP B CB 1 ATOM 6536 C CG . ASP B 1 306 ? -30.346 24.048 -59.367 1.00 88.83 ? 304 ASP B CG 1 ATOM 6537 O OD1 . ASP B 1 306 ? -30.380 23.180 -58.457 1.00 94.93 ? 304 ASP B OD1 1 ATOM 6538 O OD2 . ASP B 1 306 ? -29.401 24.861 -59.491 1.00 89.90 ? 304 ASP B OD2 1 ATOM 6539 N N . ILE B 1 307 ? -34.760 23.634 -60.637 1.00 61.40 ? 305 ILE B N 1 ATOM 6540 C CA . ILE B 1 307 ? -35.939 23.492 -61.482 1.00 64.29 ? 305 ILE B CA 1 ATOM 6541 C C . ILE B 1 307 ? -37.088 24.369 -60.997 1.00 66.17 ? 305 ILE B C 1 ATOM 6542 O O . ILE B 1 307 ? -37.751 25.025 -61.797 1.00 80.96 ? 305 ILE B O 1 ATOM 6543 C CB . ILE B 1 307 ? -36.402 22.010 -61.560 1.00 74.86 ? 305 ILE B CB 1 ATOM 6544 C CG1 . ILE B 1 307 ? -35.459 21.202 -62.458 1.00 66.97 ? 305 ILE B CG1 1 ATOM 6545 C CG2 . ILE B 1 307 ? -37.839 21.906 -62.059 1.00 73.42 ? 305 ILE B CG2 1 ATOM 6546 C CD1 . ILE B 1 307 ? -35.930 19.796 -62.723 1.00 64.25 ? 305 ILE B CD1 1 ATOM 6547 N N . LEU B 1 308 ? -37.318 24.375 -59.688 1.00 57.47 ? 306 LEU B N 1 ATOM 6548 C CA . LEU B 1 308 ? -38.344 25.221 -59.080 1.00 56.39 ? 306 LEU B CA 1 ATOM 6549 C C . LEU B 1 308 ? -38.091 26.685 -59.407 1.00 60.18 ? 306 LEU B C 1 ATOM 6550 O O . LEU B 1 308 ? -39.010 27.421 -59.775 1.00 66.30 ? 306 LEU B O 1 ATOM 6551 C CB . LEU B 1 308 ? -38.338 25.047 -57.562 1.00 59.49 ? 306 LEU B CB 1 ATOM 6552 C CG . LEU B 1 308 ? -39.501 24.355 -56.845 1.00 57.50 ? 306 LEU B CG 1 ATOM 6553 C CD1 . LEU B 1 308 ? -40.145 23.305 -57.718 1.00 54.41 ? 306 LEU B CD1 1 ATOM 6554 C CD2 . LEU B 1 308 ? -38.996 23.734 -55.550 1.00 51.85 ? 306 LEU B CD2 1 ATOM 6555 N N . LEU B 1 309 ? -36.835 27.097 -59.267 1.00 55.54 ? 307 LEU B N 1 ATOM 6556 C CA . LEU B 1 309 ? -36.427 28.471 -59.534 1.00 62.62 ? 307 LEU B CA 1 ATOM 6557 C C . LEU B 1 309 ? -36.600 28.821 -61.009 1.00 76.70 ? 307 LEU B C 1 ATOM 6558 O O . LEU B 1 309 ? -37.114 29.889 -61.354 1.00 78.60 ? 307 LEU B O 1 ATOM 6559 C CB . LEU B 1 309 ? -34.967 28.661 -59.127 1.00 60.84 ? 307 LEU B CB 1 ATOM 6560 C CG . LEU B 1 309 ? -34.294 29.994 -59.437 1.00 59.64 ? 307 LEU B CG 1 ATOM 6561 C CD1 . LEU B 1 309 ? -34.954 31.105 -58.642 1.00 65.04 ? 307 LEU B CD1 1 ATOM 6562 C CD2 . LEU B 1 309 ? -32.802 29.915 -59.136 1.00 53.42 ? 307 LEU B CD2 1 ATOM 6563 N N . GLU B 1 310 ? -36.161 27.910 -61.872 1.00 78.17 ? 308 GLU B N 1 ATOM 6564 C CA . GLU B 1 310 ? -36.242 28.107 -63.304 1.00 79.46 ? 308 GLU B CA 1 ATOM 6565 C C . GLU B 1 310 ? -37.697 28.216 -63.748 1.00 86.64 ? 308 GLU B C 1 ATOM 6566 O O . GLU B 1 310 ? -38.036 29.042 -64.593 1.00 90.26 ? 308 GLU B O 1 ATOM 6567 C CB . GLU B 1 310 ? -35.543 26.961 -64.031 1.00 81.25 ? 308 GLU B CB 1 ATOM 6568 C CG . GLU B 1 310 ? -35.447 27.163 -65.528 1.00 95.46 ? 308 GLU B CG 1 ATOM 6569 C CD . GLU B 1 310 ? -34.707 28.440 -65.898 1.00 108.04 ? 308 GLU B CD 1 ATOM 6570 O OE1 . GLU B 1 310 ? -33.787 28.837 -65.146 1.00 109.73 ? 308 GLU B OE1 1 ATOM 6571 O OE2 . GLU B 1 310 ? -35.045 29.047 -66.942 1.00 111.41 ? 308 GLU B OE2 1 ATOM 6572 N N . LEU B 1 311 ? -38.556 27.390 -63.159 1.00 82.61 ? 309 LEU B N 1 ATOM 6573 C CA . LEU B 1 311 ? -39.969 27.353 -63.523 1.00 77.77 ? 309 LEU B CA 1 ATOM 6574 C C . LEU B 1 311 ? -40.749 28.532 -62.943 1.00 80.71 ? 309 LEU B C 1 ATOM 6575 O O . LEU B 1 311 ? -41.759 28.951 -63.508 1.00 90.87 ? 309 LEU B O 1 ATOM 6576 C CB . LEU B 1 311 ? -40.599 26.028 -63.091 1.00 75.87 ? 309 LEU B CB 1 ATOM 6577 C CG . LEU B 1 311 ? -40.616 24.879 -64.110 1.00 82.29 ? 309 LEU B CG 1 ATOM 6578 C CD1 . LEU B 1 311 ? -39.360 24.859 -64.983 1.00 86.08 ? 309 LEU B CD1 1 ATOM 6579 C CD2 . LEU B 1 311 ? -40.798 23.536 -63.406 1.00 74.73 ? 309 LEU B CD2 1 ATOM 6580 N N . GLY B 1 312 ? -40.284 29.059 -61.814 1.00 74.62 ? 310 GLY B N 1 ATOM 6581 C CA . GLY B 1 312 ? -40.846 30.278 -61.255 1.00 71.38 ? 310 GLY B CA 1 ATOM 6582 C C . GLY B 1 312 ? -41.700 30.138 -60.006 1.00 70.29 ? 310 GLY B C 1 ATOM 6583 O O . GLY B 1 312 ? -42.347 31.104 -59.586 1.00 67.81 ? 310 GLY B O 1 ATOM 6584 N N . GLN B 1 313 ? -41.707 28.951 -59.405 1.00 68.67 ? 311 GLN B N 1 ATOM 6585 C CA . GLN B 1 313 ? -42.501 28.723 -58.199 1.00 71.97 ? 311 GLN B CA 1 ATOM 6586 C C . GLN B 1 313 ? -41.708 28.928 -56.917 1.00 66.55 ? 311 GLN B C 1 ATOM 6587 O O . GLN B 1 313 ? -41.135 27.994 -56.352 1.00 63.18 ? 311 GLN B O 1 ATOM 6588 C CB . GLN B 1 313 ? -43.149 27.339 -58.204 1.00 77.76 ? 311 GLN B CB 1 ATOM 6589 C CG . GLN B 1 313 ? -42.346 26.279 -58.918 1.00 82.78 ? 311 GLN B CG 1 ATOM 6590 C CD . GLN B 1 313 ? -43.000 25.856 -60.215 1.00 94.82 ? 311 GLN B CD 1 ATOM 6591 O OE1 . GLN B 1 313 ? -43.582 26.676 -60.927 1.00 100.44 ? 311 GLN B OE1 1 ATOM 6592 N NE2 . GLN B 1 313 ? -42.926 24.566 -60.521 1.00 99.41 ? 311 GLN B NE2 1 ATOM 6593 N N . PHE B 1 314 ? -41.686 30.169 -56.464 1.00 68.05 ? 312 PHE B N 1 ATOM 6594 C CA . PHE B 1 314 ? -41.060 30.503 -55.202 1.00 66.66 ? 312 PHE B CA 1 ATOM 6595 C C . PHE B 1 314 ? -41.692 31.794 -54.735 1.00 65.06 ? 312 PHE B C 1 ATOM 6596 O O . PHE B 1 314 ? -42.427 32.436 -55.482 1.00 66.66 ? 312 PHE B O 1 ATOM 6597 C CB . PHE B 1 314 ? -39.545 30.656 -55.359 1.00 56.77 ? 312 PHE B CB 1 ATOM 6598 C CG . PHE B 1 314 ? -39.141 31.584 -56.469 1.00 58.73 ? 312 PHE B CG 1 ATOM 6599 C CD1 . PHE B 1 314 ? -39.116 32.958 -56.273 1.00 55.73 ? 312 PHE B CD1 1 ATOM 6600 C CD2 . PHE B 1 314 ? -38.769 31.085 -57.705 1.00 64.91 ? 312 PHE B CD2 1 ATOM 6601 C CE1 . PHE B 1 314 ? -38.742 33.815 -57.294 1.00 55.92 ? 312 PHE B CE1 1 ATOM 6602 C CE2 . PHE B 1 314 ? -38.390 31.942 -58.735 1.00 68.52 ? 312 PHE B CE2 1 ATOM 6603 C CZ . PHE B 1 314 ? -38.376 33.309 -58.525 1.00 60.32 ? 312 PHE B CZ 1 ATOM 6604 N N . LYS B 1 315 ? -41.406 32.165 -53.498 1.00 62.69 ? 313 LYS B N 1 ATOM 6605 C CA . LYS B 1 315 ? -41.994 33.345 -52.903 1.00 62.22 ? 313 LYS B CA 1 ATOM 6606 C C . LYS B 1 315 ? -41.529 34.563 -53.688 1.00 72.18 ? 313 LYS B C 1 ATOM 6607 O O . LYS B 1 315 ? -40.325 34.773 -53.858 1.00 73.06 ? 313 LYS B O 1 ATOM 6608 C CB . LYS B 1 315 ? -41.560 33.455 -51.440 1.00 51.50 ? 313 LYS B CB 1 ATOM 6609 C CG . LYS B 1 315 ? -42.594 34.046 -50.510 1.00 50.01 ? 313 LYS B CG 1 ATOM 6610 C CD . LYS B 1 315 ? -41.951 34.994 -49.508 1.00 46.95 ? 313 LYS B CD 1 ATOM 6611 C CE . LYS B 1 315 ? -42.833 35.199 -48.299 1.00 49.44 ? 313 LYS B CE 1 ATOM 6612 N NZ . LYS B 1 315 ? -44.281 35.269 -48.649 1.00 56.65 ? 313 LYS B NZ 1 ATOM 6613 N N . LYS B 1 316 ? -42.491 35.342 -54.185 1.00 74.90 ? 314 LYS B N 1 ATOM 6614 C CA . LYS B 1 316 ? -42.212 36.607 -54.865 1.00 67.94 ? 314 LYS B CA 1 ATOM 6615 C C . LYS B 1 316 ? -42.107 37.741 -53.850 1.00 67.67 ? 314 LYS B C 1 ATOM 6616 O O . LYS B 1 316 ? -43.116 38.208 -53.318 1.00 78.71 ? 314 LYS B O 1 ATOM 6617 C CB . LYS B 1 316 ? -43.302 36.933 -55.897 1.00 61.35 ? 314 LYS B CB 1 ATOM 6618 C CG . LYS B 1 316 ? -43.479 35.874 -56.977 1.00 64.58 ? 314 LYS B CG 1 ATOM 6619 C CD . LYS B 1 316 ? -42.190 35.659 -57.762 1.00 64.54 ? 314 LYS B CD 1 ATOM 6620 C CE . LYS B 1 316 ? -42.103 34.244 -58.311 1.00 66.03 ? 314 LYS B CE 1 ATOM 6621 N NZ . LYS B 1 316 ? -43.312 33.896 -59.109 1.00 71.33 ? 314 LYS B NZ 1 ATOM 6622 N N . THR B 1 317 ? -40.883 38.184 -53.591 1.00 55.58 ? 315 THR B N 1 ATOM 6623 C CA . THR B 1 317 ? -40.637 39.237 -52.616 1.00 53.32 ? 315 THR B CA 1 ATOM 6624 C C . THR B 1 317 ? -39.308 39.915 -52.927 1.00 54.88 ? 315 THR B C 1 ATOM 6625 O O . THR B 1 317 ? -38.737 39.687 -53.993 1.00 57.95 ? 315 THR B O 1 ATOM 6626 C CB . THR B 1 317 ? -40.627 38.674 -51.190 1.00 59.92 ? 315 THR B CB 1 ATOM 6627 O OG1 . THR B 1 317 ? -40.439 39.745 -50.255 1.00 66.30 ? 315 THR B OG1 1 ATOM 6628 C CG2 . THR B 1 317 ? -39.504 37.617 -51.023 1.00 50.49 ? 315 THR B CG2 1 ATOM 6629 N N . GLN B 1 318 ? -38.815 40.744 -52.012 1.00 45.55 ? 316 GLN B N 1 ATOM 6630 C CA . GLN B 1 318 ? -37.559 41.456 -52.234 1.00 49.46 ? 316 GLN B CA 1 ATOM 6631 C C . GLN B 1 318 ? -36.419 40.778 -51.482 1.00 55.42 ? 316 GLN B C 1 ATOM 6632 O O . GLN B 1 318 ? -36.603 40.320 -50.352 1.00 63.66 ? 316 GLN B O 1 ATOM 6633 C CB . GLN B 1 318 ? -37.672 42.911 -51.783 1.00 55.59 ? 316 GLN B CB 1 ATOM 6634 C CG . GLN B 1 318 ? -38.847 43.664 -52.360 1.00 68.21 ? 316 GLN B CG 1 ATOM 6635 C CD . GLN B 1 318 ? -40.146 43.384 -51.629 1.00 72.51 ? 316 GLN B CD 1 ATOM 6636 O OE1 . GLN B 1 318 ? -40.194 43.404 -50.404 1.00 65.16 ? 316 GLN B OE1 1 ATOM 6637 N NE2 . GLN B 1 318 ? -41.206 43.108 -52.383 1.00 81.04 ? 316 GLN B NE2 1 ATOM 6638 N N . ILE B 1 319 ? -35.242 40.707 -52.099 1.00 52.78 ? 317 ILE B N 1 ATOM 6639 C CA . ILE B 1 319 ? -34.088 40.097 -51.435 1.00 52.97 ? 317 ILE B CA 1 ATOM 6640 C C . ILE B 1 319 ? -32.874 41.008 -51.369 1.00 49.39 ? 317 ILE B C 1 ATOM 6641 O O . ILE B 1 319 ? -32.767 41.985 -52.093 1.00 54.83 ? 317 ILE B O 1 ATOM 6642 C CB . ILE B 1 319 ? -33.630 38.791 -52.108 1.00 51.35 ? 317 ILE B CB 1 ATOM 6643 C CG1 . ILE B 1 319 ? -33.321 39.041 -53.575 1.00 53.70 ? 317 ILE B CG1 1 ATOM 6644 C CG2 . ILE B 1 319 ? -34.682 37.723 -51.974 1.00 53.75 ? 317 ILE B CG2 1 ATOM 6645 C CD1 . ILE B 1 319 ? -32.656 37.886 -54.239 1.00 55.05 ? 317 ILE B CD1 1 ATOM 6646 N N . LEU B 1 320 ? -31.954 40.654 -50.488 1.00 45.17 ? 318 LEU B N 1 ATOM 6647 C CA . LEU B 1 320 ? -30.703 41.365 -50.339 1.00 45.60 ? 318 LEU B CA 1 ATOM 6648 C C . LEU B 1 320 ? -29.663 40.264 -50.259 1.00 42.52 ? 318 LEU B C 1 ATOM 6649 O O . LEU B 1 320 ? -29.697 39.441 -49.342 1.00 42.43 ? 318 LEU B O 1 ATOM 6650 C CB . LEU B 1 320 ? -30.730 42.186 -49.046 1.00 52.12 ? 318 LEU B CB 1 ATOM 6651 C CG . LEU B 1 320 ? -29.753 43.344 -48.826 1.00 53.63 ? 318 LEU B CG 1 ATOM 6652 C CD1 . LEU B 1 320 ? -30.113 44.053 -47.542 1.00 61.29 ? 318 LEU B CD1 1 ATOM 6653 C CD2 . LEU B 1 320 ? -28.320 42.869 -48.751 1.00 52.48 ? 318 LEU B CD2 1 ATOM 6654 N N . VAL B 1 321 ? -28.759 40.231 -51.232 1.00 46.11 ? 319 VAL B N 1 ATOM 6655 C CA . VAL B 1 321 ? -27.791 39.142 -51.350 1.00 47.52 ? 319 VAL B CA 1 ATOM 6656 C C . VAL B 1 321 ? -26.380 39.711 -51.390 1.00 44.90 ? 319 VAL B C 1 ATOM 6657 O O . VAL B 1 321 ? -26.184 40.828 -51.850 1.00 46.85 ? 319 VAL B O 1 ATOM 6658 C CB . VAL B 1 321 ? -28.034 38.332 -52.648 1.00 41.65 ? 319 VAL B CB 1 ATOM 6659 C CG1 . VAL B 1 321 ? -27.123 37.093 -52.711 1.00 39.37 ? 319 VAL B CG1 1 ATOM 6660 C CG2 . VAL B 1 321 ? -29.484 37.921 -52.748 1.00 39.25 ? 319 VAL B CG2 1 ATOM 6661 N N . GLY B 1 322 ? -25.392 38.955 -50.921 1.00 35.74 ? 320 GLY B N 1 ATOM 6662 C CA . GLY B 1 322 ? -24.017 39.398 -51.058 1.00 33.93 ? 320 GLY B CA 1 ATOM 6663 C C . GLY B 1 322 ? -22.936 38.432 -50.615 1.00 44.22 ? 320 GLY B C 1 ATOM 6664 O O . GLY B 1 322 ? -23.195 37.313 -50.135 1.00 35.88 ? 320 GLY B O 1 ATOM 6665 N N . VAL B 1 323 ? -21.697 38.874 -50.799 1.00 43.71 ? 321 VAL B N 1 ATOM 6666 C CA . VAL B 1 323 ? -20.538 38.032 -50.577 1.00 35.37 ? 321 VAL B CA 1 ATOM 6667 C C . VAL B 1 323 ? -19.375 38.871 -50.072 1.00 39.58 ? 321 VAL B C 1 ATOM 6668 O O . VAL B 1 323 ? -19.343 40.100 -50.226 1.00 39.68 ? 321 VAL B O 1 ATOM 6669 C CB . VAL B 1 323 ? -20.111 37.313 -51.873 1.00 41.72 ? 321 VAL B CB 1 ATOM 6670 C CG1 . VAL B 1 323 ? -21.169 36.267 -52.335 1.00 29.95 ? 321 VAL B CG1 1 ATOM 6671 C CG2 . VAL B 1 323 ? -19.814 38.319 -52.964 1.00 38.88 ? 321 VAL B CG2 1 ATOM 6672 N N . ASN B 1 324 ? -18.423 38.202 -49.442 1.00 39.91 ? 322 ASN B N 1 ATOM 6673 C CA . ASN B 1 324 ? -17.210 38.860 -48.984 1.00 33.30 ? 322 ASN B CA 1 ATOM 6674 C C . ASN B 1 324 ? -16.153 38.762 -50.067 1.00 36.41 ? 322 ASN B C 1 ATOM 6675 O O . ASN B 1 324 ? -16.188 37.851 -50.900 1.00 41.44 ? 322 ASN B O 1 ATOM 6676 C CB . ASN B 1 324 ? -16.714 38.197 -47.703 1.00 29.29 ? 322 ASN B CB 1 ATOM 6677 C CG . ASN B 1 324 ? -17.631 38.445 -46.531 1.00 36.94 ? 322 ASN B CG 1 ATOM 6678 O OD1 . ASN B 1 324 ? -18.685 39.074 -46.669 1.00 42.60 ? 322 ASN B OD1 1 ATOM 6679 N ND2 . ASN B 1 324 ? -17.237 37.955 -45.361 1.00 35.00 ? 322 ASN B ND2 1 ATOM 6680 N N . LYS B 1 325 ? -15.208 39.690 -50.061 1.00 33.03 ? 323 LYS B N 1 ATOM 6681 C CA . LYS B 1 325 ? -14.151 39.681 -51.067 1.00 38.11 ? 323 LYS B CA 1 ATOM 6682 C C . LYS B 1 325 ? -13.338 38.375 -51.104 1.00 39.10 ? 323 LYS B C 1 ATOM 6683 O O . LYS B 1 325 ? -13.022 37.873 -52.186 1.00 42.35 ? 323 LYS B O 1 ATOM 6684 C CB . LYS B 1 325 ? -13.227 40.873 -50.867 1.00 43.51 ? 323 LYS B CB 1 ATOM 6685 C CG . LYS B 1 325 ? -12.107 40.982 -51.878 1.00 40.56 ? 323 LYS B CG 1 ATOM 6686 C CD . LYS B 1 325 ? -11.233 42.174 -51.548 1.00 47.77 ? 323 LYS B CD 1 ATOM 6687 C CE . LYS B 1 325 ? -10.090 42.320 -52.520 1.00 61.51 ? 323 LYS B CE 1 ATOM 6688 N NZ . LYS B 1 325 ? -9.297 43.541 -52.202 1.00 77.67 ? 323 LYS B NZ 1 ATOM 6689 N N . ASP B 1 326 ? -13.009 37.814 -49.941 1.00 38.25 ? 324 ASP B N 1 ATOM 6690 C CA . ASP B 1 326 ? -12.164 36.608 -49.906 1.00 42.05 ? 324 ASP B CA 1 ATOM 6691 C C . ASP B 1 326 ? -12.824 35.376 -49.280 1.00 32.26 ? 324 ASP B C 1 ATOM 6692 O O . ASP B 1 326 ? -12.351 34.858 -48.279 1.00 37.37 ? 324 ASP B O 1 ATOM 6693 C CB . ASP B 1 326 ? -10.829 36.905 -49.222 1.00 40.73 ? 324 ASP B CB 1 ATOM 6694 C CG . ASP B 1 326 ? -10.090 38.060 -49.880 1.00 53.08 ? 324 ASP B CG 1 ATOM 6695 O OD1 . ASP B 1 326 ? -9.684 37.918 -51.054 1.00 50.61 ? 324 ASP B OD1 1 ATOM 6696 O OD2 . ASP B 1 326 ? -9.917 39.110 -49.224 1.00 60.24 ? 324 ASP B OD2 1 ATOM 6697 N N . GLU B 1 327 ? -13.906 34.915 -49.895 1.00 27.86 ? 325 GLU B N 1 ATOM 6698 C CA . GLU B 1 327 ? -14.716 33.823 -49.355 1.00 36.73 ? 325 GLU B CA 1 ATOM 6699 C C . GLU B 1 327 ? -13.969 32.494 -49.263 1.00 41.16 ? 325 GLU B C 1 ATOM 6700 O O . GLU B 1 327 ? -14.277 31.642 -48.414 1.00 40.89 ? 325 GLU B O 1 ATOM 6701 C CB . GLU B 1 327 ? -15.981 33.637 -50.211 1.00 34.79 ? 325 GLU B CB 1 ATOM 6702 C CG . GLU B 1 327 ? -16.902 34.856 -50.280 1.00 35.88 ? 325 GLU B CG 1 ATOM 6703 C CD . GLU B 1 327 ? -17.900 34.914 -49.139 1.00 41.08 ? 325 GLU B CD 1 ATOM 6704 O OE1 . GLU B 1 327 ? -17.893 33.995 -48.306 1.00 49.78 ? 325 GLU B OE1 1 ATOM 6705 O OE2 . GLU B 1 327 ? -18.697 35.873 -49.074 1.00 51.36 ? 325 GLU B OE2 1 ATOM 6706 N N . GLY B 1 328 ? -12.995 32.315 -50.147 1.00 37.79 ? 326 GLY B N 1 ATOM 6707 C CA . GLY B 1 328 ? -12.330 31.036 -50.278 1.00 40.10 ? 326 GLY B CA 1 ATOM 6708 C C . GLY B 1 328 ? -11.127 30.788 -49.388 1.00 38.78 ? 326 GLY B C 1 ATOM 6709 O O . GLY B 1 328 ? -10.650 29.666 -49.315 1.00 38.15 ? 326 GLY B O 1 ATOM 6710 N N . THR B 1 329 ? -10.628 31.806 -48.696 1.00 43.20 ? 327 THR B N 1 ATOM 6711 C CA . THR B 1 329 ? -9.346 31.625 -48.007 1.00 45.53 ? 327 THR B CA 1 ATOM 6712 C C . THR B 1 329 ? -9.432 30.760 -46.742 1.00 41.42 ? 327 THR B C 1 ATOM 6713 O O . THR B 1 329 ? -8.531 29.986 -46.470 1.00 48.15 ? 327 THR B O 1 ATOM 6714 C CB . THR B 1 329 ? -8.622 32.968 -47.736 1.00 34.29 ? 327 THR B CB 1 ATOM 6715 O OG1 . THR B 1 329 ? -9.426 33.771 -46.876 1.00 33.29 ? 327 THR B OG1 1 ATOM 6716 C CG2 . THR B 1 329 ? -8.377 33.705 -49.046 1.00 26.22 ? 327 THR B CG2 1 ATOM 6717 N N . ALA B 1 330 ? -10.523 30.881 -45.993 1.00 43.73 ? 328 ALA B N 1 ATOM 6718 C CA . ALA B 1 330 ? -10.738 30.090 -44.779 1.00 43.46 ? 328 ALA B CA 1 ATOM 6719 C C . ALA B 1 330 ? -10.478 28.584 -44.946 1.00 44.97 ? 328 ALA B C 1 ATOM 6720 O O . ALA B 1 330 ? -9.932 27.936 -44.047 1.00 50.42 ? 328 ALA B O 1 ATOM 6721 C CB . ALA B 1 330 ? -12.144 30.322 -44.240 1.00 40.72 ? 328 ALA B CB 1 ATOM 6722 N N . PHE B 1 331 ? -10.848 28.035 -46.098 1.00 35.47 ? 329 PHE B N 1 ATOM 6723 C CA . PHE B 1 331 ? -10.764 26.584 -46.316 1.00 32.96 ? 329 PHE B CA 1 ATOM 6724 C C . PHE B 1 331 ? -9.379 26.090 -46.724 1.00 38.83 ? 329 PHE B C 1 ATOM 6725 O O . PHE B 1 331 ? -9.086 24.905 -46.604 1.00 39.66 ? 329 PHE B O 1 ATOM 6726 C CB . PHE B 1 331 ? -11.824 26.132 -47.320 1.00 29.93 ? 329 PHE B CB 1 ATOM 6727 C CG . PHE B 1 331 ? -13.180 26.721 -47.048 1.00 35.64 ? 329 PHE B CG 1 ATOM 6728 C CD1 . PHE B 1 331 ? -14.055 26.101 -46.180 1.00 34.84 ? 329 PHE B CD1 1 ATOM 6729 C CD2 . PHE B 1 331 ? -13.556 27.927 -47.624 1.00 35.80 ? 329 PHE B CD2 1 ATOM 6730 C CE1 . PHE B 1 331 ? -15.297 26.661 -45.907 1.00 42.17 ? 329 PHE B CE1 1 ATOM 6731 C CE2 . PHE B 1 331 ? -14.795 28.488 -47.354 1.00 40.13 ? 329 PHE B CE2 1 ATOM 6732 C CZ . PHE B 1 331 ? -15.662 27.860 -46.488 1.00 33.91 ? 329 PHE B CZ 1 ATOM 6733 N N . LEU B 1 332 ? -8.520 26.997 -47.181 1.00 38.95 ? 330 LEU B N 1 ATOM 6734 C CA . LEU B 1 332 ? -7.199 26.594 -47.648 1.00 39.71 ? 330 LEU B CA 1 ATOM 6735 C C . LEU B 1 332 ? -6.320 26.011 -46.526 1.00 44.61 ? 330 LEU B C 1 ATOM 6736 O O . LEU B 1 332 ? -5.538 25.089 -46.765 1.00 41.68 ? 330 LEU B O 1 ATOM 6737 C CB . LEU B 1 332 ? -6.494 27.759 -48.344 1.00 25.79 ? 330 LEU B CB 1 ATOM 6738 C CG . LEU B 1 332 ? -7.317 28.451 -49.441 1.00 30.03 ? 330 LEU B CG 1 ATOM 6739 C CD1 . LEU B 1 332 ? -6.512 29.545 -50.153 1.00 36.84 ? 330 LEU B CD1 1 ATOM 6740 C CD2 . LEU B 1 332 ? -7.827 27.467 -50.442 1.00 29.07 ? 330 LEU B CD2 1 ATOM 6741 N N . VAL B 1 333 ? -6.453 26.554 -45.315 1.00 38.28 ? 331 VAL B N 1 ATOM 6742 C CA . VAL B 1 333 ? -5.682 26.094 -44.167 1.00 40.07 ? 331 VAL B CA 1 ATOM 6743 C C . VAL B 1 333 ? -6.232 24.795 -43.570 1.00 45.53 ? 331 VAL B C 1 ATOM 6744 O O . VAL B 1 333 ? -5.640 24.240 -42.651 1.00 51.13 ? 331 VAL B O 1 ATOM 6745 C CB . VAL B 1 333 ? -5.576 27.170 -43.042 1.00 38.64 ? 331 VAL B CB 1 ATOM 6746 C CG1 . VAL B 1 333 ? -4.618 28.265 -43.444 1.00 42.86 ? 331 VAL B CG1 1 ATOM 6747 C CG2 . VAL B 1 333 ? -6.941 27.747 -42.697 1.00 33.48 ? 331 VAL B CG2 1 ATOM 6748 N N . TYR B 1 334 ? -7.358 24.320 -44.095 1.00 47.15 ? 332 TYR B N 1 ATOM 6749 C CA . TYR B 1 334 ? -7.900 23.018 -43.705 1.00 47.43 ? 332 TYR B CA 1 ATOM 6750 C C . TYR B 1 334 ? -7.585 21.914 -44.700 1.00 50.01 ? 332 TYR B C 1 ATOM 6751 O O . TYR B 1 334 ? -8.424 21.055 -44.962 1.00 51.67 ? 332 TYR B O 1 ATOM 6752 C CB . TYR B 1 334 ? -9.411 23.096 -43.445 1.00 39.85 ? 332 TYR B CB 1 ATOM 6753 C CG . TYR B 1 334 ? -9.705 23.882 -42.197 1.00 37.19 ? 332 TYR B CG 1 ATOM 6754 C CD1 . TYR B 1 334 ? -9.804 25.269 -42.239 1.00 37.56 ? 332 TYR B CD1 1 ATOM 6755 C CD2 . TYR B 1 334 ? -9.831 23.246 -40.966 1.00 21.12 ? 332 TYR B CD2 1 ATOM 6756 C CE1 . TYR B 1 334 ? -10.042 26.009 -41.086 1.00 36.78 ? 332 TYR B CE1 1 ATOM 6757 C CE2 . TYR B 1 334 ? -10.064 23.981 -39.801 1.00 32.23 ? 332 TYR B CE2 1 ATOM 6758 C CZ . TYR B 1 334 ? -10.170 25.362 -39.870 1.00 37.61 ? 332 TYR B CZ 1 ATOM 6759 O OH . TYR B 1 334 ? -10.409 26.103 -38.728 1.00 38.29 ? 332 TYR B OH 1 ATOM 6760 N N . GLY B 1 335 ? -6.380 21.939 -45.262 1.00 53.77 ? 333 GLY B N 1 ATOM 6761 C CA . GLY B 1 335 ? -5.924 20.813 -46.052 1.00 60.52 ? 333 GLY B CA 1 ATOM 6762 C C . GLY B 1 335 ? -5.366 21.072 -47.437 1.00 62.73 ? 333 GLY B C 1 ATOM 6763 O O . GLY B 1 335 ? -5.091 20.134 -48.184 1.00 72.17 ? 333 GLY B O 1 ATOM 6764 N N . ALA B 1 336 ? -5.199 22.330 -47.808 1.00 48.07 ? 334 ALA B N 1 ATOM 6765 C CA . ALA B 1 336 ? -4.523 22.608 -49.058 1.00 48.68 ? 334 ALA B CA 1 ATOM 6766 C C . ALA B 1 336 ? -3.025 22.693 -48.756 1.00 53.75 ? 334 ALA B C 1 ATOM 6767 O O . ALA B 1 336 ? -2.612 23.485 -47.911 1.00 56.58 ? 334 ALA B O 1 ATOM 6768 C CB . ALA B 1 336 ? -5.043 23.895 -49.674 1.00 44.35 ? 334 ALA B CB 1 ATOM 6769 N N . PRO B 1 337 ? -2.210 21.854 -49.419 1.00 54.87 ? 335 PRO B N 1 ATOM 6770 C CA . PRO B 1 337 ? -0.764 21.827 -49.148 1.00 56.88 ? 335 PRO B CA 1 ATOM 6771 C C . PRO B 1 337 ? -0.045 23.142 -49.463 1.00 54.16 ? 335 PRO B C 1 ATOM 6772 O O . PRO B 1 337 ? -0.311 23.787 -50.478 1.00 52.45 ? 335 PRO B O 1 ATOM 6773 C CB . PRO B 1 337 ? -0.246 20.679 -50.039 1.00 46.32 ? 335 PRO B CB 1 ATOM 6774 C CG . PRO B 1 337 ? -1.333 20.431 -51.027 1.00 51.58 ? 335 PRO B CG 1 ATOM 6775 C CD . PRO B 1 337 ? -2.611 20.772 -50.330 1.00 50.34 ? 335 PRO B CD 1 ATOM 6776 N N . GLY B 1 338 ? 0.863 23.522 -48.572 1.00 53.56 ? 336 GLY B N 1 ATOM 6777 C CA . GLY B 1 338 ? 1.604 24.761 -48.699 1.00 56.42 ? 336 GLY B CA 1 ATOM 6778 C C . GLY B 1 338 ? 1.005 25.855 -47.832 1.00 54.96 ? 336 GLY B C 1 ATOM 6779 O O . GLY B 1 338 ? 1.635 26.887 -47.590 1.00 55.92 ? 336 GLY B O 1 ATOM 6780 N N . PHE B 1 339 ? -0.209 25.623 -47.343 1.00 45.53 ? 337 PHE B N 1 ATOM 6781 C CA . PHE B 1 339 ? -0.933 26.670 -46.635 1.00 46.75 ? 337 PHE B CA 1 ATOM 6782 C C . PHE B 1 339 ? -0.796 26.544 -45.131 1.00 53.55 ? 337 PHE B C 1 ATOM 6783 O O . PHE B 1 339 ? -0.530 25.462 -44.608 1.00 65.33 ? 337 PHE B O 1 ATOM 6784 C CB . PHE B 1 339 ? -2.404 26.693 -47.060 1.00 45.68 ? 337 PHE B CB 1 ATOM 6785 C CG . PHE B 1 339 ? -2.618 27.212 -48.460 1.00 47.82 ? 337 PHE B CG 1 ATOM 6786 C CD1 . PHE B 1 339 ? -2.525 26.363 -49.554 1.00 46.63 ? 337 PHE B CD1 1 ATOM 6787 C CD2 . PHE B 1 339 ? -2.882 28.558 -48.683 1.00 46.54 ? 337 PHE B CD2 1 ATOM 6788 C CE1 . PHE B 1 339 ? -2.710 26.849 -50.848 1.00 51.02 ? 337 PHE B CE1 1 ATOM 6789 C CE2 . PHE B 1 339 ? -3.069 29.048 -49.973 1.00 46.22 ? 337 PHE B CE2 1 ATOM 6790 C CZ . PHE B 1 339 ? -2.984 28.193 -51.057 1.00 44.22 ? 337 PHE B CZ 1 ATOM 6791 N N . SER B 1 340 ? -0.971 27.664 -44.443 1.00 51.03 ? 338 SER B N 1 ATOM 6792 C CA . SER B 1 340 ? -0.848 27.707 -42.991 1.00 50.65 ? 338 SER B CA 1 ATOM 6793 C C . SER B 1 340 ? -1.223 29.084 -42.480 1.00 50.09 ? 338 SER B C 1 ATOM 6794 O O . SER B 1 340 ? -0.904 30.098 -43.105 1.00 49.22 ? 338 SER B O 1 ATOM 6795 C CB . SER B 1 340 ? 0.581 27.392 -42.570 1.00 53.94 ? 338 SER B CB 1 ATOM 6796 O OG . SER B 1 340 ? 0.869 27.988 -41.331 1.00 54.78 ? 338 SER B OG 1 ATOM 6797 N N . LYS B 1 341 ? -1.896 29.126 -41.339 1.00 46.82 ? 339 LYS B N 1 ATOM 6798 C CA . LYS B 1 341 ? -2.285 30.399 -40.759 1.00 42.43 ? 339 LYS B CA 1 ATOM 6799 C C . LYS B 1 341 ? -1.083 31.031 -40.069 1.00 49.07 ? 339 LYS B C 1 ATOM 6800 O O . LYS B 1 341 ? -1.143 32.172 -39.616 1.00 51.82 ? 339 LYS B O 1 ATOM 6801 C CB . LYS B 1 341 ? -3.446 30.220 -39.777 1.00 36.92 ? 339 LYS B CB 1 ATOM 6802 C CG . LYS B 1 341 ? -3.054 29.617 -38.442 1.00 41.28 ? 339 LYS B CG 1 ATOM 6803 C CD . LYS B 1 341 ? -4.251 29.593 -37.490 1.00 50.15 ? 339 LYS B CD 1 ATOM 6804 C CE . LYS B 1 341 ? -3.880 29.052 -36.127 1.00 41.49 ? 339 LYS B CE 1 ATOM 6805 N NZ . LYS B 1 341 ? -2.619 29.664 -35.613 1.00 46.82 ? 339 LYS B NZ 1 ATOM 6806 N N . ASP B 1 342 ? 0.018 30.288 -40.018 1.00 49.42 ? 340 ASP B N 1 ATOM 6807 C CA . ASP B 1 342 ? 1.224 30.723 -39.308 1.00 54.38 ? 340 ASP B CA 1 ATOM 6808 C C . ASP B 1 342 ? 2.351 31.229 -40.216 1.00 56.71 ? 340 ASP B C 1 ATOM 6809 O O . ASP B 1 342 ? 3.376 31.703 -39.723 1.00 58.47 ? 340 ASP B O 1 ATOM 6810 C CB . ASP B 1 342 ? 1.743 29.593 -38.410 1.00 55.36 ? 340 ASP B CB 1 ATOM 6811 C CG . ASP B 1 342 ? 0.762 29.232 -37.302 1.00 57.84 ? 340 ASP B CG 1 ATOM 6812 O OD1 . ASP B 1 342 ? 0.161 30.157 -36.712 1.00 53.54 ? 340 ASP B OD1 1 ATOM 6813 O OD2 . ASP B 1 342 ? 0.579 28.026 -37.030 1.00 60.87 ? 340 ASP B OD2 1 ATOM 6814 N N . ASN B 1 343 ? 2.180 31.104 -41.531 1.00 51.42 ? 341 ASN B N 1 ATOM 6815 C CA . ASN B 1 343 ? 3.105 31.727 -42.474 1.00 48.43 ? 341 ASN B CA 1 ATOM 6816 C C . ASN B 1 343 ? 2.376 32.353 -43.665 1.00 51.26 ? 341 ASN B C 1 ATOM 6817 O O . ASN B 1 343 ? 1.148 32.335 -43.721 1.00 54.99 ? 341 ASN B O 1 ATOM 6818 C CB . ASN B 1 343 ? 4.251 30.778 -42.895 1.00 50.02 ? 341 ASN B CB 1 ATOM 6819 C CG . ASN B 1 343 ? 3.780 29.548 -43.675 1.00 59.28 ? 341 ASN B CG 1 ATOM 6820 O OD1 . ASN B 1 343 ? 3.011 29.660 -44.629 1.00 56.02 ? 341 ASN B OD1 1 ATOM 6821 N ND2 . ASN B 1 343 ? 4.280 28.363 -43.271 1.00 73.12 ? 341 ASN B ND2 1 ATOM 6822 N N . ASN B 1 344 ? 3.135 32.911 -44.602 1.00 49.39 ? 342 ASN B N 1 ATOM 6823 C CA . ASN B 1 344 ? 2.569 33.653 -45.722 1.00 54.27 ? 342 ASN B CA 1 ATOM 6824 C C . ASN B 1 344 ? 1.951 32.756 -46.790 1.00 54.50 ? 342 ASN B C 1 ATOM 6825 O O . ASN B 1 344 ? 1.232 33.231 -47.668 1.00 57.30 ? 342 ASN B O 1 ATOM 6826 C CB . ASN B 1 344 ? 3.629 34.567 -46.351 1.00 66.57 ? 342 ASN B CB 1 ATOM 6827 C CG . ASN B 1 344 ? 4.846 33.797 -46.852 1.00 79.89 ? 342 ASN B CG 1 ATOM 6828 O OD1 . ASN B 1 344 ? 4.895 32.566 -46.776 1.00 83.25 ? 342 ASN B OD1 1 ATOM 6829 N ND2 . ASN B 1 344 ? 5.833 34.521 -47.375 1.00 85.55 ? 342 ASN B ND2 1 ATOM 6830 N N . SER B 1 345 ? 2.257 31.466 -46.714 1.00 58.05 ? 343 SER B N 1 ATOM 6831 C CA . SER B 1 345 ? 1.647 30.457 -47.576 1.00 59.80 ? 343 SER B CA 1 ATOM 6832 C C . SER B 1 345 ? 1.854 30.729 -49.055 1.00 63.31 ? 343 SER B C 1 ATOM 6833 O O . SER B 1 345 ? 0.948 30.529 -49.866 1.00 65.65 ? 343 SER B O 1 ATOM 6834 C CB . SER B 1 345 ? 0.154 30.315 -47.279 1.00 57.02 ? 343 SER B CB 1 ATOM 6835 O OG . SER B 1 345 ? -0.060 30.009 -45.916 1.00 57.02 ? 343 SER B OG 1 ATOM 6836 N N . ILE B 1 346 ? 3.046 31.191 -49.404 1.00 61.81 ? 344 ILE B N 1 ATOM 6837 C CA . ILE B 1 346 ? 3.410 31.310 -50.803 1.00 55.54 ? 344 ILE B CA 1 ATOM 6838 C C . ILE B 1 346 ? 3.596 29.914 -51.376 1.00 63.85 ? 344 ILE B C 1 ATOM 6839 O O . ILE B 1 346 ? 4.469 29.172 -50.932 1.00 71.87 ? 344 ILE B O 1 ATOM 6840 C CB . ILE B 1 346 ? 4.712 32.076 -50.970 1.00 52.52 ? 344 ILE B CB 1 ATOM 6841 C CG1 . ILE B 1 346 ? 4.548 33.507 -50.469 1.00 51.87 ? 344 ILE B CG1 1 ATOM 6842 C CG2 . ILE B 1 346 ? 5.136 32.071 -52.427 1.00 55.01 ? 344 ILE B CG2 1 ATOM 6843 C CD1 . ILE B 1 346 ? 3.710 34.367 -51.378 1.00 56.12 ? 344 ILE B CD1 1 ATOM 6844 N N . ILE B 1 347 ? 2.769 29.549 -52.349 1.00 62.90 ? 345 ILE B N 1 ATOM 6845 C CA . ILE B 1 347 ? 2.873 28.228 -52.957 1.00 60.92 ? 345 ILE B CA 1 ATOM 6846 C C . ILE B 1 347 ? 3.357 28.278 -54.389 1.00 60.60 ? 345 ILE B C 1 ATOM 6847 O O . ILE B 1 347 ? 3.460 29.358 -54.983 1.00 52.55 ? 345 ILE B O 1 ATOM 6848 C CB . ILE B 1 347 ? 1.539 27.467 -52.949 1.00 52.16 ? 345 ILE B CB 1 ATOM 6849 C CG1 . ILE B 1 347 ? 0.408 28.361 -53.464 1.00 48.37 ? 345 ILE B CG1 1 ATOM 6850 C CG2 . ILE B 1 347 ? 1.255 26.925 -51.569 1.00 40.85 ? 345 ILE B CG2 1 ATOM 6851 C CD1 . ILE B 1 347 ? -0.823 27.584 -53.909 1.00 45.78 ? 345 ILE B CD1 1 ATOM 6852 N N . THR B 1 348 ? 3.636 27.090 -54.928 1.00 59.66 ? 346 THR B N 1 ATOM 6853 C CA . THR B 1 348 ? 4.128 26.928 -56.292 1.00 60.20 ? 346 THR B CA 1 ATOM 6854 C C . THR B 1 348 ? 3.011 26.463 -57.206 1.00 59.78 ? 346 THR B C 1 ATOM 6855 O O . THR B 1 348 ? 1.933 26.091 -56.740 1.00 66.14 ? 346 THR B O 1 ATOM 6856 C CB . THR B 1 348 ? 5.233 25.863 -56.366 1.00 61.62 ? 346 THR B CB 1 ATOM 6857 O OG1 . THR B 1 348 ? 4.718 24.606 -55.893 1.00 65.23 ? 346 THR B OG1 1 ATOM 6858 C CG2 . THR B 1 348 ? 6.440 26.279 -55.534 1.00 53.27 ? 346 THR B CG2 1 ATOM 6859 N N . ARG B 1 349 ? 3.281 26.484 -58.506 1.00 58.01 ? 347 ARG B N 1 ATOM 6860 C CA . ARG B 1 349 ? 2.357 25.949 -59.495 1.00 60.09 ? 347 ARG B CA 1 ATOM 6861 C C . ARG B 1 349 ? 1.912 24.534 -59.124 1.00 69.81 ? 347 ARG B C 1 ATOM 6862 O O . ARG B 1 349 ? 0.729 24.214 -59.198 1.00 78.88 ? 347 ARG B O 1 ATOM 6863 C CB . ARG B 1 349 ? 3.009 25.953 -60.878 1.00 54.01 ? 347 ARG B CB 1 ATOM 6864 C CG . ARG B 1 349 ? 2.120 25.445 -62.021 1.00 59.32 ? 347 ARG B CG 1 ATOM 6865 C CD . ARG B 1 349 ? 2.806 25.684 -63.377 1.00 61.80 ? 347 ARG B CD 1 ATOM 6866 N NE . ARG B 1 349 ? 2.076 25.150 -64.526 1.00 62.53 ? 347 ARG B NE 1 ATOM 6867 C CZ . ARG B 1 349 ? 1.236 25.857 -65.276 1.00 67.29 ? 347 ARG B CZ 1 ATOM 6868 N NH1 . ARG B 1 349 ? 1.001 27.136 -64.993 1.00 69.12 ? 347 ARG B NH1 1 ATOM 6869 N NH2 . ARG B 1 349 ? 0.630 25.288 -66.310 1.00 65.47 ? 347 ARG B NH2 1 ATOM 6870 N N . LYS B 1 350 ? 2.857 23.698 -58.702 1.00 69.34 ? 348 LYS B N 1 ATOM 6871 C CA . LYS B 1 350 ? 2.554 22.303 -58.389 1.00 62.57 ? 348 LYS B CA 1 ATOM 6872 C C . LYS B 1 350 ? 1.725 22.164 -57.106 1.00 58.38 ? 348 LYS B C 1 ATOM 6873 O O . LYS B 1 350 ? 0.846 21.305 -57.024 1.00 59.60 ? 348 LYS B O 1 ATOM 6874 C CB . LYS B 1 350 ? 3.843 21.468 -58.344 1.00 66.90 ? 348 LYS B CB 1 ATOM 6875 C CG . LYS B 1 350 ? 4.142 20.784 -57.017 1.00 83.96 ? 348 LYS B CG 1 ATOM 6876 C CD . LYS B 1 350 ? 3.582 19.369 -56.955 1.00 93.88 ? 348 LYS B CD 1 ATOM 6877 C CE . LYS B 1 350 ? 3.788 18.782 -55.567 1.00 97.78 ? 348 LYS B CE 1 ATOM 6878 N NZ . LYS B 1 350 ? 5.212 18.904 -55.144 1.00 100.42 ? 348 LYS B NZ 1 ATOM 6879 N N . GLU B 1 351 ? 1.995 23.008 -56.113 1.00 48.87 ? 349 GLU B N 1 ATOM 6880 C CA . GLU B 1 351 ? 1.214 22.971 -54.880 1.00 55.73 ? 349 GLU B CA 1 ATOM 6881 C C . GLU B 1 351 ? -0.216 23.424 -55.191 1.00 51.33 ? 349 GLU B C 1 ATOM 6882 O O . GLU B 1 351 ? -1.191 22.872 -54.668 1.00 44.66 ? 349 GLU B O 1 ATOM 6883 C CB . GLU B 1 351 ? 1.849 23.837 -53.782 1.00 63.06 ? 349 GLU B CB 1 ATOM 6884 C CG . GLU B 1 351 ? 3.159 23.283 -53.196 1.00 71.30 ? 349 GLU B CG 1 ATOM 6885 C CD . GLU B 1 351 ? 3.794 24.209 -52.154 1.00 78.36 ? 349 GLU B CD 1 ATOM 6886 O OE1 . GLU B 1 351 ? 4.136 25.362 -52.491 1.00 85.43 ? 349 GLU B OE1 1 ATOM 6887 O OE2 . GLU B 1 351 ? 3.960 23.786 -50.994 1.00 76.28 ? 349 GLU B OE2 1 ATOM 6888 N N . PHE B 1 352 ? -0.324 24.419 -56.066 1.00 43.87 ? 350 PHE B N 1 ATOM 6889 C CA . PHE B 1 352 ? -1.610 24.860 -56.585 1.00 46.10 ? 350 PHE B CA 1 ATOM 6890 C C . PHE B 1 352 ? -2.380 23.744 -57.297 1.00 49.04 ? 350 PHE B C 1 ATOM 6891 O O . PHE B 1 352 ? -3.597 23.649 -57.169 1.00 47.29 ? 350 PHE B O 1 ATOM 6892 C CB . PHE B 1 352 ? -1.421 26.030 -57.546 1.00 52.89 ? 350 PHE B CB 1 ATOM 6893 C CG . PHE B 1 352 ? -2.685 26.468 -58.193 1.00 51.65 ? 350 PHE B CG 1 ATOM 6894 C CD1 . PHE B 1 352 ? -3.487 27.417 -57.590 1.00 56.23 ? 350 PHE B CD1 1 ATOM 6895 C CD2 . PHE B 1 352 ? -3.092 25.916 -59.391 1.00 50.29 ? 350 PHE B CD2 1 ATOM 6896 C CE1 . PHE B 1 352 ? -4.667 27.820 -58.182 1.00 59.23 ? 350 PHE B CE1 1 ATOM 6897 C CE2 . PHE B 1 352 ? -4.272 26.306 -59.975 1.00 53.15 ? 350 PHE B CE2 1 ATOM 6898 C CZ . PHE B 1 352 ? -5.060 27.262 -59.373 1.00 53.20 ? 350 PHE B CZ 1 ATOM 6899 N N . GLN B 1 353 ? -1.674 22.921 -58.068 1.00 53.78 ? 351 GLN B N 1 ATOM 6900 C CA . GLN B 1 353 ? -2.292 21.763 -58.721 1.00 52.62 ? 351 GLN B CA 1 ATOM 6901 C C . GLN B 1 353 ? -2.679 20.676 -57.724 1.00 55.91 ? 351 GLN B C 1 ATOM 6902 O O . GLN B 1 353 ? -3.637 19.934 -57.945 1.00 61.09 ? 351 GLN B O 1 ATOM 6903 C CB . GLN B 1 353 ? -1.369 21.182 -59.787 1.00 48.63 ? 351 GLN B CB 1 ATOM 6904 C CG . GLN B 1 353 ? -1.410 21.934 -61.093 1.00 47.15 ? 351 GLN B CG 1 ATOM 6905 C CD . GLN B 1 353 ? -0.379 21.434 -62.067 1.00 56.42 ? 351 GLN B CD 1 ATOM 6906 O OE1 . GLN B 1 353 ? 0.803 21.330 -61.734 1.00 61.91 ? 351 GLN B OE1 1 ATOM 6907 N NE2 . GLN B 1 353 ? -0.816 21.108 -63.279 1.00 58.95 ? 351 GLN B NE2 1 ATOM 6908 N N . GLU B 1 354 ? -1.928 20.574 -56.634 1.00 52.52 ? 352 GLU B N 1 ATOM 6909 C CA . GLU B 1 354 ? -2.303 19.666 -55.563 1.00 52.28 ? 352 GLU B CA 1 ATOM 6910 C C . GLU B 1 354 ? -3.551 20.184 -54.876 1.00 46.66 ? 352 GLU B C 1 ATOM 6911 O O . GLU B 1 354 ? -4.392 19.393 -54.439 1.00 40.41 ? 352 GLU B O 1 ATOM 6912 C CB . GLU B 1 354 ? -1.174 19.506 -54.545 1.00 58.03 ? 352 GLU B CB 1 ATOM 6913 C CG . GLU B 1 354 ? 0.073 18.846 -55.112 1.00 75.51 ? 352 GLU B CG 1 ATOM 6914 C CD . GLU B 1 354 ? -0.232 17.558 -55.860 1.00 87.71 ? 352 GLU B CD 1 ATOM 6915 O OE1 . GLU B 1 354 ? -1.074 16.766 -55.377 1.00 85.78 ? 352 GLU B OE1 1 ATOM 6916 O OE2 . GLU B 1 354 ? 0.368 17.343 -56.938 1.00 95.01 ? 352 GLU B OE2 1 ATOM 6917 N N . GLY B 1 355 ? -3.657 21.516 -54.788 1.00 43.20 ? 353 GLY B N 1 ATOM 6918 C CA . GLY B 1 355 ? -4.794 22.185 -54.174 1.00 29.70 ? 353 GLY B CA 1 ATOM 6919 C C . GLY B 1 355 ? -6.072 21.844 -54.917 1.00 42.85 ? 353 GLY B C 1 ATOM 6920 O O . GLY B 1 355 ? -7.050 21.388 -54.317 1.00 48.39 ? 353 GLY B O 1 ATOM 6921 N N . LEU B 1 356 ? -6.051 22.043 -56.233 1.00 43.67 ? 354 LEU B N 1 ATOM 6922 C CA . LEU B 1 356 ? -7.178 21.696 -57.092 1.00 44.86 ? 354 LEU B CA 1 ATOM 6923 C C . LEU B 1 356 ? -7.641 20.258 -56.879 1.00 50.42 ? 354 LEU B C 1 ATOM 6924 O O . LEU B 1 356 ? -8.842 19.975 -56.860 1.00 52.87 ? 354 LEU B O 1 ATOM 6925 C CB . LEU B 1 356 ? -6.809 21.897 -58.561 1.00 45.69 ? 354 LEU B CB 1 ATOM 6926 C CG . LEU B 1 356 ? -6.575 23.314 -59.082 1.00 48.32 ? 354 LEU B CG 1 ATOM 6927 C CD1 . LEU B 1 356 ? -6.539 23.296 -60.611 1.00 52.04 ? 354 LEU B CD1 1 ATOM 6928 C CD2 . LEU B 1 356 ? -7.652 24.255 -58.585 1.00 41.18 ? 354 LEU B CD2 1 ATOM 6929 N N . LYS B 1 357 ? -6.678 19.357 -56.714 1.00 53.12 ? 355 LYS B N 1 ATOM 6930 C CA . LYS B 1 357 ? -6.955 17.941 -56.509 1.00 50.70 ? 355 LYS B CA 1 ATOM 6931 C C . LYS B 1 357 ? -7.779 17.725 -55.235 1.00 53.34 ? 355 LYS B C 1 ATOM 6932 O O . LYS B 1 357 ? -8.761 16.979 -55.233 1.00 62.96 ? 355 LYS B O 1 ATOM 6933 C CB . LYS B 1 357 ? -5.639 17.172 -56.441 1.00 50.14 ? 355 LYS B CB 1 ATOM 6934 C CG . LYS B 1 357 ? -5.634 15.846 -57.158 1.00 60.76 ? 355 LYS B CG 1 ATOM 6935 C CD . LYS B 1 357 ? -4.204 15.405 -57.455 1.00 70.83 ? 355 LYS B CD 1 ATOM 6936 C CE . LYS B 1 357 ? -3.553 16.279 -58.529 1.00 74.54 ? 355 LYS B CE 1 ATOM 6937 N NZ . LYS B 1 357 ? -4.005 15.904 -59.904 1.00 73.37 ? 355 LYS B NZ 1 ATOM 6938 N N . ILE B 1 358 ? -7.388 18.404 -54.161 1.00 41.97 ? 356 ILE B N 1 ATOM 6939 C CA . ILE B 1 358 ? -8.119 18.339 -52.897 1.00 36.06 ? 356 ILE B CA 1 ATOM 6940 C C . ILE B 1 358 ? -9.517 18.990 -52.983 1.00 50.86 ? 356 ILE B C 1 ATOM 6941 O O . ILE B 1 358 ? -10.498 18.449 -52.454 1.00 52.73 ? 356 ILE B O 1 ATOM 6942 C CB . ILE B 1 358 ? -7.275 18.956 -51.750 1.00 50.61 ? 356 ILE B CB 1 ATOM 6943 C CG1 . ILE B 1 358 ? -6.383 17.884 -51.123 1.00 51.24 ? 356 ILE B CG1 1 ATOM 6944 C CG2 . ILE B 1 358 ? -8.153 19.607 -50.684 1.00 46.53 ? 356 ILE B CG2 1 ATOM 6945 C CD1 . ILE B 1 358 ? -4.992 18.348 -50.851 1.00 52.27 ? 356 ILE B CD1 1 ATOM 6946 N N . PHE B 1 359 ? -9.621 20.134 -53.662 1.00 40.00 ? 357 PHE B N 1 ATOM 6947 C CA . PHE B 1 359 ? -10.916 20.806 -53.761 1.00 40.63 ? 357 PHE B CA 1 ATOM 6948 C C . PHE B 1 359 ? -11.772 20.262 -54.900 1.00 42.67 ? 357 PHE B C 1 ATOM 6949 O O . PHE B 1 359 ? -12.998 20.389 -54.876 1.00 38.89 ? 357 PHE B O 1 ATOM 6950 C CB . PHE B 1 359 ? -10.773 22.341 -53.827 1.00 43.96 ? 357 PHE B CB 1 ATOM 6951 C CG . PHE B 1 359 ? -10.393 22.969 -52.503 1.00 42.46 ? 357 PHE B CG 1 ATOM 6952 C CD1 . PHE B 1 359 ? -11.371 23.320 -51.577 1.00 34.42 ? 357 PHE B CD1 1 ATOM 6953 C CD2 . PHE B 1 359 ? -9.057 23.182 -52.174 1.00 46.45 ? 357 PHE B CD2 1 ATOM 6954 C CE1 . PHE B 1 359 ? -11.027 23.876 -50.350 1.00 44.58 ? 357 PHE B CE1 1 ATOM 6955 C CE2 . PHE B 1 359 ? -8.703 23.742 -50.940 1.00 49.28 ? 357 PHE B CE2 1 ATOM 6956 C CZ . PHE B 1 359 ? -9.691 24.090 -50.030 1.00 49.60 ? 357 PHE B CZ 1 ATOM 6957 N N . PHE B 1 360 ? -11.137 19.631 -55.883 1.00 40.79 ? 358 PHE B N 1 ATOM 6958 C CA . PHE B 1 360 ? -11.896 19.055 -56.992 1.00 41.68 ? 358 PHE B CA 1 ATOM 6959 C C . PHE B 1 360 ? -11.576 17.565 -57.255 1.00 54.41 ? 358 PHE B C 1 ATOM 6960 O O . PHE B 1 360 ? -11.037 17.204 -58.310 1.00 54.74 ? 358 PHE B O 1 ATOM 6961 C CB . PHE B 1 360 ? -11.691 19.901 -58.245 1.00 40.87 ? 358 PHE B CB 1 ATOM 6962 C CG . PHE B 1 360 ? -12.227 21.290 -58.125 1.00 40.40 ? 358 PHE B CG 1 ATOM 6963 C CD1 . PHE B 1 360 ? -13.547 21.566 -58.460 1.00 44.12 ? 358 PHE B CD1 1 ATOM 6964 C CD2 . PHE B 1 360 ? -11.419 22.324 -57.676 1.00 35.14 ? 358 PHE B CD2 1 ATOM 6965 C CE1 . PHE B 1 360 ? -14.053 22.845 -58.343 1.00 39.16 ? 358 PHE B CE1 1 ATOM 6966 C CE2 . PHE B 1 360 ? -11.916 23.602 -57.555 1.00 37.31 ? 358 PHE B CE2 1 ATOM 6967 C CZ . PHE B 1 360 ? -13.229 23.871 -57.893 1.00 40.30 ? 358 PHE B CZ 1 ATOM 6968 N N . PRO B 1 361 ? -11.926 16.691 -56.295 1.00 58.64 ? 359 PRO B N 1 ATOM 6969 C CA . PRO B 1 361 ? -11.559 15.266 -56.348 1.00 57.39 ? 359 PRO B CA 1 ATOM 6970 C C . PRO B 1 361 ? -12.115 14.441 -57.530 1.00 61.40 ? 359 PRO B C 1 ATOM 6971 O O . PRO B 1 361 ? -11.396 13.585 -58.078 1.00 60.10 ? 359 PRO B O 1 ATOM 6972 C CB . PRO B 1 361 ? -12.089 14.720 -55.014 1.00 53.04 ? 359 PRO B CB 1 ATOM 6973 C CG . PRO B 1 361 ? -13.139 15.705 -54.580 1.00 55.22 ? 359 PRO B CG 1 ATOM 6974 C CD . PRO B 1 361 ? -12.629 17.028 -55.044 1.00 54.76 ? 359 PRO B CD 1 ATOM 6975 N N . GLY B 1 362 ? -13.367 14.669 -57.917 1.00 57.08 ? 360 GLY B N 1 ATOM 6976 C CA . GLY B 1 362 ? -13.963 13.847 -58.961 1.00 55.38 ? 360 GLY B CA 1 ATOM 6977 C C . GLY B 1 362 ? -13.692 14.314 -60.383 1.00 64.75 ? 360 GLY B C 1 ATOM 6978 O O . GLY B 1 362 ? -14.109 13.668 -61.349 1.00 66.13 ? 360 GLY B O 1 ATOM 6979 N N . VAL B 1 363 ? -12.976 15.428 -60.509 1.00 59.82 ? 361 VAL B N 1 ATOM 6980 C CA . VAL B 1 363 ? -12.825 16.127 -61.783 1.00 52.24 ? 361 VAL B CA 1 ATOM 6981 C C . VAL B 1 363 ? -11.648 15.610 -62.646 1.00 48.63 ? 361 VAL B C 1 ATOM 6982 O O . VAL B 1 363 ? -10.568 15.339 -62.119 1.00 52.79 ? 361 VAL B O 1 ATOM 6983 C CB . VAL B 1 363 ? -12.709 17.660 -61.526 1.00 45.68 ? 361 VAL B CB 1 ATOM 6984 C CG1 . VAL B 1 363 ? -12.443 18.417 -62.814 1.00 38.31 ? 361 VAL B CG1 1 ATOM 6985 C CG2 . VAL B 1 363 ? -13.970 18.177 -60.841 1.00 39.18 ? 361 VAL B CG2 1 ATOM 6986 N N . SER B 1 364 ? -11.871 15.478 -63.960 1.00 41.69 ? 362 SER B N 1 ATOM 6987 C CA . SER B 1 364 ? -10.840 15.041 -64.911 1.00 45.55 ? 362 SER B CA 1 ATOM 6988 C C . SER B 1 364 ? -9.613 15.956 -64.991 1.00 54.13 ? 362 SER B C 1 ATOM 6989 O O . SER B 1 364 ? -9.663 17.115 -64.579 1.00 63.80 ? 362 SER B O 1 ATOM 6990 C CB . SER B 1 364 ? -11.436 14.890 -66.313 1.00 59.26 ? 362 SER B CB 1 ATOM 6991 O OG . SER B 1 364 ? -11.565 16.143 -66.969 1.00 61.12 ? 362 SER B OG 1 ATOM 6992 N N . GLU B 1 365 ? -8.514 15.439 -65.532 1.00 56.19 ? 363 GLU B N 1 ATOM 6993 C CA . GLU B 1 365 ? -7.288 16.227 -65.628 1.00 63.51 ? 363 GLU B CA 1 ATOM 6994 C C . GLU B 1 365 ? -7.458 17.427 -66.568 1.00 63.09 ? 363 GLU B C 1 ATOM 6995 O O . GLU B 1 365 ? -6.918 18.507 -66.312 1.00 58.59 ? 363 GLU B O 1 ATOM 6996 C CB . GLU B 1 365 ? -6.095 15.361 -66.043 1.00 73.86 ? 363 GLU B CB 1 ATOM 6997 C CG . GLU B 1 365 ? -4.764 16.117 -66.068 1.00 89.31 ? 363 GLU B CG 1 ATOM 6998 C CD . GLU B 1 365 ? -4.402 16.739 -64.719 1.00 100.64 ? 363 GLU B CD 1 ATOM 6999 O OE1 . GLU B 1 365 ? -4.478 16.019 -63.695 1.00 102.86 ? 363 GLU B OE1 1 ATOM 7000 O OE2 . GLU B 1 365 ? -4.046 17.946 -64.686 1.00 100.94 ? 363 GLU B OE2 1 ATOM 7001 N N . PHE B 1 366 ? -8.220 17.230 -67.641 1.00 63.37 ? 364 PHE B N 1 ATOM 7002 C CA . PHE B 1 366 ? -8.597 18.314 -68.546 1.00 70.99 ? 364 PHE B CA 1 ATOM 7003 C C . PHE B 1 366 ? -9.376 19.412 -67.799 1.00 62.95 ? 364 PHE B C 1 ATOM 7004 O O . PHE B 1 366 ? -9.151 20.605 -68.010 1.00 65.98 ? 364 PHE B O 1 ATOM 7005 C CB . PHE B 1 366 ? -9.406 17.759 -69.734 1.00 78.70 ? 364 PHE B CB 1 ATOM 7006 C CG . PHE B 1 366 ? -10.057 18.822 -70.594 1.00 85.18 ? 364 PHE B CG 1 ATOM 7007 C CD1 . PHE B 1 366 ? -9.320 19.529 -71.531 1.00 85.22 ? 364 PHE B CD1 1 ATOM 7008 C CD2 . PHE B 1 366 ? -11.414 19.096 -70.481 1.00 84.37 ? 364 PHE B CD2 1 ATOM 7009 C CE1 . PHE B 1 366 ? -9.923 20.497 -72.329 1.00 79.56 ? 364 PHE B CE1 1 ATOM 7010 C CE2 . PHE B 1 366 ? -12.018 20.069 -71.278 1.00 77.43 ? 364 PHE B CE2 1 ATOM 7011 C CZ . PHE B 1 366 ? -11.270 20.764 -72.198 1.00 75.60 ? 364 PHE B CZ 1 ATOM 7012 N N . GLY B 1 367 ? -10.271 18.998 -66.912 1.00 55.73 ? 365 GLY B N 1 ATOM 7013 C CA . GLY B 1 367 ? -11.081 19.925 -66.148 1.00 53.81 ? 365 GLY B CA 1 ATOM 7014 C C . GLY B 1 367 ? -10.244 20.767 -65.214 1.00 58.04 ? 365 GLY B C 1 ATOM 7015 O O . GLY B 1 367 ? -10.397 21.986 -65.162 1.00 63.77 ? 365 GLY B O 1 ATOM 7016 N N . LYS B 1 368 ? -9.351 20.115 -64.477 1.00 57.68 ? 366 LYS B N 1 ATOM 7017 C CA . LYS B 1 368 ? -8.450 20.822 -63.579 1.00 51.10 ? 366 LYS B CA 1 ATOM 7018 C C . LYS B 1 368 ? -7.486 21.690 -64.369 1.00 50.45 ? 366 LYS B C 1 ATOM 7019 O O . LYS B 1 368 ? -7.191 22.819 -63.982 1.00 52.15 ? 366 LYS B O 1 ATOM 7020 C CB . LYS B 1 368 ? -7.684 19.839 -62.693 1.00 53.95 ? 366 LYS B CB 1 ATOM 7021 C CG . LYS B 1 368 ? -8.551 19.216 -61.599 1.00 56.47 ? 366 LYS B CG 1 ATOM 7022 C CD . LYS B 1 368 ? -7.795 18.215 -60.757 1.00 49.43 ? 366 LYS B CD 1 ATOM 7023 C CE . LYS B 1 368 ? -7.567 16.925 -61.511 1.00 55.37 ? 366 LYS B CE 1 ATOM 7024 N NZ . LYS B 1 368 ? -6.934 15.900 -60.637 1.00 62.46 ? 366 LYS B NZ 1 ATOM 7025 N N . GLU B 1 369 ? -7.013 21.168 -65.493 1.00 46.40 ? 367 GLU B N 1 ATOM 7026 C CA . GLU B 1 369 ? -6.095 21.924 -66.322 1.00 49.68 ? 367 GLU B CA 1 ATOM 7027 C C . GLU B 1 369 ? -6.799 23.162 -66.838 1.00 52.86 ? 367 GLU B C 1 ATOM 7028 O O . GLU B 1 369 ? -6.173 24.200 -67.029 1.00 60.16 ? 367 GLU B O 1 ATOM 7029 C CB . GLU B 1 369 ? -5.554 21.067 -67.477 1.00 56.46 ? 367 GLU B CB 1 ATOM 7030 C CG . GLU B 1 369 ? -4.648 21.801 -68.451 1.00 67.95 ? 367 GLU B CG 1 ATOM 7031 C CD . GLU B 1 369 ? -3.430 22.439 -67.785 1.00 77.85 ? 367 GLU B CD 1 ATOM 7032 O OE1 . GLU B 1 369 ? -2.653 21.712 -67.121 1.00 79.82 ? 367 GLU B OE1 1 ATOM 7033 O OE2 . GLU B 1 369 ? -3.250 23.672 -67.936 1.00 74.63 ? 367 GLU B OE2 1 ATOM 7034 N N . SER B 1 370 ? -8.108 23.070 -67.045 1.00 52.44 ? 368 SER B N 1 ATOM 7035 C CA . SER B 1 370 ? -8.826 24.206 -67.619 1.00 49.06 ? 368 SER B CA 1 ATOM 7036 C C . SER B 1 370 ? -9.108 25.264 -66.562 1.00 51.28 ? 368 SER B C 1 ATOM 7037 O O . SER B 1 370 ? -9.243 26.440 -66.884 1.00 60.34 ? 368 SER B O 1 ATOM 7038 C CB . SER B 1 370 ? -10.104 23.776 -68.348 1.00 47.11 ? 368 SER B CB 1 ATOM 7039 O OG . SER B 1 370 ? -11.164 23.569 -67.441 1.00 54.76 ? 368 SER B OG 1 ATOM 7040 N N . ILE B 1 371 ? -9.176 24.844 -65.301 1.00 48.18 ? 369 ILE B N 1 ATOM 7041 C CA . ILE B 1 371 ? -9.299 25.771 -64.178 1.00 42.25 ? 369 ILE B CA 1 ATOM 7042 C C . ILE B 1 371 ? -7.989 26.518 -63.979 1.00 48.60 ? 369 ILE B C 1 ATOM 7043 O O . ILE B 1 371 ? -7.971 27.745 -63.795 1.00 48.03 ? 369 ILE B O 1 ATOM 7044 C CB . ILE B 1 371 ? -9.624 25.041 -62.864 1.00 40.57 ? 369 ILE B CB 1 ATOM 7045 C CG1 . ILE B 1 371 ? -10.963 24.318 -62.952 1.00 36.91 ? 369 ILE B CG1 1 ATOM 7046 C CG2 . ILE B 1 371 ? -9.653 26.013 -61.703 1.00 41.86 ? 369 ILE B CG2 1 ATOM 7047 C CD1 . ILE B 1 371 ? -11.310 23.593 -61.681 1.00 35.64 ? 369 ILE B CD1 1 ATOM 7048 N N . LEU B 1 372 ? -6.899 25.756 -64.004 1.00 48.58 ? 370 LEU B N 1 ATOM 7049 C CA . LEU B 1 372 ? -5.557 26.312 -63.922 1.00 44.33 ? 370 LEU B CA 1 ATOM 7050 C C . LEU B 1 372 ? -5.381 27.381 -65.009 1.00 44.96 ? 370 LEU B C 1 ATOM 7051 O O . LEU B 1 372 ? -4.915 28.479 -64.733 1.00 49.40 ? 370 LEU B O 1 ATOM 7052 C CB . LEU B 1 372 ? -4.507 25.193 -64.050 1.00 45.39 ? 370 LEU B CB 1 ATOM 7053 C CG . LEU B 1 372 ? -3.005 25.522 -64.053 1.00 48.26 ? 370 LEU B CG 1 ATOM 7054 C CD1 . LEU B 1 372 ? -2.385 25.312 -62.700 1.00 45.35 ? 370 LEU B CD1 1 ATOM 7055 C CD2 . LEU B 1 372 ? -2.269 24.677 -65.048 1.00 59.61 ? 370 LEU B CD2 1 ATOM 7056 N N . PHE B 1 373 ? -5.795 27.081 -66.236 1.00 43.76 ? 371 PHE B N 1 ATOM 7057 C CA . PHE B 1 373 ? -5.649 28.054 -67.323 1.00 57.36 ? 371 PHE B CA 1 ATOM 7058 C C . PHE B 1 373 ? -6.433 29.359 -67.095 1.00 57.22 ? 371 PHE B C 1 ATOM 7059 O O . PHE B 1 373 ? -5.943 30.444 -67.378 1.00 61.65 ? 371 PHE B O 1 ATOM 7060 C CB . PHE B 1 373 ? -6.041 27.438 -68.670 1.00 50.88 ? 371 PHE B CB 1 ATOM 7061 C CG . PHE B 1 373 ? -6.107 28.432 -69.793 1.00 45.36 ? 371 PHE B CG 1 ATOM 7062 C CD1 . PHE B 1 373 ? -4.955 28.840 -70.442 1.00 52.31 ? 371 PHE B CD1 1 ATOM 7063 C CD2 . PHE B 1 373 ? -7.322 28.953 -70.202 1.00 47.67 ? 371 PHE B CD2 1 ATOM 7064 C CE1 . PHE B 1 373 ? -5.008 29.747 -71.486 1.00 54.89 ? 371 PHE B CE1 1 ATOM 7065 C CE2 . PHE B 1 373 ? -7.393 29.866 -71.242 1.00 51.65 ? 371 PHE B CE2 1 ATOM 7066 C CZ . PHE B 1 373 ? -6.234 30.263 -71.891 1.00 55.77 ? 371 PHE B CZ 1 ATOM 7067 N N . HIS B 1 374 ? -7.650 29.233 -66.586 1.00 47.98 ? 372 HIS B N 1 ATOM 7068 C CA . HIS B 1 374 ? -8.560 30.355 -66.462 1.00 38.21 ? 372 HIS B CA 1 ATOM 7069 C C . HIS B 1 374 ? -8.169 31.290 -65.309 1.00 45.52 ? 372 HIS B C 1 ATOM 7070 O O . HIS B 1 374 ? -8.553 32.461 -65.286 1.00 53.90 ? 372 HIS B O 1 ATOM 7071 C CB . HIS B 1 374 ? -9.971 29.819 -66.241 1.00 39.33 ? 372 HIS B CB 1 ATOM 7072 C CG . HIS B 1 374 ? -11.042 30.792 -66.600 1.00 50.54 ? 372 HIS B CG 1 ATOM 7073 N ND1 . HIS B 1 374 ? -11.324 31.137 -67.903 1.00 61.36 ? 372 HIS B ND1 1 ATOM 7074 C CD2 . HIS B 1 374 ? -11.892 31.508 -65.827 1.00 51.66 ? 372 HIS B CD2 1 ATOM 7075 C CE1 . HIS B 1 374 ? -12.304 32.023 -67.918 1.00 62.65 ? 372 HIS B CE1 1 ATOM 7076 N NE2 . HIS B 1 374 ? -12.667 32.264 -66.671 1.00 57.35 ? 372 HIS B NE2 1 ATOM 7077 N N . TYR B 1 375 ? -7.404 30.762 -64.359 1.00 36.56 ? 373 TYR B N 1 ATOM 7078 C CA . TYR B 1 375 ? -6.999 31.511 -63.182 1.00 39.63 ? 373 TYR B CA 1 ATOM 7079 C C . TYR B 1 375 ? -5.497 31.809 -63.168 1.00 49.05 ? 373 TYR B C 1 ATOM 7080 O O . TYR B 1 375 ? -4.948 32.179 -62.137 1.00 55.55 ? 373 TYR B O 1 ATOM 7081 C CB . TYR B 1 375 ? -7.422 30.780 -61.887 1.00 42.44 ? 373 TYR B CB 1 ATOM 7082 C CG . TYR B 1 375 ? -8.887 30.973 -61.541 1.00 44.44 ? 373 TYR B CG 1 ATOM 7083 C CD1 . TYR B 1 375 ? -9.873 30.196 -62.144 1.00 44.27 ? 373 TYR B CD1 1 ATOM 7084 C CD2 . TYR B 1 375 ? -9.287 31.947 -60.628 1.00 39.48 ? 373 TYR B CD2 1 ATOM 7085 C CE1 . TYR B 1 375 ? -11.213 30.383 -61.853 1.00 39.14 ? 373 TYR B CE1 1 ATOM 7086 C CE2 . TYR B 1 375 ? -10.624 32.142 -60.326 1.00 35.65 ? 373 TYR B CE2 1 ATOM 7087 C CZ . TYR B 1 375 ? -11.586 31.356 -60.941 1.00 44.54 ? 373 TYR B CZ 1 ATOM 7088 O OH . TYR B 1 375 ? -12.925 31.531 -60.646 1.00 45.43 ? 373 TYR B OH 1 ATOM 7089 N N . THR B 1 376 ? -4.829 31.661 -64.305 1.00 46.95 ? 374 THR B N 1 ATOM 7090 C CA . THR B 1 376 ? -3.407 31.989 -64.357 1.00 53.43 ? 374 THR B CA 1 ATOM 7091 C C . THR B 1 376 ? -3.039 33.130 -65.316 1.00 57.20 ? 374 THR B C 1 ATOM 7092 O O . THR B 1 376 ? -1.878 33.262 -65.703 1.00 60.74 ? 374 THR B O 1 ATOM 7093 C CB . THR B 1 376 ? -2.536 30.759 -64.707 1.00 54.74 ? 374 THR B CB 1 ATOM 7094 O OG1 . THR B 1 376 ? -3.070 30.093 -65.863 1.00 50.32 ? 374 THR B OG1 1 ATOM 7095 C CG2 . THR B 1 376 ? -2.434 29.797 -63.518 1.00 41.86 ? 374 THR B CG2 1 ATOM 7096 N N . ASP B 1 377 ? -4.008 33.951 -65.703 1.00 51.36 ? 375 ASP B N 1 ATOM 7097 C CA . ASP B 1 377 ? -3.694 35.092 -66.562 1.00 56.61 ? 375 ASP B CA 1 ATOM 7098 C C . ASP B 1 377 ? -3.296 36.294 -65.709 1.00 56.36 ? 375 ASP B C 1 ATOM 7099 O O . ASP B 1 377 ? -4.107 37.187 -65.459 1.00 50.53 ? 375 ASP B O 1 ATOM 7100 C CB . ASP B 1 377 ? -4.873 35.432 -67.483 1.00 56.73 ? 375 ASP B CB 1 ATOM 7101 C CG . ASP B 1 377 ? -4.505 36.430 -68.563 1.00 63.24 ? 375 ASP B CG 1 ATOM 7102 O OD1 . ASP B 1 377 ? -3.307 36.766 -68.690 1.00 69.70 ? 375 ASP B OD1 1 ATOM 7103 O OD2 . ASP B 1 377 ? -5.417 36.874 -69.292 1.00 65.58 ? 375 ASP B OD2 1 ATOM 7104 N N . TRP B 1 378 ? -2.042 36.306 -65.265 1.00 63.59 ? 376 TRP B N 1 ATOM 7105 C CA . TRP B 1 378 ? -1.567 37.311 -64.307 1.00 67.68 ? 376 TRP B CA 1 ATOM 7106 C C . TRP B 1 378 ? -1.527 38.752 -64.836 1.00 70.95 ? 376 TRP B C 1 ATOM 7107 O O . TRP B 1 378 ? -1.210 38.992 -66.010 1.00 77.72 ? 376 TRP B O 1 ATOM 7108 C CB . TRP B 1 378 ? -0.169 36.949 -63.786 1.00 58.75 ? 376 TRP B CB 1 ATOM 7109 C CG . TRP B 1 378 ? 0.010 35.527 -63.382 1.00 57.46 ? 376 TRP B CG 1 ATOM 7110 C CD1 . TRP B 1 378 ? 0.970 34.670 -63.830 1.00 58.32 ? 376 TRP B CD1 1 ATOM 7111 C CD2 . TRP B 1 378 ? -0.782 34.786 -62.433 1.00 52.62 ? 376 TRP B CD2 1 ATOM 7112 N NE1 . TRP B 1 378 ? 0.826 33.440 -63.222 1.00 59.03 ? 376 TRP B NE1 1 ATOM 7113 C CE2 . TRP B 1 378 ? -0.241 33.485 -62.364 1.00 48.53 ? 376 TRP B CE2 1 ATOM 7114 C CE3 . TRP B 1 378 ? -1.892 35.097 -61.642 1.00 44.53 ? 376 TRP B CE3 1 ATOM 7115 C CZ2 . TRP B 1 378 ? -0.774 32.493 -61.539 1.00 52.20 ? 376 TRP B CZ2 1 ATOM 7116 C CZ3 . TRP B 1 378 ? -2.417 34.116 -60.822 1.00 45.68 ? 376 TRP B CZ3 1 ATOM 7117 C CH2 . TRP B 1 378 ? -1.861 32.822 -60.782 1.00 47.83 ? 376 TRP B CH2 1 ATOM 7118 N N . VAL B 1 379 ? -1.835 39.703 -63.954 1.00 67.15 ? 377 VAL B N 1 ATOM 7119 C CA . VAL B 1 379 ? -1.538 41.116 -64.199 1.00 75.11 ? 377 VAL B CA 1 ATOM 7120 C C . VAL B 1 379 ? -0.027 41.373 -64.059 1.00 84.80 ? 377 VAL B C 1 ATOM 7121 O O . VAL B 1 379 ? 0.632 41.796 -65.018 1.00 95.63 ? 377 VAL B O 1 ATOM 7122 C CB . VAL B 1 379 ? -2.380 42.071 -63.302 1.00 75.79 ? 377 VAL B CB 1 ATOM 7123 C CG1 . VAL B 1 379 ? -3.813 42.132 -63.799 1.00 68.94 ? 377 VAL B CG1 1 ATOM 7124 C CG2 . VAL B 1 379 ? -2.348 41.647 -61.828 1.00 80.37 ? 377 VAL B CG2 1 ATOM 7125 N N . ASP B 1 380 ? 0.517 41.100 -62.875 1.00 80.50 ? 378 ASP B N 1 ATOM 7126 C CA . ASP B 1 380 ? 1.962 41.101 -62.667 1.00 83.60 ? 378 ASP B CA 1 ATOM 7127 C C . ASP B 1 380 ? 2.448 39.661 -62.497 1.00 78.31 ? 378 ASP B C 1 ATOM 7128 O O . ASP B 1 380 ? 2.092 38.976 -61.533 1.00 75.43 ? 378 ASP B O 1 ATOM 7129 C CB . ASP B 1 380 ? 2.358 41.969 -61.462 1.00 85.70 ? 378 ASP B CB 1 ATOM 7130 C CG . ASP B 1 380 ? 3.870 42.019 -61.236 1.00 93.19 ? 378 ASP B CG 1 ATOM 7131 O OD1 . ASP B 1 380 ? 4.642 41.739 -62.178 1.00 97.54 ? 378 ASP B OD1 1 ATOM 7132 O OD2 . ASP B 1 380 ? 4.293 42.351 -60.111 1.00 97.78 ? 378 ASP B OD2 1 ATOM 7133 N N . ASP B 1 381 ? 3.261 39.220 -63.452 1.00 76.15 ? 379 ASP B N 1 ATOM 7134 C CA . ASP B 1 381 ? 3.762 37.852 -63.514 1.00 75.39 ? 379 ASP B CA 1 ATOM 7135 C C . ASP B 1 381 ? 4.986 37.624 -62.610 1.00 77.41 ? 379 ASP B C 1 ATOM 7136 O O . ASP B 1 381 ? 5.474 36.495 -62.480 1.00 68.84 ? 379 ASP B O 1 ATOM 7137 C CB . ASP B 1 381 ? 4.075 37.498 -64.976 1.00 80.97 ? 379 ASP B CB 1 ATOM 7138 C CG . ASP B 1 381 ? 4.371 38.739 -65.833 1.00 88.69 ? 379 ASP B CG 1 ATOM 7139 O OD1 . ASP B 1 381 ? 3.413 39.439 -66.243 1.00 86.70 ? 379 ASP B OD1 1 ATOM 7140 O OD2 . ASP B 1 381 ? 5.563 39.018 -66.098 1.00 89.92 ? 379 ASP B OD2 1 ATOM 7141 N N . GLN B 1 382 ? 5.468 38.702 -61.988 1.00 84.02 ? 380 GLN B N 1 ATOM 7142 C CA . GLN B 1 382 ? 6.565 38.635 -61.019 1.00 86.62 ? 380 GLN B CA 1 ATOM 7143 C C . GLN B 1 382 ? 6.041 38.245 -59.637 1.00 87.86 ? 380 GLN B C 1 ATOM 7144 O O . GLN B 1 382 ? 6.728 37.578 -58.858 1.00 90.92 ? 380 GLN B O 1 ATOM 7145 C CB . GLN B 1 382 ? 7.270 39.993 -60.914 0.80 88.42 ? 380 GLN B CB 1 ATOM 7146 C CG . GLN B 1 382 ? 7.760 40.578 -62.235 0.80 90.07 ? 380 GLN B CG 1 ATOM 7147 C CD . GLN B 1 382 ? 8.957 39.838 -62.794 1.00 87.18 ? 380 GLN B CD 1 ATOM 7148 O OE1 . GLN B 1 382 ? 8.876 38.652 -63.120 0.88 78.70 ? 380 GLN B OE1 1 ATOM 7149 N NE2 . GLN B 1 382 ? 10.081 40.536 -62.905 0.74 91.93 ? 380 GLN B NE2 1 ATOM 7150 N N . ARG B 1 383 ? 4.817 38.680 -59.354 1.00 81.17 ? 381 ARG B N 1 ATOM 7151 C CA . ARG B 1 383 ? 4.158 38.507 -58.061 1.00 74.01 ? 381 ARG B CA 1 ATOM 7152 C C . ARG B 1 383 ? 4.184 37.061 -57.535 1.00 75.22 ? 381 ARG B C 1 ATOM 7153 O O . ARG B 1 383 ? 3.586 36.164 -58.130 1.00 75.39 ? 381 ARG B O 1 ATOM 7154 C CB . ARG B 1 383 ? 2.724 39.028 -58.176 1.00 70.38 ? 381 ARG B CB 1 ATOM 7155 C CG . ARG B 1 383 ? 1.917 39.018 -56.900 1.00 73.16 ? 381 ARG B CG 1 ATOM 7156 C CD . ARG B 1 383 ? 0.717 39.954 -57.016 1.00 78.84 ? 381 ARG B CD 1 ATOM 7157 N NE . ARG B 1 383 ? -0.072 40.011 -55.786 1.00 84.61 ? 381 ARG B NE 1 ATOM 7158 C CZ . ARG B 1 383 ? 0.285 40.682 -54.691 1.00 90.22 ? 381 ARG B CZ 1 ATOM 7159 N NH1 . ARG B 1 383 ? 1.440 41.343 -54.656 1.00 96.13 ? 381 ARG B NH1 1 ATOM 7160 N NH2 . ARG B 1 383 ? -0.503 40.677 -53.619 1.00 83.46 ? 381 ARG B NH2 1 ATOM 7161 N N . PRO B 1 384 ? 4.905 36.832 -56.424 1.00 71.12 ? 382 PRO B N 1 ATOM 7162 C CA . PRO B 1 384 ? 5.043 35.488 -55.843 1.00 66.63 ? 382 PRO B CA 1 ATOM 7163 C C . PRO B 1 384 ? 3.799 34.958 -55.108 1.00 68.90 ? 382 PRO B C 1 ATOM 7164 O O . PRO B 1 384 ? 3.753 33.774 -54.760 1.00 69.45 ? 382 PRO B O 1 ATOM 7165 C CB . PRO B 1 384 ? 6.225 35.641 -54.874 1.00 63.75 ? 382 PRO B CB 1 ATOM 7166 C CG . PRO B 1 384 ? 6.318 37.105 -54.596 1.00 58.75 ? 382 PRO B CG 1 ATOM 7167 C CD . PRO B 1 384 ? 5.842 37.799 -55.823 1.00 65.01 ? 382 PRO B CD 1 ATOM 7168 N N . GLU B 1 385 ? 2.805 35.806 -54.875 1.00 64.35 ? 383 GLU B N 1 ATOM 7169 C CA . GLU B 1 385 ? 1.593 35.351 -54.207 1.00 55.62 ? 383 GLU B CA 1 ATOM 7170 C C . GLU B 1 385 ? 0.479 35.050 -55.198 1.00 62.07 ? 383 GLU B C 1 ATOM 7171 O O . GLU B 1 385 ? -0.670 34.808 -54.806 1.00 60.96 ? 383 GLU B O 1 ATOM 7172 C CB . GLU B 1 385 ? 1.125 36.345 -53.152 1.00 54.84 ? 383 GLU B CB 1 ATOM 7173 C CG . GLU B 1 385 ? 1.259 37.778 -53.558 1.00 68.00 ? 383 GLU B CG 1 ATOM 7174 C CD . GLU B 1 385 ? 2.619 38.344 -53.216 1.00 78.19 ? 383 GLU B CD 1 ATOM 7175 O OE1 . GLU B 1 385 ? 2.998 38.310 -52.026 1.00 77.08 ? 383 GLU B OE1 1 ATOM 7176 O OE2 . GLU B 1 385 ? 3.310 38.822 -54.138 1.00 84.27 ? 383 GLU B OE2 1 ATOM 7177 N N . ASN B 1 386 ? 0.839 35.037 -56.479 1.00 64.62 ? 384 ASN B N 1 ATOM 7178 C CA . ASN B 1 386 ? -0.106 34.746 -57.554 1.00 65.86 ? 384 ASN B CA 1 ATOM 7179 C C . ASN B 1 386 ? -0.881 33.441 -57.349 1.00 63.62 ? 384 ASN B C 1 ATOM 7180 O O . ASN B 1 386 ? -2.110 33.431 -57.428 1.00 65.80 ? 384 ASN B O 1 ATOM 7181 C CB . ASN B 1 386 ? 0.605 34.718 -58.913 1.00 65.93 ? 384 ASN B CB 1 ATOM 7182 C CG . ASN B 1 386 ? 0.879 36.104 -59.464 1.00 64.00 ? 384 ASN B CG 1 ATOM 7183 O OD1 . ASN B 1 386 ? 0.356 37.105 -58.968 1.00 52.73 ? 384 ASN B OD1 1 ATOM 7184 N ND2 . ASN B 1 386 ? 1.696 36.165 -60.513 1.00 68.16 ? 384 ASN B ND2 1 ATOM 7185 N N . TYR B 1 387 ? -0.167 32.349 -57.081 1.00 52.02 ? 385 TYR B N 1 ATOM 7186 C CA . TYR B 1 387 ? -0.814 31.048 -56.960 1.00 47.11 ? 385 TYR B CA 1 ATOM 7187 C C . TYR B 1 387 ? -1.652 30.927 -55.690 1.00 47.78 ? 385 TYR B C 1 ATOM 7188 O O . TYR B 1 387 ? -2.747 30.380 -55.720 1.00 47.07 ? 385 TYR B O 1 ATOM 7189 C CB . TYR B 1 387 ? 0.205 29.911 -57.057 1.00 53.01 ? 385 TYR B CB 1 ATOM 7190 C CG . TYR B 1 387 ? 0.648 29.631 -58.473 1.00 59.10 ? 385 TYR B CG 1 ATOM 7191 C CD1 . TYR B 1 387 ? -0.258 29.166 -59.427 1.00 57.34 ? 385 TYR B CD1 1 ATOM 7192 C CD2 . TYR B 1 387 ? 1.967 29.827 -58.861 1.00 58.24 ? 385 TYR B CD2 1 ATOM 7193 C CE1 . TYR B 1 387 ? 0.140 28.913 -60.729 1.00 59.96 ? 385 TYR B CE1 1 ATOM 7194 C CE2 . TYR B 1 387 ? 2.370 29.577 -60.159 1.00 62.84 ? 385 TYR B CE2 1 ATOM 7195 C CZ . TYR B 1 387 ? 1.455 29.119 -61.090 1.00 63.49 ? 385 TYR B CZ 1 ATOM 7196 O OH . TYR B 1 387 ? 1.863 28.867 -62.383 1.00 68.35 ? 385 TYR B OH 1 ATOM 7197 N N . ARG B 1 388 ? -1.137 31.446 -54.582 1.00 48.47 ? 386 ARG B N 1 ATOM 7198 C CA . ARG B 1 388 ? -1.883 31.482 -53.325 1.00 39.88 ? 386 ARG B CA 1 ATOM 7199 C C . ARG B 1 388 ? -3.228 32.204 -53.487 1.00 43.21 ? 386 ARG B C 1 ATOM 7200 O O . ARG B 1 388 ? -4.246 31.748 -52.989 1.00 49.11 ? 386 ARG B O 1 ATOM 7201 C CB . ARG B 1 388 ? -1.049 32.195 -52.267 1.00 37.58 ? 386 ARG B CB 1 ATOM 7202 C CG . ARG B 1 388 ? -1.674 32.269 -50.911 1.00 36.32 ? 386 ARG B CG 1 ATOM 7203 C CD . ARG B 1 388 ? -0.932 33.264 -50.043 1.00 38.36 ? 386 ARG B CD 1 ATOM 7204 N NE . ARG B 1 388 ? -1.332 34.636 -50.339 1.00 40.35 ? 386 ARG B NE 1 ATOM 7205 C CZ . ARG B 1 388 ? -0.607 35.705 -50.027 1.00 51.31 ? 386 ARG B CZ 1 ATOM 7206 N NH1 . ARG B 1 388 ? 0.567 35.561 -49.415 1.00 50.36 ? 386 ARG B NH1 1 ATOM 7207 N NH2 . ARG B 1 388 ? -1.052 36.917 -50.334 1.00 50.43 ? 386 ARG B NH2 1 ATOM 7208 N N . GLU B 1 389 ? -3.226 33.331 -54.192 1.00 46.65 ? 387 GLU B N 1 ATOM 7209 C CA . GLU B 1 389 ? -4.438 34.120 -54.369 1.00 44.18 ? 387 GLU B CA 1 ATOM 7210 C C . GLU B 1 389 ? -5.406 33.450 -55.332 1.00 48.21 ? 387 GLU B C 1 ATOM 7211 O O . GLU B 1 389 ? -6.611 33.407 -55.082 1.00 54.41 ? 387 GLU B O 1 ATOM 7212 C CB . GLU B 1 389 ? -4.107 35.538 -54.842 1.00 37.66 ? 387 GLU B CB 1 ATOM 7213 C CG . GLU B 1 389 ? -3.618 36.450 -53.730 1.00 51.34 ? 387 GLU B CG 1 ATOM 7214 C CD . GLU B 1 389 ? -2.828 37.669 -54.231 1.00 64.22 ? 387 GLU B CD 1 ATOM 7215 O OE1 . GLU B 1 389 ? -2.796 37.932 -55.453 1.00 60.12 ? 387 GLU B OE1 1 ATOM 7216 O OE2 . GLU B 1 389 ? -2.228 38.363 -53.385 1.00 70.96 ? 387 GLU B OE2 1 ATOM 7217 N N . ALA B 1 390 ? -4.873 32.916 -56.424 1.00 44.65 ? 388 ALA B N 1 ATOM 7218 C CA . ALA B 1 390 ? -5.702 32.240 -57.418 1.00 49.04 ? 388 ALA B CA 1 ATOM 7219 C C . ALA B 1 390 ? -6.471 31.052 -56.819 1.00 49.74 ? 388 ALA B C 1 ATOM 7220 O O . ALA B 1 390 ? -7.661 30.863 -57.105 1.00 49.44 ? 388 ALA B O 1 ATOM 7221 C CB . ALA B 1 390 ? -4.861 31.803 -58.628 1.00 42.11 ? 388 ALA B CB 1 ATOM 7222 N N . LEU B 1 391 ? -5.807 30.272 -55.968 1.00 41.63 ? 389 LEU B N 1 ATOM 7223 C CA . LEU B 1 391 ? -6.459 29.120 -55.361 1.00 43.25 ? 389 LEU B CA 1 ATOM 7224 C C . LEU B 1 391 ? -7.596 29.557 -54.445 1.00 45.88 ? 389 LEU B C 1 ATOM 7225 O O . LEU B 1 391 ? -8.681 28.955 -54.456 1.00 43.12 ? 389 LEU B O 1 ATOM 7226 C CB . LEU B 1 391 ? -5.468 28.244 -54.607 1.00 41.14 ? 389 LEU B CB 1 ATOM 7227 C CG . LEU B 1 391 ? -6.131 26.941 -54.164 1.00 40.67 ? 389 LEU B CG 1 ATOM 7228 C CD1 . LEU B 1 391 ? -6.653 26.195 -55.394 1.00 34.91 ? 389 LEU B CD1 1 ATOM 7229 C CD2 . LEU B 1 391 ? -5.168 26.083 -53.348 1.00 43.08 ? 389 LEU B CD2 1 ATOM 7230 N N . GLY B 1 392 ? -7.348 30.620 -53.678 1.00 41.23 ? 390 GLY B N 1 ATOM 7231 C CA . GLY B 1 392 ? -8.369 31.219 -52.842 1.00 31.38 ? 390 GLY B CA 1 ATOM 7232 C C . GLY B 1 392 ? -9.547 31.719 -53.660 1.00 36.90 ? 390 GLY B C 1 ATOM 7233 O O . GLY B 1 392 ? -10.703 31.546 -53.280 1.00 48.16 ? 390 GLY B O 1 ATOM 7234 N N . ASP B 1 393 ? -9.255 32.341 -54.795 1.00 38.57 ? 391 ASP B N 1 ATOM 7235 C CA . ASP B 1 393 ? -10.303 32.789 -55.710 1.00 39.32 ? 391 ASP B CA 1 ATOM 7236 C C . ASP B 1 393 ? -11.050 31.647 -56.399 1.00 44.40 ? 391 ASP B C 1 ATOM 7237 O O . ASP B 1 393 ? -12.269 31.716 -56.578 1.00 44.83 ? 391 ASP B O 1 ATOM 7238 C CB . ASP B 1 393 ? -9.727 33.739 -56.750 1.00 43.17 ? 391 ASP B CB 1 ATOM 7239 C CG . ASP B 1 393 ? -9.495 35.126 -56.188 1.00 52.48 ? 391 ASP B CG 1 ATOM 7240 O OD1 . ASP B 1 393 ? -10.311 35.549 -55.333 1.00 55.72 ? 391 ASP B OD1 1 ATOM 7241 O OD2 . ASP B 1 393 ? -8.506 35.780 -56.591 1.00 47.65 ? 391 ASP B OD2 1 ATOM 7242 N N . VAL B 1 394 ? -10.316 30.610 -56.797 1.00 37.47 ? 392 VAL B N 1 ATOM 7243 C CA . VAL B 1 394 ? -10.936 29.418 -57.342 1.00 34.48 ? 392 VAL B CA 1 ATOM 7244 C C . VAL B 1 394 ? -11.996 28.890 -56.367 1.00 33.55 ? 392 VAL B C 1 ATOM 7245 O O . VAL B 1 394 ? -13.138 28.616 -56.737 1.00 31.91 ? 392 VAL B O 1 ATOM 7246 C CB . VAL B 1 394 ? -9.890 28.336 -57.610 1.00 42.07 ? 392 VAL B CB 1 ATOM 7247 C CG1 . VAL B 1 394 ? -10.553 26.942 -57.687 1.00 39.83 ? 392 VAL B CG1 1 ATOM 7248 C CG2 . VAL B 1 394 ? -9.098 28.666 -58.889 1.00 35.61 ? 392 VAL B CG2 1 ATOM 7249 N N . VAL B 1 395 ? -11.619 28.792 -55.101 1.00 36.83 ? 393 VAL B N 1 ATOM 7250 C CA . VAL B 1 395 ? -12.511 28.242 -54.091 1.00 30.18 ? 393 VAL B CA 1 ATOM 7251 C C . VAL B 1 395 ? -13.666 29.196 -53.707 1.00 37.52 ? 393 VAL B C 1 ATOM 7252 O O . VAL B 1 395 ? -14.811 28.762 -53.541 1.00 34.96 ? 393 VAL B O 1 ATOM 7253 C CB . VAL B 1 395 ? -11.678 27.754 -52.915 1.00 36.91 ? 393 VAL B CB 1 ATOM 7254 C CG1 . VAL B 1 395 ? -12.534 27.501 -51.685 1.00 36.42 ? 393 VAL B CG1 1 ATOM 7255 C CG2 . VAL B 1 395 ? -10.902 26.485 -53.361 1.00 28.48 ? 393 VAL B CG2 1 ATOM 7256 N N . GLY B 1 396 ? -13.376 30.493 -53.618 1.00 34.30 ? 394 GLY B N 1 ATOM 7257 C CA . GLY B 1 396 ? -14.409 31.488 -53.383 1.00 39.10 ? 394 GLY B CA 1 ATOM 7258 C C . GLY B 1 396 ? -15.435 31.651 -54.504 1.00 40.49 ? 394 GLY B C 1 ATOM 7259 O O . GLY B 1 396 ? -16.641 31.695 -54.245 1.00 36.32 ? 394 GLY B O 1 ATOM 7260 N N . ASP B 1 397 ? -14.965 31.732 -55.748 1.00 32.02 ? 395 ASP B N 1 ATOM 7261 C CA . ASP B 1 397 ? -15.857 31.960 -56.885 1.00 29.52 ? 395 ASP B CA 1 ATOM 7262 C C . ASP B 1 397 ? -16.785 30.799 -57.124 1.00 34.08 ? 395 ASP B C 1 ATOM 7263 O O . ASP B 1 397 ? -17.986 30.986 -57.307 1.00 35.88 ? 395 ASP B O 1 ATOM 7264 C CB . ASP B 1 397 ? -15.063 32.244 -58.155 1.00 39.64 ? 395 ASP B CB 1 ATOM 7265 C CG . ASP B 1 397 ? -14.229 33.502 -58.043 1.00 43.19 ? 395 ASP B CG 1 ATOM 7266 O OD1 . ASP B 1 397 ? -14.599 34.413 -57.263 1.00 43.87 ? 395 ASP B OD1 1 ATOM 7267 O OD2 . ASP B 1 397 ? -13.199 33.577 -58.734 1.00 43.77 ? 395 ASP B OD2 1 ATOM 7268 N N . TYR B 1 398 ? -16.213 29.599 -57.116 1.00 33.42 ? 396 TYR B N 1 ATOM 7269 C CA . TYR B 1 398 ? -16.963 28.377 -57.354 1.00 35.63 ? 396 TYR B CA 1 ATOM 7270 C C . TYR B 1 398 ? -17.976 28.071 -56.252 1.00 35.53 ? 396 TYR B C 1 ATOM 7271 O O . TYR B 1 398 ? -19.123 27.720 -56.537 1.00 35.43 ? 396 TYR B O 1 ATOM 7272 C CB . TYR B 1 398 ? -16.000 27.194 -57.516 1.00 41.52 ? 396 TYR B CB 1 ATOM 7273 C CG . TYR B 1 398 ? -16.675 25.839 -57.663 1.00 39.65 ? 396 TYR B CG 1 ATOM 7274 C CD1 . TYR B 1 398 ? -17.517 25.570 -58.731 1.00 34.40 ? 396 TYR B CD1 1 ATOM 7275 C CD2 . TYR B 1 398 ? -16.459 24.831 -56.737 1.00 41.46 ? 396 TYR B CD2 1 ATOM 7276 C CE1 . TYR B 1 398 ? -18.118 24.348 -58.870 1.00 34.65 ? 396 TYR B CE1 1 ATOM 7277 C CE2 . TYR B 1 398 ? -17.063 23.595 -56.873 1.00 39.53 ? 396 TYR B CE2 1 ATOM 7278 C CZ . TYR B 1 398 ? -17.889 23.360 -57.946 1.00 40.33 ? 396 TYR B CZ 1 ATOM 7279 O OH . TYR B 1 398 ? -18.500 22.131 -58.094 1.00 50.03 ? 396 TYR B OH 1 ATOM 7280 N N . ASN B 1 399 ? -17.554 28.204 -54.997 1.00 32.52 ? 397 ASN B N 1 ATOM 7281 C CA . ASN B 1 399 ? -18.409 27.801 -53.886 1.00 32.36 ? 397 ASN B CA 1 ATOM 7282 C C . ASN B 1 399 ? -19.395 28.875 -53.394 1.00 35.12 ? 397 ASN B C 1 ATOM 7283 O O . ASN B 1 399 ? -20.460 28.548 -52.881 1.00 34.04 ? 397 ASN B O 1 ATOM 7284 C CB . ASN B 1 399 ? -17.575 27.242 -52.728 1.00 26.03 ? 397 ASN B CB 1 ATOM 7285 C CG . ASN B 1 399 ? -16.958 25.880 -53.051 1.00 33.79 ? 397 ASN B CG 1 ATOM 7286 O OD1 . ASN B 1 399 ? -17.662 24.881 -53.159 1.00 33.58 ? 397 ASN B OD1 1 ATOM 7287 N ND2 . ASN B 1 399 ? -15.637 25.838 -53.190 1.00 36.02 ? 397 ASN B ND2 1 ATOM 7288 N N . PHE B 1 400 ? -19.065 30.149 -53.570 1.00 33.60 ? 398 PHE B N 1 ATOM 7289 C CA . PHE B 1 400 ? -19.884 31.197 -52.955 1.00 31.96 ? 398 PHE B CA 1 ATOM 7290 C C . PHE B 1 400 ? -20.318 32.281 -53.920 1.00 31.13 ? 398 PHE B C 1 ATOM 7291 O O . PHE B 1 400 ? -21.504 32.437 -54.186 1.00 37.12 ? 398 PHE B O 1 ATOM 7292 C CB . PHE B 1 400 ? -19.170 31.792 -51.726 1.00 34.36 ? 398 PHE B CB 1 ATOM 7293 C CG . PHE B 1 400 ? -18.877 30.766 -50.648 1.00 39.05 ? 398 PHE B CG 1 ATOM 7294 C CD1 . PHE B 1 400 ? -19.872 30.362 -49.762 1.00 35.66 ? 398 PHE B CD1 1 ATOM 7295 C CD2 . PHE B 1 400 ? -17.615 30.189 -50.539 1.00 36.74 ? 398 PHE B CD2 1 ATOM 7296 C CE1 . PHE B 1 400 ? -19.606 29.396 -48.776 1.00 41.14 ? 398 PHE B CE1 1 ATOM 7297 C CE2 . PHE B 1 400 ? -17.344 29.217 -49.558 1.00 38.42 ? 398 PHE B CE2 1 ATOM 7298 C CZ . PHE B 1 400 ? -18.334 28.819 -48.679 1.00 29.32 ? 398 PHE B CZ 1 ATOM 7299 N N . ILE B 1 401 ? -19.345 33.007 -54.459 1.00 39.80 ? 399 ILE B N 1 ATOM 7300 C CA . ILE B 1 401 ? -19.605 34.199 -55.255 1.00 40.15 ? 399 ILE B CA 1 ATOM 7301 C C . ILE B 1 401 ? -20.444 33.932 -56.503 1.00 42.72 ? 399 ILE B C 1 ATOM 7302 O O . ILE B 1 401 ? -21.514 34.509 -56.652 1.00 51.39 ? 399 ILE B O 1 ATOM 7303 C CB . ILE B 1 401 ? -18.301 34.881 -55.656 1.00 39.46 ? 399 ILE B CB 1 ATOM 7304 C CG1 . ILE B 1 401 ? -17.574 35.363 -54.404 1.00 42.43 ? 399 ILE B CG1 1 ATOM 7305 C CG2 . ILE B 1 401 ? -18.578 36.015 -56.648 1.00 36.39 ? 399 ILE B CG2 1 ATOM 7306 C CD1 . ILE B 1 401 ? -16.198 35.952 -54.691 1.00 49.87 ? 399 ILE B CD1 1 ATOM 7307 N N . CYS B 1 402 ? -19.968 33.059 -57.388 1.00 36.51 ? 400 CYS B N 1 ATOM 7308 C CA . CYS B 1 402 ? -20.714 32.728 -58.602 1.00 39.20 ? 400 CYS B CA 1 ATOM 7309 C C . CYS B 1 402 ? -22.117 32.134 -58.352 1.00 41.16 ? 400 CYS B C 1 ATOM 7310 O O . CYS B 1 402 ? -23.078 32.537 -59.005 1.00 41.02 ? 400 CYS B O 1 ATOM 7311 C CB . CYS B 1 402 ? -19.881 31.865 -59.560 1.00 41.36 ? 400 CYS B CB 1 ATOM 7312 S SG . CYS B 1 402 ? -18.349 32.678 -60.080 1.00 55.98 ? 400 CYS B SG 1 ATOM 7313 N N . PRO B 1 403 ? -22.246 31.187 -57.412 1.00 43.00 ? 401 PRO B N 1 ATOM 7314 C CA . PRO B 1 403 ? -23.623 30.807 -57.071 1.00 48.09 ? 401 PRO B CA 1 ATOM 7315 C C . PRO B 1 403 ? -24.510 31.986 -56.611 1.00 46.31 ? 401 PRO B C 1 ATOM 7316 O O . PRO B 1 403 ? -25.667 32.078 -57.039 1.00 41.40 ? 401 PRO B O 1 ATOM 7317 C CB . PRO B 1 403 ? -23.429 29.805 -55.935 1.00 40.44 ? 401 PRO B CB 1 ATOM 7318 C CG . PRO B 1 403 ? -22.115 29.171 -56.248 1.00 46.70 ? 401 PRO B CG 1 ATOM 7319 C CD . PRO B 1 403 ? -21.259 30.257 -56.832 1.00 44.21 ? 401 PRO B CD 1 ATOM 7320 N N . ALA B 1 404 ? -23.985 32.862 -55.758 1.00 37.99 ? 402 ALA B N 1 ATOM 7321 C CA . ALA B 1 404 ? -24.755 34.013 -55.266 1.00 38.49 ? 402 ALA B CA 1 ATOM 7322 C C . ALA B 1 404 ? -25.235 34.962 -56.391 1.00 46.37 ? 402 ALA B C 1 ATOM 7323 O O . ALA B 1 404 ? -26.404 35.363 -56.427 1.00 46.85 ? 402 ALA B O 1 ATOM 7324 C CB . ALA B 1 404 ? -23.961 34.771 -54.213 1.00 32.71 ? 402 ALA B CB 1 ATOM 7325 N N . LEU B 1 405 ? -24.342 35.302 -57.318 1.00 50.31 ? 403 LEU B N 1 ATOM 7326 C CA . LEU B 1 405 ? -24.717 36.123 -58.469 1.00 51.80 ? 403 LEU B CA 1 ATOM 7327 C C . LEU B 1 405 ? -25.715 35.410 -59.353 1.00 56.62 ? 403 LEU B C 1 ATOM 7328 O O . LEU B 1 405 ? -26.642 36.017 -59.882 1.00 68.09 ? 403 LEU B O 1 ATOM 7329 C CB . LEU B 1 405 ? -23.491 36.469 -59.312 1.00 46.28 ? 403 LEU B CB 1 ATOM 7330 C CG . LEU B 1 405 ? -22.519 37.460 -58.696 1.00 41.18 ? 403 LEU B CG 1 ATOM 7331 C CD1 . LEU B 1 405 ? -21.172 37.307 -59.338 1.00 31.75 ? 403 LEU B CD1 1 ATOM 7332 C CD2 . LEU B 1 405 ? -23.067 38.863 -58.876 1.00 35.14 ? 403 LEU B CD2 1 ATOM 7333 N N . GLU B 1 406 ? -25.505 34.114 -59.534 1.00 54.02 ? 404 GLU B N 1 ATOM 7334 C CA . GLU B 1 406 ? -26.314 33.354 -60.473 1.00 50.42 ? 404 GLU B CA 1 ATOM 7335 C C . GLU B 1 406 ? -27.724 33.222 -59.904 1.00 47.26 ? 404 GLU B C 1 ATOM 7336 O O . GLU B 1 406 ? -28.705 33.291 -60.636 1.00 57.22 ? 404 GLU B O 1 ATOM 7337 C CB . GLU B 1 406 ? -25.660 31.996 -60.771 1.00 43.75 ? 404 GLU B CB 1 ATOM 7338 C CG . GLU B 1 406 ? -26.238 31.233 -61.941 1.00 55.61 ? 404 GLU B CG 1 ATOM 7339 C CD . GLU B 1 406 ? -26.102 31.961 -63.267 1.00 70.49 ? 404 GLU B CD 1 ATOM 7340 O OE1 . GLU B 1 406 ? -25.271 32.892 -63.378 1.00 72.04 ? 404 GLU B OE1 1 ATOM 7341 O OE2 . GLU B 1 406 ? -26.835 31.588 -64.205 1.00 75.60 ? 404 GLU B OE2 1 ATOM 7342 N N . PHE B 1 407 ? -27.816 33.085 -58.589 1.00 44.07 ? 405 PHE B N 1 ATOM 7343 C CA . PHE B 1 407 ? -29.105 33.051 -57.908 1.00 48.42 ? 405 PHE B CA 1 ATOM 7344 C C . PHE B 1 407 ? -29.835 34.374 -58.087 1.00 52.14 ? 405 PHE B C 1 ATOM 7345 O O . PHE B 1 407 ? -31.009 34.405 -58.454 1.00 57.00 ? 405 PHE B O 1 ATOM 7346 C CB . PHE B 1 407 ? -28.924 32.763 -56.408 1.00 45.18 ? 405 PHE B CB 1 ATOM 7347 C CG . PHE B 1 407 ? -30.203 32.857 -55.615 1.00 50.11 ? 405 PHE B CG 1 ATOM 7348 C CD1 . PHE B 1 407 ? -31.109 31.806 -55.605 1.00 53.48 ? 405 PHE B CD1 1 ATOM 7349 C CD2 . PHE B 1 407 ? -30.502 33.992 -54.883 1.00 50.06 ? 405 PHE B CD2 1 ATOM 7350 C CE1 . PHE B 1 407 ? -32.287 31.890 -54.883 1.00 45.23 ? 405 PHE B CE1 1 ATOM 7351 C CE2 . PHE B 1 407 ? -31.676 34.081 -54.166 1.00 49.13 ? 405 PHE B CE2 1 ATOM 7352 C CZ . PHE B 1 407 ? -32.568 33.029 -54.168 1.00 45.31 ? 405 PHE B CZ 1 ATOM 7353 N N . THR B 1 408 ? -29.126 35.467 -57.828 1.00 42.23 ? 406 THR B N 1 ATOM 7354 C CA . THR B 1 408 ? -29.727 36.787 -57.883 1.00 46.99 ? 406 THR B CA 1 ATOM 7355 C C . THR B 1 408 ? -30.239 37.137 -59.295 1.00 48.77 ? 406 THR B C 1 ATOM 7356 O O . THR B 1 408 ? -31.327 37.693 -59.426 1.00 51.66 ? 406 THR B O 1 ATOM 7357 C CB . THR B 1 408 ? -28.766 37.862 -57.314 1.00 58.41 ? 406 THR B CB 1 ATOM 7358 O OG1 . THR B 1 408 ? -28.303 37.435 -56.029 1.00 54.48 ? 406 THR B OG1 1 ATOM 7359 C CG2 . THR B 1 408 ? -29.464 39.183 -57.147 1.00 58.51 ? 406 THR B CG2 1 ATOM 7360 N N . LYS B 1 409 ? -29.484 36.781 -60.336 1.00 44.84 ? 407 LYS B N 1 ATOM 7361 C CA . LYS B 1 409 ? -29.929 37.002 -61.721 1.00 53.30 ? 407 LYS B CA 1 ATOM 7362 C C . LYS B 1 409 ? -31.288 36.354 -62.007 1.00 64.80 ? 407 LYS B C 1 ATOM 7363 O O . LYS B 1 409 ? -32.205 37.010 -62.506 1.00 70.44 ? 407 LYS B O 1 ATOM 7364 C CB . LYS B 1 409 ? -28.901 36.492 -62.744 1.00 44.50 ? 407 LYS B CB 1 ATOM 7365 C CG . LYS B 1 409 ? -27.592 37.255 -62.771 1.00 57.18 ? 407 LYS B CG 1 ATOM 7366 C CD . LYS B 1 409 ? -26.556 36.551 -63.638 1.00 67.74 ? 407 LYS B CD 1 ATOM 7367 C CE . LYS B 1 409 ? -27.139 36.105 -64.968 1.00 77.37 ? 407 LYS B CE 1 ATOM 7368 N NZ . LYS B 1 409 ? -27.382 37.252 -65.896 1.00 93.74 ? 407 LYS B NZ 1 ATOM 7369 N N . LYS B 1 410 ? -31.406 35.067 -61.690 1.00 64.08 ? 408 LYS B N 1 ATOM 7370 C CA . LYS B 1 410 ? -32.627 34.311 -61.953 1.00 63.57 ? 408 LYS B CA 1 ATOM 7371 C C . LYS B 1 410 ? -33.797 34.801 -61.108 1.00 63.44 ? 408 LYS B C 1 ATOM 7372 O O . LYS B 1 410 ? -34.903 34.995 -61.608 1.00 71.18 ? 408 LYS B O 1 ATOM 7373 C CB . LYS B 1 410 ? -32.395 32.821 -61.704 1.00 62.48 ? 408 LYS B CB 1 ATOM 7374 C CG . LYS B 1 410 ? -31.383 32.199 -62.641 1.00 67.09 ? 408 LYS B CG 1 ATOM 7375 C CD . LYS B 1 410 ? -31.340 30.687 -62.484 1.00 76.10 ? 408 LYS B CD 1 ATOM 7376 C CE . LYS B 1 410 ? -30.493 30.060 -63.578 1.00 85.38 ? 408 LYS B CE 1 ATOM 7377 N NZ . LYS B 1 410 ? -30.904 30.560 -64.927 1.00 90.41 ? 408 LYS B NZ 1 ATOM 7378 N N . PHE B 1 411 ? -33.546 34.990 -59.821 1.00 58.29 ? 409 PHE B N 1 ATOM 7379 C CA . PHE B 1 411 ? -34.552 35.547 -58.933 1.00 58.93 ? 409 PHE B CA 1 ATOM 7380 C C . PHE B 1 411 ? -35.055 36.900 -59.446 1.00 65.53 ? 409 PHE B C 1 ATOM 7381 O O . PHE B 1 411 ? -36.259 37.120 -59.518 1.00 78.99 ? 409 PHE B O 1 ATOM 7382 C CB . PHE B 1 411 ? -34.000 35.678 -57.508 1.00 54.35 ? 409 PHE B CB 1 ATOM 7383 C CG . PHE B 1 411 ? -35.052 35.959 -56.477 1.00 54.93 ? 409 PHE B CG 1 ATOM 7384 C CD1 . PHE B 1 411 ? -35.737 34.923 -55.870 1.00 54.56 ? 409 PHE B CD1 1 ATOM 7385 C CD2 . PHE B 1 411 ? -35.370 37.262 -56.126 1.00 56.64 ? 409 PHE B CD2 1 ATOM 7386 C CE1 . PHE B 1 411 ? -36.716 35.179 -54.920 1.00 56.97 ? 409 PHE B CE1 1 ATOM 7387 C CE2 . PHE B 1 411 ? -36.342 37.526 -55.173 1.00 56.55 ? 409 PHE B CE2 1 ATOM 7388 C CZ . PHE B 1 411 ? -37.022 36.487 -54.575 1.00 58.08 ? 409 PHE B CZ 1 ATOM 7389 N N . SER B 1 412 ? -34.147 37.799 -59.821 1.00 56.53 ? 410 SER B N 1 ATOM 7390 C CA . SER B 1 412 ? -34.567 39.121 -60.281 1.00 59.98 ? 410 SER B CA 1 ATOM 7391 C C . SER B 1 412 ? -35.257 39.071 -61.646 1.00 66.69 ? 410 SER B C 1 ATOM 7392 O O . SER B 1 412 ? -36.024 39.962 -61.984 1.00 68.22 ? 410 SER B O 1 ATOM 7393 C CB . SER B 1 412 ? -33.399 40.118 -60.291 1.00 56.15 ? 410 SER B CB 1 ATOM 7394 O OG . SER B 1 412 ? -32.465 39.831 -61.313 1.00 57.83 ? 410 SER B OG 1 ATOM 7395 N N . GLU B 1 413 ? -34.999 38.016 -62.415 1.00 69.72 ? 411 GLU B N 1 ATOM 7396 C CA . GLU B 1 413 ? -35.594 37.868 -63.744 1.00 78.30 ? 411 GLU B CA 1 ATOM 7397 C C . GLU B 1 413 ? -37.110 37.613 -63.693 1.00 81.31 ? 411 GLU B C 1 ATOM 7398 O O . GLU B 1 413 ? -37.788 37.637 -64.717 1.00 89.03 ? 411 GLU B O 1 ATOM 7399 C CB . GLU B 1 413 ? -34.862 36.776 -64.542 1.00 79.80 ? 411 GLU B CB 1 ATOM 7400 C CG . GLU B 1 413 ? -35.253 36.648 -66.020 1.00 95.71 ? 411 GLU B CG 1 ATOM 7401 C CD . GLU B 1 413 ? -35.056 37.932 -66.829 1.00 112.25 ? 411 GLU B CD 1 ATOM 7402 O OE1 . GLU B 1 413 ? -35.904 38.847 -66.738 1.00 113.72 ? 411 GLU B OE1 1 ATOM 7403 O OE2 . GLU B 1 413 ? -34.059 38.016 -67.579 1.00 120.58 ? 411 GLU B OE2 1 ATOM 7404 N N . TRP B 1 414 ? -37.641 37.382 -62.497 1.00 80.32 ? 412 TRP B N 1 ATOM 7405 C CA . TRP B 1 414 ? -39.081 37.202 -62.316 1.00 74.65 ? 412 TRP B CA 1 ATOM 7406 C C . TRP B 1 414 ? -39.722 38.455 -61.721 1.00 72.63 ? 412 TRP B C 1 ATOM 7407 O O . TRP B 1 414 ? -40.803 38.403 -61.131 1.00 75.23 ? 412 TRP B O 1 ATOM 7408 C CB . TRP B 1 414 ? -39.389 35.963 -61.459 1.00 68.97 ? 412 TRP B CB 1 ATOM 7409 C CG . TRP B 1 414 ? -39.165 34.666 -62.201 1.00 69.76 ? 412 TRP B CG 1 ATOM 7410 C CD1 . TRP B 1 414 ? -38.003 33.942 -62.260 1.00 66.24 ? 412 TRP B CD1 1 ATOM 7411 C CD2 . TRP B 1 414 ? -40.121 33.952 -62.999 1.00 74.24 ? 412 TRP B CD2 1 ATOM 7412 N NE1 . TRP B 1 414 ? -38.179 32.828 -63.043 1.00 68.56 ? 412 TRP B NE1 1 ATOM 7413 C CE2 . TRP B 1 414 ? -39.469 32.809 -63.509 1.00 76.10 ? 412 TRP B CE2 1 ATOM 7414 C CE3 . TRP B 1 414 ? -41.466 34.167 -63.331 1.00 80.96 ? 412 TRP B CE3 1 ATOM 7415 C CZ2 . TRP B 1 414 ? -40.117 31.883 -64.334 1.00 81.30 ? 412 TRP B CZ2 1 ATOM 7416 C CZ3 . TRP B 1 414 ? -42.106 33.247 -64.153 1.00 81.67 ? 412 TRP B CZ3 1 ATOM 7417 C CH2 . TRP B 1 414 ? -41.431 32.123 -64.645 1.00 83.49 ? 412 TRP B CH2 1 ATOM 7418 N N . GLY B 1 415 ? -39.040 39.581 -61.878 1.00 65.21 ? 413 GLY B N 1 ATOM 7419 C CA . GLY B 1 415 ? -39.591 40.860 -61.477 1.00 65.28 ? 413 GLY B CA 1 ATOM 7420 C C . GLY B 1 415 ? -39.626 41.077 -59.986 1.00 65.37 ? 413 GLY B C 1 ATOM 7421 O O . GLY B 1 415 ? -40.640 41.483 -59.424 1.00 73.43 ? 413 GLY B O 1 ATOM 7422 N N . ASN B 1 416 ? -38.502 40.808 -59.344 1.00 66.70 ? 414 ASN B N 1 ATOM 7423 C CA . ASN B 1 416 ? -38.372 41.039 -57.920 1.00 66.10 ? 414 ASN B CA 1 ATOM 7424 C C . ASN B 1 416 ? -37.210 41.967 -57.689 1.00 62.59 ? 414 ASN B C 1 ATOM 7425 O O . ASN B 1 416 ? -36.164 41.833 -58.322 1.00 64.94 ? 414 ASN B O 1 ATOM 7426 C CB . ASN B 1 416 ? -38.116 39.724 -57.173 1.00 68.40 ? 414 ASN B CB 1 ATOM 7427 C CG . ASN B 1 416 ? -39.280 38.751 -57.269 1.00 72.67 ? 414 ASN B CG 1 ATOM 7428 O OD1 . ASN B 1 416 ? -40.321 38.944 -56.637 1.00 79.77 ? 414 ASN B OD1 1 ATOM 7429 N ND2 . ASN B 1 416 ? -39.102 37.691 -58.048 1.00 67.48 ? 414 ASN B ND2 1 ATOM 7430 N N . ASN B 1 417 ? -37.386 42.912 -56.779 1.00 63.23 ? 415 ASN B N 1 ATOM 7431 C CA . ASN B 1 417 ? -36.283 43.769 -56.385 1.00 64.89 ? 415 ASN B CA 1 ATOM 7432 C C . ASN B 1 417 ? -35.191 42.992 -55.673 1.00 63.36 ? 415 ASN B C 1 ATOM 7433 O O . ASN B 1 417 ? -35.442 42.319 -54.671 1.00 54.15 ? 415 ASN B O 1 ATOM 7434 C CB . ASN B 1 417 ? -36.781 44.908 -55.509 1.00 65.38 ? 415 ASN B CB 1 ATOM 7435 C CG . ASN B 1 417 ? -37.492 45.970 -56.307 1.00 66.82 ? 415 ASN B CG 1 ATOM 7436 O OD1 . ASN B 1 417 ? -37.950 45.719 -57.426 1.00 58.78 ? 415 ASN B OD1 1 ATOM 7437 N ND2 . ASN B 1 417 ? -37.573 47.172 -55.748 1.00 67.40 ? 415 ASN B ND2 1 ATOM 7438 N N . ALA B 1 418 ? -33.982 43.086 -56.211 1.00 65.92 ? 416 ALA B N 1 ATOM 7439 C CA . ALA B 1 418 ? -32.824 42.426 -55.632 1.00 59.73 ? 416 ALA B CA 1 ATOM 7440 C C . ALA B 1 418 ? -31.735 43.454 -55.395 1.00 60.28 ? 416 ALA B C 1 ATOM 7441 O O . ALA B 1 418 ? -31.509 44.333 -56.225 1.00 62.00 ? 416 ALA B O 1 ATOM 7442 C CB . ALA B 1 418 ? -32.323 41.316 -56.558 1.00 50.07 ? 416 ALA B CB 1 ATOM 7443 N N . PHE B 1 419 ? -31.067 43.345 -54.253 1.00 56.34 ? 417 PHE B N 1 ATOM 7444 C CA . PHE B 1 419 ? -29.951 44.218 -53.937 1.00 47.88 ? 417 PHE B CA 1 ATOM 7445 C C . PHE B 1 419 ? -28.720 43.375 -53.631 1.00 46.91 ? 417 PHE B C 1 ATOM 7446 O O . PHE B 1 419 ? -28.760 42.497 -52.772 1.00 48.11 ? 417 PHE B O 1 ATOM 7447 C CB . PHE B 1 419 ? -30.311 45.099 -52.752 1.00 55.47 ? 417 PHE B CB 1 ATOM 7448 C CG . PHE B 1 419 ? -31.540 45.917 -52.974 1.00 66.20 ? 417 PHE B CG 1 ATOM 7449 C CD1 . PHE B 1 419 ? -31.458 47.157 -53.590 1.00 68.26 ? 417 PHE B CD1 1 ATOM 7450 C CD2 . PHE B 1 419 ? -32.781 45.444 -52.583 1.00 68.56 ? 417 PHE B CD2 1 ATOM 7451 C CE1 . PHE B 1 419 ? -32.594 47.919 -53.804 1.00 69.78 ? 417 PHE B CE1 1 ATOM 7452 C CE2 . PHE B 1 419 ? -33.919 46.198 -52.798 1.00 76.37 ? 417 PHE B CE2 1 ATOM 7453 C CZ . PHE B 1 419 ? -33.827 47.442 -53.412 1.00 71.80 ? 417 PHE B CZ 1 ATOM 7454 N N . PHE B 1 420 ? -27.630 43.644 -54.338 1.00 44.23 ? 418 PHE B N 1 ATOM 7455 C CA . PHE B 1 420 ? -26.406 42.867 -54.185 1.00 47.28 ? 418 PHE B CA 1 ATOM 7456 C C . PHE B 1 420 ? -25.265 43.694 -53.603 1.00 46.44 ? 418 PHE B C 1 ATOM 7457 O O . PHE B 1 420 ? -25.018 44.811 -54.046 1.00 48.66 ? 418 PHE B O 1 ATOM 7458 C CB . PHE B 1 420 ? -25.970 42.268 -55.527 1.00 48.64 ? 418 PHE B CB 1 ATOM 7459 C CG . PHE B 1 420 ? -25.091 41.047 -55.389 1.00 48.58 ? 418 PHE B CG 1 ATOM 7460 C CD1 . PHE B 1 420 ? -23.728 41.172 -55.151 1.00 45.37 ? 418 PHE B CD1 1 ATOM 7461 C CD2 . PHE B 1 420 ? -25.633 39.773 -55.496 1.00 44.73 ? 418 PHE B CD2 1 ATOM 7462 C CE1 . PHE B 1 420 ? -22.919 40.050 -55.024 1.00 44.89 ? 418 PHE B CE1 1 ATOM 7463 C CE2 . PHE B 1 420 ? -24.830 38.639 -55.376 1.00 40.82 ? 418 PHE B CE2 1 ATOM 7464 C CZ . PHE B 1 420 ? -23.469 38.777 -55.136 1.00 37.20 ? 418 PHE B CZ 1 ATOM 7465 N N . TYR B 1 421 ? -24.562 43.136 -52.622 1.00 42.20 ? 419 TYR B N 1 ATOM 7466 C CA . TYR B 1 421 ? -23.435 43.830 -52.010 1.00 38.92 ? 419 TYR B CA 1 ATOM 7467 C C . TYR B 1 421 ? -22.126 43.055 -52.168 1.00 41.74 ? 419 TYR B C 1 ATOM 7468 O O . TYR B 1 421 ? -22.122 41.848 -52.381 1.00 47.30 ? 419 TYR B O 1 ATOM 7469 C CB . TYR B 1 421 ? -23.703 44.138 -50.530 1.00 36.39 ? 419 TYR B CB 1 ATOM 7470 C CG . TYR B 1 421 ? -23.650 42.926 -49.605 1.00 41.00 ? 419 TYR B CG 1 ATOM 7471 C CD1 . TYR B 1 421 ? -22.438 42.455 -49.091 1.00 37.50 ? 419 TYR B CD1 1 ATOM 7472 C CD2 . TYR B 1 421 ? -24.815 42.267 -49.229 1.00 41.50 ? 419 TYR B CD2 1 ATOM 7473 C CE1 . TYR B 1 421 ? -22.390 41.349 -48.250 1.00 33.29 ? 419 TYR B CE1 1 ATOM 7474 C CE2 . TYR B 1 421 ? -24.773 41.166 -48.384 1.00 43.58 ? 419 TYR B CE2 1 ATOM 7475 C CZ . TYR B 1 421 ? -23.565 40.716 -47.909 1.00 37.61 ? 419 TYR B CZ 1 ATOM 7476 O OH . TYR B 1 421 ? -23.552 39.641 -47.079 1.00 39.84 ? 419 TYR B OH 1 ATOM 7477 N N . TYR B 1 422 ? -21.016 43.768 -52.043 1.00 45.24 ? 420 TYR B N 1 ATOM 7478 C CA . TYR B 1 422 ? -19.697 43.172 -52.102 1.00 41.93 ? 420 TYR B CA 1 ATOM 7479 C C . TYR B 1 422 ? -18.907 43.721 -50.924 1.00 48.32 ? 420 TYR B C 1 ATOM 7480 O O . TYR B 1 422 ? -18.395 44.832 -50.975 1.00 48.40 ? 420 TYR B O 1 ATOM 7481 C CB . TYR B 1 422 ? -19.011 43.538 -53.420 1.00 42.86 ? 420 TYR B CB 1 ATOM 7482 C CG . TYR B 1 422 ? -17.718 42.798 -53.683 1.00 50.46 ? 420 TYR B CG 1 ATOM 7483 C CD1 . TYR B 1 422 ? -17.680 41.415 -53.698 1.00 51.08 ? 420 TYR B CD1 1 ATOM 7484 C CD2 . TYR B 1 422 ? -16.539 43.483 -53.938 1.00 56.94 ? 420 TYR B CD2 1 ATOM 7485 C CE1 . TYR B 1 422 ? -16.503 40.735 -53.947 1.00 51.63 ? 420 TYR B CE1 1 ATOM 7486 C CE2 . TYR B 1 422 ? -15.355 42.809 -54.201 1.00 46.44 ? 420 TYR B CE2 1 ATOM 7487 C CZ . TYR B 1 422 ? -15.347 41.436 -54.198 1.00 48.10 ? 420 TYR B CZ 1 ATOM 7488 O OH . TYR B 1 422 ? -14.178 40.754 -54.444 1.00 47.27 ? 420 TYR B OH 1 ATOM 7489 N N . PHE B 1 423 ? -18.824 42.930 -49.863 1.00 47.22 ? 421 PHE B N 1 ATOM 7490 C CA . PHE B 1 423 ? -18.167 43.325 -48.628 1.00 40.60 ? 421 PHE B CA 1 ATOM 7491 C C . PHE B 1 423 ? -16.638 43.196 -48.731 1.00 39.50 ? 421 PHE B C 1 ATOM 7492 O O . PHE B 1 423 ? -16.116 42.104 -48.920 1.00 48.02 ? 421 PHE B O 1 ATOM 7493 C CB . PHE B 1 423 ? -18.714 42.472 -47.472 1.00 35.02 ? 421 PHE B CB 1 ATOM 7494 C CG . PHE B 1 423 ? -18.231 42.899 -46.127 1.00 37.46 ? 421 PHE B CG 1 ATOM 7495 C CD1 . PHE B 1 423 ? -18.849 43.933 -45.458 1.00 43.09 ? 421 PHE B CD1 1 ATOM 7496 C CD2 . PHE B 1 423 ? -17.143 42.277 -45.533 1.00 39.95 ? 421 PHE B CD2 1 ATOM 7497 C CE1 . PHE B 1 423 ? -18.391 44.348 -44.224 1.00 47.31 ? 421 PHE B CE1 1 ATOM 7498 C CE2 . PHE B 1 423 ? -16.684 42.681 -44.291 1.00 34.90 ? 421 PHE B CE2 1 ATOM 7499 C CZ . PHE B 1 423 ? -17.307 43.709 -43.638 1.00 48.22 ? 421 PHE B CZ 1 ATOM 7500 N N . GLU B 1 424 ? -15.934 44.315 -48.577 1.00 43.88 ? 422 GLU B N 1 ATOM 7501 C CA . GLU B 1 424 ? -14.498 44.401 -48.854 1.00 47.68 ? 422 GLU B CA 1 ATOM 7502 C C . GLU B 1 424 ? -13.643 44.834 -47.657 1.00 48.97 ? 422 GLU B C 1 ATOM 7503 O O . GLU B 1 424 ? -12.444 45.059 -47.803 1.00 50.60 ? 422 GLU B O 1 ATOM 7504 C CB . GLU B 1 424 ? -14.257 45.431 -49.965 1.00 56.97 ? 422 GLU B CB 1 ATOM 7505 C CG . GLU B 1 424 ? -14.906 45.123 -51.299 1.00 68.40 ? 422 GLU B CG 1 ATOM 7506 C CD . GLU B 1 424 ? -14.673 46.228 -52.330 1.00 71.88 ? 422 GLU B CD 1 ATOM 7507 O OE1 . GLU B 1 424 ? -15.117 47.375 -52.099 1.00 66.95 ? 422 GLU B OE1 1 ATOM 7508 O OE2 . GLU B 1 424 ? -14.051 45.943 -53.376 1.00 72.06 ? 422 GLU B OE2 1 ATOM 7509 N N . HIS B 1 425 ? -14.246 45.004 -46.488 1.00 50.76 ? 423 HIS B N 1 ATOM 7510 C CA . HIS B 1 425 ? -13.480 45.488 -45.344 1.00 47.93 ? 423 HIS B CA 1 ATOM 7511 C C . HIS B 1 425 ? -12.980 44.344 -44.454 1.00 43.66 ? 423 HIS B C 1 ATOM 7512 O O . HIS B 1 425 ? -13.746 43.460 -44.090 1.00 35.49 ? 423 HIS B O 1 ATOM 7513 C CB . HIS B 1 425 ? -14.289 46.490 -44.521 1.00 50.72 ? 423 HIS B CB 1 ATOM 7514 C CG . HIS B 1 425 ? -13.571 46.975 -43.301 1.00 56.75 ? 423 HIS B CG 1 ATOM 7515 N ND1 . HIS B 1 425 ? -12.515 47.860 -43.362 1.00 56.94 ? 423 HIS B ND1 1 ATOM 7516 C CD2 . HIS B 1 425 ? -13.733 46.672 -41.991 1.00 55.29 ? 423 HIS B CD2 1 ATOM 7517 C CE1 . HIS B 1 425 ? -12.065 48.088 -42.141 1.00 59.61 ? 423 HIS B CE1 1 ATOM 7518 N NE2 . HIS B 1 425 ? -12.786 47.380 -41.291 1.00 55.90 ? 423 HIS B NE2 1 ATOM 7519 N N . ARG B 1 426 ? -11.687 44.369 -44.136 1.00 44.82 ? 424 ARG B N 1 ATOM 7520 C CA . ARG B 1 426 ? -11.076 43.393 -43.239 1.00 44.66 ? 424 ARG B CA 1 ATOM 7521 C C . ARG B 1 426 ? -11.011 43.938 -41.824 1.00 47.29 ? 424 ARG B C 1 ATOM 7522 O O . ARG B 1 426 ? -10.354 44.950 -41.569 1.00 50.59 ? 424 ARG B O 1 ATOM 7523 C CB . ARG B 1 426 ? -9.663 43.017 -43.696 1.00 45.34 ? 424 ARG B CB 1 ATOM 7524 C CG . ARG B 1 426 ? -9.068 41.854 -42.889 1.00 48.34 ? 424 ARG B CG 1 ATOM 7525 C CD . ARG B 1 426 ? -7.608 41.595 -43.238 1.00 48.41 ? 424 ARG B CD 1 ATOM 7526 N NE . ARG B 1 426 ? -6.793 41.333 -42.051 1.00 52.17 ? 424 ARG B NE 1 ATOM 7527 C CZ . ARG B 1 426 ? -6.470 40.122 -41.602 1.00 56.29 ? 424 ARG B CZ 1 ATOM 7528 N NH1 . ARG B 1 426 ? -6.887 39.028 -42.244 1.00 64.12 ? 424 ARG B NH1 1 ATOM 7529 N NH2 . ARG B 1 426 ? -5.726 40.005 -40.508 1.00 41.98 ? 424 ARG B NH2 1 ATOM 7530 N N . SER B 1 427 ? -11.690 43.260 -40.906 1.00 45.72 ? 425 SER B N 1 ATOM 7531 C CA . SER B 1 427 ? -11.757 43.706 -39.523 1.00 49.21 ? 425 SER B CA 1 ATOM 7532 C C . SER B 1 427 ? -10.364 43.878 -38.932 1.00 55.53 ? 425 SER B C 1 ATOM 7533 O O . SER B 1 427 ? -9.477 43.058 -39.153 1.00 56.35 ? 425 SER B O 1 ATOM 7534 C CB . SER B 1 427 ? -12.562 42.723 -38.679 1.00 46.68 ? 425 SER B CB 1 ATOM 7535 O OG . SER B 1 427 ? -12.476 43.067 -37.309 1.00 43.88 ? 425 SER B OG 1 ATOM 7536 N N . SER B 1 428 ? -10.172 44.956 -38.185 1.00 55.52 ? 426 SER B N 1 ATOM 7537 C CA . SER B 1 428 ? -8.878 45.218 -37.575 1.00 54.26 ? 426 SER B CA 1 ATOM 7538 C C . SER B 1 428 ? -8.592 44.227 -36.440 1.00 56.00 ? 426 SER B C 1 ATOM 7539 O O . SER B 1 428 ? -7.473 44.152 -35.940 1.00 60.80 ? 426 SER B O 1 ATOM 7540 C CB . SER B 1 428 ? -8.837 46.651 -37.055 1.00 50.10 ? 426 SER B CB 1 ATOM 7541 O OG . SER B 1 428 ? -9.822 46.835 -36.054 1.00 59.70 ? 426 SER B OG 1 ATOM 7542 N N . LYS B 1 429 ? -9.614 43.471 -36.046 1.00 52.67 ? 427 LYS B N 1 ATOM 7543 C CA . LYS B 1 429 ? -9.508 42.483 -34.974 1.00 58.18 ? 427 LYS B CA 1 ATOM 7544 C C . LYS B 1 429 ? -9.362 41.029 -35.479 1.00 61.69 ? 427 LYS B C 1 ATOM 7545 O O . LYS B 1 429 ? -9.188 40.115 -34.669 1.00 63.83 ? 427 LYS B O 1 ATOM 7546 C CB . LYS B 1 429 ? -10.754 42.539 -34.078 1.00 54.16 ? 427 LYS B CB 1 ATOM 7547 C CG . LYS B 1 429 ? -10.789 43.625 -33.045 1.00 58.58 ? 427 LYS B CG 1 ATOM 7548 C CD . LYS B 1 429 ? -12.195 43.745 -32.457 1.00 57.98 ? 427 LYS B CD 1 ATOM 7549 C CE . LYS B 1 429 ? -12.587 42.538 -31.613 1.00 56.41 ? 427 LYS B CE 1 ATOM 7550 N NZ . LYS B 1 429 ? -11.873 42.509 -30.306 1.00 64.92 ? 427 LYS B NZ 1 ATOM 7551 N N . LEU B 1 430 ? -9.453 40.820 -36.792 1.00 52.94 ? 428 LEU B N 1 ATOM 7552 C CA . LEU B 1 430 ? -9.457 39.479 -37.393 1.00 48.83 ? 428 LEU B CA 1 ATOM 7553 C C . LEU B 1 430 ? -8.225 38.655 -36.987 1.00 43.76 ? 428 LEU B C 1 ATOM 7554 O O . LEU B 1 430 ? -7.098 39.020 -37.305 1.00 49.46 ? 428 LEU B O 1 ATOM 7555 C CB . LEU B 1 430 ? -9.580 39.603 -38.921 1.00 52.13 ? 428 LEU B CB 1 ATOM 7556 C CG . LEU B 1 430 ? -9.851 38.412 -39.851 1.00 52.29 ? 428 LEU B CG 1 ATOM 7557 C CD1 . LEU B 1 430 ? -10.658 37.341 -39.186 1.00 49.00 ? 428 LEU B CD1 1 ATOM 7558 C CD2 . LEU B 1 430 ? -10.596 38.882 -41.100 1.00 52.43 ? 428 LEU B CD2 1 ATOM 7559 N N . PRO B 1 431 ? -8.440 37.553 -36.248 1.00 43.22 ? 429 PRO B N 1 ATOM 7560 C CA . PRO B 1 431 ? -7.321 36.790 -35.669 1.00 44.48 ? 429 PRO B CA 1 ATOM 7561 C C . PRO B 1 431 ? -6.516 36.040 -36.729 1.00 47.08 ? 429 PRO B C 1 ATOM 7562 O O . PRO B 1 431 ? -5.368 35.663 -36.493 1.00 42.57 ? 429 PRO B O 1 ATOM 7563 C CB . PRO B 1 431 ? -8.012 35.777 -34.739 1.00 44.02 ? 429 PRO B CB 1 ATOM 7564 C CG . PRO B 1 431 ? -9.460 36.203 -34.653 1.00 46.71 ? 429 PRO B CG 1 ATOM 7565 C CD . PRO B 1 431 ? -9.745 36.956 -35.917 1.00 45.19 ? 429 PRO B CD 1 ATOM 7566 N N . TRP B 1 432 ? -7.119 35.820 -37.891 1.00 39.38 ? 430 TRP B N 1 ATOM 7567 C CA . TRP B 1 432 ? -6.433 35.128 -38.961 1.00 31.71 ? 430 TRP B CA 1 ATOM 7568 C C . TRP B 1 432 ? -5.408 36.063 -39.606 1.00 39.64 ? 430 TRP B C 1 ATOM 7569 O O . TRP B 1 432 ? -5.560 37.277 -39.546 1.00 48.35 ? 430 TRP B O 1 ATOM 7570 C CB . TRP B 1 432 ? -7.447 34.645 -39.977 1.00 31.27 ? 430 TRP B CB 1 ATOM 7571 C CG . TRP B 1 432 ? -8.447 33.688 -39.415 1.00 36.25 ? 430 TRP B CG 1 ATOM 7572 C CD1 . TRP B 1 432 ? -9.671 33.993 -38.891 1.00 36.20 ? 430 TRP B CD1 1 ATOM 7573 C CD2 . TRP B 1 432 ? -8.320 32.256 -39.340 1.00 33.49 ? 430 TRP B CD2 1 ATOM 7574 N NE1 . TRP B 1 432 ? -10.314 32.839 -38.492 1.00 37.90 ? 430 TRP B NE1 1 ATOM 7575 C CE2 . TRP B 1 432 ? -9.510 31.760 -38.763 1.00 33.37 ? 430 TRP B CE2 1 ATOM 7576 C CE3 . TRP B 1 432 ? -7.318 31.351 -39.706 1.00 30.27 ? 430 TRP B CE3 1 ATOM 7577 C CZ2 . TRP B 1 432 ? -9.723 30.398 -38.533 1.00 22.49 ? 430 TRP B CZ2 1 ATOM 7578 C CZ3 . TRP B 1 432 ? -7.533 29.998 -39.485 1.00 38.47 ? 430 TRP B CZ3 1 ATOM 7579 C CH2 . TRP B 1 432 ? -8.725 29.537 -38.898 1.00 33.50 ? 430 TRP B CH2 1 ATOM 7580 N N . PRO B 1 433 ? -4.349 35.503 -40.210 1.00 36.80 ? 431 PRO B N 1 ATOM 7581 C CA . PRO B 1 433 ? -3.297 36.350 -40.785 1.00 38.26 ? 431 PRO B CA 1 ATOM 7582 C C . PRO B 1 433 ? -3.798 37.192 -41.975 1.00 43.39 ? 431 PRO B C 1 ATOM 7583 O O . PRO B 1 433 ? -4.862 36.914 -42.535 1.00 45.89 ? 431 PRO B O 1 ATOM 7584 C CB . PRO B 1 433 ? -2.270 35.321 -41.274 1.00 36.79 ? 431 PRO B CB 1 ATOM 7585 C CG . PRO B 1 433 ? -3.113 34.135 -41.654 1.00 34.46 ? 431 PRO B CG 1 ATOM 7586 C CD . PRO B 1 433 ? -4.147 34.082 -40.552 1.00 35.57 ? 431 PRO B CD 1 ATOM 7587 N N . GLU B 1 434 ? -3.010 38.189 -42.365 1.00 49.07 ? 432 GLU B N 1 ATOM 7588 C CA . GLU B 1 434 ? -3.391 39.123 -43.430 1.00 57.93 ? 432 GLU B CA 1 ATOM 7589 C C . GLU B 1 434 ? -3.641 38.528 -44.820 1.00 55.69 ? 432 GLU B C 1 ATOM 7590 O O . GLU B 1 434 ? -4.563 38.949 -45.513 1.00 54.37 ? 432 GLU B O 1 ATOM 7591 C CB . GLU B 1 434 ? -2.380 40.258 -43.537 1.00 65.62 ? 432 GLU B CB 1 ATOM 7592 C CG . GLU B 1 434 ? -2.381 41.175 -42.337 1.00 85.72 ? 432 GLU B CG 1 ATOM 7593 C CD . GLU B 1 434 ? -1.657 42.476 -42.605 1.00 101.36 ? 432 GLU B CD 1 ATOM 7594 O OE1 . GLU B 1 434 ? -1.061 42.614 -43.699 1.00 103.43 ? 432 GLU B OE1 1 ATOM 7595 O OE2 . GLU B 1 434 ? -1.689 43.360 -41.722 1.00 107.86 ? 432 GLU B OE2 1 ATOM 7596 N N . TRP B 1 435 ? -2.839 37.559 -45.239 1.00 52.63 ? 433 TRP B N 1 ATOM 7597 C CA . TRP B 1 435 ? -3.038 36.993 -46.571 1.00 51.36 ? 433 TRP B CA 1 ATOM 7598 C C . TRP B 1 435 ? -4.440 36.400 -46.781 1.00 51.67 ? 433 TRP B C 1 ATOM 7599 O O . TRP B 1 435 ? -4.892 36.241 -47.919 1.00 47.04 ? 433 TRP B O 1 ATOM 7600 C CB . TRP B 1 435 ? -1.957 35.966 -46.910 1.00 48.44 ? 433 TRP B CB 1 ATOM 7601 C CG . TRP B 1 435 ? -1.989 34.694 -46.102 1.00 52.99 ? 433 TRP B CG 1 ATOM 7602 C CD1 . TRP B 1 435 ? -1.204 34.389 -45.024 1.00 52.92 ? 433 TRP B CD1 1 ATOM 7603 C CD2 . TRP B 1 435 ? -2.824 33.543 -46.329 1.00 45.49 ? 433 TRP B CD2 1 ATOM 7604 N NE1 . TRP B 1 435 ? -1.502 33.128 -44.564 1.00 47.31 ? 433 TRP B NE1 1 ATOM 7605 C CE2 . TRP B 1 435 ? -2.491 32.587 -45.344 1.00 41.74 ? 433 TRP B CE2 1 ATOM 7606 C CE3 . TRP B 1 435 ? -3.812 33.227 -47.270 1.00 42.07 ? 433 TRP B CE3 1 ATOM 7607 C CZ2 . TRP B 1 435 ? -3.118 31.339 -45.265 1.00 35.77 ? 433 TRP B CZ2 1 ATOM 7608 C CZ3 . TRP B 1 435 ? -4.433 31.982 -47.194 1.00 42.22 ? 433 TRP B CZ3 1 ATOM 7609 C CH2 . TRP B 1 435 ? -4.081 31.053 -46.195 1.00 32.73 ? 433 TRP B CH2 1 ATOM 7610 N N . MET B 1 436 ? -5.131 36.090 -45.688 1.00 46.32 ? 434 MET B N 1 ATOM 7611 C CA . MET B 1 436 ? -6.468 35.516 -45.786 1.00 38.62 ? 434 MET B CA 1 ATOM 7612 C C . MET B 1 436 ? -7.526 36.562 -46.146 1.00 39.92 ? 434 MET B C 1 ATOM 7613 O O . MET B 1 436 ? -8.639 36.220 -46.538 1.00 32.81 ? 434 MET B O 1 ATOM 7614 C CB . MET B 1 436 ? -6.815 34.731 -44.521 1.00 32.35 ? 434 MET B CB 1 ATOM 7615 C CG . MET B 1 436 ? -5.993 33.437 -44.421 1.00 34.98 ? 434 MET B CG 1 ATOM 7616 S SD . MET B 1 436 ? -6.281 32.353 -43.009 1.00 43.33 ? 434 MET B SD 1 ATOM 7617 C CE . MET B 1 436 ? -7.857 31.661 -43.431 1.00 29.95 ? 434 MET B CE 1 ATOM 7618 N N . GLY B 1 437 ? -7.157 37.839 -46.058 1.00 36.87 ? 435 GLY B N 1 ATOM 7619 C CA . GLY B 1 437 ? -8.028 38.910 -46.516 1.00 36.70 ? 435 GLY B CA 1 ATOM 7620 C C . GLY B 1 437 ? -9.352 39.040 -45.781 1.00 41.40 ? 435 GLY B C 1 ATOM 7621 O O . GLY B 1 437 ? -9.423 38.899 -44.560 1.00 47.27 ? 435 GLY B O 1 ATOM 7622 N N . VAL B 1 438 ? -10.405 39.313 -46.543 1.00 39.03 ? 436 VAL B N 1 ATOM 7623 C CA . VAL B 1 438 ? -11.737 39.528 -45.991 1.00 37.06 ? 436 VAL B CA 1 ATOM 7624 C C . VAL B 1 438 ? -12.488 38.212 -46.030 1.00 45.62 ? 436 VAL B C 1 ATOM 7625 O O . VAL B 1 438 ? -13.179 37.901 -47.007 1.00 43.60 ? 436 VAL B O 1 ATOM 7626 C CB . VAL B 1 438 ? -12.507 40.582 -46.809 1.00 40.55 ? 436 VAL B CB 1 ATOM 7627 C CG1 . VAL B 1 438 ? -13.838 40.903 -46.144 1.00 42.86 ? 436 VAL B CG1 1 ATOM 7628 C CG2 . VAL B 1 438 ? -11.656 41.834 -46.986 1.00 31.00 ? 436 VAL B CG2 1 ATOM 7629 N N . MET B 1 439 ? -12.340 37.448 -44.952 1.00 42.07 ? 437 MET B N 1 ATOM 7630 C CA . MET B 1 439 ? -12.731 36.041 -44.898 1.00 38.24 ? 437 MET B CA 1 ATOM 7631 C C . MET B 1 439 ? -14.223 35.739 -44.820 1.00 38.31 ? 437 MET B C 1 ATOM 7632 O O . MET B 1 439 ? -15.018 36.545 -44.340 1.00 35.90 ? 437 MET B O 1 ATOM 7633 C CB . MET B 1 439 ? -12.039 35.370 -43.712 1.00 38.50 ? 437 MET B CB 1 ATOM 7634 C CG . MET B 1 439 ? -10.541 35.259 -43.877 1.00 38.89 ? 437 MET B CG 1 ATOM 7635 S SD . MET B 1 439 ? -9.787 34.565 -42.411 1.00 45.93 ? 437 MET B SD 1 ATOM 7636 C CE . MET B 1 439 ? -10.907 33.186 -42.114 1.00 22.28 ? 437 MET B CE 1 ATOM 7637 N N . HIS B 1 440 ? -14.578 34.551 -45.300 1.00 36.87 ? 438 HIS B N 1 ATOM 7638 C CA . HIS B 1 440 ? -15.902 33.984 -45.086 1.00 35.75 ? 438 HIS B CA 1 ATOM 7639 C C . HIS B 1 440 ? -16.329 34.164 -43.626 1.00 38.19 ? 438 HIS B C 1 ATOM 7640 O O . HIS B 1 440 ? -15.626 33.738 -42.710 1.00 33.21 ? 438 HIS B O 1 ATOM 7641 C CB . HIS B 1 440 ? -15.861 32.484 -45.396 1.00 29.04 ? 438 HIS B CB 1 ATOM 7642 C CG . HIS B 1 440 ? -17.205 31.842 -45.425 1.00 27.24 ? 438 HIS B CG 1 ATOM 7643 N ND1 . HIS B 1 440 ? -18.184 32.210 -46.326 1.00 38.95 ? 438 HIS B ND1 1 ATOM 7644 C CD2 . HIS B 1 440 ? -17.739 30.852 -44.677 1.00 28.89 ? 438 HIS B CD2 1 ATOM 7645 C CE1 . HIS B 1 440 ? -19.266 31.484 -46.123 1.00 31.42 ? 438 HIS B CE1 1 ATOM 7646 N NE2 . HIS B 1 440 ? -19.019 30.640 -45.135 1.00 34.24 ? 438 HIS B NE2 1 ATOM 7647 N N . GLY B 1 441 ? -17.477 34.790 -43.402 1.00 38.37 ? 439 GLY B N 1 ATOM 7648 C CA . GLY B 1 441 ? -18.006 34.900 -42.051 1.00 32.66 ? 439 GLY B CA 1 ATOM 7649 C C . GLY B 1 441 ? -17.705 36.190 -41.303 1.00 38.08 ? 439 GLY B C 1 ATOM 7650 O O . GLY B 1 441 ? -18.358 36.493 -40.302 1.00 38.29 ? 439 GLY B O 1 ATOM 7651 N N . TYR B 1 442 ? -16.726 36.958 -41.773 1.00 35.67 ? 440 TYR B N 1 ATOM 7652 C CA . TYR B 1 442 ? -16.298 38.123 -41.014 1.00 38.92 ? 440 TYR B CA 1 ATOM 7653 C C . TYR B 1 442 ? -16.961 39.459 -41.384 1.00 43.05 ? 440 TYR B C 1 ATOM 7654 O O . TYR B 1 442 ? -16.425 40.535 -41.118 1.00 52.67 ? 440 TYR B O 1 ATOM 7655 C CB . TYR B 1 442 ? -14.776 38.193 -40.934 1.00 38.42 ? 440 TYR B CB 1 ATOM 7656 C CG . TYR B 1 442 ? -14.238 37.096 -40.040 1.00 42.10 ? 440 TYR B CG 1 ATOM 7657 C CD1 . TYR B 1 442 ? -13.943 35.833 -40.558 1.00 38.34 ? 440 TYR B CD1 1 ATOM 7658 C CD2 . TYR B 1 442 ? -14.068 37.304 -38.674 1.00 35.16 ? 440 TYR B CD2 1 ATOM 7659 C CE1 . TYR B 1 442 ? -13.467 34.820 -39.747 1.00 35.05 ? 440 TYR B CE1 1 ATOM 7660 C CE2 . TYR B 1 442 ? -13.583 36.298 -37.847 1.00 31.19 ? 440 TYR B CE2 1 ATOM 7661 C CZ . TYR B 1 442 ? -13.287 35.055 -38.393 1.00 39.87 ? 440 TYR B CZ 1 ATOM 7662 O OH . TYR B 1 442 ? -12.821 34.038 -37.598 1.00 35.83 ? 440 TYR B OH 1 ATOM 7663 N N . GLU B 1 443 ? -18.149 39.370 -41.967 1.00 37.04 ? 441 GLU B N 1 ATOM 7664 C CA . GLU B 1 443 ? -19.035 40.518 -42.080 1.00 38.57 ? 441 GLU B CA 1 ATOM 7665 C C . GLU B 1 443 ? -20.155 40.437 -41.038 1.00 38.49 ? 441 GLU B C 1 ATOM 7666 O O . GLU B 1 443 ? -20.868 41.404 -40.810 1.00 48.75 ? 441 GLU B O 1 ATOM 7667 C CB . GLU B 1 443 ? -19.637 40.597 -43.479 1.00 29.41 ? 441 GLU B CB 1 ATOM 7668 C CG . GLU B 1 443 ? -20.891 39.752 -43.688 1.00 39.54 ? 441 GLU B CG 1 ATOM 7669 C CD . GLU B 1 443 ? -20.657 38.227 -43.652 1.00 46.00 ? 441 GLU B CD 1 ATOM 7670 O OE1 . GLU B 1 443 ? -19.486 37.762 -43.637 1.00 45.46 ? 441 GLU B OE1 1 ATOM 7671 O OE2 . GLU B 1 443 ? -21.674 37.495 -43.627 1.00 36.82 ? 441 GLU B OE2 1 ATOM 7672 N N . ILE B 1 444 ? -20.291 39.282 -40.401 1.00 39.39 ? 442 ILE B N 1 ATOM 7673 C CA . ILE B 1 444 ? -21.405 39.026 -39.491 1.00 39.23 ? 442 ILE B CA 1 ATOM 7674 C C . ILE B 1 444 ? -21.428 39.986 -38.291 1.00 40.51 ? 442 ILE B C 1 ATOM 7675 O O . ILE B 1 444 ? -22.492 40.492 -37.899 1.00 36.10 ? 442 ILE B O 1 ATOM 7676 C CB . ILE B 1 444 ? -21.384 37.570 -38.974 1.00 36.50 ? 442 ILE B CB 1 ATOM 7677 C CG1 . ILE B 1 444 ? -21.554 36.573 -40.133 1.00 33.96 ? 442 ILE B CG1 1 ATOM 7678 C CG2 . ILE B 1 444 ? -22.481 37.362 -37.939 1.00 33.86 ? 442 ILE B CG2 1 ATOM 7679 C CD1 . ILE B 1 444 ? -21.450 35.066 -39.730 1.00 21.03 ? 442 ILE B CD1 1 ATOM 7680 N N . GLU B 1 445 ? -20.252 40.221 -37.711 1.00 35.83 ? 443 GLU B N 1 ATOM 7681 C CA . GLU B 1 445 ? -20.125 41.074 -36.540 1.00 38.44 ? 443 GLU B CA 1 ATOM 7682 C C . GLU B 1 445 ? -20.476 42.532 -36.862 1.00 48.42 ? 443 GLU B C 1 ATOM 7683 O O . GLU B 1 445 ? -20.892 43.287 -35.985 1.00 45.28 ? 443 GLU B O 1 ATOM 7684 C CB . GLU B 1 445 ? -18.715 40.970 -35.965 1.00 41.60 ? 443 GLU B CB 1 ATOM 7685 C CG . GLU B 1 445 ? -17.609 41.226 -36.967 1.00 48.98 ? 443 GLU B CG 1 ATOM 7686 C CD . GLU B 1 445 ? -16.303 40.560 -36.558 1.00 61.78 ? 443 GLU B CD 1 ATOM 7687 O OE1 . GLU B 1 445 ? -16.158 39.336 -36.788 1.00 68.57 ? 443 GLU B OE1 1 ATOM 7688 O OE2 . GLU B 1 445 ? -15.428 41.254 -35.996 1.00 58.05 ? 443 GLU B OE2 1 ATOM 7689 N N . PHE B 1 446 ? -20.313 42.909 -38.130 1.00 45.86 ? 444 PHE B N 1 ATOM 7690 C CA . PHE B 1 446 ? -20.674 44.236 -38.602 1.00 39.75 ? 444 PHE B CA 1 ATOM 7691 C C . PHE B 1 446 ? -22.188 44.364 -38.784 1.00 43.16 ? 444 PHE B C 1 ATOM 7692 O O . PHE B 1 446 ? -22.765 45.411 -38.504 1.00 48.20 ? 444 PHE B O 1 ATOM 7693 C CB . PHE B 1 446 ? -19.923 44.554 -39.903 1.00 37.18 ? 444 PHE B CB 1 ATOM 7694 C CG . PHE B 1 446 ? -18.478 44.878 -39.687 1.00 38.27 ? 444 PHE B CG 1 ATOM 7695 C CD1 . PHE B 1 446 ? -17.558 43.869 -39.451 1.00 32.95 ? 444 PHE B CD1 1 ATOM 7696 C CD2 . PHE B 1 446 ? -18.043 46.202 -39.664 1.00 37.64 ? 444 PHE B CD2 1 ATOM 7697 C CE1 . PHE B 1 446 ? -16.217 44.169 -39.223 1.00 36.09 ? 444 PHE B CE1 1 ATOM 7698 C CE2 . PHE B 1 446 ? -16.711 46.510 -39.432 1.00 35.75 ? 444 PHE B CE2 1 ATOM 7699 C CZ . PHE B 1 446 ? -15.793 45.495 -39.221 1.00 42.04 ? 444 PHE B CZ 1 ATOM 7700 N N . VAL B 1 447 ? -22.822 43.295 -39.254 1.00 43.37 ? 445 VAL B N 1 ATOM 7701 C CA . VAL B 1 447 ? -24.280 43.232 -39.394 1.00 44.61 ? 445 VAL B CA 1 ATOM 7702 C C . VAL B 1 447 ? -24.987 43.283 -38.037 1.00 47.28 ? 445 VAL B C 1 ATOM 7703 O O . VAL B 1 447 ? -26.030 43.916 -37.893 1.00 51.27 ? 445 VAL B O 1 ATOM 7704 C CB . VAL B 1 447 ? -24.706 41.925 -40.148 1.00 42.56 ? 445 VAL B CB 1 ATOM 7705 C CG1 . VAL B 1 447 ? -26.213 41.710 -40.097 1.00 37.82 ? 445 VAL B CG1 1 ATOM 7706 C CG2 . VAL B 1 447 ? -24.238 41.973 -41.578 1.00 37.46 ? 445 VAL B CG2 1 ATOM 7707 N N . PHE B 1 448 ? -24.415 42.601 -37.048 1.00 47.57 ? 446 PHE B N 1 ATOM 7708 C CA . PHE B 1 448 ? -25.019 42.479 -35.726 1.00 45.57 ? 446 PHE B CA 1 ATOM 7709 C C . PHE B 1 448 ? -24.614 43.645 -34.841 1.00 46.94 ? 446 PHE B C 1 ATOM 7710 O O . PHE B 1 448 ? -25.056 43.740 -33.696 1.00 51.76 ? 446 PHE B O 1 ATOM 7711 C CB . PHE B 1 448 ? -24.630 41.145 -35.062 1.00 47.83 ? 446 PHE B CB 1 ATOM 7712 C CG . PHE B 1 448 ? -25.535 40.002 -35.420 1.00 44.93 ? 446 PHE B CG 1 ATOM 7713 C CD1 . PHE B 1 448 ? -25.299 39.244 -36.548 1.00 40.51 ? 446 PHE B CD1 1 ATOM 7714 C CD2 . PHE B 1 448 ? -26.630 39.692 -34.628 1.00 49.31 ? 446 PHE B CD2 1 ATOM 7715 C CE1 . PHE B 1 448 ? -26.139 38.192 -36.887 1.00 35.53 ? 446 PHE B CE1 1 ATOM 7716 C CE2 . PHE B 1 448 ? -27.471 38.649 -34.956 1.00 41.65 ? 446 PHE B CE2 1 ATOM 7717 C CZ . PHE B 1 448 ? -27.219 37.892 -36.094 1.00 38.79 ? 446 PHE B CZ 1 ATOM 7718 N N . GLY B 1 449 ? -23.748 44.506 -35.372 1.00 40.95 ? 447 GLY B N 1 ATOM 7719 C CA . GLY B 1 449 ? -23.431 45.786 -34.760 1.00 36.44 ? 447 GLY B CA 1 ATOM 7720 C C . GLY B 1 449 ? -22.477 45.773 -33.588 1.00 39.11 ? 447 GLY B C 1 ATOM 7721 O O . GLY B 1 449 ? -22.524 46.671 -32.746 1.00 45.03 ? 447 GLY B O 1 ATOM 7722 N N . LEU B 1 450 ? -21.622 44.757 -33.518 1.00 36.91 ? 448 LEU B N 1 ATOM 7723 C CA . LEU B 1 450 ? -20.629 44.652 -32.445 1.00 41.40 ? 448 LEU B CA 1 ATOM 7724 C C . LEU B 1 450 ? -19.678 45.861 -32.377 1.00 42.46 ? 448 LEU B C 1 ATOM 7725 O O . LEU B 1 450 ? -19.283 46.267 -31.286 1.00 40.46 ? 448 LEU B O 1 ATOM 7726 C CB . LEU B 1 450 ? -19.839 43.329 -32.526 1.00 27.43 ? 448 LEU B CB 1 ATOM 7727 C CG . LEU B 1 450 ? -20.369 42.044 -31.828 1.00 35.79 ? 448 LEU B CG 1 ATOM 7728 C CD1 . LEU B 1 450 ? -21.710 41.557 -32.373 1.00 37.28 ? 448 LEU B CD1 1 ATOM 7729 C CD2 . LEU B 1 450 ? -19.353 40.887 -31.877 1.00 24.93 ? 448 LEU B CD2 1 ATOM 7730 N N . PRO B 1 451 ? -19.286 46.429 -33.537 1.00 40.82 ? 449 PRO B N 1 ATOM 7731 C CA . PRO B 1 451 ? -18.381 47.577 -33.398 1.00 42.44 ? 449 PRO B CA 1 ATOM 7732 C C . PRO B 1 451 ? -19.045 48.861 -32.901 1.00 48.03 ? 449 PRO B C 1 ATOM 7733 O O . PRO B 1 451 ? -18.333 49.845 -32.697 1.00 50.84 ? 449 PRO B O 1 ATOM 7734 C CB . PRO B 1 451 ? -17.830 47.755 -34.818 1.00 41.37 ? 449 PRO B CB 1 ATOM 7735 C CG . PRO B 1 451 ? -17.934 46.365 -35.414 1.00 31.42 ? 449 PRO B CG 1 ATOM 7736 C CD . PRO B 1 451 ? -19.253 45.901 -34.915 1.00 37.04 ? 449 PRO B CD 1 ATOM 7737 N N . LEU B 1 452 ? -20.360 48.848 -32.678 1.00 48.41 ? 450 LEU B N 1 ATOM 7738 C CA . LEU B 1 452 ? -21.046 49.988 -32.052 1.00 52.66 ? 450 LEU B CA 1 ATOM 7739 C C . LEU B 1 452 ? -20.701 50.133 -30.563 1.00 54.41 ? 450 LEU B C 1 ATOM 7740 O O . LEU B 1 452 ? -20.924 51.196 -29.959 1.00 55.71 ? 450 LEU B O 1 ATOM 7741 C CB . LEU B 1 452 ? -22.564 49.862 -32.205 1.00 51.62 ? 450 LEU B CB 1 ATOM 7742 C CG . LEU B 1 452 ? -23.077 49.722 -33.636 1.00 56.43 ? 450 LEU B CG 1 ATOM 7743 C CD1 . LEU B 1 452 ? -24.581 49.920 -33.677 1.00 51.37 ? 450 LEU B CD1 1 ATOM 7744 C CD2 . LEU B 1 452 ? -22.375 50.719 -34.532 1.00 67.10 ? 450 LEU B CD2 1 ATOM 7745 N N . GLU B 1 453 ? -20.180 49.051 -29.983 1.00 49.26 ? 451 GLU B N 1 ATOM 7746 C CA . GLU B 1 453 ? -19.801 48.998 -28.578 1.00 48.16 ? 451 GLU B CA 1 ATOM 7747 C C . GLU B 1 453 ? -18.426 49.638 -28.399 1.00 52.58 ? 451 GLU B C 1 ATOM 7748 O O . GLU B 1 453 ? -17.416 49.082 -28.832 1.00 52.86 ? 451 GLU B O 1 ATOM 7749 C CB . GLU B 1 453 ? -19.780 47.540 -28.107 1.00 47.49 ? 451 GLU B CB 1 ATOM 7750 C CG . GLU B 1 453 ? -19.197 47.330 -26.714 1.00 51.76 ? 451 GLU B CG 1 ATOM 7751 C CD . GLU B 1 453 ? -20.013 48.009 -25.636 1.00 62.53 ? 451 GLU B CD 1 ATOM 7752 O OE1 . GLU B 1 453 ? -20.978 47.381 -25.144 1.00 74.55 ? 451 GLU B OE1 1 ATOM 7753 O OE2 . GLU B 1 453 ? -19.690 49.163 -25.277 1.00 55.49 ? 451 GLU B OE2 1 ATOM 7754 N N . ARG B 1 454 ? -18.381 50.808 -27.769 1.00 55.38 ? 452 ARG B N 1 ATOM 7755 C CA . ARG B 1 454 ? -17.152 51.594 -27.777 1.00 62.68 ? 452 ARG B CA 1 ATOM 7756 C C . ARG B 1 454 ? -16.083 51.035 -26.844 1.00 63.43 ? 452 ARG B C 1 ATOM 7757 O O . ARG B 1 454 ? -14.956 51.515 -26.809 1.00 59.08 ? 452 ARG B O 1 ATOM 7758 C CB . ARG B 1 454 ? -17.437 53.068 -27.506 1.00 68.70 ? 452 ARG B CB 1 ATOM 7759 C CG . ARG B 1 454 ? -18.306 53.711 -28.578 1.00 71.11 ? 452 ARG B CG 1 ATOM 7760 C CD . ARG B 1 454 ? -17.832 55.115 -28.920 1.00 71.93 ? 452 ARG B CD 1 ATOM 7761 N NE . ARG B 1 454 ? -18.731 55.771 -29.866 1.00 73.72 ? 452 ARG B NE 1 ATOM 7762 C CZ . ARG B 1 454 ? -19.628 56.698 -29.535 1.00 66.65 ? 452 ARG B CZ 1 ATOM 7763 N NH1 . ARG B 1 454 ? -19.744 57.102 -28.273 1.00 62.44 ? 452 ARG B NH1 1 ATOM 7764 N NH2 . ARG B 1 454 ? -20.403 57.228 -30.471 1.00 57.68 ? 452 ARG B NH2 1 ATOM 7765 N N . ARG B 1 455 ? -16.436 49.991 -26.113 1.00 63.78 ? 453 ARG B N 1 ATOM 7766 C CA . ARG B 1 455 ? -15.460 49.302 -25.293 1.00 58.96 ? 453 ARG B CA 1 ATOM 7767 C C . ARG B 1 455 ? -14.905 48.037 -25.969 1.00 57.95 ? 453 ARG B C 1 ATOM 7768 O O . ARG B 1 455 ? -14.010 47.400 -25.439 1.00 61.48 ? 453 ARG B O 1 ATOM 7769 C CB . ARG B 1 455 ? -16.070 48.992 -23.923 1.00 52.65 ? 453 ARG B CB 1 ATOM 7770 C CG . ARG B 1 455 ? -16.180 50.230 -23.036 1.00 53.67 ? 453 ARG B CG 1 ATOM 7771 C CD . ARG B 1 455 ? -17.025 49.995 -21.792 1.00 57.87 ? 453 ARG B CD 1 ATOM 7772 N NE . ARG B 1 455 ? -17.173 51.213 -21.000 1.00 55.24 ? 453 ARG B NE 1 ATOM 7773 C CZ . ARG B 1 455 ? -18.157 51.433 -20.132 1.00 59.66 ? 453 ARG B CZ 1 ATOM 7774 N NH1 . ARG B 1 455 ? -19.088 50.515 -19.940 1.00 62.16 ? 453 ARG B NH1 1 ATOM 7775 N NH2 . ARG B 1 455 ? -18.215 52.573 -19.451 1.00 61.52 ? 453 ARG B NH2 1 ATOM 7776 N N . ASP B 1 456 ? -15.402 47.712 -27.162 1.00 67.12 ? 454 ASP B N 1 ATOM 7777 C CA . ASP B 1 456 ? -15.170 46.400 -27.787 1.00 69.50 ? 454 ASP B CA 1 ATOM 7778 C C . ASP B 1 456 ? -13.861 46.289 -28.577 1.00 65.11 ? 454 ASP B C 1 ATOM 7779 O O . ASP B 1 456 ? -13.654 45.281 -29.271 1.00 58.24 ? 454 ASP B O 1 ATOM 7780 C CB . ASP B 1 456 ? -16.354 46.053 -28.715 1.00 76.70 ? 454 ASP B CB 1 ATOM 7781 C CG . ASP B 1 456 ? -16.577 44.543 -28.884 1.00 83.16 ? 454 ASP B CG 1 ATOM 7782 O OD1 . ASP B 1 456 ? -15.624 43.756 -28.691 1.00 87.09 ? 454 ASP B OD1 1 ATOM 7783 O OD2 . ASP B 1 456 ? -17.723 44.146 -29.219 1.00 77.79 ? 454 ASP B OD2 1 ATOM 7784 N N . ASN B 1 457 ? -12.981 47.291 -28.443 1.00 61.12 ? 455 ASN B N 1 ATOM 7785 C CA . ASN B 1 457 ? -11.886 47.509 -29.401 1.00 59.09 ? 455 ASN B CA 1 ATOM 7786 C C . ASN B 1 457 ? -12.578 47.908 -30.727 1.00 64.18 ? 455 ASN B C 1 ATOM 7787 O O . ASN B 1 457 ? -13.690 48.429 -30.653 1.00 77.70 ? 455 ASN B O 1 ATOM 7788 C CB . ASN B 1 457 ? -10.918 46.302 -29.492 1.00 74.10 ? 455 ASN B CB 1 ATOM 7789 C CG . ASN B 1 457 ? -10.040 46.144 -28.234 1.00 82.96 ? 455 ASN B CG 1 ATOM 7790 O OD1 . ASN B 1 457 ? -9.595 47.136 -27.668 1.00 87.97 ? 455 ASN B OD1 1 ATOM 7791 N ND2 . ASN B 1 457 ? -9.782 44.888 -27.811 1.00 94.66 ? 455 ASN B ND2 1 ATOM 7792 N N . TYR B 1 458 ? -11.960 47.684 -31.896 1.00 44.34 ? 456 TYR B N 1 ATOM 7793 C CA . TYR B 1 458 ? -12.455 48.149 -33.229 1.00 43.10 ? 456 TYR B CA 1 ATOM 7794 C C . TYR B 1 458 ? -12.149 49.621 -33.462 1.00 47.01 ? 456 TYR B C 1 ATOM 7795 O O . TYR B 1 458 ? -12.093 50.397 -32.518 1.00 58.99 ? 456 TYR B O 1 ATOM 7796 C CB . TYR B 1 458 ? -13.968 47.953 -33.488 1.00 48.06 ? 456 TYR B CB 1 ATOM 7797 C CG . TYR B 1 458 ? -14.512 46.542 -33.619 1.00 52.06 ? 456 TYR B CG 1 ATOM 7798 C CD1 . TYR B 1 458 ? -14.337 45.805 -34.783 1.00 53.73 ? 456 TYR B CD1 1 ATOM 7799 C CD2 . TYR B 1 458 ? -15.256 45.974 -32.598 1.00 53.74 ? 456 TYR B CD2 1 ATOM 7800 C CE1 . TYR B 1 458 ? -14.852 44.530 -34.900 1.00 45.24 ? 456 TYR B CE1 1 ATOM 7801 C CE2 . TYR B 1 458 ? -15.770 44.708 -32.706 1.00 55.87 ? 456 TYR B CE2 1 ATOM 7802 C CZ . TYR B 1 458 ? -15.570 43.988 -33.859 1.00 52.97 ? 456 TYR B CZ 1 ATOM 7803 O OH . TYR B 1 458 ? -16.096 42.721 -33.954 1.00 55.21 ? 456 TYR B OH 1 ATOM 7804 N N . THR B 1 459 ? -11.981 50.011 -34.724 1.00 49.12 ? 457 THR B N 1 ATOM 7805 C CA . THR B 1 459 ? -11.774 51.423 -35.066 1.00 51.56 ? 457 THR B CA 1 ATOM 7806 C C . THR B 1 459 ? -13.070 52.210 -35.243 1.00 49.60 ? 457 THR B C 1 ATOM 7807 O O . THR B 1 459 ? -14.148 51.642 -35.460 1.00 49.17 ? 457 THR B O 1 ATOM 7808 C CB . THR B 1 459 ? -10.960 51.606 -36.365 1.00 53.59 ? 457 THR B CB 1 ATOM 7809 O OG1 . THR B 1 459 ? -11.736 51.168 -37.494 1.00 55.60 ? 457 THR B OG1 1 ATOM 7810 C CG2 . THR B 1 459 ? -9.653 50.846 -36.300 1.00 54.53 ? 457 THR B CG2 1 ATOM 7811 N N . LYS B 1 460 ? -12.929 53.531 -35.185 1.00 53.74 ? 458 LYS B N 1 ATOM 7812 C CA . LYS B 1 460 ? -14.020 54.467 -35.396 1.00 47.61 ? 458 LYS B CA 1 ATOM 7813 C C . LYS B 1 460 ? -14.687 54.270 -36.743 1.00 46.77 ? 458 LYS B C 1 ATOM 7814 O O . LYS B 1 460 ? -15.913 54.247 -36.840 1.00 49.65 ? 458 LYS B O 1 ATOM 7815 C CB . LYS B 1 460 ? -13.497 55.909 -35.311 1.00 51.00 ? 458 LYS B CB 1 ATOM 7816 C CG . LYS B 1 460 ? -14.605 56.937 -35.356 1.00 53.28 ? 458 LYS B CG 1 ATOM 7817 C CD . LYS B 1 460 ? -15.301 56.953 -34.010 1.00 53.72 ? 458 LYS B CD 1 ATOM 7818 C CE . LYS B 1 460 ? -16.707 57.486 -34.096 1.00 62.21 ? 458 LYS B CE 1 ATOM 7819 N NZ . LYS B 1 460 ? -17.369 57.398 -32.774 1.00 60.93 ? 458 LYS B NZ 1 ATOM 7820 N N . ALA B 1 461 ? -13.867 54.166 -37.782 1.00 46.45 ? 459 ALA B N 1 ATOM 7821 C CA . ALA B 1 461 ? -14.342 53.826 -39.120 1.00 58.48 ? 459 ALA B CA 1 ATOM 7822 C C . ALA B 1 461 ? -15.135 52.516 -39.128 1.00 59.34 ? 459 ALA B C 1 ATOM 7823 O O . ALA B 1 461 ? -16.122 52.386 -39.858 1.00 64.44 ? 459 ALA B O 1 ATOM 7824 C CB . ALA B 1 461 ? -13.175 53.733 -40.090 1.00 45.40 ? 459 ALA B CB 1 ATOM 7825 N N . GLU B 1 462 ? -14.705 51.547 -38.322 1.00 49.19 ? 460 GLU B N 1 ATOM 7826 C CA . GLU B 1 462 ? -15.444 50.298 -38.229 1.00 50.34 ? 460 GLU B CA 1 ATOM 7827 C C . GLU B 1 462 ? -16.762 50.474 -37.490 1.00 56.89 ? 460 GLU B C 1 ATOM 7828 O O . GLU B 1 462 ? -17.686 49.678 -37.658 1.00 62.82 ? 460 GLU B O 1 ATOM 7829 C CB . GLU B 1 462 ? -14.599 49.204 -37.585 1.00 45.15 ? 460 GLU B CB 1 ATOM 7830 C CG . GLU B 1 462 ? -13.729 48.484 -38.588 1.00 45.23 ? 460 GLU B CG 1 ATOM 7831 C CD . GLU B 1 462 ? -12.547 47.812 -37.946 1.00 51.04 ? 460 GLU B CD 1 ATOM 7832 O OE1 . GLU B 1 462 ? -12.157 48.227 -36.832 1.00 49.52 ? 460 GLU B OE1 1 ATOM 7833 O OE2 . GLU B 1 462 ? -12.010 46.865 -38.555 1.00 61.79 ? 460 GLU B OE2 1 ATOM 7834 N N . GLU B 1 463 ? -16.849 51.513 -36.668 1.00 50.33 ? 461 GLU B N 1 ATOM 7835 C CA . GLU B 1 463 ? -18.105 51.818 -36.005 1.00 51.67 ? 461 GLU B CA 1 ATOM 7836 C C . GLU B 1 463 ? -19.085 52.444 -37.011 1.00 57.66 ? 461 GLU B C 1 ATOM 7837 O O . GLU B 1 463 ? -20.270 52.101 -37.040 1.00 47.95 ? 461 GLU B O 1 ATOM 7838 C CB . GLU B 1 463 ? -17.869 52.740 -34.811 1.00 53.13 ? 461 GLU B CB 1 ATOM 7839 C CG . GLU B 1 463 ? -19.102 53.032 -33.992 1.00 50.02 ? 461 GLU B CG 1 ATOM 7840 C CD . GLU B 1 463 ? -18.896 54.173 -32.997 1.00 59.09 ? 461 GLU B CD 1 ATOM 7841 O OE1 . GLU B 1 463 ? -17.764 54.351 -32.478 1.00 51.49 ? 461 GLU B OE1 1 ATOM 7842 O OE2 . GLU B 1 463 ? -19.884 54.891 -32.735 1.00 67.32 ? 461 GLU B OE2 1 ATOM 7843 N N . ILE B 1 464 ? -18.578 53.358 -37.835 1.00 57.35 ? 462 ILE B N 1 ATOM 7844 C CA . ILE B 1 464 ? -19.393 53.997 -38.855 1.00 55.45 ? 462 ILE B CA 1 ATOM 7845 C C . ILE B 1 464 ? -19.867 52.986 -39.896 1.00 51.03 ? 462 ILE B C 1 ATOM 7846 O O . ILE B 1 464 ? -21.055 52.923 -40.209 1.00 51.41 ? 462 ILE B O 1 ATOM 7847 C CB . ILE B 1 464 ? -18.630 55.136 -39.558 1.00 63.67 ? 462 ILE B CB 1 ATOM 7848 C CG1 . ILE B 1 464 ? -18.308 56.252 -38.563 1.00 68.29 ? 462 ILE B CG1 1 ATOM 7849 C CG2 . ILE B 1 464 ? -19.434 55.676 -40.733 1.00 57.21 ? 462 ILE B CG2 1 ATOM 7850 C CD1 . ILE B 1 464 ? -19.468 56.592 -37.652 1.00 77.00 ? 462 ILE B CD1 1 ATOM 7851 N N . LEU B 1 465 ? -18.938 52.202 -40.432 1.00 49.25 ? 463 LEU B N 1 ATOM 7852 C CA . LEU B 1 465 ? -19.290 51.123 -41.359 1.00 52.45 ? 463 LEU B CA 1 ATOM 7853 C C . LEU B 1 465 ? -20.446 50.236 -40.857 1.00 51.34 ? 463 LEU B C 1 ATOM 7854 O O . LEU B 1 465 ? -21.445 50.045 -41.557 1.00 52.61 ? 463 LEU B O 1 ATOM 7855 C CB . LEU B 1 465 ? -18.064 50.267 -41.692 1.00 50.92 ? 463 LEU B CB 1 ATOM 7856 C CG . LEU B 1 465 ? -18.365 49.099 -42.632 1.00 49.30 ? 463 LEU B CG 1 ATOM 7857 C CD1 . LEU B 1 465 ? -19.070 49.616 -43.872 1.00 51.89 ? 463 LEU B CD1 1 ATOM 7858 C CD2 . LEU B 1 465 ? -17.092 48.376 -43.008 1.00 42.07 ? 463 LEU B CD2 1 ATOM 7859 N N . SER B 1 466 ? -20.310 49.710 -39.646 1.00 48.41 ? 464 SER B N 1 ATOM 7860 C CA . SER B 1 466 ? -21.357 48.888 -39.043 1.00 51.89 ? 464 SER B CA 1 ATOM 7861 C C . SER B 1 466 ? -22.669 49.666 -38.841 1.00 57.84 ? 464 SER B C 1 ATOM 7862 O O . SER B 1 466 ? -23.753 49.133 -39.078 1.00 57.08 ? 464 SER B O 1 ATOM 7863 C CB . SER B 1 466 ? -20.865 48.281 -37.718 1.00 49.11 ? 464 SER B CB 1 ATOM 7864 O OG . SER B 1 466 ? -21.858 47.462 -37.120 1.00 48.40 ? 464 SER B OG 1 ATOM 7865 N N . ARG B 1 467 ? -22.565 50.924 -38.412 1.00 58.98 ? 465 ARG B N 1 ATOM 7866 C CA . ARG B 1 467 ? -23.736 51.799 -38.271 1.00 59.81 ? 465 ARG B CA 1 ATOM 7867 C C . ARG B 1 467 ? -24.635 51.816 -39.501 1.00 57.32 ? 465 ARG B C 1 ATOM 7868 O O . ARG B 1 467 ? -25.860 51.742 -39.385 1.00 61.89 ? 465 ARG B O 1 ATOM 7869 C CB . ARG B 1 467 ? -23.310 53.233 -37.955 1.00 67.42 ? 465 ARG B CB 1 ATOM 7870 C CG . ARG B 1 467 ? -23.300 53.567 -36.489 1.00 71.60 ? 465 ARG B CG 1 ATOM 7871 C CD . ARG B 1 467 ? -24.469 54.459 -36.079 1.00 78.26 ? 465 ARG B CD 1 ATOM 7872 N NE . ARG B 1 467 ? -24.905 54.150 -34.717 1.00 82.37 ? 465 ARG B NE 1 ATOM 7873 C CZ . ARG B 1 467 ? -24.188 54.397 -33.622 1.00 77.81 ? 465 ARG B CZ 1 ATOM 7874 N NH1 . ARG B 1 467 ? -22.992 54.977 -33.720 1.00 71.31 ? 465 ARG B NH1 1 ATOM 7875 N NH2 . ARG B 1 467 ? -24.665 54.061 -32.426 1.00 72.35 ? 465 ARG B NH2 1 ATOM 7876 N N . SER B 1 468 ? -24.032 51.922 -40.680 1.00 51.85 ? 466 SER B N 1 ATOM 7877 C CA . SER B 1 468 ? -24.819 51.978 -41.911 1.00 53.39 ? 466 SER B CA 1 ATOM 7878 C C . SER B 1 468 ? -25.332 50.621 -42.388 1.00 58.97 ? 466 SER B C 1 ATOM 7879 O O . SER B 1 468 ? -26.464 50.529 -42.882 1.00 62.75 ? 466 SER B O 1 ATOM 7880 C CB . SER B 1 468 ? -24.066 52.706 -43.030 1.00 56.82 ? 466 SER B CB 1 ATOM 7881 O OG . SER B 1 468 ? -22.670 52.534 -42.928 1.00 59.31 ? 466 SER B OG 1 ATOM 7882 N N . ILE B 1 469 ? -24.507 49.579 -42.249 1.00 50.47 ? 467 ILE B N 1 ATOM 7883 C CA . ILE B 1 469 ? -24.929 48.227 -42.591 1.00 44.92 ? 467 ILE B CA 1 ATOM 7884 C C . ILE B 1 469 ? -26.164 47.891 -41.762 1.00 52.56 ? 467 ILE B C 1 ATOM 7885 O O . ILE B 1 469 ? -27.223 47.544 -42.299 1.00 53.34 ? 467 ILE B O 1 ATOM 7886 C CB . ILE B 1 469 ? -23.799 47.198 -42.334 1.00 53.22 ? 467 ILE B CB 1 ATOM 7887 C CG1 . ILE B 1 469 ? -22.647 47.440 -43.312 1.00 54.79 ? 467 ILE B CG1 1 ATOM 7888 C CG2 . ILE B 1 469 ? -24.314 45.764 -42.460 1.00 39.77 ? 467 ILE B CG2 1 ATOM 7889 C CD1 . ILE B 1 469 ? -21.353 46.771 -42.924 1.00 50.10 ? 467 ILE B CD1 1 ATOM 7890 N N . VAL B 1 470 ? -26.020 48.041 -40.452 1.00 48.86 ? 468 VAL B N 1 ATOM 7891 C CA . VAL B 1 470 ? -27.121 47.874 -39.518 1.00 46.86 ? 468 VAL B CA 1 ATOM 7892 C C . VAL B 1 470 ? -28.348 48.700 -39.904 1.00 58.18 ? 468 VAL B C 1 ATOM 7893 O O . VAL B 1 470 ? -29.480 48.233 -39.778 1.00 65.56 ? 468 VAL B O 1 ATOM 7894 C CB . VAL B 1 470 ? -26.658 48.212 -38.108 1.00 47.68 ? 468 VAL B CB 1 ATOM 7895 C CG1 . VAL B 1 470 ? -27.829 48.542 -37.211 1.00 42.77 ? 468 VAL B CG1 1 ATOM 7896 C CG2 . VAL B 1 470 ? -25.832 47.050 -37.556 1.00 36.15 ? 468 VAL B CG2 1 ATOM 7897 N N . LYS B 1 471 ? -28.119 49.908 -40.417 1.00 62.18 ? 469 LYS B N 1 ATOM 7898 C CA . LYS B 1 471 ? -29.202 50.780 -40.883 1.00 51.71 ? 469 LYS B CA 1 ATOM 7899 C C . LYS B 1 471 ? -29.871 50.265 -42.169 1.00 54.80 ? 469 LYS B C 1 ATOM 7900 O O . LYS B 1 471 ? -31.099 50.167 -42.239 1.00 55.61 ? 469 LYS B O 1 ATOM 7901 C CB . LYS B 1 471 ? -28.691 52.216 -41.053 1.00 60.36 ? 469 LYS B CB 1 ATOM 7902 C CG . LYS B 1 471 ? -29.737 53.224 -41.521 1.00 65.84 ? 469 LYS B CG 1 ATOM 7903 C CD . LYS B 1 471 ? -30.803 53.462 -40.461 1.00 64.73 ? 469 LYS B CD 1 ATOM 7904 C CE . LYS B 1 471 ? -30.289 54.321 -39.327 1.00 62.31 ? 469 LYS B CE 1 ATOM 7905 N NZ . LYS B 1 471 ? -31.330 54.445 -38.263 1.00 66.31 ? 469 LYS B NZ 1 ATOM 7906 N N . ARG B 1 472 ? -29.072 49.919 -43.179 1.00 51.37 ? 470 ARG B N 1 ATOM 7907 C CA . ARG B 1 472 ? -29.623 49.332 -44.406 1.00 49.85 ? 470 ARG B CA 1 ATOM 7908 C C . ARG B 1 472 ? -30.354 47.994 -44.174 1.00 48.81 ? 470 ARG B C 1 ATOM 7909 O O . ARG B 1 472 ? -31.426 47.764 -44.740 1.00 50.19 ? 470 ARG B O 1 ATOM 7910 C CB . ARG B 1 472 ? -28.537 49.147 -45.466 1.00 54.98 ? 470 ARG B CB 1 ATOM 7911 C CG . ARG B 1 472 ? -27.781 50.414 -45.828 1.00 66.49 ? 470 ARG B CG 1 ATOM 7912 C CD . ARG B 1 472 ? -26.715 50.127 -46.881 1.00 69.31 ? 470 ARG B CD 1 ATOM 7913 N NE . ARG B 1 472 ? -26.017 51.336 -47.311 1.00 64.81 ? 470 ARG B NE 1 ATOM 7914 C CZ . ARG B 1 472 ? -26.507 52.202 -48.192 1.00 58.52 ? 470 ARG B CZ 1 ATOM 7915 N NH1 . ARG B 1 472 ? -27.701 51.997 -48.728 1.00 49.72 ? 470 ARG B NH1 1 ATOM 7916 N NH2 . ARG B 1 472 ? -25.808 53.278 -48.523 1.00 59.25 ? 470 ARG B NH2 1 ATOM 7917 N N . TRP B 1 473 ? -29.775 47.112 -43.362 1.00 40.65 ? 471 TRP B N 1 ATOM 7918 C CA . TRP B 1 473 ? -30.408 45.818 -43.091 1.00 45.44 ? 471 TRP B CA 1 ATOM 7919 C C . TRP B 1 473 ? -31.789 46.039 -42.481 1.00 57.84 ? 471 TRP B C 1 ATOM 7920 O O . TRP B 1 473 ? -32.788 45.529 -42.986 1.00 65.37 ? 471 TRP B O 1 ATOM 7921 C CB . TRP B 1 473 ? -29.550 44.976 -42.148 1.00 44.54 ? 471 TRP B CB 1 ATOM 7922 C CG . TRP B 1 473 ? -28.667 43.949 -42.809 1.00 44.72 ? 471 TRP B CG 1 ATOM 7923 C CD1 . TRP B 1 473 ? -28.616 42.612 -42.514 1.00 44.08 ? 471 TRP B CD1 1 ATOM 7924 C CD2 . TRP B 1 473 ? -27.705 44.161 -43.851 1.00 45.44 ? 471 TRP B CD2 1 ATOM 7925 N NE1 . TRP B 1 473 ? -27.690 41.984 -43.304 1.00 43.21 ? 471 TRP B NE1 1 ATOM 7926 C CE2 . TRP B 1 473 ? -27.110 42.906 -44.132 1.00 44.89 ? 471 TRP B CE2 1 ATOM 7927 C CE3 . TRP B 1 473 ? -27.281 45.280 -44.570 1.00 44.63 ? 471 TRP B CE3 1 ATOM 7928 C CZ2 . TRP B 1 473 ? -26.123 42.741 -45.110 1.00 41.23 ? 471 TRP B CZ2 1 ATOM 7929 C CZ3 . TRP B 1 473 ? -26.296 45.114 -45.541 1.00 48.35 ? 471 TRP B CZ3 1 ATOM 7930 C CH2 . TRP B 1 473 ? -25.732 43.851 -45.804 1.00 45.95 ? 471 TRP B CH2 1 ATOM 7931 N N . ALA B 1 474 ? -31.835 46.825 -41.408 1.00 58.74 ? 472 ALA B N 1 ATOM 7932 C CA . ALA B 1 474 ? -33.096 47.190 -40.763 1.00 58.31 ? 472 ALA B CA 1 ATOM 7933 C C . ALA B 1 474 ? -34.078 47.849 -41.731 1.00 55.37 ? 472 ALA B C 1 ATOM 7934 O O . ALA B 1 474 ? -35.257 47.495 -41.770 1.00 60.48 ? 472 ALA B O 1 ATOM 7935 C CB . ALA B 1 474 ? -32.843 48.107 -39.584 1.00 59.61 ? 472 ALA B CB 1 ATOM 7936 N N . ASN B 1 475 ? -33.597 48.807 -42.513 1.00 48.07 ? 473 ASN B N 1 ATOM 7937 C CA . ASN B 1 475 ? -34.481 49.476 -43.462 1.00 61.22 ? 473 ASN B CA 1 ATOM 7938 C C . ASN B 1 475 ? -34.963 48.546 -44.568 1.00 65.88 ? 473 ASN B C 1 ATOM 7939 O O . ASN B 1 475 ? -36.084 48.685 -45.057 1.00 65.71 ? 473 ASN B O 1 ATOM 7940 C CB . ASN B 1 475 ? -33.844 50.750 -44.028 1.00 64.69 ? 473 ASN B CB 1 ATOM 7941 C CG . ASN B 1 475 ? -33.789 51.874 -43.000 1.00 65.59 ? 473 ASN B CG 1 ATOM 7942 O OD1 . ASN B 1 475 ? -34.575 51.890 -42.057 1.00 63.25 ? 473 ASN B OD1 1 ATOM 7943 N ND2 . ASN B 1 475 ? -32.853 52.802 -43.168 1.00 54.24 ? 473 ASN B ND2 1 ATOM 7944 N N . PHE B 1 476 ? -34.130 47.580 -44.946 1.00 62.94 ? 474 PHE B N 1 ATOM 7945 C CA . PHE B 1 476 ? -34.565 46.613 -45.931 1.00 55.43 ? 474 PHE B CA 1 ATOM 7946 C C . PHE B 1 476 ? -35.643 45.757 -45.312 1.00 59.22 ? 474 PHE B C 1 ATOM 7947 O O . PHE B 1 476 ? -36.601 45.371 -45.977 1.00 66.53 ? 474 PHE B O 1 ATOM 7948 C CB . PHE B 1 476 ? -33.422 45.725 -46.419 1.00 57.14 ? 474 PHE B CB 1 ATOM 7949 C CG . PHE B 1 476 ? -33.882 44.633 -47.331 1.00 53.27 ? 474 PHE B CG 1 ATOM 7950 C CD1 . PHE B 1 476 ? -34.092 44.887 -48.679 1.00 52.25 ? 474 PHE B CD1 1 ATOM 7951 C CD2 . PHE B 1 476 ? -34.152 43.364 -46.838 1.00 43.45 ? 474 PHE B CD2 1 ATOM 7952 C CE1 . PHE B 1 476 ? -34.541 43.887 -49.532 1.00 47.35 ? 474 PHE B CE1 1 ATOM 7953 C CE2 . PHE B 1 476 ? -34.603 42.366 -47.686 1.00 43.90 ? 474 PHE B CE2 1 ATOM 7954 C CZ . PHE B 1 476 ? -34.801 42.636 -49.035 1.00 44.92 ? 474 PHE B CZ 1 ATOM 7955 N N . ALA B 1 477 ? -35.473 45.444 -44.035 1.00 57.23 ? 475 ALA B N 1 ATOM 7956 C CA . ALA B 1 477 ? -36.439 44.614 -43.340 1.00 54.15 ? 475 ALA B CA 1 ATOM 7957 C C . ALA B 1 477 ? -37.754 45.379 -43.244 1.00 59.43 ? 475 ALA B C 1 ATOM 7958 O O . ALA B 1 477 ? -38.795 44.913 -43.700 1.00 58.30 ? 475 ALA B O 1 ATOM 7959 C CB . ALA B 1 477 ? -35.925 44.245 -41.964 1.00 43.19 ? 475 ALA B CB 1 ATOM 7960 N N . LYS B 1 478 ? -37.694 46.570 -42.665 1.00 62.56 ? 476 LYS B N 1 ATOM 7961 C CA . LYS B 1 478 ? -38.876 47.409 -42.529 1.00 67.21 ? 476 LYS B CA 1 ATOM 7962 C C . LYS B 1 478 ? -39.524 47.778 -43.876 1.00 66.71 ? 476 LYS B C 1 ATOM 7963 O O . LYS B 1 478 ? -40.752 47.703 -44.015 1.00 62.96 ? 476 LYS B O 1 ATOM 7964 C CB . LYS B 1 478 ? -38.540 48.695 -41.759 1.00 67.30 ? 476 LYS B CB 1 ATOM 7965 C CG . LYS B 1 478 ? -37.966 48.498 -40.358 1.00 59.27 ? 476 LYS B CG 1 ATOM 7966 C CD . LYS B 1 478 ? -38.055 49.804 -39.558 1.00 62.72 ? 476 LYS B CD 1 ATOM 7967 C CE . LYS B 1 478 ? -36.908 49.963 -38.555 1.00 62.41 ? 476 LYS B CE 1 ATOM 7968 N NZ . LYS B 1 478 ? -35.637 50.427 -39.210 1.00 65.88 ? 476 LYS B NZ 1 ATOM 7969 N N . TYR B 1 479 ? -38.711 48.157 -44.864 1.00 63.18 ? 477 TYR B N 1 ATOM 7970 C CA . TYR B 1 479 ? -39.243 48.874 -46.033 1.00 70.95 ? 477 TYR B CA 1 ATOM 7971 C C . TYR B 1 479 ? -39.117 48.181 -47.390 1.00 74.72 ? 477 TYR B C 1 ATOM 7972 O O . TYR B 1 479 ? -39.843 48.525 -48.325 1.00 76.49 ? 477 TYR B O 1 ATOM 7973 C CB . TYR B 1 479 ? -38.630 50.276 -46.121 1.00 66.37 ? 477 TYR B CB 1 ATOM 7974 C CG . TYR B 1 479 ? -38.730 51.060 -44.835 1.00 69.19 ? 477 TYR B CG 1 ATOM 7975 C CD1 . TYR B 1 479 ? -39.926 51.122 -44.130 1.00 77.46 ? 477 TYR B CD1 1 ATOM 7976 C CD2 . TYR B 1 479 ? -37.626 51.729 -44.320 1.00 66.41 ? 477 TYR B CD2 1 ATOM 7977 C CE1 . TYR B 1 479 ? -40.024 51.837 -42.945 1.00 84.71 ? 477 TYR B CE1 1 ATOM 7978 C CE2 . TYR B 1 479 ? -37.711 52.445 -43.138 1.00 73.08 ? 477 TYR B CE2 1 ATOM 7979 C CZ . TYR B 1 479 ? -38.912 52.495 -42.453 1.00 86.91 ? 477 TYR B CZ 1 ATOM 7980 O OH . TYR B 1 479 ? -39.002 53.206 -41.273 1.00 94.98 ? 477 TYR B OH 1 ATOM 7981 N N . GLY B 1 480 ? -38.199 47.227 -47.504 1.00 72.92 ? 478 GLY B N 1 ATOM 7982 C CA . GLY B 1 480 ? -37.983 46.531 -48.763 1.00 70.70 ? 478 GLY B CA 1 ATOM 7983 C C . GLY B 1 480 ? -36.995 47.258 -49.656 1.00 69.06 ? 478 GLY B C 1 ATOM 7984 O O . GLY B 1 480 ? -36.891 46.997 -50.856 1.00 68.07 ? 478 GLY B O 1 ATOM 7985 N N . ASN B 1 481 ? -36.265 48.181 -49.048 1.00 64.76 ? 479 ASN B N 1 ATOM 7986 C CA . ASN B 1 481 ? -35.278 48.983 -49.737 1.00 69.76 ? 479 ASN B CA 1 ATOM 7987 C C . ASN B 1 481 ? -34.191 49.240 -48.710 1.00 67.77 ? 479 ASN B C 1 ATOM 7988 O O . ASN B 1 481 ? -34.454 49.851 -47.682 1.00 77.23 ? 479 ASN B O 1 ATOM 7989 C CB . ASN B 1 481 ? -35.921 50.307 -50.178 1.00 81.96 ? 479 ASN B CB 1 ATOM 7990 C CG . ASN B 1 481 ? -35.086 51.070 -51.197 1.00 86.66 ? 479 ASN B CG 1 ATOM 7991 O OD1 . ASN B 1 481 ? -34.178 51.821 -50.839 1.00 84.60 ? 479 ASN B OD1 1 ATOM 7992 N ND2 . ASN B 1 481 ? -35.412 50.899 -52.478 1.00 90.77 ? 479 ASN B ND2 1 ATOM 7993 N N . PRO B 1 482 ? -32.967 48.759 -48.960 1.00 63.17 ? 480 PRO B N 1 ATOM 7994 C CA . PRO B 1 482 ? -31.922 49.012 -47.964 1.00 60.86 ? 480 PRO B CA 1 ATOM 7995 C C . PRO B 1 482 ? -31.379 50.437 -48.084 1.00 64.87 ? 480 PRO B C 1 ATOM 7996 O O . PRO B 1 482 ? -30.179 50.633 -48.281 1.00 61.11 ? 480 PRO B O 1 ATOM 7997 C CB . PRO B 1 482 ? -30.849 47.981 -48.316 1.00 54.56 ? 480 PRO B CB 1 ATOM 7998 C CG . PRO B 1 482 ? -31.018 47.750 -49.775 1.00 59.28 ? 480 PRO B CG 1 ATOM 7999 C CD . PRO B 1 482 ? -32.469 47.988 -50.111 1.00 66.02 ? 480 PRO B CD 1 ATOM 8000 N N . ASN B 1 483 ? -32.271 51.418 -47.970 1.00 75.87 ? 481 ASN B N 1 ATOM 8001 C CA . ASN B 1 483 ? -31.890 52.825 -48.047 1.00 88.20 ? 481 ASN B CA 1 ATOM 8002 C C . ASN B 1 483 ? -31.222 53.270 -46.759 1.00 89.08 ? 481 ASN B C 1 ATOM 8003 O O . ASN B 1 483 ? -31.499 52.740 -45.685 1.00 82.30 ? 481 ASN B O 1 ATOM 8004 C CB . ASN B 1 483 ? -33.102 53.719 -48.360 1.00 97.84 ? 481 ASN B CB 1 ATOM 8005 C CG . ASN B 1 483 ? -34.147 53.722 -47.246 1.00 111.25 ? 481 ASN B CG 1 ATOM 8006 O OD1 . ASN B 1 483 ? -34.481 52.677 -46.692 1.00 100.89 ? 481 ASN B OD1 1 ATOM 8007 N ND2 . ASN B 1 483 ? -34.660 54.910 -46.910 1.00 135.81 ? 481 ASN B ND2 1 ATOM 8008 N N . GLU B 1 484 ? -30.322 54.233 -46.863 1.00 96.24 ? 482 GLU B N 1 ATOM 8009 C CA . GLU B 1 484 ? -29.766 54.811 -45.658 1.00 104.58 ? 482 GLU B CA 1 ATOM 8010 C C . GLU B 1 484 ? -30.231 56.247 -45.502 1.00 114.02 ? 482 GLU B C 1 ATOM 8011 O O . GLU B 1 484 ? -30.760 56.846 -46.439 1.00 118.62 ? 482 GLU B O 1 ATOM 8012 C CB . GLU B 1 484 ? -28.242 54.739 -45.651 1.00 103.98 ? 482 GLU B CB 1 ATOM 8013 C CG . GLU B 1 484 ? -27.674 54.685 -44.244 1.00 102.21 ? 482 GLU B CG 1 ATOM 8014 C CD . GLU B 1 484 ? -26.212 55.036 -44.184 1.00 101.16 ? 482 GLU B CD 1 ATOM 8015 O OE1 . GLU B 1 484 ? -25.518 54.885 -45.211 1.00 97.42 ? 482 GLU B OE1 1 ATOM 8016 O OE2 . GLU B 1 484 ? -25.758 55.463 -43.102 1.00 105.28 ? 482 GLU B OE2 1 ATOM 8017 N N . THR B 1 485 ? -30.041 56.786 -44.304 1.00 119.08 ? 483 THR B N 1 ATOM 8018 C CA . THR B 1 485 ? -30.304 58.189 -44.028 1.00 120.72 ? 483 THR B CA 1 ATOM 8019 C C . THR B 1 485 ? -29.085 59.000 -44.460 1.00 115.15 ? 483 THR B C 1 ATOM 8020 O O . THR B 1 485 ? -28.453 58.675 -45.465 1.00 110.99 ? 483 THR B O 1 ATOM 8021 C CB . THR B 1 485 ? -30.555 58.400 -42.531 1.00 123.61 ? 483 THR B CB 1 ATOM 8022 O OG1 . THR B 1 485 ? -29.310 58.327 -41.826 1.00 124.34 ? 483 THR B OG1 1 ATOM 8023 C CG2 . THR B 1 485 ? -31.491 57.317 -41.998 1.00 121.93 ? 483 THR B CG2 1 ATOM 8024 N N . GLN B 1 486 ? -28.760 60.040 -43.694 1.00 116.96 ? 484 GLN B N 1 ATOM 8025 C CA . GLN B 1 486 ? -27.558 60.851 -43.913 1.00 118.23 ? 484 GLN B CA 1 ATOM 8026 C C . GLN B 1 486 ? -27.437 61.347 -45.355 1.00 122.21 ? 484 GLN B C 1 ATOM 8027 O O . GLN B 1 486 ? -26.908 60.632 -46.208 1.00 125.55 ? 484 GLN B O 1 ATOM 8028 C CB . GLN B 1 486 ? -26.304 60.056 -43.527 1.00 113.01 ? 484 GLN B CB 1 ATOM 8029 C CG . GLN B 1 486 ? -25.172 60.891 -42.946 0.0000 115.57 ? 484 GLN B CG 1 ATOM 8030 C CD . GLN B 1 486 ? -25.310 61.105 -41.449 0.0000 117.17 ? 484 GLN B CD 1 ATOM 8031 O OE1 . GLN B 1 486 ? -26.413 61.086 -40.904 0.0000 118.33 ? 484 GLN B OE1 1 ATOM 8032 N NE2 . GLN B 1 486 ? -24.182 61.301 -40.775 0.0000 117.22 ? 484 GLN B NE2 1 ATOM 8033 N N . ASN B 1 487 ? -27.900 62.573 -45.614 1.00 118.90 ? 485 ASN B N 1 ATOM 8034 C CA . ASN B 1 487 ? -27.938 63.156 -46.963 1.00 115.97 ? 485 ASN B CA 1 ATOM 8035 C C . ASN B 1 487 ? -26.735 62.851 -47.868 1.00 117.02 ? 485 ASN B C 1 ATOM 8036 O O . ASN B 1 487 ? -26.825 62.974 -49.089 1.00 119.02 ? 485 ASN B O 1 ATOM 8037 C CB . ASN B 1 487 ? -28.179 64.666 -46.890 0.0000 119.12 ? 485 ASN B CB 1 ATOM 8038 C CG . ASN B 1 487 ? -29.523 65.012 -46.279 0.0000 120.20 ? 485 ASN B CG 1 ATOM 8039 O OD1 . ASN B 1 487 ? -30.408 64.161 -46.176 0.0000 118.24 ? 485 ASN B OD1 1 ATOM 8040 N ND2 . ASN B 1 487 ? -29.686 66.266 -45.877 0.0000 123.66 ? 485 ASN B ND2 1 ATOM 8041 N N . ASN B 1 488 ? -25.614 62.463 -47.263 1.00 115.25 ? 486 ASN B N 1 ATOM 8042 C CA . ASN B 1 488 ? -24.501 61.878 -47.999 1.00 112.10 ? 486 ASN B CA 1 ATOM 8043 C C . ASN B 1 488 ? -24.919 60.533 -48.588 1.00 113.68 ? 486 ASN B C 1 ATOM 8044 O O . ASN B 1 488 ? -25.204 60.443 -49.783 1.00 114.02 ? 486 ASN B O 1 ATOM 8045 C CB . ASN B 1 488 ? -23.280 61.700 -47.093 1.00 105.40 ? 486 ASN B CB 1 ATOM 8046 C CG . ASN B 1 488 ? -22.745 63.019 -46.571 0.0000 108.61 ? 486 ASN B CG 1 ATOM 8047 O OD1 . ASN B 1 488 ? -22.828 64.047 -47.243 0.0000 111.83 ? 486 ASN B OD1 1 ATOM 8048 N ND2 . ASN B 1 488 ? -22.191 62.996 -45.364 0.0000 107.87 ? 486 ASN B ND2 1 ATOM 8049 N N . SER B 1 489 ? -24.968 59.505 -47.736 1.00 113.48 ? 487 SER B N 1 ATOM 8050 C CA . SER B 1 489 ? -25.355 58.137 -48.124 1.00 105.20 ? 487 SER B CA 1 ATOM 8051 C C . SER B 1 489 ? -24.585 57.645 -49.345 1.00 105.28 ? 487 SER B C 1 ATOM 8052 O O . SER B 1 489 ? -23.436 58.039 -49.554 1.00 109.45 ? 487 SER B O 1 ATOM 8053 C CB . SER B 1 489 ? -26.859 58.037 -48.393 1.00 97.38 ? 487 SER B CB 1 ATOM 8054 O OG . SER B 1 489 ? -27.150 58.330 -49.752 1.00 86.68 ? 487 SER B OG 1 ATOM 8055 N N . THR B 1 490 ? -25.223 56.795 -50.150 1.00 99.62 ? 488 THR B N 1 ATOM 8056 C CA . THR B 1 490 ? -24.611 56.311 -51.387 1.00 90.98 ? 488 THR B CA 1 ATOM 8057 C C . THR B 1 490 ? -25.569 55.532 -52.301 1.00 86.35 ? 488 THR B C 1 ATOM 8058 O O . THR B 1 490 ? -25.140 54.956 -53.301 1.00 83.07 ? 488 THR B O 1 ATOM 8059 C CB . THR B 1 490 ? -23.334 55.483 -51.110 1.00 89.43 ? 488 THR B CB 1 ATOM 8060 O OG1 . THR B 1 490 ? -22.501 55.473 -52.276 1.00 83.91 ? 488 THR B OG1 1 ATOM 8061 C CG2 . THR B 1 490 ? -23.687 54.068 -50.701 1.00 95.54 ? 488 THR B CG2 1 ATOM 8062 N N . SER B 1 491 ? -26.852 55.505 -51.939 1.00 86.11 ? 489 SER B N 1 ATOM 8063 C CA . SER B 1 491 ? -27.943 55.110 -52.847 1.00 85.25 ? 489 SER B CA 1 ATOM 8064 C C . SER B 1 491 ? -27.805 53.733 -53.516 1.00 86.40 ? 489 SER B C 1 ATOM 8065 O O . SER B 1 491 ? -27.154 53.598 -54.549 1.00 89.72 ? 489 SER B O 1 ATOM 8066 C CB . SER B 1 491 ? -28.138 56.190 -53.916 1.00 89.22 ? 489 SER B CB 1 ATOM 8067 O OG . SER B 1 491 ? -29.382 56.049 -54.581 1.00 94.42 ? 489 SER B OG 1 ATOM 8068 N N . TRP B 1 492 ? -28.456 52.725 -52.946 1.00 81.20 ? 490 TRP B N 1 ATOM 8069 C CA . TRP B 1 492 ? -28.302 51.342 -53.399 1.00 71.14 ? 490 TRP B CA 1 ATOM 8070 C C . TRP B 1 492 ? -29.327 50.976 -54.471 1.00 66.16 ? 490 TRP B C 1 ATOM 8071 O O . TRP B 1 492 ? -30.520 50.995 -54.201 1.00 68.99 ? 490 TRP B O 1 ATOM 8072 C CB . TRP B 1 492 ? -28.447 50.412 -52.192 1.00 67.81 ? 490 TRP B CB 1 ATOM 8073 C CG . TRP B 1 492 ? -27.990 48.995 -52.391 1.00 56.07 ? 490 TRP B CG 1 ATOM 8074 C CD1 . TRP B 1 492 ? -27.812 48.334 -53.576 1.00 53.82 ? 490 TRP B CD1 1 ATOM 8075 C CD2 . TRP B 1 492 ? -27.654 48.069 -51.361 1.00 49.15 ? 490 TRP B CD2 1 ATOM 8076 N NE1 . TRP B 1 492 ? -27.379 47.052 -53.340 1.00 53.13 ? 490 TRP B NE1 1 ATOM 8077 C CE2 . TRP B 1 492 ? -27.272 46.865 -51.986 1.00 48.44 ? 490 TRP B CE2 1 ATOM 8078 C CE3 . TRP B 1 492 ? -27.627 48.142 -49.963 1.00 54.58 ? 490 TRP B CE3 1 ATOM 8079 C CZ2 . TRP B 1 492 ? -26.882 45.738 -51.262 1.00 48.77 ? 490 TRP B CZ2 1 ATOM 8080 C CZ3 . TRP B 1 492 ? -27.237 47.015 -49.240 1.00 49.42 ? 490 TRP B CZ3 1 ATOM 8081 C CH2 . TRP B 1 492 ? -26.868 45.836 -49.891 1.00 43.27 ? 490 TRP B CH2 1 ATOM 8082 N N . PRO B 1 493 ? -28.860 50.630 -55.688 1.00 67.72 ? 491 PRO B N 1 ATOM 8083 C CA . PRO B 1 493 ? -29.721 50.310 -56.838 1.00 62.14 ? 491 PRO B CA 1 ATOM 8084 C C . PRO B 1 493 ? -30.047 48.816 -57.011 1.00 61.54 ? 491 PRO B C 1 ATOM 8085 O O . PRO B 1 493 ? -29.262 47.955 -56.634 1.00 60.27 ? 491 PRO B O 1 ATOM 8086 C CB . PRO B 1 493 ? -28.875 50.776 -58.018 1.00 56.91 ? 491 PRO B CB 1 ATOM 8087 C CG . PRO B 1 493 ? -27.481 50.469 -57.582 1.00 64.60 ? 491 PRO B CG 1 ATOM 8088 C CD . PRO B 1 493 ? -27.439 50.679 -56.081 1.00 68.45 ? 491 PRO B CD 1 ATOM 8089 N N . VAL B 1 494 ? -31.201 48.542 -57.613 1.00 61.71 ? 492 VAL B N 1 ATOM 8090 C CA . VAL B 1 494 ? -31.703 47.192 -57.896 1.00 55.77 ? 492 VAL B CA 1 ATOM 8091 C C . VAL B 1 494 ? -30.770 46.336 -58.792 1.00 74.69 ? 492 VAL B C 1 ATOM 8092 O O . VAL B 1 494 ? -30.089 46.852 -59.680 1.00 71.88 ? 492 VAL B O 1 ATOM 8093 C CB . VAL B 1 494 ? -33.143 47.306 -58.517 1.00 66.50 ? 492 VAL B CB 1 ATOM 8094 C CG1 . VAL B 1 494 ? -33.200 46.764 -59.938 1.00 71.06 ? 492 VAL B CG1 1 ATOM 8095 C CG2 . VAL B 1 494 ? -34.195 46.655 -57.633 1.00 60.40 ? 492 VAL B CG2 1 ATOM 8096 N N . PHE B 1 495 ? -30.731 45.027 -58.546 1.00 76.31 ? 493 PHE B N 1 ATOM 8097 C CA . PHE B 1 495 ? -29.888 44.115 -59.332 1.00 73.72 ? 493 PHE B CA 1 ATOM 8098 C C . PHE B 1 495 ? -30.644 43.571 -60.546 1.00 71.52 ? 493 PHE B C 1 ATOM 8099 O O . PHE B 1 495 ? -31.681 42.929 -60.400 1.00 70.70 ? 493 PHE B O 1 ATOM 8100 C CB . PHE B 1 495 ? -29.389 42.946 -58.459 1.00 67.27 ? 493 PHE B CB 1 ATOM 8101 C CG . PHE B 1 495 ? -28.351 42.067 -59.131 1.00 55.92 ? 493 PHE B CG 1 ATOM 8102 C CD1 . PHE B 1 495 ? -28.727 40.994 -59.918 1.00 55.02 ? 493 PHE B CD1 1 ATOM 8103 C CD2 . PHE B 1 495 ? -26.997 42.312 -58.959 1.00 54.59 ? 493 PHE B CD2 1 ATOM 8104 C CE1 . PHE B 1 495 ? -27.773 40.189 -60.525 1.00 59.63 ? 493 PHE B CE1 1 ATOM 8105 C CE2 . PHE B 1 495 ? -26.040 41.513 -59.563 1.00 50.19 ? 493 PHE B CE2 1 ATOM 8106 C CZ . PHE B 1 495 ? -26.424 40.450 -60.343 1.00 53.34 ? 493 PHE B CZ 1 ATOM 8107 N N . LYS B 1 496 ? -30.114 43.810 -61.741 1.00 75.64 ? 494 LYS B N 1 ATOM 8108 C CA . LYS B 1 496 ? -30.776 43.361 -62.965 1.00 77.31 ? 494 LYS B CA 1 ATOM 8109 C C . LYS B 1 496 ? -29.857 42.519 -63.862 1.00 71.13 ? 494 LYS B C 1 ATOM 8110 O O . LYS B 1 496 ? -28.667 42.804 -63.979 1.00 65.88 ? 494 LYS B O 1 ATOM 8111 C CB . LYS B 1 496 ? -31.346 44.563 -63.730 1.00 76.67 ? 494 LYS B CB 1 ATOM 8112 C CG . LYS B 1 496 ? -32.852 44.498 -63.933 1.00 75.24 ? 494 LYS B CG 1 ATOM 8113 C CD . LYS B 1 496 ? -33.614 44.495 -62.617 1.00 73.57 ? 494 LYS B CD 1 ATOM 8114 C CE . LYS B 1 496 ? -35.073 44.076 -62.808 1.00 84.42 ? 494 LYS B CE 1 ATOM 8115 N NZ . LYS B 1 496 ? -35.829 44.001 -61.515 1.00 86.83 ? 494 LYS B NZ 1 ATOM 8116 N N . SER B 1 497 ? -30.427 41.496 -64.498 1.00 71.61 ? 495 SER B N 1 ATOM 8117 C CA . SER B 1 497 ? -29.663 40.512 -65.274 1.00 78.40 ? 495 SER B CA 1 ATOM 8118 C C . SER B 1 497 ? -28.725 41.130 -66.309 1.00 81.33 ? 495 SER B C 1 ATOM 8119 O O . SER B 1 497 ? -27.695 40.553 -66.657 1.00 84.49 ? 495 SER B O 1 ATOM 8120 C CB . SER B 1 497 ? -30.610 39.527 -65.971 1.00 85.32 ? 495 SER B CB 1 ATOM 8121 O OG . SER B 1 497 ? -31.186 38.617 -65.051 1.00 90.20 ? 495 SER B OG 1 ATOM 8122 N N . THR B 1 498 ? -29.088 42.307 -66.797 1.00 80.99 ? 496 THR B N 1 ATOM 8123 C CA . THR B 1 498 ? -28.296 42.983 -67.809 1.00 82.01 ? 496 THR B CA 1 ATOM 8124 C C . THR B 1 498 ? -27.098 43.712 -67.214 1.00 76.59 ? 496 THR B C 1 ATOM 8125 O O . THR B 1 498 ? -25.956 43.332 -67.454 1.00 82.76 ? 496 THR B O 1 ATOM 8126 C CB . THR B 1 498 ? -29.154 43.984 -68.591 1.00 83.29 ? 496 THR B CB 1 ATOM 8127 O OG1 . THR B 1 498 ? -30.433 44.110 -67.948 1.00 82.56 ? 496 THR B OG1 1 ATOM 8128 C CG2 . THR B 1 498 ? -29.339 43.504 -70.020 1.00 77.63 ? 496 THR B CG2 1 ATOM 8129 N N . GLU B 1 499 ? -27.365 44.755 -66.434 1.00 67.78 ? 497 GLU B N 1 ATOM 8130 C CA . GLU B 1 499 ? -26.301 45.601 -65.899 1.00 69.99 ? 497 GLU B CA 1 ATOM 8131 C C . GLU B 1 499 ? -25.620 45.010 -64.668 1.00 64.22 ? 497 GLU B C 1 ATOM 8132 O O . GLU B 1 499 ? -24.417 45.200 -64.469 1.00 63.28 ? 497 GLU B O 1 ATOM 8133 C CB . GLU B 1 499 ? -26.836 46.989 -65.561 1.00 80.56 ? 497 GLU B CB 1 ATOM 8134 C CG . GLU B 1 499 ? -27.381 47.755 -66.742 1.00 94.38 ? 497 GLU B CG 1 ATOM 8135 C CD . GLU B 1 499 ? -28.278 48.877 -66.296 1.00 101.89 ? 497 GLU B CD 1 ATOM 8136 O OE1 . GLU B 1 499 ? -28.828 48.752 -65.178 1.00 105.41 ? 497 GLU B OE1 1 ATOM 8137 O OE2 . GLU B 1 499 ? -28.421 49.872 -67.045 1.00 100.47 ? 497 GLU B OE2 1 ATOM 8138 N N . GLN B 1 500 ? -26.393 44.312 -63.842 1.00 57.49 ? 498 GLN B N 1 ATOM 8139 C CA . GLN B 1 500 ? -25.850 43.666 -62.649 1.00 63.23 ? 498 GLN B CA 1 ATOM 8140 C C . GLN B 1 500 ? -25.150 44.667 -61.721 1.00 70.61 ? 498 GLN B C 1 ATOM 8141 O O . GLN B 1 500 ? -24.004 44.459 -61.322 1.00 68.39 ? 498 GLN B O 1 ATOM 8142 C CB . GLN B 1 500 ? -24.882 42.539 -63.035 1.00 57.24 ? 498 GLN B CB 1 ATOM 8143 C CG . GLN B 1 500 ? -25.442 41.521 -64.016 1.00 60.57 ? 498 GLN B CG 1 ATOM 8144 C CD . GLN B 1 500 ? -24.573 40.275 -64.117 1.00 69.29 ? 498 GLN B CD 1 ATOM 8145 O OE1 . GLN B 1 500 ? -23.688 40.050 -63.287 1.00 70.52 ? 498 GLN B OE1 1 ATOM 8146 N NE2 . GLN B 1 500 ? -24.827 39.454 -65.131 1.00 71.25 ? 498 GLN B NE2 1 ATOM 8147 N N . LYS B 1 501 ? -25.834 45.761 -61.402 1.00 74.33 ? 499 LYS B N 1 ATOM 8148 C CA . LYS B 1 501 ? -25.296 46.740 -60.468 1.00 67.49 ? 499 LYS B CA 1 ATOM 8149 C C . LYS B 1 501 ? -25.194 46.159 -59.061 1.00 55.78 ? 499 LYS B C 1 ATOM 8150 O O . LYS B 1 501 ? -26.091 45.454 -58.606 1.00 54.02 ? 499 LYS B O 1 ATOM 8151 C CB . LYS B 1 501 ? -26.171 47.993 -60.429 1.00 66.36 ? 499 LYS B CB 1 ATOM 8152 C CG . LYS B 1 501 ? -25.988 48.951 -61.597 1.00 66.59 ? 499 LYS B CG 1 ATOM 8153 C CD . LYS B 1 501 ? -26.796 50.237 -61.368 1.00 61.91 ? 499 LYS B CD 1 ATOM 8154 C CE . LYS B 1 501 ? -26.625 51.249 -62.496 1.00 66.64 ? 499 LYS B CE 1 ATOM 8155 N NZ . LYS B 1 501 ? -27.399 52.497 -62.220 1.00 67.55 ? 499 LYS B NZ 1 ATOM 8156 N N . TYR B 1 502 ? -24.104 46.473 -58.370 1.00 47.42 ? 500 TYR B N 1 ATOM 8157 C CA . TYR B 1 502 ? -23.951 46.092 -56.972 1.00 47.21 ? 500 TYR B CA 1 ATOM 8158 C C . TYR B 1 502 ? -23.243 47.182 -56.147 1.00 51.69 ? 500 TYR B C 1 ATOM 8159 O O . TYR B 1 502 ? -22.479 47.982 -56.681 1.00 57.25 ? 500 TYR B O 1 ATOM 8160 C CB . TYR B 1 502 ? -23.210 44.748 -56.864 1.00 47.42 ? 500 TYR B CB 1 ATOM 8161 C CG . TYR B 1 502 ? -21.750 44.795 -57.260 1.00 41.00 ? 500 TYR B CG 1 ATOM 8162 C CD1 . TYR B 1 502 ? -21.358 44.693 -58.593 1.00 43.26 ? 500 TYR B CD1 1 ATOM 8163 C CD2 . TYR B 1 502 ? -20.766 44.933 -56.298 1.00 41.78 ? 500 TYR B CD2 1 ATOM 8164 C CE1 . TYR B 1 502 ? -20.021 44.740 -58.948 1.00 47.36 ? 500 TYR B CE1 1 ATOM 8165 C CE2 . TYR B 1 502 ? -19.432 44.977 -56.637 1.00 42.31 ? 500 TYR B CE2 1 ATOM 8166 C CZ . TYR B 1 502 ? -19.062 44.877 -57.956 1.00 47.47 ? 500 TYR B CZ 1 ATOM 8167 O OH . TYR B 1 502 ? -17.721 44.921 -58.263 1.00 48.72 ? 500 TYR B OH 1 ATOM 8168 N N . LEU B 1 503 ? -23.511 47.205 -54.846 1.00 52.37 ? 501 LEU B N 1 ATOM 8169 C CA . LEU B 1 503 ? -22.876 48.150 -53.936 1.00 52.03 ? 501 LEU B CA 1 ATOM 8170 C C . LEU B 1 503 ? -21.697 47.521 -53.198 1.00 54.67 ? 501 LEU B C 1 ATOM 8171 O O . LEU B 1 503 ? -21.808 46.407 -52.675 1.00 52.55 ? 501 LEU B O 1 ATOM 8172 C CB . LEU B 1 503 ? -23.895 48.645 -52.915 1.00 63.36 ? 501 LEU B CB 1 ATOM 8173 C CG . LEU B 1 503 ? -23.411 49.747 -51.971 1.00 69.21 ? 501 LEU B CG 1 ATOM 8174 C CD1 . LEU B 1 503 ? -23.412 51.093 -52.684 1.00 66.31 ? 501 LEU B CD1 1 ATOM 8175 C CD2 . LEU B 1 503 ? -24.260 49.796 -50.718 1.00 70.26 ? 501 LEU B CD2 1 ATOM 8176 N N . THR B 1 504 ? -20.570 48.231 -53.151 1.00 58.38 ? 502 THR B N 1 ATOM 8177 C CA . THR B 1 504 ? -19.415 47.783 -52.370 1.00 55.91 ? 502 THR B CA 1 ATOM 8178 C C . THR B 1 504 ? -19.514 48.325 -50.953 1.00 60.34 ? 502 THR B C 1 ATOM 8179 O O . THR B 1 504 ? -20.084 49.390 -50.729 1.00 65.15 ? 502 THR B O 1 ATOM 8180 C CB . THR B 1 504 ? -18.071 48.257 -52.958 1.00 55.53 ? 502 THR B CB 1 ATOM 8181 O OG1 . THR B 1 504 ? -17.950 49.684 -52.815 1.00 69.04 ? 502 THR B OG1 1 ATOM 8182 C CG2 . THR B 1 504 ? -17.959 47.876 -54.413 1.00 48.88 ? 502 THR B CG2 1 ATOM 8183 N N . LEU B 1 505 ? -18.949 47.586 -50.006 1.00 53.19 ? 503 LEU B N 1 ATOM 8184 C CA . LEU B 1 505 ? -18.967 47.967 -48.602 1.00 49.83 ? 503 LEU B CA 1 ATOM 8185 C C . LEU B 1 505 ? -17.552 47.931 -48.041 1.00 49.75 ? 503 LEU B C 1 ATOM 8186 O O . LEU B 1 505 ? -16.903 46.878 -48.042 1.00 41.79 ? 503 LEU B O 1 ATOM 8187 C CB . LEU B 1 505 ? -19.849 47.009 -47.812 1.00 39.65 ? 503 LEU B CB 1 ATOM 8188 C CG . LEU B 1 505 ? -21.326 46.998 -48.187 1.00 39.57 ? 503 LEU B CG 1 ATOM 8189 C CD1 . LEU B 1 505 ? -22.056 45.932 -47.367 1.00 33.23 ? 503 LEU B CD1 1 ATOM 8190 C CD2 . LEU B 1 505 ? -21.937 48.402 -47.982 1.00 37.78 ? 503 LEU B CD2 1 ATOM 8191 N N . ASN B 1 506 ? -17.092 49.085 -47.573 1.00 37.44 ? 504 ASN B N 1 ATOM 8192 C CA . ASN B 1 506 ? -15.761 49.255 -47.014 1.00 55.29 ? 504 ASN B CA 1 ATOM 8193 C C . ASN B 1 506 ? -15.711 50.564 -46.220 1.00 59.76 ? 504 ASN B C 1 ATOM 8194 O O . ASN B 1 506 ? -16.701 51.293 -46.163 1.00 58.64 ? 504 ASN B O 1 ATOM 8195 C CB . ASN B 1 506 ? -14.713 49.265 -48.124 1.00 51.57 ? 504 ASN B CB 1 ATOM 8196 C CG . ASN B 1 506 ? -14.934 50.389 -49.127 1.00 62.55 ? 504 ASN B CG 1 ATOM 8197 O OD1 . ASN B 1 506 ? -14.601 51.544 -48.864 1.00 77.43 ? 504 ASN B OD1 1 ATOM 8198 N ND2 . ASN B 1 506 ? -15.493 50.054 -50.284 1.00 57.15 ? 504 ASN B ND2 1 ATOM 8199 N N . THR B 1 507 ? -14.568 50.871 -45.612 1.00 65.49 ? 505 THR B N 1 ATOM 8200 C CA . THR B 1 507 ? -14.463 52.078 -44.789 1.00 68.66 ? 505 THR B CA 1 ATOM 8201 C C . THR B 1 507 ? -14.091 53.343 -45.567 1.00 73.56 ? 505 THR B C 1 ATOM 8202 O O . THR B 1 507 ? -14.525 54.433 -45.216 1.00 75.42 ? 505 THR B O 1 ATOM 8203 C CB . THR B 1 507 ? -13.486 51.896 -43.613 1.00 64.48 ? 505 THR B CB 1 ATOM 8204 O OG1 . THR B 1 507 ? -12.182 51.592 -44.114 1.00 66.32 ? 505 THR B OG1 1 ATOM 8205 C CG2 . THR B 1 507 ? -13.955 50.782 -42.699 1.00 55.65 ? 505 THR B CG2 1 ATOM 8206 N N . GLU B 1 508 ? -13.289 53.202 -46.618 1.00 79.63 ? 506 GLU B N 1 ATOM 8207 C CA . GLU B 1 508 ? -12.923 54.356 -47.438 1.00 83.45 ? 506 GLU B CA 1 ATOM 8208 C C . GLU B 1 508 ? -13.724 54.434 -48.749 1.00 87.97 ? 506 GLU B C 1 ATOM 8209 O O . GLU B 1 508 ? -13.229 54.080 -49.819 1.00 91.98 ? 506 GLU B O 1 ATOM 8210 C CB . GLU B 1 508 ? -11.399 54.430 -47.674 1.00 79.24 ? 506 GLU B CB 1 ATOM 8211 C CG . GLU B 1 508 ? -10.760 53.246 -48.411 0.0000 78.87 ? 506 GLU B CG 1 ATOM 8212 C CD . GLU B 1 508 ? -10.820 51.949 -47.633 0.0000 77.70 ? 506 GLU B CD 1 ATOM 8213 O OE1 . GLU B 1 508 ? -10.669 51.986 -46.394 0.0000 77.54 ? 506 GLU B OE1 1 ATOM 8214 O OE2 . GLU B 1 508 ? -11.030 50.892 -48.265 1.00 77.39 ? 506 GLU B OE2 1 ATOM 8215 N N . SER B 1 509 ? -14.972 54.886 -48.637 1.00 89.18 ? 507 SER B N 1 ATOM 8216 C CA . SER B 1 509 ? -15.855 55.155 -49.786 1.00 91.27 ? 507 SER B CA 1 ATOM 8217 C C . SER B 1 509 ? -16.468 53.929 -50.486 1.00 85.52 ? 507 SER B C 1 ATOM 8218 O O . SER B 1 509 ? -15.780 53.146 -51.152 1.00 79.98 ? 507 SER B O 1 ATOM 8219 C CB . SER B 1 509 ? -15.193 56.089 -50.813 0.0000 94.19 ? 507 SER B CB 1 ATOM 8220 O OG . SER B 1 509 ? -14.175 55.421 -51.539 0.0000 93.31 ? 507 SER B OG 1 ATOM 8221 N N . THR B 1 510 ? -17.784 53.806 -50.346 1.00 81.44 ? 508 THR B N 1 ATOM 8222 C CA . THR B 1 510 ? -18.554 52.747 -50.978 1.00 83.23 ? 508 THR B CA 1 ATOM 8223 C C . THR B 1 510 ? -19.120 53.231 -52.306 1.00 85.67 ? 508 THR B C 1 ATOM 8224 O O . THR B 1 510 ? -19.737 54.293 -52.369 1.00 90.12 ? 508 THR B O 1 ATOM 8225 C CB . THR B 1 510 ? -19.739 52.343 -50.097 1.00 85.89 ? 508 THR B CB 1 ATOM 8226 O OG1 . THR B 1 510 ? -20.717 53.385 -50.122 1.00 88.71 ? 508 THR B OG1 1 ATOM 8227 C CG2 . THR B 1 510 ? -19.291 52.087 -48.654 1.00 84.06 ? 508 THR B CG2 1 ATOM 8228 N N . ARG B 1 511 ? -18.932 52.448 -53.363 1.00 81.50 ? 509 ARG B N 1 ATOM 8229 C CA . ARG B 1 511 ? -19.364 52.870 -54.693 1.00 72.84 ? 509 ARG B CA 1 ATOM 8230 C C . ARG B 1 511 ? -20.154 51.801 -55.452 1.00 68.60 ? 509 ARG B C 1 ATOM 8231 O O . ARG B 1 511 ? -20.058 50.616 -55.145 1.00 64.69 ? 509 ARG B O 1 ATOM 8232 C CB . ARG B 1 511 ? -18.161 53.336 -55.519 1.00 70.09 ? 509 ARG B CB 1 ATOM 8233 C CG . ARG B 1 511 ? -17.014 52.339 -55.614 1.00 61.76 ? 509 ARG B CG 1 ATOM 8234 C CD . ARG B 1 511 ? -15.915 52.863 -56.532 1.00 59.64 ? 509 ARG B CD 1 ATOM 8235 N NE . ARG B 1 511 ? -16.335 52.901 -57.930 0.0000 62.04 ? 509 ARG B NE 1 ATOM 8236 C CZ . ARG B 1 511 ? -16.746 53.996 -58.562 0.0000 65.83 ? 509 ARG B CZ 1 ATOM 8237 N NH1 . ARG B 1 511 ? -16.792 55.157 -57.923 0.0000 68.02 ? 509 ARG B NH1 1 ATOM 8238 N NH2 . ARG B 1 511 ? -17.110 53.932 -59.836 0.0000 67.35 ? 509 ARG B NH2 1 ATOM 8239 N N . ILE B 1 512 ? -20.932 52.238 -56.443 1.00 64.79 ? 510 ILE B N 1 ATOM 8240 C CA . ILE B 1 512 ? -21.750 51.346 -57.267 1.00 58.59 ? 510 ILE B CA 1 ATOM 8241 C C . ILE B 1 512 ? -21.007 50.790 -58.476 1.00 59.62 ? 510 ILE B C 1 ATOM 8242 O O . ILE B 1 512 ? -20.588 51.542 -59.351 1.00 66.89 ? 510 ILE B O 1 ATOM 8243 C CB . ILE B 1 512 ? -22.985 52.074 -57.800 1.00 59.98 ? 510 ILE B CB 1 ATOM 8244 C CG1 . ILE B 1 512 ? -23.924 52.437 -56.656 1.00 64.27 ? 510 ILE B CG1 1 ATOM 8245 C CG2 . ILE B 1 512 ? -23.712 51.225 -58.830 1.00 58.99 ? 510 ILE B CG2 1 ATOM 8246 C CD1 . ILE B 1 512 ? -25.108 53.248 -57.108 1.00 69.38 ? 510 ILE B CD1 1 ATOM 8247 N N . MET B 1 513 ? -20.870 49.468 -58.532 1.00 55.93 ? 511 MET B N 1 ATOM 8248 C CA . MET B 1 513 ? -20.182 48.804 -59.634 1.00 48.95 ? 511 MET B CA 1 ATOM 8249 C C . MET B 1 513 ? -21.137 47.871 -60.361 1.00 51.26 ? 511 MET B C 1 ATOM 8250 O O . MET B 1 513 ? -22.301 47.764 -59.990 1.00 51.75 ? 511 MET B O 1 ATOM 8251 C CB . MET B 1 513 ? -19.000 47.993 -59.115 1.00 53.45 ? 511 MET B CB 1 ATOM 8252 C CG . MET B 1 513 ? -18.101 48.707 -58.132 1.00 50.41 ? 511 MET B CG 1 ATOM 8253 S SD . MET B 1 513 ? -16.782 49.549 -58.990 1.00 88.74 ? 511 MET B SD 1 ATOM 8254 C CE . MET B 1 513 ? -15.534 49.535 -57.701 1.00 135.39 ? 511 MET B CE 1 ATOM 8255 N N . THR B 1 514 ? -20.633 47.190 -61.390 1.00 50.33 ? 512 THR B N 1 ATOM 8256 C CA . THR B 1 514 ? -21.438 46.266 -62.179 1.00 49.93 ? 512 THR B CA 1 ATOM 8257 C C . THR B 1 514 ? -20.703 44.964 -62.537 1.00 54.28 ? 512 THR B C 1 ATOM 8258 O O . THR B 1 514 ? -19.468 44.916 -62.561 1.00 50.94 ? 512 THR B O 1 ATOM 8259 C CB . THR B 1 514 ? -21.884 46.917 -63.492 1.00 57.97 ? 512 THR B CB 1 ATOM 8260 O OG1 . THR B 1 514 ? -20.735 47.443 -64.158 1.00 62.86 ? 512 THR B OG1 1 ATOM 8261 C CG2 . THR B 1 514 ? -22.881 48.038 -63.241 1.00 51.02 ? 512 THR B CG2 1 ATOM 8262 N N . LYS B 1 515 ? -21.485 43.922 -62.829 1.00 48.86 ? 513 LYS B N 1 ATOM 8263 C CA . LYS B 1 515 ? -20.969 42.616 -63.257 1.00 43.94 ? 513 LYS B CA 1 ATOM 8264 C C . LYS B 1 515 ? -19.828 42.084 -62.413 1.00 41.06 ? 513 LYS B C 1 ATOM 8265 O O . LYS B 1 515 ? -18.743 41.879 -62.940 1.00 49.50 ? 513 LYS B O 1 ATOM 8266 C CB . LYS B 1 515 ? -20.477 42.658 -64.707 1.00 49.62 ? 513 LYS B CB 1 ATOM 8267 C CG . LYS B 1 515 ? -21.513 43.009 -65.765 1.00 61.31 ? 513 LYS B CG 1 ATOM 8268 C CD . LYS B 1 515 ? -21.114 42.392 -67.112 1.00 69.66 ? 513 LYS B CD 1 ATOM 8269 C CE . LYS B 1 515 ? -21.943 42.929 -68.259 1.00 81.00 ? 513 LYS B CE 1 ATOM 8270 N NZ . LYS B 1 515 ? -21.550 44.329 -68.611 1.00 91.03 ? 513 LYS B NZ 1 ATOM 8271 N N . LEU B 1 516 ? -20.060 41.868 -61.123 1.00 38.27 ? 514 LEU B N 1 ATOM 8272 C CA . LEU B 1 516 ? -19.023 41.333 -60.233 1.00 42.26 ? 514 LEU B CA 1 ATOM 8273 C C . LEU B 1 516 ? -18.414 40.020 -60.735 1.00 49.91 ? 514 LEU B C 1 ATOM 8274 O O . LEU B 1 516 ? -19.134 39.047 -60.968 1.00 49.23 ? 514 LEU B O 1 ATOM 8275 C CB . LEU B 1 516 ? -19.600 41.094 -58.834 1.00 42.57 ? 514 LEU B CB 1 ATOM 8276 C CG . LEU B 1 516 ? -18.674 40.416 -57.826 1.00 41.76 ? 514 LEU B CG 1 ATOM 8277 C CD1 . LEU B 1 516 ? -17.418 41.260 -57.574 1.00 42.65 ? 514 LEU B CD1 1 ATOM 8278 C CD2 . LEU B 1 516 ? -19.410 40.137 -56.524 1.00 37.70 ? 514 LEU B CD2 1 ATOM 8279 N N . ARG B 1 517 ? -17.089 40.000 -60.878 1.00 53.05 ? 515 ARG B N 1 ATOM 8280 C CA . ARG B 1 517 ? -16.341 38.825 -61.345 1.00 44.41 ? 515 ARG B CA 1 ATOM 8281 C C . ARG B 1 517 ? -16.994 38.126 -62.549 1.00 49.26 ? 515 ARG B C 1 ATOM 8282 O O . ARG B 1 517 ? -17.052 36.899 -62.604 1.00 43.46 ? 515 ARG B O 1 ATOM 8283 C CB . ARG B 1 517 ? -16.130 37.810 -60.213 1.00 50.19 ? 515 ARG B CB 1 ATOM 8284 C CG . ARG B 1 517 ? -15.713 38.409 -58.874 1.00 60.47 ? 515 ARG B CG 1 ATOM 8285 C CD . ARG B 1 517 ? -14.842 37.455 -58.026 1.00 53.91 ? 515 ARG B CD 1 ATOM 8286 N NE . ARG B 1 517 ? -13.466 37.936 -57.964 1.00 60.60 ? 515 ARG B NE 1 ATOM 8287 C CZ . ARG B 1 517 ? -12.392 37.245 -58.342 1.00 68.54 ? 515 ARG B CZ 1 ATOM 8288 N NH1 . ARG B 1 517 ? -12.504 36.003 -58.790 1.00 56.60 ? 515 ARG B NH1 1 ATOM 8289 N NH2 . ARG B 1 517 ? -11.189 37.803 -58.262 1.00 78.77 ? 515 ARG B NH2 1 ATOM 8290 N N . ALA B 1 518 ? -17.477 38.909 -63.510 1.00 48.54 ? 516 ALA B N 1 ATOM 8291 C CA . ALA B 1 518 ? -18.155 38.360 -64.678 1.00 50.89 ? 516 ALA B CA 1 ATOM 8292 C C . ALA B 1 518 ? -17.300 37.377 -65.493 1.00 52.98 ? 516 ALA B C 1 ATOM 8293 O O . ALA B 1 518 ? -17.791 36.346 -65.935 1.00 47.23 ? 516 ALA B O 1 ATOM 8294 C CB . ALA B 1 518 ? -18.666 39.482 -65.570 1.00 54.97 ? 516 ALA B CB 1 ATOM 8295 N N . GLN B 1 519 ? -16.030 37.711 -65.690 1.00 54.66 ? 517 GLN B N 1 ATOM 8296 C CA . GLN B 1 519 ? -15.123 36.891 -66.478 1.00 52.95 ? 517 GLN B CA 1 ATOM 8297 C C . GLN B 1 519 ? -14.847 35.559 -65.770 1.00 54.12 ? 517 GLN B C 1 ATOM 8298 O O . GLN B 1 519 ? -14.782 34.501 -66.405 1.00 54.46 ? 517 GLN B O 1 ATOM 8299 C CB . GLN B 1 519 ? -13.821 37.668 -66.745 1.00 60.86 ? 517 GLN B CB 1 ATOM 8300 C CG . GLN B 1 519 ? -12.900 37.060 -67.797 1.00 73.46 ? 517 GLN B CG 1 ATOM 8301 C CD . GLN B 1 519 ? -11.790 36.202 -67.199 1.00 84.39 ? 517 GLN B CD 1 ATOM 8302 O OE1 . GLN B 1 519 ? -11.608 36.150 -65.978 1.00 85.59 ? 517 GLN B OE1 1 ATOM 8303 N NE2 . GLN B 1 519 ? -11.037 35.526 -68.066 1.00 85.27 ? 517 GLN B NE2 1 ATOM 8304 N N . GLN B 1 520 ? -14.701 35.608 -64.450 1.00 52.86 ? 518 GLN B N 1 ATOM 8305 C CA . GLN B 1 520 ? -14.494 34.385 -63.676 1.00 48.92 ? 518 GLN B CA 1 ATOM 8306 C C . GLN B 1 520 ? -15.754 33.527 -63.610 1.00 44.69 ? 518 GLN B C 1 ATOM 8307 O O . GLN B 1 520 ? -15.708 32.323 -63.821 1.00 43.30 ? 518 GLN B O 1 ATOM 8308 C CB . GLN B 1 520 ? -14.011 34.713 -62.271 1.00 45.42 ? 518 GLN B CB 1 ATOM 8309 C CG . GLN B 1 520 ? -12.621 35.289 -62.249 1.00 48.77 ? 518 GLN B CG 1 ATOM 8310 C CD . GLN B 1 520 ? -12.602 36.778 -62.503 1.00 48.93 ? 518 GLN B CD 1 ATOM 8311 O OE1 . GLN B 1 520 ? -13.631 37.389 -62.773 1.00 54.50 ? 518 GLN B OE1 1 ATOM 8312 N NE2 . GLN B 1 520 ? -11.429 37.375 -62.390 1.00 56.91 ? 518 GLN B NE2 1 ATOM 8313 N N . CYS B 1 521 ? -16.887 34.156 -63.339 1.00 48.49 ? 519 CYS B N 1 ATOM 8314 C CA . CYS B 1 521 ? -18.132 33.413 -63.204 1.00 45.52 ? 519 CYS B CA 1 ATOM 8315 C C . CYS B 1 521 ? -18.608 32.785 -64.507 1.00 46.18 ? 519 CYS B C 1 ATOM 8316 O O . CYS B 1 521 ? -19.295 31.759 -64.499 1.00 46.82 ? 519 CYS B O 1 ATOM 8317 C CB . CYS B 1 521 ? -19.206 34.277 -62.535 1.00 35.64 ? 519 CYS B CB 1 ATOM 8318 S SG . CYS B 1 521 ? -18.799 34.554 -60.802 1.00 70.66 ? 519 CYS B SG 1 ATOM 8319 N N . ARG B 1 522 ? -18.214 33.374 -65.629 1.00 42.70 ? 520 ARG B N 1 ATOM 8320 C CA . ARG B 1 522 ? -18.607 32.819 -66.910 1.00 37.54 ? 520 ARG B CA 1 ATOM 8321 C C . ARG B 1 522 ? -18.061 31.399 -67.075 1.00 51.19 ? 520 ARG B C 1 ATOM 8322 O O . ARG B 1 522 ? -18.734 30.513 -67.606 1.00 61.94 ? 520 ARG B O 1 ATOM 8323 C CB . ARG B 1 522 ? -18.142 33.713 -68.040 1.00 41.93 ? 520 ARG B CB 1 ATOM 8324 C CG . ARG B 1 522 ? -18.638 33.264 -69.382 1.00 47.33 ? 520 ARG B CG 1 ATOM 8325 C CD . ARG B 1 522 ? -18.007 34.067 -70.462 1.00 47.80 ? 520 ARG B CD 1 ATOM 8326 N NE . ARG B 1 522 ? -18.310 33.489 -71.763 1.00 56.67 ? 520 ARG B NE 1 ATOM 8327 C CZ . ARG B 1 522 ? -17.392 32.980 -72.573 1.00 56.89 ? 520 ARG B CZ 1 ATOM 8328 N NH1 . ARG B 1 522 ? -16.115 32.997 -72.207 1.00 51.34 ? 520 ARG B NH1 1 ATOM 8329 N NH2 . ARG B 1 522 ? -17.750 32.467 -73.746 1.00 60.91 ? 520 ARG B NH2 1 ATOM 8330 N N . PHE B 1 523 ? -16.844 31.189 -66.593 1.00 50.26 ? 521 PHE B N 1 ATOM 8331 C CA . PHE B 1 523 ? -16.236 29.872 -66.587 1.00 53.77 ? 521 PHE B CA 1 ATOM 8332 C C . PHE B 1 523 ? -17.068 28.847 -65.800 1.00 50.26 ? 521 PHE B C 1 ATOM 8333 O O . PHE B 1 523 ? -17.346 27.757 -66.305 1.00 44.83 ? 521 PHE B O 1 ATOM 8334 C CB . PHE B 1 523 ? -14.805 29.951 -66.030 1.00 51.70 ? 521 PHE B CB 1 ATOM 8335 C CG . PHE B 1 523 ? -14.114 28.614 -65.924 1.00 49.45 ? 521 PHE B CG 1 ATOM 8336 C CD1 . PHE B 1 523 ? -13.534 28.021 -67.046 1.00 41.22 ? 521 PHE B CD1 1 ATOM 8337 C CD2 . PHE B 1 523 ? -14.048 27.947 -64.705 1.00 46.10 ? 521 PHE B CD2 1 ATOM 8338 C CE1 . PHE B 1 523 ? -12.902 26.780 -66.954 1.00 35.59 ? 521 PHE B CE1 1 ATOM 8339 C CE2 . PHE B 1 523 ? -13.421 26.701 -64.601 1.00 42.87 ? 521 PHE B CE2 1 ATOM 8340 C CZ . PHE B 1 523 ? -12.845 26.120 -65.726 1.00 40.55 ? 521 PHE B CZ 1 ATOM 8341 N N . TRP B 1 524 ? -17.468 29.204 -64.579 1.00 44.98 ? 522 TRP B N 1 ATOM 8342 C CA . TRP B 1 524 ? -18.125 28.252 -63.675 1.00 46.00 ? 522 TRP B CA 1 ATOM 8343 C C . TRP B 1 524 ? -19.551 27.916 -64.072 1.00 57.08 ? 522 TRP B C 1 ATOM 8344 O O . TRP B 1 524 ? -20.028 26.815 -63.801 1.00 64.60 ? 522 TRP B O 1 ATOM 8345 C CB . TRP B 1 524 ? -18.110 28.755 -62.232 1.00 30.54 ? 522 TRP B CB 1 ATOM 8346 C CG . TRP B 1 524 ? -16.728 28.926 -61.692 1.00 33.62 ? 522 TRP B CG 1 ATOM 8347 C CD1 . TRP B 1 524 ? -16.082 30.102 -61.439 1.00 29.47 ? 522 TRP B CD1 1 ATOM 8348 C CD2 . TRP B 1 524 ? -15.805 27.883 -61.365 1.00 39.70 ? 522 TRP B CD2 1 ATOM 8349 N NE1 . TRP B 1 524 ? -14.819 29.855 -60.974 1.00 36.35 ? 522 TRP B NE1 1 ATOM 8350 C CE2 . TRP B 1 524 ? -14.625 28.499 -60.909 1.00 42.05 ? 522 TRP B CE2 1 ATOM 8351 C CE3 . TRP B 1 524 ? -15.864 26.485 -61.411 1.00 43.41 ? 522 TRP B CE3 1 ATOM 8352 C CZ2 . TRP B 1 524 ? -13.515 27.765 -60.486 1.00 42.98 ? 522 TRP B CZ2 1 ATOM 8353 C CZ3 . TRP B 1 524 ? -14.759 25.758 -60.994 1.00 43.77 ? 522 TRP B CZ3 1 ATOM 8354 C CH2 . TRP B 1 524 ? -13.604 26.396 -60.541 1.00 42.27 ? 522 TRP B CH2 1 ATOM 8355 N N . THR B 1 525 ? -20.231 28.862 -64.707 1.00 50.31 ? 523 THR B N 1 ATOM 8356 C CA . THR B 1 525 ? -21.618 28.646 -65.088 1.00 52.63 ? 523 THR B CA 1 ATOM 8357 C C . THR B 1 525 ? -21.765 28.082 -66.498 1.00 54.88 ? 523 THR B C 1 ATOM 8358 O O . THR B 1 525 ? -22.733 27.381 -66.783 1.00 66.19 ? 523 THR B O 1 ATOM 8359 C CB . THR B 1 525 ? -22.451 29.950 -64.960 1.00 62.58 ? 523 THR B CB 1 ATOM 8360 O OG1 . THR B 1 525 ? -21.862 30.977 -65.765 1.00 71.40 ? 523 THR B OG1 1 ATOM 8361 C CG2 . THR B 1 525 ? -22.499 30.422 -63.512 1.00 50.16 ? 523 THR B CG2 1 ATOM 8362 N N . SER B 1 526 ? -20.812 28.374 -67.380 1.00 48.41 ? 524 SER B N 1 ATOM 8363 C CA . SER B 1 526 ? -20.971 28.017 -68.793 1.00 50.64 ? 524 SER B CA 1 ATOM 8364 C C . SER B 1 526 ? -19.978 26.980 -69.321 1.00 54.73 ? 524 SER B C 1 ATOM 8365 O O . SER B 1 526 ? -20.218 26.349 -70.349 1.00 57.60 ? 524 SER B O 1 ATOM 8366 C CB . SER B 1 526 ? -20.937 29.269 -69.677 1.00 55.94 ? 524 SER B CB 1 ATOM 8367 O OG . SER B 1 526 ? -21.924 30.206 -69.278 1.00 62.24 ? 524 SER B OG 1 ATOM 8368 N N . PHE B 1 527 ? -18.860 26.797 -68.636 1.00 56.14 ? 525 PHE B N 1 ATOM 8369 C CA . PHE B 1 527 ? -17.886 25.838 -69.131 1.00 48.07 ? 525 PHE B CA 1 ATOM 8370 C C . PHE B 1 527 ? -17.677 24.659 -68.198 1.00 48.40 ? 525 PHE B C 1 ATOM 8371 O O . PHE B 1 527 ? -17.752 23.511 -68.626 1.00 44.05 ? 525 PHE B O 1 ATOM 8372 C CB . PHE B 1 527 ? -16.542 26.497 -69.427 1.00 45.37 ? 525 PHE B CB 1 ATOM 8373 C CG . PHE B 1 527 ? -15.597 25.602 -70.168 1.00 46.92 ? 525 PHE B CG 1 ATOM 8374 C CD1 . PHE B 1 527 ? -15.674 25.489 -71.547 1.00 49.63 ? 525 PHE B CD1 1 ATOM 8375 C CD2 . PHE B 1 527 ? -14.652 24.851 -69.487 1.00 47.99 ? 525 PHE B CD2 1 ATOM 8376 C CE1 . PHE B 1 527 ? -14.817 24.656 -72.233 1.00 58.11 ? 525 PHE B CE1 1 ATOM 8377 C CE2 . PHE B 1 527 ? -13.794 24.016 -70.167 1.00 55.01 ? 525 PHE B CE2 1 ATOM 8378 C CZ . PHE B 1 527 ? -13.874 23.911 -71.539 1.00 56.55 ? 525 PHE B CZ 1 ATOM 8379 N N . PHE B 1 528 ? -17.396 24.949 -66.932 1.00 45.16 ? 526 PHE B N 1 ATOM 8380 C CA . PHE B 1 528 ? -17.089 23.905 -65.964 1.00 44.52 ? 526 PHE B CA 1 ATOM 8381 C C . PHE B 1 528 ? -18.093 22.747 -65.912 1.00 57.56 ? 526 PHE B C 1 ATOM 8382 O O . PHE B 1 528 ? -17.678 21.600 -65.820 1.00 62.87 ? 526 PHE B O 1 ATOM 8383 C CB . PHE B 1 528 ? -16.880 24.479 -64.572 1.00 37.78 ? 526 PHE B CB 1 ATOM 8384 C CG . PHE B 1 528 ? -16.366 23.475 -63.581 1.00 49.22 ? 526 PHE B CG 1 ATOM 8385 C CD1 . PHE B 1 528 ? -15.075 22.976 -63.687 1.00 53.78 ? 526 PHE B CD1 1 ATOM 8386 C CD2 . PHE B 1 528 ? -17.161 23.041 -62.533 1.00 50.09 ? 526 PHE B CD2 1 ATOM 8387 C CE1 . PHE B 1 528 ? -14.590 22.049 -62.770 1.00 48.20 ? 526 PHE B CE1 1 ATOM 8388 C CE2 . PHE B 1 528 ? -16.680 22.118 -61.612 1.00 42.44 ? 526 PHE B CE2 1 ATOM 8389 C CZ . PHE B 1 528 ? -15.394 21.626 -61.735 1.00 39.05 ? 526 PHE B CZ 1 ATOM 8390 N N . PRO B 1 529 ? -19.409 23.031 -65.969 1.00 56.49 ? 527 PRO B N 1 ATOM 8391 C CA . PRO B 1 529 ? -20.330 21.889 -66.015 1.00 55.72 ? 527 PRO B CA 1 ATOM 8392 C C . PRO B 1 529 ? -20.199 20.960 -67.229 1.00 65.83 ? 527 PRO B C 1 ATOM 8393 O O . PRO B 1 529 ? -20.976 20.012 -67.325 1.00 71.06 ? 527 PRO B O 1 ATOM 8394 C CB . PRO B 1 529 ? -21.718 22.546 -66.000 1.00 57.00 ? 527 PRO B CB 1 ATOM 8395 C CG . PRO B 1 529 ? -21.483 24.014 -66.195 1.00 63.31 ? 527 PRO B CG 1 ATOM 8396 C CD . PRO B 1 529 ? -20.125 24.280 -65.661 1.00 60.32 ? 527 PRO B CD 1 ATOM 8397 N N . LYS B 1 530 ? -19.241 21.202 -68.118 1.00 68.69 ? 528 LYS B N 1 ATOM 8398 C CA . LYS B 1 530 ? -19.062 20.352 -69.295 1.00 72.13 ? 528 LYS B CA 1 ATOM 8399 C C . LYS B 1 530 ? -17.796 19.488 -69.222 1.00 79.91 ? 528 LYS B C 1 ATOM 8400 O O . LYS B 1 530 ? -17.651 18.523 -69.977 1.00 83.11 ? 528 LYS B O 1 ATOM 8401 C CB . LYS B 1 530 ? -19.075 21.191 -70.582 1.00 69.38 ? 528 LYS B CB 1 ATOM 8402 C CG . LYS B 1 530 ? -20.376 21.965 -70.806 1.00 70.27 ? 528 LYS B CG 1 ATOM 8403 C CD . LYS B 1 530 ? -20.261 22.980 -71.935 1.00 71.35 ? 528 LYS B CD 1 ATOM 8404 C CE . LYS B 1 530 ? -21.513 23.845 -72.036 1.00 77.55 ? 528 LYS B CE 1 ATOM 8405 N NZ . LYS B 1 530 ? -21.433 24.837 -73.159 1.00 87.53 ? 528 LYS B NZ 1 ATOM 8406 N N . VAL B 1 531 ? -16.888 19.835 -68.312 1.00 82.13 ? 529 VAL B N 1 ATOM 8407 C CA . VAL B 1 531 ? -15.645 19.085 -68.138 1.00 87.61 ? 529 VAL B CA 1 ATOM 8408 C C . VAL B 1 531 ? -15.877 17.834 -67.301 1.00 92.47 ? 529 VAL B C 1 ATOM 8409 O O . VAL B 1 531 ? -16.916 17.697 -66.654 1.00 90.44 ? 529 VAL B O 1 ATOM 8410 C CB . VAL B 1 531 ? -14.545 19.930 -67.456 1.00 87.00 ? 529 VAL B CB 1 ATOM 8411 C CG1 . VAL B 1 531 ? -14.462 21.302 -68.088 1.00 90.22 ? 529 VAL B CG1 1 ATOM 8412 C CG2 . VAL B 1 531 ? -14.799 20.042 -65.955 1.00 78.39 ? 529 VAL B CG2 1 ATOM 8413 O OXT . VAL B 1 531 ? -15.028 16.940 -67.251 1.00 97.53 ? 529 VAL B OXT 1 HETATM 8414 N N . BAL C 2 . ? 1.929 -11.543 -17.270 1.00 61.66 ? 550 BAL A N 1 HETATM 8415 C CB . BAL C 2 . ? 1.016 -10.402 -17.365 1.00 50.11 ? 550 BAL A CB 1 HETATM 8416 C CA . BAL C 2 . ? 1.426 -9.146 -16.601 1.00 54.35 ? 550 BAL A CA 1 HETATM 8417 C C . BAL C 2 . ? 0.419 -8.476 -15.711 1.00 70.10 ? 550 BAL A C 1 HETATM 8418 O O . BAL C 2 . ? -0.654 -9.017 -15.337 1.00 56.05 ? 550 BAL A O 1 HETATM 8419 O OXT . BAL C 2 . ? 1.083 -7.863 -14.815 1.00 84.73 ? 550 BAL A OXT 1 HETATM 8420 C C1 . NAG D 3 . ? -17.061 13.266 7.635 1.00 51.85 ? 601 NAG A C1 1 HETATM 8421 C C2 . NAG D 3 . ? -17.059 14.079 8.936 1.00 67.31 ? 601 NAG A C2 1 HETATM 8422 C C3 . NAG D 3 . ? -18.135 15.176 9.036 1.00 79.26 ? 601 NAG A C3 1 HETATM 8423 C C4 . NAG D 3 . ? -18.583 15.786 7.702 1.00 83.28 ? 601 NAG A C4 1 HETATM 8424 C C5 . NAG D 3 . ? -18.461 14.795 6.538 1.00 73.78 ? 601 NAG A C5 1 HETATM 8425 C C6 . NAG D 3 . ? -18.602 15.475 5.177 1.00 66.90 ? 601 NAG A C6 1 HETATM 8426 C C7 . NAG D 3 . ? -16.160 12.886 10.856 1.00 62.87 ? 601 NAG A C7 1 HETATM 8427 C C8 . NAG D 3 . ? -15.024 13.872 10.902 1.00 63.42 ? 601 NAG A C8 1 HETATM 8428 N N2 . NAG D 3 . ? -17.197 13.181 10.071 1.00 60.51 ? 601 NAG A N2 1 HETATM 8429 O O3 . NAG D 3 . ? -17.671 16.210 9.891 1.00 78.19 ? 601 NAG A O3 1 HETATM 8430 O O4 . NAG D 3 . ? -19.927 16.221 7.860 1.00 91.49 ? 601 NAG A O4 1 HETATM 8431 O O5 . NAG D 3 . ? -17.198 14.165 6.563 1.00 65.16 ? 601 NAG A O5 1 HETATM 8432 O O6 . NAG D 3 . ? -17.571 16.425 5.034 1.00 62.88 ? 601 NAG A O6 1 HETATM 8433 O O7 . NAG D 3 . ? -16.106 11.851 11.518 1.00 62.98 ? 601 NAG A O7 1 HETATM 8434 C C1 . NAG E 3 . ? -20.097 17.625 7.543 1.00 98.49 ? 602 NAG A C1 1 HETATM 8435 C C2 . NAG E 3 . ? -21.579 17.934 7.296 1.00 107.02 ? 602 NAG A C2 1 HETATM 8436 C C3 . NAG E 3 . ? -21.716 19.374 6.797 1.00 105.62 ? 602 NAG A C3 1 HETATM 8437 C C4 . NAG E 3 . ? -21.147 20.287 7.877 1.00 100.79 ? 602 NAG A C4 1 HETATM 8438 C C5 . NAG E 3 . ? -19.701 19.900 8.198 1.00 95.71 ? 602 NAG A C5 1 HETATM 8439 C C6 . NAG E 3 . ? -19.174 20.717 9.375 1.00 95.44 ? 602 NAG A C6 1 HETATM 8440 C C7 . NAG E 3 . ? -23.179 16.155 6.846 1.00 108.78 ? 602 NAG A C7 1 HETATM 8441 C C8 . NAG E 3 . ? -23.889 15.334 5.810 1.00 104.38 ? 602 NAG A C8 1 HETATM 8442 N N2 . NAG E 3 . ? -22.206 16.961 6.409 1.00 107.39 ? 602 NAG A N2 1 HETATM 8443 O O3 . NAG E 3 . ? -23.061 19.717 6.528 1.00 106.13 ? 602 NAG A O3 1 HETATM 8444 O O4 . NAG E 3 . ? -21.237 21.642 7.482 1.00 98.55 ? 602 NAG A O4 1 HETATM 8445 O O5 . NAG E 3 . ? -19.574 18.520 8.510 1.00 94.87 ? 602 NAG A O5 1 HETATM 8446 O O6 . NAG E 3 . ? -19.428 20.036 10.587 1.00 91.63 ? 602 NAG A O6 1 HETATM 8447 O O7 . NAG E 3 . ? -23.504 16.067 8.033 1.00 111.54 ? 602 NAG A O7 1 HETATM 8448 C C1 . NAG F 3 . ? -17.433 -1.571 14.774 1.00 68.23 ? 611 NAG A C1 1 HETATM 8449 C C2 . NAG F 3 . ? -17.856 -2.829 15.544 1.00 77.58 ? 611 NAG A C2 1 HETATM 8450 C C3 . NAG F 3 . ? -18.685 -2.502 16.785 1.00 89.72 ? 611 NAG A C3 1 HETATM 8451 C C4 . NAG F 3 . ? -17.942 -1.497 17.670 1.00 94.68 ? 611 NAG A C4 1 HETATM 8452 C C5 . NAG F 3 . ? -17.502 -0.309 16.814 1.00 89.27 ? 611 NAG A C5 1 HETATM 8453 C C6 . NAG F 3 . ? -16.629 0.604 17.665 1.00 93.07 ? 611 NAG A C6 1 HETATM 8454 C C7 . NAG F 3 . ? -18.049 -4.958 14.339 1.00 74.45 ? 611 NAG A C7 1 HETATM 8455 C C8 . NAG F 3 . ? -18.818 -5.794 13.348 1.00 67.83 ? 611 NAG A C8 1 HETATM 8456 N N2 . NAG F 3 . ? -18.580 -3.784 14.710 1.00 76.96 ? 611 NAG A N2 1 HETATM 8457 O O3 . NAG F 3 . ? -18.916 -3.732 17.433 1.00 93.38 ? 611 NAG A O3 1 HETATM 8458 O O4 . NAG F 3 . ? -18.669 -0.925 18.757 1.00 103.96 ? 611 NAG A O4 1 HETATM 8459 O O5 . NAG F 3 . ? -16.771 -0.694 15.661 1.00 78.10 ? 611 NAG A O5 1 HETATM 8460 O O6 . NAG F 3 . ? -16.032 1.600 16.867 1.00 96.50 ? 611 NAG A O6 1 HETATM 8461 O O7 . NAG F 3 . ? -16.967 -5.365 14.762 1.00 72.51 ? 611 NAG A O7 1 HETATM 8462 C C1 . NAG G 3 . ? -19.415 -1.795 19.653 1.00 106.86 ? 612 NAG A C1 1 HETATM 8463 C C2 . NAG G 3 . ? -18.553 -2.720 20.530 1.00 110.02 ? 612 NAG A C2 1 HETATM 8464 C C3 . NAG G 3 . ? -18.472 -2.209 21.970 1.00 113.06 ? 612 NAG A C3 1 HETATM 8465 C C4 . NAG G 3 . ? -18.468 -0.693 22.025 1.00 108.35 ? 612 NAG A C4 1 HETATM 8466 C C5 . NAG G 3 . ? -19.781 -0.178 21.444 1.00 103.28 ? 612 NAG A C5 1 HETATM 8467 C C6 . NAG G 3 . ? -19.620 1.236 20.891 1.00 95.08 ? 612 NAG A C6 1 HETATM 8468 C C7 . NAG G 3 . ? -18.485 -5.164 20.976 1.00 101.55 ? 612 NAG A C7 1 HETATM 8469 C C8 . NAG G 3 . ? -18.555 -6.381 20.099 1.00 95.94 ? 612 NAG A C8 1 HETATM 8470 N N2 . NAG G 3 . ? -19.112 -4.069 20.530 1.00 107.81 ? 612 NAG A N2 1 HETATM 8471 O O3 . NAG G 3 . ? -17.326 -2.719 22.621 1.00 116.43 ? 612 NAG A O3 1 HETATM 8472 O O4 . NAG G 3 . ? -18.341 -0.282 23.371 1.00 109.77 ? 612 NAG A O4 1 HETATM 8473 O O5 . NAG G 3 . ? -20.323 -1.056 20.461 1.00 105.78 ? 612 NAG A O5 1 HETATM 8474 O O6 . NAG G 3 . ? -18.272 1.629 21.005 1.00 90.02 ? 612 NAG A O6 1 HETATM 8475 O O7 . NAG G 3 . ? -17.882 -5.224 22.050 1.00 102.13 ? 612 NAG A O7 1 HETATM 8476 C C1 . FUL H 4 . ? -16.994 2.633 16.604 1.00 96.66 ? 613 FUL A C1 1 HETATM 8477 C C2 . FUL H 4 . ? -16.288 3.977 16.508 1.00 96.04 ? 613 FUL A C2 1 HETATM 8478 O O2 . FUL H 4 . ? -15.175 3.885 15.652 1.00 98.81 ? 613 FUL A O2 1 HETATM 8479 C C3 . FUL H 4 . ? -17.283 4.984 15.958 1.00 98.41 ? 613 FUL A C3 1 HETATM 8480 O O3 . FUL H 4 . ? -16.681 6.256 15.866 1.00 100.51 ? 613 FUL A O3 1 HETATM 8481 C C4 . FUL H 4 . ? -18.521 5.023 16.856 1.00 100.59 ? 613 FUL A C4 1 HETATM 8482 O O4 . FUL H 4 . ? -18.233 5.729 18.044 1.00 101.32 ? 613 FUL A O4 1 HETATM 8483 C C5 . FUL H 4 . ? -19.043 3.609 17.166 1.00 99.76 ? 613 FUL A C5 1 HETATM 8484 C C6 . FUL H 4 . ? -20.161 3.628 18.208 1.00 97.12 ? 613 FUL A C6 1 HETATM 8485 O O5 . FUL H 4 . ? -17.998 2.750 17.590 1.00 96.09 ? 613 FUL A O5 1 HETATM 8486 C C1 . NAG I 3 . ? -29.138 8.752 -12.408 1.00 64.03 ? 621 NAG A C1 1 HETATM 8487 C C2 . NAG I 3 . ? -30.556 9.083 -11.946 1.00 68.22 ? 621 NAG A C2 1 HETATM 8488 C C3 . NAG I 3 . ? -31.616 8.218 -12.619 1.00 64.96 ? 621 NAG A C3 1 HETATM 8489 C C4 . NAG I 3 . ? -31.387 7.935 -14.105 1.00 70.97 ? 621 NAG A C4 1 HETATM 8490 C C5 . NAG I 3 . ? -29.893 7.874 -14.452 1.00 60.56 ? 621 NAG A C5 1 HETATM 8491 C C6 . NAG I 3 . ? -29.611 7.973 -15.948 1.00 50.25 ? 621 NAG A C6 1 HETATM 8492 C C7 . NAG I 3 . ? -30.951 9.867 -9.681 1.00 64.36 ? 621 NAG A C7 1 HETATM 8493 C C8 . NAG I 3 . ? -30.979 11.267 -10.238 1.00 56.40 ? 621 NAG A C8 1 HETATM 8494 N N2 . NAG I 3 . ? -30.665 8.880 -10.520 1.00 65.39 ? 621 NAG A N2 1 HETATM 8495 O O3 . NAG I 3 . ? -32.852 8.859 -12.439 1.00 62.67 ? 621 NAG A O3 1 HETATM 8496 O O4 . NAG I 3 . ? -31.919 6.639 -14.313 1.00 92.90 ? 621 NAG A O4 1 HETATM 8497 O O5 . NAG I 3 . ? -29.121 8.873 -13.813 1.00 61.46 ? 621 NAG A O5 1 HETATM 8498 O O6 . NAG I 3 . ? -28.225 7.825 -16.137 1.00 42.58 ? 621 NAG A O6 1 HETATM 8499 O O7 . NAG I 3 . ? -31.178 9.643 -8.490 1.00 64.18 ? 621 NAG A O7 1 HETATM 8500 C C1 . NAG J 3 . ? -32.917 6.425 -15.353 1.00 106.63 ? 622 NAG A C1 1 HETATM 8501 C C2 . NAG J 3 . ? -34.239 7.186 -15.239 1.00 114.53 ? 622 NAG A C2 1 HETATM 8502 C C3 . NAG J 3 . ? -35.212 6.745 -16.343 1.00 113.33 ? 622 NAG A C3 1 HETATM 8503 C C4 . NAG J 3 . ? -34.557 6.468 -17.701 1.00 106.68 ? 622 NAG A C4 1 HETATM 8504 C C5 . NAG J 3 . ? -33.198 5.800 -17.532 1.00 103.91 ? 622 NAG A C5 1 HETATM 8505 C C6 . NAG J 3 . ? -32.432 5.638 -18.833 1.00 98.07 ? 622 NAG A C6 1 HETATM 8506 C C7 . NAG J 3 . ? -35.749 7.730 -13.414 1.00 123.10 ? 622 NAG A C7 1 HETATM 8507 C C8 . NAG J 3 . ? -36.529 7.199 -12.245 1.00 120.95 ? 622 NAG A C8 1 HETATM 8508 N N2 . NAG J 3 . ? -34.849 6.909 -13.953 1.00 121.04 ? 622 NAG A N2 1 HETATM 8509 O O3 . NAG J 3 . ? -36.213 7.727 -16.516 1.00 114.93 ? 622 NAG A O3 1 HETATM 8510 O O4 . NAG J 3 . ? -35.400 5.625 -18.459 1.00 100.40 ? 622 NAG A O4 1 HETATM 8511 O O5 . NAG J 3 . ? -32.423 6.585 -16.664 1.00 108.47 ? 622 NAG A O5 1 HETATM 8512 O O6 . NAG J 3 . ? -31.274 4.882 -18.558 1.00 93.35 ? 622 NAG A O6 1 HETATM 8513 O O7 . NAG J 3 . ? -35.950 8.868 -13.839 1.00 124.24 ? 622 NAG A O7 1 HETATM 8514 C C1 . NAG K 3 . ? -0.055 -32.601 -20.213 1.00 97.98 ? 631 NAG A C1 1 HETATM 8515 C C2 . NAG K 3 . ? 0.249 -33.205 -21.586 1.00 110.10 ? 631 NAG A C2 1 HETATM 8516 C C3 . NAG K 3 . ? 1.181 -34.411 -21.461 1.00 120.83 ? 631 NAG A C3 1 HETATM 8517 C C4 . NAG K 3 . ? 2.406 -34.089 -20.594 1.00 126.14 ? 631 NAG A C4 1 HETATM 8518 C C5 . NAG K 3 . ? 2.025 -33.404 -19.287 1.00 119.05 ? 631 NAG A C5 1 HETATM 8519 C C6 . NAG K 3 . ? 3.293 -32.836 -18.660 1.00 123.48 ? 631 NAG A C6 1 HETATM 8520 C C7 . NAG K 3 . ? -1.787 -32.687 -22.840 1.00 105.80 ? 631 NAG A C7 1 HETATM 8521 C C8 . NAG K 3 . ? -3.111 -33.191 -23.341 1.00 103.75 ? 631 NAG A C8 1 HETATM 8522 N N2 . NAG K 3 . ? -0.982 -33.585 -22.267 1.00 108.50 ? 631 NAG A N2 1 HETATM 8523 O O3 . NAG K 3 . ? 1.558 -34.832 -22.759 1.00 122.21 ? 631 NAG A O3 1 HETATM 8524 O O4 . NAG K 3 . ? 3.141 -35.253 -20.255 1.00 137.35 ? 631 NAG A O4 1 HETATM 8525 O O5 . NAG K 3 . ? 1.129 -32.331 -19.488 1.00 111.07 ? 631 NAG A O5 1 HETATM 8526 O O6 . NAG K 3 . ? 3.823 -33.685 -17.661 1.00 128.07 ? 631 NAG A O6 1 HETATM 8527 O O7 . NAG K 3 . ? -1.490 -31.495 -22.958 1.00 103.45 ? 631 NAG A O7 1 HETATM 8528 C C1 . NAG L 3 . ? 4.269 -35.462 -21.138 1.00 145.88 ? 632 NAG A C1 1 HETATM 8529 C C2 . NAG L 3 . ? 5.586 -34.966 -20.517 1.00 149.60 ? 632 NAG A C2 1 HETATM 8530 C C3 . NAG L 3 . ? 6.512 -36.133 -20.176 1.00 149.54 ? 632 NAG A C3 1 HETATM 8531 C C4 . NAG L 3 . ? 5.727 -37.287 -19.569 1.00 147.64 ? 632 NAG A C4 1 HETATM 8532 C C5 . NAG L 3 . ? 4.674 -37.785 -20.552 1.00 148.36 ? 632 NAG A C5 1 HETATM 8533 C C6 . NAG L 3 . ? 3.414 -38.244 -19.820 1.00 150.44 ? 632 NAG A C6 1 HETATM 8534 C C7 . NAG L 3 . ? 7.338 -33.309 -21.005 1.00 149.45 ? 632 NAG A C7 1 HETATM 8535 C C8 . NAG L 3 . ? 8.324 -32.932 -22.073 1.00 146.79 ? 632 NAG A C8 1 HETATM 8536 N N2 . NAG L 3 . ? 6.273 -34.022 -21.391 1.00 151.05 ? 632 NAG A N2 1 HETATM 8537 O O3 . NAG L 3 . ? 7.520 -35.720 -19.277 1.00 148.87 ? 632 NAG A O3 1 HETATM 8538 O O4 . NAG L 3 . ? 6.608 -38.346 -19.264 1.00 146.57 ? 632 NAG A O4 1 HETATM 8539 O O5 . NAG L 3 . ? 4.383 -36.815 -21.552 1.00 147.73 ? 632 NAG A O5 1 HETATM 8540 O O6 . NAG L 3 . ? 2.472 -38.730 -20.751 1.00 153.02 ? 632 NAG A O6 1 HETATM 8541 O O7 . NAG L 3 . ? 7.536 -32.961 -19.841 1.00 149.42 ? 632 NAG A O7 1 HETATM 8542 C C1 . FUL M 4 . ? 4.081 -32.902 -16.470 1.00 131.19 ? 633 FUL A C1 1 HETATM 8543 C C2 . FUL M 4 . ? 5.484 -32.286 -16.413 1.00 130.29 ? 633 FUL A C2 1 HETATM 8544 O O2 . FUL M 4 . ? 5.938 -31.760 -17.643 1.00 129.15 ? 633 FUL A O2 1 HETATM 8545 C C3 . FUL M 4 . ? 5.442 -31.194 -15.352 1.00 130.47 ? 633 FUL A C3 1 HETATM 8546 O O3 . FUL M 4 . ? 6.706 -30.573 -15.238 1.00 129.68 ? 633 FUL A O3 1 HETATM 8547 C C4 . FUL M 4 . ? 4.995 -31.789 -14.013 1.00 131.31 ? 633 FUL A C4 1 HETATM 8548 O O4 . FUL M 4 . ? 6.049 -32.514 -13.415 1.00 132.75 ? 633 FUL A O4 1 HETATM 8549 C C5 . FUL M 4 . ? 3.765 -32.693 -14.157 1.00 129.74 ? 633 FUL A C5 1 HETATM 8550 C C6 . FUL M 4 . ? 3.526 -33.491 -12.882 1.00 125.87 ? 633 FUL A C6 1 HETATM 8551 O O5 . FUL M 4 . ? 3.884 -33.590 -15.249 1.00 131.60 ? 633 FUL A O5 1 HETATM 8552 C C1 . NAG N 3 . ? 25.694 -7.347 -15.032 1.00 58.96 ? 651 NAG A C1 1 HETATM 8553 C C2 . NAG N 3 . ? 26.588 -7.980 -16.107 1.00 67.46 ? 651 NAG A C2 1 HETATM 8554 C C3 . NAG N 3 . ? 26.230 -9.453 -16.324 1.00 74.62 ? 651 NAG A C3 1 HETATM 8555 C C4 . NAG N 3 . ? 25.969 -10.147 -14.981 1.00 85.43 ? 651 NAG A C4 1 HETATM 8556 C C5 . NAG N 3 . ? 24.885 -9.407 -14.191 1.00 79.16 ? 651 NAG A C5 1 HETATM 8557 C C6 . NAG N 3 . ? 25.309 -9.123 -12.750 1.00 84.27 ? 651 NAG A C6 1 HETATM 8558 C C7 . NAG N 3 . ? 27.449 -6.488 -17.844 1.00 82.03 ? 651 NAG A C7 1 HETATM 8559 C C8 . NAG N 3 . ? 28.537 -7.215 -18.591 1.00 87.48 ? 651 NAG A C8 1 HETATM 8560 N N2 . NAG N 3 . ? 26.466 -7.249 -17.357 1.00 78.66 ? 651 NAG A N2 1 HETATM 8561 O O3 . NAG N 3 . ? 27.258 -10.125 -17.034 1.00 69.98 ? 651 NAG A O3 1 HETATM 8562 O O4 . NAG N 3 . ? 25.611 -11.504 -15.178 1.00 91.43 ? 651 NAG A O4 1 HETATM 8563 O O5 . NAG N 3 . ? 24.573 -8.184 -14.832 1.00 68.95 ? 651 NAG A O5 1 HETATM 8564 O O6 . NAG N 3 . ? 25.117 -10.264 -11.943 1.00 87.76 ? 651 NAG A O6 1 HETATM 8565 O O7 . NAG N 3 . ? 27.475 -5.260 -17.703 1.00 70.47 ? 651 NAG A O7 1 HETATM 8566 C C1 . NAG O 3 . ? -16.693 16.424 -23.242 1.00 50.03 ? 671 NAG A C1 1 HETATM 8567 C C2 . NAG O 3 . ? -17.350 17.629 -22.574 1.00 51.12 ? 671 NAG A C2 1 HETATM 8568 C C3 . NAG O 3 . ? -18.762 17.295 -22.117 1.00 59.60 ? 671 NAG A C3 1 HETATM 8569 C C4 . NAG O 3 . ? -19.603 16.692 -23.248 1.00 58.52 ? 671 NAG A C4 1 HETATM 8570 C C5 . NAG O 3 . ? -18.824 15.644 -24.052 1.00 65.47 ? 671 NAG A C5 1 HETATM 8571 C C6 . NAG O 3 . ? -19.585 15.353 -25.348 1.00 71.17 ? 671 NAG A C6 1 HETATM 8572 C C7 . NAG O 3 . ? -15.605 19.014 -21.579 1.00 57.58 ? 671 NAG A C7 1 HETATM 8573 C C8 . NAG O 3 . ? -15.038 19.614 -20.316 1.00 43.36 ? 671 NAG A C8 1 HETATM 8574 N N2 . NAG O 3 . ? -16.570 18.093 -21.436 1.00 60.36 ? 671 NAG A N2 1 HETATM 8575 O O3 . NAG O 3 . ? -19.335 18.476 -21.595 1.00 65.27 ? 671 NAG A O3 1 HETATM 8576 O O4 . NAG O 3 . ? -20.748 16.013 -22.763 1.00 55.44 ? 671 NAG A O4 1 HETATM 8577 O O5 . NAG O 3 . ? -17.482 16.022 -24.350 1.00 57.86 ? 671 NAG A O5 1 HETATM 8578 O O6 . NAG O 3 . ? -19.346 14.031 -25.775 1.00 71.41 ? 671 NAG A O6 1 HETATM 8579 O O7 . NAG O 3 . ? -15.174 19.355 -22.689 1.00 47.42 ? 671 NAG A O7 1 HETATM 8580 C C1 . NAG P 3 . ? -21.835 16.855 -22.333 1.00 66.88 ? 672 NAG A C1 1 HETATM 8581 C C2 . NAG P 3 . ? -23.156 16.113 -22.526 1.00 78.98 ? 672 NAG A C2 1 HETATM 8582 C C3 . NAG P 3 . ? -24.338 16.805 -21.838 1.00 87.63 ? 672 NAG A C3 1 HETATM 8583 C C4 . NAG P 3 . ? -24.031 17.483 -20.496 1.00 91.71 ? 672 NAG A C4 1 HETATM 8584 C C5 . NAG P 3 . ? -22.640 18.112 -20.498 1.00 81.21 ? 672 NAG A C5 1 HETATM 8585 C C6 . NAG P 3 . ? -22.159 18.568 -19.120 1.00 78.42 ? 672 NAG A C6 1 HETATM 8586 C C7 . NAG P 3 . ? -23.301 14.797 -24.597 1.00 84.50 ? 672 NAG A C7 1 HETATM 8587 C C8 . NAG P 3 . ? -24.146 14.593 -25.823 1.00 79.27 ? 672 NAG A C8 1 HETATM 8588 N N2 . NAG P 3 . ? -23.439 15.957 -23.946 1.00 85.64 ? 672 NAG A N2 1 HETATM 8589 O O3 . NAG P 3 . ? -25.379 15.863 -21.669 1.00 87.98 ? 672 NAG A O3 1 HETATM 8590 O O4 . NAG P 3 . ? -24.990 18.513 -20.354 1.00 108.96 ? 672 NAG A O4 1 HETATM 8591 O O5 . NAG P 3 . ? -21.694 17.186 -20.976 1.00 74.09 ? 672 NAG A O5 1 HETATM 8592 O O6 . NAG P 3 . ? -20.942 19.265 -19.267 1.00 81.26 ? 672 NAG A O6 1 HETATM 8593 O O7 . NAG P 3 . ? -22.520 13.917 -24.241 1.00 85.89 ? 672 NAG A O7 1 HETATM 8594 C C1 . MAN Q 5 . ? -25.495 18.705 -19.011 1.00 118.06 ? 673 MAN A C1 1 HETATM 8595 C C2 . MAN Q 5 . ? -27.001 18.881 -18.984 1.00 125.62 ? 673 MAN A C2 1 HETATM 8596 C C3 . MAN Q 5 . ? -27.321 19.526 -17.640 1.00 131.77 ? 673 MAN A C3 1 HETATM 8597 C C4 . MAN Q 5 . ? -26.772 18.688 -16.486 1.00 129.14 ? 673 MAN A C4 1 HETATM 8598 C C5 . MAN Q 5 . ? -25.345 18.196 -16.747 1.00 126.09 ? 673 MAN A C5 1 HETATM 8599 C C6 . MAN Q 5 . ? -24.973 17.100 -15.752 1.00 123.65 ? 673 MAN A C6 1 HETATM 8600 O O2 . MAN Q 5 . ? -27.615 17.617 -19.107 1.00 125.93 ? 673 MAN A O2 1 HETATM 8601 O O3 . MAN Q 5 . ? -28.713 19.699 -17.483 1.00 137.88 ? 673 MAN A O3 1 HETATM 8602 O O4 . MAN Q 5 . ? -26.789 19.477 -15.313 1.00 126.37 ? 673 MAN A O4 1 HETATM 8603 O O5 . MAN Q 5 . ? -25.181 17.705 -18.069 1.00 121.02 ? 673 MAN A O5 1 HETATM 8604 O O6 . MAN Q 5 . ? -23.576 16.898 -15.771 1.00 121.52 ? 673 MAN A O6 1 HETATM 8605 C C1 . NAG R 3 . ? -3.508 26.618 -23.259 1.00 92.62 ? 681 NAG A C1 1 HETATM 8606 C C2 . NAG R 3 . ? -2.524 27.795 -23.371 1.00 101.23 ? 681 NAG A C2 1 HETATM 8607 C C3 . NAG R 3 . ? -1.087 27.538 -22.861 1.00 104.80 ? 681 NAG A C3 1 HETATM 8608 C C4 . NAG R 3 . ? -0.680 26.069 -22.659 1.00 109.24 ? 681 NAG A C4 1 HETATM 8609 C C5 . NAG R 3 . ? -1.725 25.109 -23.199 1.00 105.06 ? 681 NAG A C5 1 HETATM 8610 C C6 . NAG R 3 . ? -1.377 23.673 -22.824 1.00 105.64 ? 681 NAG A C6 1 HETATM 8611 C C7 . NAG R 3 . ? -3.247 29.280 -25.175 1.00 98.19 ? 681 NAG A C7 1 HETATM 8612 C C8 . NAG R 3 . ? -3.134 29.667 -26.624 1.00 92.59 ? 681 NAG A C8 1 HETATM 8613 N N2 . NAG R 3 . ? -2.496 28.261 -24.754 1.00 101.34 ? 681 NAG A N2 1 HETATM 8614 O O3 . NAG R 3 . ? -0.906 28.231 -21.642 1.00 100.59 ? 681 NAG A O3 1 HETATM 8615 O O4 . NAG R 3 . ? 0.573 25.793 -23.260 1.00 114.31 ? 681 NAG A O4 1 HETATM 8616 O O5 . NAG R 3 . ? -2.951 25.489 -22.618 1.00 101.07 ? 681 NAG A O5 1 HETATM 8617 O O6 . NAG R 3 . ? -2.459 22.811 -23.096 1.00 106.09 ? 681 NAG A O6 1 HETATM 8618 O O7 . NAG R 3 . ? -4.011 29.889 -24.427 1.00 99.10 ? 681 NAG A O7 1 HETATM 8619 C C1 . NAG S 3 . ? 1.589 25.605 -22.249 1.00 116.16 ? 682 NAG A C1 1 HETATM 8620 C C2 . NAG S 3 . ? 2.636 24.606 -22.767 1.00 117.62 ? 682 NAG A C2 1 HETATM 8621 C C3 . NAG S 3 . ? 3.916 24.574 -21.927 1.00 115.07 ? 682 NAG A C3 1 HETATM 8622 C C4 . NAG S 3 . ? 4.375 25.976 -21.546 1.00 111.09 ? 682 NAG A C4 1 HETATM 8623 C C5 . NAG S 3 . ? 3.207 26.706 -20.893 1.00 115.19 ? 682 NAG A C5 1 HETATM 8624 C C6 . NAG S 3 . ? 3.597 28.087 -20.377 1.00 117.37 ? 682 NAG A C6 1 HETATM 8625 C C7 . NAG S 3 . ? 2.124 22.515 -23.950 1.00 121.52 ? 682 NAG A C7 1 HETATM 8626 C C8 . NAG S 3 . ? 2.305 23.238 -25.254 1.00 121.45 ? 682 NAG A C8 1 HETATM 8627 N N2 . NAG S 3 . ? 2.062 23.270 -22.850 1.00 120.30 ? 682 NAG A N2 1 HETATM 8628 O O3 . NAG S 3 . ? 4.943 23.904 -22.630 1.00 114.47 ? 682 NAG A O3 1 HETATM 8629 O O4 . NAG S 3 . ? 5.480 25.905 -20.667 1.00 104.01 ? 682 NAG A O4 1 HETATM 8630 O O5 . NAG S 3 . ? 2.159 26.833 -21.832 1.00 115.83 ? 682 NAG A O5 1 HETATM 8631 O O6 . NAG S 3 . ? 2.462 28.721 -19.827 1.00 116.32 ? 682 NAG A O6 1 HETATM 8632 O O7 . NAG S 3 . ? 2.036 21.282 -23.928 1.00 119.50 ? 682 NAG A O7 1 HETATM 8633 C C1 . FUL T 4 . ? -2.061 21.752 -23.989 1.00 105.53 ? 683 FUL A C1 1 HETATM 8634 C C2 . FUL T 4 . ? -2.495 22.045 -25.428 1.00 102.04 ? 683 FUL A C2 1 HETATM 8635 O O2 . FUL T 4 . ? -1.796 23.149 -25.962 1.00 97.66 ? 683 FUL A O2 1 HETATM 8636 C C3 . FUL T 4 . ? -2.233 20.838 -26.320 1.00 100.14 ? 683 FUL A C3 1 HETATM 8637 O O3 . FUL T 4 . ? -2.793 21.062 -27.597 1.00 95.46 ? 683 FUL A O3 1 HETATM 8638 C C4 . FUL T 4 . ? -2.790 19.561 -25.692 1.00 98.06 ? 683 FUL A C4 1 HETATM 8639 O O4 . FUL T 4 . ? -4.199 19.600 -25.625 1.00 90.52 ? 683 FUL A O4 1 HETATM 8640 C C5 . FUL T 4 . ? -2.250 19.396 -24.283 1.00 104.20 ? 683 FUL A C5 1 HETATM 8641 C C6 . FUL T 4 . ? -2.848 18.158 -23.623 1.00 106.49 ? 683 FUL A C6 1 HETATM 8642 O O5 . FUL T 4 . ? -2.618 20.533 -23.536 1.00 108.04 ? 683 FUL A O5 1 HETATM 8643 O O1 . PG4 U 6 . ? 10.178 21.826 -7.051 1.00 84.07 ? 1530 PG4 A O1 1 HETATM 8644 C C1 . PG4 U 6 . ? 9.287 21.123 -6.260 1.00 82.96 ? 1530 PG4 A C1 1 HETATM 8645 C C2 . PG4 U 6 . ? 8.877 19.760 -6.706 1.00 81.00 ? 1530 PG4 A C2 1 HETATM 8646 O O2 . PG4 U 6 . ? 9.807 18.747 -6.597 1.00 82.60 ? 1530 PG4 A O2 1 HETATM 8647 C C3 . PG4 U 6 . ? 10.528 18.398 -7.721 1.00 79.34 ? 1530 PG4 A C3 1 HETATM 8648 C C4 . PG4 U 6 . ? 11.161 17.047 -7.775 1.00 76.27 ? 1530 PG4 A C4 1 HETATM 8649 O O3 . PG4 U 6 . ? 12.367 16.936 -8.434 1.00 78.10 ? 1530 PG4 A O3 1 HETATM 8650 C C5 . PG4 U 6 . ? 12.655 15.797 -9.157 1.00 81.60 ? 1530 PG4 A C5 1 HETATM 8651 C C6 . PG4 U 6 . ? 14.080 15.577 -9.539 1.00 83.45 ? 1530 PG4 A C6 1 HETATM 8652 O O4 . PG4 U 6 . ? 14.397 14.428 -10.232 1.00 83.07 ? 1530 PG4 A O4 1 HETATM 8653 C C7 . PG4 U 6 . ? 15.700 14.204 -10.630 1.00 84.27 ? 1530 PG4 A C7 1 HETATM 8654 C C8 . PG4 U 6 . ? 16.026 12.877 -11.228 1.00 84.88 ? 1530 PG4 A C8 1 HETATM 8655 O O5 . PG4 U 6 . ? 15.763 11.753 -10.471 1.00 83.06 ? 1530 PG4 A O5 1 HETATM 8656 O O1 . PG4 V 6 . ? -21.672 -3.101 -39.573 1.00 80.13 ? 1531 PG4 A O1 1 HETATM 8657 C C1 . PG4 V 6 . ? -20.318 -3.178 -39.304 1.00 80.72 ? 1531 PG4 A C1 1 HETATM 8658 C C2 . PG4 V 6 . ? -19.494 -4.160 -40.071 1.00 82.08 ? 1531 PG4 A C2 1 HETATM 8659 O O2 . PG4 V 6 . ? -19.426 -5.459 -39.600 1.00 79.18 ? 1531 PG4 A O2 1 HETATM 8660 C C3 . PG4 V 6 . ? -18.550 -6.347 -40.185 1.00 75.61 ? 1531 PG4 A C3 1 HETATM 8661 C C4 . PG4 V 6 . ? -17.328 -6.665 -39.398 1.00 77.58 ? 1531 PG4 A C4 1 HETATM 8662 O O3 . PG4 V 6 . ? -16.520 -7.682 -39.845 1.00 80.43 ? 1531 PG4 A O3 1 HETATM 8663 C C5 . PG4 V 6 . ? -15.431 -8.042 -39.087 1.00 81.63 ? 1531 PG4 A C5 1 HETATM 8664 C C6 . PG4 V 6 . ? -15.039 -9.482 -39.051 1.00 87.75 ? 1531 PG4 A C6 1 HETATM 8665 O O4 . PG4 V 6 . ? -14.275 -9.879 -37.972 1.00 92.06 ? 1531 PG4 A O4 1 HETATM 8666 C C7 . PG4 V 6 . ? -13.318 -9.011 -37.485 1.00 84.30 ? 1531 PG4 A C7 1 HETATM 8667 C C8 . PG4 V 6 . ? -13.182 -8.853 -36.005 1.00 74.19 ? 1531 PG4 A C8 1 HETATM 8668 O O5 . PG4 V 6 . ? -14.272 -8.457 -35.251 1.00 59.91 ? 1531 PG4 A O5 1 HETATM 8669 C C1 . EDO W 7 . ? -2.514 -10.864 -32.868 1.00 68.62 ? 1532 EDO A C1 1 HETATM 8670 O O1 . EDO W 7 . ? -3.702 -11.429 -32.297 1.00 76.31 ? 1532 EDO A O1 1 HETATM 8671 C C2 . EDO W 7 . ? -1.597 -10.435 -31.727 1.00 66.58 ? 1532 EDO A C2 1 HETATM 8672 O O2 . EDO W 7 . ? -0.620 -9.488 -32.188 1.00 64.56 ? 1532 EDO A O2 1 HETATM 8673 C C1 . EDO X 7 . ? -2.304 19.741 -3.007 1.00 75.71 ? 1533 EDO A C1 1 HETATM 8674 O O1 . EDO X 7 . ? -1.195 18.846 -3.186 1.00 68.25 ? 1533 EDO A O1 1 HETATM 8675 C C2 . EDO X 7 . ? -2.910 20.098 -4.363 1.00 78.46 ? 1533 EDO A C2 1 HETATM 8676 O O2 . EDO X 7 . ? -3.890 21.139 -4.230 1.00 74.92 ? 1533 EDO A O2 1 HETATM 8677 C C1 . EDO Y 7 . ? 6.704 4.772 -7.739 1.00 71.07 ? 1534 EDO A C1 1 HETATM 8678 O O1 . EDO Y 7 . ? 7.421 5.576 -8.684 1.00 66.41 ? 1534 EDO A O1 1 HETATM 8679 C C2 . EDO Y 7 . ? 6.636 5.490 -6.390 1.00 75.12 ? 1534 EDO A C2 1 HETATM 8680 O O2 . EDO Y 7 . ? 5.769 4.774 -5.493 1.00 76.27 ? 1534 EDO A O2 1 HETATM 8681 C C1 . EDO Z 7 . ? -12.245 3.118 -41.424 1.00 84.53 ? 1535 EDO A C1 1 HETATM 8682 O O1 . EDO Z 7 . ? -13.308 2.413 -42.079 1.00 85.09 ? 1535 EDO A O1 1 HETATM 8683 C C2 . EDO Z 7 . ? -12.292 4.604 -41.779 1.00 88.05 ? 1535 EDO A C2 1 HETATM 8684 O O2 . EDO Z 7 . ? -12.275 4.786 -43.201 1.00 88.48 ? 1535 EDO A O2 1 HETATM 8685 C C1 . EDO AA 7 . ? 9.336 13.374 -21.774 1.00 77.06 ? 1536 EDO A C1 1 HETATM 8686 O O1 . EDO AA 7 . ? 10.260 12.510 -22.441 1.00 82.61 ? 1536 EDO A O1 1 HETATM 8687 C C2 . EDO AA 7 . ? 8.039 12.604 -21.563 1.00 76.79 ? 1536 EDO A C2 1 HETATM 8688 O O2 . EDO AA 7 . ? 7.214 13.291 -20.611 1.00 74.31 ? 1536 EDO A O2 1 HETATM 8689 C C1 . EDO BA 7 . ? -14.340 14.745 -29.846 1.00 58.26 ? 1537 EDO A C1 1 HETATM 8690 O O1 . EDO BA 7 . ? -13.295 13.948 -30.433 1.00 64.87 ? 1537 EDO A O1 1 HETATM 8691 C C2 . EDO BA 7 . ? -13.755 15.972 -29.153 1.00 51.93 ? 1537 EDO A C2 1 HETATM 8692 O O2 . EDO BA 7 . ? -14.725 16.508 -28.241 1.00 52.13 ? 1537 EDO A O2 1 HETATM 8693 C C1 . EDO CA 7 . ? -11.405 -5.635 6.617 1.00 65.33 ? 1538 EDO A C1 1 HETATM 8694 O O1 . EDO CA 7 . ? -12.457 -6.535 6.242 1.00 68.21 ? 1538 EDO A O1 1 HETATM 8695 C C2 . EDO CA 7 . ? -11.934 -4.597 7.602 1.00 67.55 ? 1538 EDO A C2 1 HETATM 8696 O O2 . EDO CA 7 . ? -12.835 -3.701 6.939 1.00 61.04 ? 1538 EDO A O2 1 HETATM 8697 C C1 . EDO DA 7 . ? 3.274 -13.511 -11.832 1.00 82.20 ? 1539 EDO A C1 1 HETATM 8698 O O1 . EDO DA 7 . ? 2.704 -13.775 -13.122 1.00 77.40 ? 1539 EDO A O1 1 HETATM 8699 C C2 . EDO DA 7 . ? 4.001 -12.167 -11.828 1.00 85.59 ? 1539 EDO A C2 1 HETATM 8700 O O2 . EDO DA 7 . ? 3.067 -11.080 -11.869 1.00 84.31 ? 1539 EDO A O2 1 HETATM 8701 C C1 . EDO EA 7 . ? -24.744 -9.503 -4.891 1.00 72.54 ? 1540 EDO A C1 1 HETATM 8702 O O1 . EDO EA 7 . ? -25.617 -10.646 -5.010 1.00 73.87 ? 1540 EDO A O1 1 HETATM 8703 C C2 . EDO EA 7 . ? -24.122 -9.392 -3.499 1.00 65.49 ? 1540 EDO A C2 1 HETATM 8704 O O2 . EDO EA 7 . ? -23.336 -10.557 -3.186 1.00 64.06 ? 1540 EDO A O2 1 HETATM 8705 X UNK . UNX FA 8 . ? 0.548 -5.198 -13.025 1.00 58.86 ? 1541 UNX A UNK 1 HETATM 8706 X UNK . UNX GA 8 . ? 1.436 -5.670 -11.728 1.00 54.67 ? 1542 UNX A UNK 1 HETATM 8707 X UNK . UNX HA 8 . ? 3.425 -6.931 -12.089 1.00 83.71 ? 1543 UNX A UNK 1 HETATM 8708 X UNK . UNX IA 8 . ? 3.086 -4.796 -12.542 1.00 53.05 ? 1544 UNX A UNK 1 HETATM 8709 CL CL . CL JA 9 . ? -7.470 19.603 -7.215 1.00 90.40 ? 1545 CL A CL 1 HETATM 8710 CL CL . CL KA 9 . ? -10.398 14.807 -27.039 1.00 73.46 ? 1546 CL A CL 1 HETATM 8711 CL CL . CL LA 9 . ? 21.966 3.247 -21.686 1.00 99.73 ? 1547 CL A CL 1 HETATM 8712 X UNK . UNX MA 8 . ? 3.965 20.170 -44.970 1.00 71.75 ? 1548 UNX A UNK 1 HETATM 8713 N N . GLY NA 10 . ? -7.509 5.943 0.740 1.00 42.93 ? 1643 GLY A N 1 HETATM 8714 C CA . GLY NA 10 . ? -6.695 4.928 1.385 1.00 48.55 ? 1643 GLY A CA 1 HETATM 8715 C C . GLY NA 10 . ? -5.784 5.496 2.464 1.00 58.10 ? 1643 GLY A C 1 HETATM 8716 O O . GLY NA 10 . ? -5.771 5.007 3.602 1.00 53.34 ? 1643 GLY A O 1 HETATM 8717 O OXT . GLY NA 10 . ? -5.041 6.462 2.233 1.00 50.69 ? 1643 GLY A OXT 1 HETATM 8718 N N . BAL OA 2 . ? -19.444 24.435 -46.261 1.00 55.73 ? 550 BAL B N 1 HETATM 8719 C CB . BAL OA 2 . ? -19.588 25.889 -46.214 1.00 49.38 ? 550 BAL B CB 1 HETATM 8720 C CA . BAL OA 2 . ? -20.863 26.459 -45.590 1.00 51.89 ? 550 BAL B CA 1 HETATM 8721 C C . BAL OA 2 . ? -20.736 27.405 -44.423 1.00 68.46 ? 550 BAL B C 1 HETATM 8722 O O . BAL OA 2 . ? -19.538 27.531 -44.010 1.00 79.99 ? 550 BAL B O 1 HETATM 8723 O OXT . BAL OA 2 . ? -21.735 27.310 -43.661 1.00 58.59 ? 550 BAL B OXT 1 HETATM 8724 C C1 . NAG PA 3 . ? -35.882 45.859 -16.156 1.00 96.71 ? 601 NAG B C1 1 HETATM 8725 C C2 . NAG PA 3 . ? -36.109 47.208 -16.867 1.00 109.02 ? 601 NAG B C2 1 HETATM 8726 C C3 . NAG PA 3 . ? -37.562 47.699 -17.053 1.00 104.32 ? 601 NAG B C3 1 HETATM 8727 C C4 . NAG PA 3 . ? -38.631 46.732 -16.556 1.00 101.20 ? 601 NAG B C4 1 HETATM 8728 C C5 . NAG PA 3 . ? -38.127 46.022 -15.306 1.00 104.64 ? 601 NAG B C5 1 HETATM 8729 C C6 . NAG PA 3 . ? -39.228 45.191 -14.649 1.00 106.79 ? 601 NAG B C6 1 HETATM 8730 C C7 . NAG PA 3 . ? -34.281 48.827 -16.747 1.00 119.26 ? 601 NAG B C7 1 HETATM 8731 C C8 . NAG PA 3 . ? -34.472 50.263 -17.140 1.00 117.99 ? 601 NAG B C8 1 HETATM 8732 N N2 . NAG PA 3 . ? -35.327 48.227 -16.174 1.00 116.25 ? 601 NAG B N2 1 HETATM 8733 O O3 . NAG PA 3 . ? -37.809 47.976 -18.419 1.00 97.46 ? 601 NAG B O3 1 HETATM 8734 O O4 . NAG PA 3 . ? -39.829 47.435 -16.296 1.00 94.30 ? 601 NAG B O4 1 HETATM 8735 O O5 . NAG PA 3 . ? -37.048 45.194 -15.688 1.00 103.02 ? 601 NAG B O5 1 HETATM 8736 O O6 . NAG PA 3 . ? -38.687 44.380 -13.629 1.00 104.70 ? 601 NAG B O6 1 HETATM 8737 O O7 . NAG PA 3 . ? -33.205 48.262 -16.957 1.00 120.48 ? 601 NAG B O7 1 HETATM 8738 C C1 . NAG QA 3 . ? -36.462 31.908 -12.489 1.00 102.94 ? 611 NAG B C1 1 HETATM 8739 C C2 . NAG QA 3 . ? -36.159 30.739 -11.546 1.00 107.22 ? 611 NAG B C2 1 HETATM 8740 C C3 . NAG QA 3 . ? -36.117 31.157 -10.078 1.00 111.76 ? 611 NAG B C3 1 HETATM 8741 C C4 . NAG QA 3 . ? -35.318 32.440 -9.873 1.00 114.62 ? 611 NAG B C4 1 HETATM 8742 C C5 . NAG QA 3 . ? -35.791 33.524 -10.843 1.00 113.85 ? 611 NAG B C5 1 HETATM 8743 C C6 . NAG QA 3 . ? -35.007 34.832 -10.687 1.00 110.77 ? 611 NAG B C6 1 HETATM 8744 C C7 . NAG QA 3 . ? -36.814 28.444 -12.053 1.00 107.56 ? 611 NAG B C7 1 HETATM 8745 C C8 . NAG QA 3 . ? -37.592 27.811 -13.171 1.00 107.59 ? 611 NAG B C8 1 HETATM 8746 N N2 . NAG QA 3 . ? -37.151 29.691 -11.721 1.00 109.06 ? 611 NAG B N2 1 HETATM 8747 O O3 . NAG QA 3 . ? -35.559 30.115 -9.302 1.00 113.97 ? 611 NAG B O3 1 HETATM 8748 O O4 . NAG QA 3 . ? -35.471 32.872 -8.535 1.00 116.07 ? 611 NAG B O4 1 HETATM 8749 O O5 . NAG QA 3 . ? -35.692 33.061 -12.178 1.00 113.47 ? 611 NAG B O5 1 HETATM 8750 O O6 . NAG QA 3 . ? -33.612 34.610 -10.755 1.00 107.49 ? 611 NAG B O6 1 HETATM 8751 O O7 . NAG QA 3 . ? -35.916 27.822 -11.486 1.00 103.01 ? 611 NAG B O7 1 HETATM 8752 C C1 . NAG RA 3 . ? -49.205 45.903 -37.724 1.00 75.88 ? 621 NAG B C1 1 HETATM 8753 C C2 . NAG RA 3 . ? -49.640 45.834 -39.202 1.00 84.21 ? 621 NAG B C2 1 HETATM 8754 C C3 . NAG RA 3 . ? -51.149 46.041 -39.338 1.00 86.98 ? 621 NAG B C3 1 HETATM 8755 C C4 . NAG RA 3 . ? -51.853 45.227 -38.265 1.00 87.41 ? 621 NAG B C4 1 HETATM 8756 C C5 . NAG RA 3 . ? -51.471 45.763 -36.887 1.00 88.48 ? 621 NAG B C5 1 HETATM 8757 C C6 . NAG RA 3 . ? -51.417 44.643 -35.856 1.00 91.99 ? 621 NAG B C6 1 HETATM 8758 C C7 . NAG RA 3 . ? -47.960 47.619 -39.809 1.00 96.26 ? 621 NAG B C7 1 HETATM 8759 C C8 . NAG RA 3 . ? -46.639 47.463 -40.513 1.00 97.60 ? 621 NAG B C8 1 HETATM 8760 N N2 . NAG RA 3 . ? -48.919 46.728 -40.116 1.00 89.56 ? 621 NAG B N2 1 HETATM 8761 O O3 . NAG RA 3 . ? -51.611 45.636 -40.610 1.00 88.03 ? 621 NAG B O3 1 HETATM 8762 O O4 . NAG RA 3 . ? -53.249 45.297 -38.447 1.00 86.87 ? 621 NAG B O4 1 HETATM 8763 O O5 . NAG RA 3 . ? -50.229 46.454 -36.908 1.00 85.58 ? 621 NAG B O5 1 HETATM 8764 O O6 . NAG RA 3 . ? -51.102 45.198 -34.598 1.00 92.92 ? 621 NAG B O6 1 HETATM 8765 O O7 . NAG RA 3 . ? -48.105 48.549 -39.010 1.00 94.93 ? 621 NAG B O7 1 HETATM 8766 C C1 . NAG SA 3 . ? -21.347 4.860 -52.029 1.00 71.83 ? 631 NAG B C1 1 HETATM 8767 C C2 . NAG SA 3 . ? -20.434 5.853 -52.732 1.00 84.11 ? 631 NAG B C2 1 HETATM 8768 C C3 . NAG SA 3 . ? -19.269 5.110 -53.373 1.00 84.12 ? 631 NAG B C3 1 HETATM 8769 C C4 . NAG SA 3 . ? -18.550 4.189 -52.388 1.00 91.77 ? 631 NAG B C4 1 HETATM 8770 C C5 . NAG SA 3 . ? -19.505 3.335 -51.536 1.00 91.45 ? 631 NAG B C5 1 HETATM 8771 C C6 . NAG SA 3 . ? -18.820 2.784 -50.278 1.00 100.56 ? 631 NAG B C6 1 HETATM 8772 C C7 . NAG SA 3 . ? -21.066 7.891 -53.928 1.00 106.04 ? 631 NAG B C7 1 HETATM 8773 C C8 . NAG SA 3 . ? -22.324 8.686 -54.122 1.00 107.47 ? 631 NAG B C8 1 HETATM 8774 N N2 . NAG SA 3 . ? -21.194 6.577 -53.737 1.00 96.92 ? 631 NAG B N2 1 HETATM 8775 O O3 . NAG SA 3 . ? -18.340 6.007 -53.953 1.00 76.66 ? 631 NAG B O3 1 HETATM 8776 O O4 . NAG SA 3 . ? -17.788 3.365 -53.244 1.00 97.88 ? 631 NAG B O4 1 HETATM 8777 O O5 . NAG SA 3 . ? -20.661 4.036 -51.097 1.00 83.38 ? 631 NAG B O5 1 HETATM 8778 O O6 . NAG SA 3 . ? -18.345 3.867 -49.494 1.00 107.32 ? 631 NAG B O6 1 HETATM 8779 O O7 . NAG SA 3 . ? -19.977 8.460 -53.956 1.00 111.75 ? 631 NAG B O7 1 HETATM 8780 C C1 . NAG TA 3 . ? -16.376 3.278 -52.956 1.00 101.18 ? 632 NAG B C1 1 HETATM 8781 C C2 . NAG TA 3 . ? -16.140 1.791 -53.149 1.00 103.78 ? 632 NAG B C2 1 HETATM 8782 C C3 . NAG TA 3 . ? -14.669 1.374 -53.081 1.00 109.04 ? 632 NAG B C3 1 HETATM 8783 C C4 . NAG TA 3 . ? -13.795 2.318 -53.898 1.00 109.87 ? 632 NAG B C4 1 HETATM 8784 C C5 . NAG TA 3 . ? -14.145 3.781 -53.647 1.00 109.64 ? 632 NAG B C5 1 HETATM 8785 C C6 . NAG TA 3 . ? -13.349 4.645 -54.620 1.00 113.04 ? 632 NAG B C6 1 HETATM 8786 C C7 . NAG TA 3 . ? -16.810 -0.074 -51.711 1.00 93.37 ? 632 NAG B C7 1 HETATM 8787 C C8 . NAG TA 3 . ? -16.437 -0.185 -50.260 1.00 93.20 ? 632 NAG B C8 1 HETATM 8788 N N2 . NAG TA 3 . ? -16.998 1.148 -52.172 1.00 97.49 ? 632 NAG B N2 1 HETATM 8789 O O3 . NAG TA 3 . ? -14.534 0.084 -53.633 1.00 109.63 ? 632 NAG B O3 1 HETATM 8790 O O4 . NAG TA 3 . ? -12.426 2.092 -53.611 1.00 109.21 ? 632 NAG B O4 1 HETATM 8791 O O5 . NAG TA 3 . ? -15.533 4.033 -53.807 1.00 105.14 ? 632 NAG B O5 1 HETATM 8792 O O6 . NAG TA 3 . ? -13.367 5.988 -54.194 1.00 112.49 ? 632 NAG B O6 1 HETATM 8793 O O7 . NAG TA 3 . ? -16.943 -1.062 -52.428 1.00 90.39 ? 632 NAG B O7 1 HETATM 8794 C C1 . FUL UA 4 . ? -17.329 3.519 -48.519 1.00 107.45 ? 633 FUL B C1 1 HETATM 8795 C C2 . FUL UA 4 . ? -18.005 3.370 -47.153 1.00 106.62 ? 633 FUL B C2 1 HETATM 8796 O O2 . FUL UA 4 . ? -18.816 2.211 -47.118 1.00 112.14 ? 633 FUL B O2 1 HETATM 8797 C C3 . FUL UA 4 . ? -16.997 3.284 -46.015 1.00 100.33 ? 633 FUL B C3 1 HETATM 8798 O O3 . FUL UA 4 . ? -17.720 3.331 -44.804 1.00 96.14 ? 633 FUL B O3 1 HETATM 8799 C C4 . FUL UA 4 . ? -16.067 4.478 -46.079 1.00 101.53 ? 633 FUL B C4 1 HETATM 8800 O O4 . FUL UA 4 . ? -16.847 5.624 -45.879 1.00 100.09 ? 633 FUL B O4 1 HETATM 8801 C C5 . FUL UA 4 . ? -15.399 4.589 -47.446 1.00 109.21 ? 633 FUL B C5 1 HETATM 8802 C C6 . FUL UA 4 . ? -14.634 5.917 -47.534 1.00 106.36 ? 633 FUL B C6 1 HETATM 8803 O O5 . FUL UA 4 . ? -16.349 4.549 -48.505 1.00 109.94 ? 633 FUL B O5 1 HETATM 8804 C C1 . NAG VA 3 . ? -37.817 -5.653 -41.903 1.00 72.91 ? 641 NAG B C1 1 HETATM 8805 C C2 . NAG VA 3 . ? -39.273 -6.083 -41.689 1.00 82.10 ? 641 NAG B C2 1 HETATM 8806 C C3 . NAG VA 3 . ? -39.615 -6.584 -40.286 1.00 84.66 ? 641 NAG B C3 1 HETATM 8807 C C4 . NAG VA 3 . ? -38.490 -7.412 -39.695 1.00 91.17 ? 641 NAG B C4 1 HETATM 8808 C C5 . NAG VA 3 . ? -37.172 -6.658 -39.806 1.00 89.96 ? 641 NAG B C5 1 HETATM 8809 C C6 . NAG VA 3 . ? -36.015 -7.455 -39.218 1.00 99.24 ? 641 NAG B C6 1 HETATM 8810 C C7 . NAG VA 3 . ? -40.287 -4.574 -43.285 1.00 99.01 ? 641 NAG B C7 1 HETATM 8811 C C8 . NAG VA 3 . ? -40.802 -3.180 -43.515 1.00 102.44 ? 641 NAG B C8 1 HETATM 8812 N N2 . NAG VA 3 . ? -40.129 -4.956 -42.018 1.00 89.53 ? 641 NAG B N2 1 HETATM 8813 O O3 . NAG VA 3 . ? -40.793 -7.365 -40.326 1.00 83.80 ? 641 NAG B O3 1 HETATM 8814 O O4 . NAG VA 3 . ? -38.781 -7.671 -38.337 1.00 102.15 ? 641 NAG B O4 1 HETATM 8815 O O5 . NAG VA 3 . ? -36.839 -6.343 -41.146 1.00 81.13 ? 641 NAG B O5 1 HETATM 8816 O O6 . NAG VA 3 . ? -35.429 -8.237 -40.232 1.00 108.72 ? 641 NAG B O6 1 HETATM 8817 O O7 . NAG VA 3 . ? -40.009 -5.307 -44.237 1.00 101.53 ? 641 NAG B O7 1 HETATM 8818 C C1 . NAG WA 3 . ? -39.080 -9.071 -38.144 1.00 113.01 ? 642 NAG B C1 1 HETATM 8819 C C2 . NAG WA 3 . ? -38.669 -9.514 -36.740 1.00 118.77 ? 642 NAG B C2 1 HETATM 8820 C C3 . NAG WA 3 . ? -38.858 -11.022 -36.613 1.00 117.05 ? 642 NAG B C3 1 HETATM 8821 C C4 . NAG WA 3 . ? -40.321 -11.341 -36.896 1.00 115.22 ? 642 NAG B C4 1 HETATM 8822 C C5 . NAG WA 3 . ? -40.703 -10.792 -38.273 1.00 115.85 ? 642 NAG B C5 1 HETATM 8823 C C6 . NAG WA 3 . ? -42.169 -11.039 -38.610 1.00 113.10 ? 642 NAG B C6 1 HETATM 8824 C C7 . NAG WA 3 . ? -37.086 -8.194 -35.466 1.00 126.07 ? 642 NAG B C7 1 HETATM 8825 C C8 . NAG WA 3 . ? -35.831 -8.355 -34.659 1.00 125.19 ? 642 NAG B C8 1 HETATM 8826 N N2 . NAG WA 3 . ? -37.313 -9.106 -36.413 1.00 124.09 ? 642 NAG B N2 1 HETATM 8827 O O3 . NAG WA 3 . ? -38.484 -11.471 -35.328 1.00 117.28 ? 642 NAG B O3 1 HETATM 8828 O O4 . NAG WA 3 . ? -40.537 -12.734 -36.830 1.00 112.50 ? 642 NAG B O4 1 HETATM 8829 O O5 . NAG WA 3 . ? -40.438 -9.401 -38.358 1.00 115.65 ? 642 NAG B O5 1 HETATM 8830 O O6 . NAG WA 3 . ? -42.437 -10.530 -39.900 1.00 110.46 ? 642 NAG B O6 1 HETATM 8831 O O7 . NAG WA 3 . ? -37.850 -7.255 -35.238 1.00 126.81 ? 642 NAG B O7 1 HETATM 8832 C C1 . FUL XA 4 . ? -35.785 -9.609 -40.017 1.00 119.17 ? 643 FUL B C1 1 HETATM 8833 C C2 . FUL XA 4 . ? -34.653 -10.352 -39.308 1.00 124.68 ? 643 FUL B C2 1 HETATM 8834 O O2 . FUL XA 4 . ? -34.294 -9.733 -38.092 1.00 126.15 ? 643 FUL B O2 1 HETATM 8835 C C3 . FUL XA 4 . ? -35.107 -11.778 -39.039 1.00 127.17 ? 643 FUL B C3 1 HETATM 8836 O O3 . FUL XA 4 . ? -34.066 -12.512 -38.430 1.00 127.18 ? 643 FUL B O3 1 HETATM 8837 C C4 . FUL XA 4 . ? -35.527 -12.406 -40.363 1.00 126.80 ? 643 FUL B C4 1 HETATM 8838 O O4 . FUL XA 4 . ? -34.416 -12.446 -41.234 1.00 125.80 ? 643 FUL B O4 1 HETATM 8839 C C5 . FUL XA 4 . ? -36.629 -11.562 -40.996 1.00 123.58 ? 643 FUL B C5 1 HETATM 8840 C C6 . FUL XA 4 . ? -37.115 -12.152 -42.314 1.00 119.74 ? 643 FUL B C6 1 HETATM 8841 O O5 . FUL XA 4 . ? -36.129 -10.262 -41.222 1.00 124.23 ? 643 FUL B O5 1 HETATM 8842 C C1 . NAG YA 3 . ? 3.948 27.179 -44.052 1.00 56.30 ? 651 NAG B C1 1 HETATM 8843 C C2 . NAG YA 3 . ? 5.039 26.651 -45.002 1.00 65.62 ? 651 NAG B C2 1 HETATM 8844 C C3 . NAG YA 3 . ? 4.750 25.266 -45.583 1.00 68.34 ? 651 NAG B C3 1 HETATM 8845 C C4 . NAG YA 3 . ? 4.312 24.290 -44.509 1.00 69.73 ? 651 NAG B C4 1 HETATM 8846 C C5 . NAG YA 3 . ? 3.124 24.900 -43.773 1.00 69.60 ? 651 NAG B C5 1 HETATM 8847 C C6 . NAG YA 3 . ? 2.584 23.957 -42.699 1.00 78.06 ? 651 NAG B C6 1 HETATM 8848 C C7 . NAG YA 3 . ? 6.418 28.173 -46.286 1.00 79.48 ? 651 NAG B C7 1 HETATM 8849 C C8 . NAG YA 3 . ? 6.389 29.530 -46.929 1.00 74.59 ? 651 NAG B C8 1 HETATM 8850 N N2 . NAG YA 3 . ? 5.248 27.571 -46.104 1.00 72.01 ? 651 NAG B N2 1 HETATM 8851 O O3 . NAG YA 3 . ? 5.903 24.770 -46.218 1.00 72.43 ? 651 NAG B O3 1 HETATM 8852 O O4 . NAG YA 3 . ? 3.966 23.051 -45.104 1.00 71.69 ? 651 NAG B O4 1 HETATM 8853 O O5 . NAG YA 3 . ? 3.480 26.143 -43.190 1.00 64.03 ? 651 NAG B O5 1 HETATM 8854 O O6 . NAG YA 3 . ? 3.515 23.746 -41.654 1.00 80.90 ? 651 NAG B O6 1 HETATM 8855 O O7 . NAG YA 3 . ? 7.481 27.655 -45.949 1.00 87.20 ? 651 NAG B O7 1 HETATM 8856 C C1 . NAG ZA 3 . ? -9.604 44.726 -26.363 1.00 72.71 ? 661 NAG B C1 1 HETATM 8857 C C2 . NAG ZA 3 . ? -10.348 43.587 -25.640 1.00 71.59 ? 661 NAG B C2 1 HETATM 8858 C C3 . NAG ZA 3 . ? -10.084 43.567 -24.135 1.00 81.17 ? 661 NAG B C3 1 HETATM 8859 C C4 . NAG ZA 3 . ? -8.603 43.606 -23.812 1.00 90.65 ? 661 NAG B C4 1 HETATM 8860 C C5 . NAG ZA 3 . ? -7.922 44.726 -24.593 1.00 88.73 ? 661 NAG B C5 1 HETATM 8861 C C6 . NAG ZA 3 . ? -6.412 44.617 -24.344 1.00 95.83 ? 661 NAG B C6 1 HETATM 8862 C C7 . NAG ZA 3 . ? -12.446 42.751 -26.578 1.00 74.53 ? 661 NAG B C7 1 HETATM 8863 C C8 . NAG ZA 3 . ? -13.913 42.603 -26.292 1.00 67.33 ? 661 NAG B C8 1 HETATM 8864 N N2 . NAG ZA 3 . ? -11.785 43.658 -25.850 1.00 72.24 ? 661 NAG B N2 1 HETATM 8865 O O3 . NAG ZA 3 . ? -10.637 42.419 -23.535 1.00 78.65 ? 661 NAG B O3 1 HETATM 8866 O O4 . NAG ZA 3 . ? -8.453 43.841 -22.424 1.00 101.43 ? 661 NAG B O4 1 HETATM 8867 O O5 . NAG ZA 3 . ? -8.229 44.679 -25.984 1.00 82.03 ? 661 NAG B O5 1 HETATM 8868 O O6 . NAG ZA 3 . ? -5.642 44.741 -25.521 1.00 111.46 ? 661 NAG B O6 1 HETATM 8869 O O7 . NAG ZA 3 . ? -11.914 42.057 -27.451 1.00 78.63 ? 661 NAG B O7 1 HETATM 8870 C C1 . NAG AB 3 . ? -7.814 42.756 -21.715 1.00 106.19 ? 662 NAG B C1 1 HETATM 8871 C C2 . NAG AB 3 . ? -7.899 43.016 -20.202 1.00 104.03 ? 662 NAG B C2 1 HETATM 8872 C C3 . NAG AB 3 . ? -7.294 41.864 -19.385 1.00 110.06 ? 662 NAG B C3 1 HETATM 8873 C C4 . NAG AB 3 . ? -7.819 40.516 -19.871 1.00 118.41 ? 662 NAG B C4 1 HETATM 8874 C C5 . NAG AB 3 . ? -7.673 40.406 -21.390 1.00 119.12 ? 662 NAG B C5 1 HETATM 8875 C C6 . NAG AB 3 . ? -8.221 39.075 -21.900 1.00 120.30 ? 662 NAG B C6 1 HETATM 8876 C C7 . NAG AB 3 . ? -6.346 44.993 -20.319 1.00 88.01 ? 662 NAG B C7 1 HETATM 8877 C C8 . NAG AB 3 . ? -5.010 44.320 -20.497 1.00 89.48 ? 662 NAG B C8 1 HETATM 8878 N N2 . NAG AB 3 . ? -7.352 44.308 -19.773 1.00 90.18 ? 662 NAG B N2 1 HETATM 8879 O O3 . NAG AB 3 . ? -7.591 42.012 -18.011 1.00 103.45 ? 662 NAG B O3 1 HETATM 8880 O O4 . NAG AB 3 . ? -7.125 39.464 -19.226 1.00 119.72 ? 662 NAG B O4 1 HETATM 8881 O O5 . NAG AB 3 . ? -8.337 41.481 -22.037 1.00 114.20 ? 662 NAG B O5 1 HETATM 8882 O O6 . NAG AB 3 . ? -7.839 38.885 -23.247 1.00 121.53 ? 662 NAG B O6 1 HETATM 8883 O O7 . NAG AB 3 . ? -6.474 46.169 -20.651 1.00 90.19 ? 662 NAG B O7 1 HETATM 8884 C C1 . FUL BB 4 . ? -5.048 43.494 -25.983 1.00 124.16 ? 663 FUL B C1 1 HETATM 8885 C C2 . FUL BB 4 . ? -5.897 42.228 -25.765 1.00 130.11 ? 663 FUL B C2 1 HETATM 8886 O O2 . FUL BB 4 . ? -7.120 42.314 -26.467 1.00 132.65 ? 663 FUL B O2 1 HETATM 8887 C C3 . FUL BB 4 . ? -5.182 40.976 -26.254 1.00 129.02 ? 663 FUL B C3 1 HETATM 8888 O O3 . FUL BB 4 . ? -5.902 39.837 -25.835 1.00 127.14 ? 663 FUL B O3 1 HETATM 8889 C C4 . FUL BB 4 . ? -3.763 40.942 -25.707 1.00 129.43 ? 663 FUL B C4 1 HETATM 8890 O O4 . FUL BB 4 . ? -3.831 40.778 -24.308 1.00 131.99 ? 663 FUL B O4 1 HETATM 8891 C C5 . FUL BB 4 . ? -3.063 42.254 -26.046 1.00 125.67 ? 663 FUL B C5 1 HETATM 8892 C C6 . FUL BB 4 . ? -1.601 42.262 -25.613 1.00 124.33 ? 663 FUL B C6 1 HETATM 8893 O O5 . FUL BB 4 . ? -3.762 43.308 -25.419 1.00 124.50 ? 663 FUL B O5 1 HETATM 8894 C C1 . NAG CB 3 . ? -36.035 55.051 -47.344 1.00 92.57 ? 671 NAG B C1 1 HETATM 8895 C C2 . NAG CB 3 . ? -36.579 56.442 -47.696 1.00 105.32 ? 671 NAG B C2 1 HETATM 8896 C C3 . NAG CB 3 . ? -37.913 56.717 -46.985 1.00 106.72 ? 671 NAG B C3 1 HETATM 8897 C C4 . NAG CB 3 . ? -38.923 55.579 -47.180 1.00 104.02 ? 671 NAG B C4 1 HETATM 8898 C C5 . NAG CB 3 . ? -38.234 54.211 -47.113 1.00 98.86 ? 671 NAG B C5 1 HETATM 8899 C C6 . NAG CB 3 . ? -38.098 53.501 -48.472 1.00 95.56 ? 671 NAG B C6 1 HETATM 8900 C C7 . NAG CB 3 . ? -34.550 57.662 -48.231 1.00 111.41 ? 671 NAG B C7 1 HETATM 8901 C C8 . NAG CB 3 . ? -33.615 58.777 -47.869 1.00 108.21 ? 671 NAG B C8 1 HETATM 8902 N N2 . NAG CB 3 . ? -35.579 57.457 -47.405 1.00 108.91 ? 671 NAG B N2 1 HETATM 8903 O O3 . NAG CB 3 . ? -38.486 57.917 -47.464 1.00 103.68 ? 671 NAG B O3 1 HETATM 8904 O O4 . NAG CB 3 . ? -39.941 55.674 -46.197 1.00 99.78 ? 671 NAG B O4 1 HETATM 8905 O O5 . NAG CB 3 . ? -36.964 54.384 -46.509 1.00 94.47 ? 671 NAG B O5 1 HETATM 8906 O O6 . NAG CB 3 . ? -39.359 53.204 -49.031 1.00 94.21 ? 671 NAG B O6 1 HETATM 8907 O O7 . NAG CB 3 . ? -34.348 56.981 -49.242 1.00 112.39 ? 671 NAG B O7 1 HETATM 8908 C C1 . PEG DB 11 . ? -42.575 29.062 -51.237 1.00 76.67 ? 1530 PEG B C1 1 HETATM 8909 O O1 . PEG DB 11 . ? -42.501 29.976 -50.197 1.00 66.25 ? 1530 PEG B O1 1 HETATM 8910 C C2 . PEG DB 11 . ? -43.467 29.313 -52.411 1.00 86.62 ? 1530 PEG B C2 1 HETATM 8911 O O2 . PEG DB 11 . ? -44.837 29.217 -52.245 1.00 95.69 ? 1530 PEG B O2 1 HETATM 8912 C C3 . PEG DB 11 . ? -45.544 28.320 -53.018 1.00 97.35 ? 1530 PEG B C3 1 HETATM 8913 C C4 . PEG DB 11 . ? -45.204 28.269 -54.468 1.00 98.97 ? 1530 PEG B C4 1 HETATM 8914 O O4 . PEG DB 11 . ? -44.654 27.096 -54.936 1.00 100.23 ? 1530 PEG B O4 1 HETATM 8915 C C1 . PEG EB 11 . ? -15.278 38.365 -32.294 1.00 73.93 ? 1531 PEG B C1 1 HETATM 8916 O O1 . PEG EB 11 . ? -15.332 38.544 -30.934 1.00 81.10 ? 1531 PEG B O1 1 HETATM 8917 C C2 . PEG EB 11 . ? -13.919 38.310 -32.894 1.00 72.49 ? 1531 PEG B C2 1 HETATM 8918 O O2 . PEG EB 11 . ? -13.829 38.443 -34.262 1.00 70.23 ? 1531 PEG B O2 1 HETATM 8919 C C3 . PEG EB 11 . ? -12.631 38.881 -34.770 1.00 80.02 ? 1531 PEG B C3 1 HETATM 8920 C C4 . PEG EB 11 . ? -12.655 39.780 -35.959 1.00 88.15 ? 1531 PEG B C4 1 HETATM 8921 O O4 . PEG EB 11 . ? -13.200 41.042 -35.820 1.00 89.69 ? 1531 PEG B O4 1 HETATM 8922 C C1 . EDO FB 7 . ? -11.100 27.485 -72.647 1.00 64.57 ? 1532 EDO B C1 1 HETATM 8923 O O1 . EDO FB 7 . ? -11.195 28.849 -72.200 1.00 79.25 ? 1532 EDO B O1 1 HETATM 8924 C C2 . EDO FB 7 . ? -11.413 26.539 -71.491 1.00 62.02 ? 1532 EDO B C2 1 HETATM 8925 O O2 . EDO FB 7 . ? -10.612 26.881 -70.351 1.00 69.96 ? 1532 EDO B O2 1 HETATM 8926 C C1 . EDO GB 7 . ? -44.796 25.751 -31.646 1.00 73.06 ? 1533 EDO B C1 1 HETATM 8927 O O1 . EDO GB 7 . ? -44.673 24.328 -31.497 1.00 65.42 ? 1533 EDO B O1 1 HETATM 8928 C C2 . EDO GB 7 . ? -45.209 26.112 -33.069 1.00 74.28 ? 1533 EDO B C2 1 HETATM 8929 O O2 . EDO GB 7 . ? -46.508 25.573 -33.345 1.00 76.28 ? 1533 EDO B O2 1 HETATM 8930 C C1 . EDO HB 7 . ? -15.127 50.821 -31.879 1.00 65.85 ? 1534 EDO B C1 1 HETATM 8931 O O1 . EDO HB 7 . ? -15.293 49.815 -30.863 1.00 55.48 ? 1534 EDO B O1 1 HETATM 8932 C C2 . EDO HB 7 . ? -15.687 52.145 -31.388 1.00 69.55 ? 1534 EDO B C2 1 HETATM 8933 O O2 . EDO HB 7 . ? -17.027 51.882 -30.964 1.00 73.08 ? 1534 EDO B O2 1 HETATM 8934 C C1 . EDO IB 7 . ? -41.860 12.205 -46.875 1.00 76.19 ? 1535 EDO B C1 1 HETATM 8935 O O1 . EDO IB 7 . ? -41.596 11.217 -45.865 1.00 68.50 ? 1535 EDO B O1 1 HETATM 8936 C C2 . EDO IB 7 . ? -41.919 11.543 -48.251 1.00 77.50 ? 1535 EDO B C2 1 HETATM 8937 O O2 . EDO IB 7 . ? -42.535 12.404 -49.220 1.00 75.47 ? 1535 EDO B O2 1 HETATM 8938 C C1 . EDO JB 7 . ? -14.155 23.492 -42.160 1.00 74.01 ? 1536 EDO B C1 1 HETATM 8939 O O1 . EDO JB 7 . ? -13.208 22.599 -42.755 1.00 73.79 ? 1536 EDO B O1 1 HETATM 8940 C C2 . EDO JB 7 . ? -13.600 24.913 -42.139 1.00 65.90 ? 1536 EDO B C2 1 HETATM 8941 O O2 . EDO JB 7 . ? -14.586 25.769 -41.553 1.00 64.23 ? 1536 EDO B O2 1 HETATM 8942 C C1 . EDO KB 7 . ? -29.581 6.323 -27.218 1.00 76.22 ? 1537 EDO B C1 1 HETATM 8943 O O1 . EDO KB 7 . ? -28.186 6.451 -27.525 1.00 77.58 ? 1537 EDO B O1 1 HETATM 8944 C C2 . EDO KB 7 . ? -30.124 7.703 -26.879 1.00 73.67 ? 1537 EDO B C2 1 HETATM 8945 O O2 . EDO KB 7 . ? -29.097 8.415 -26.179 1.00 69.71 ? 1537 EDO B O2 1 HETATM 8946 C C1 . EDO LB 7 . ? -16.582 21.631 -52.807 1.00 65.68 ? 1538 EDO B C1 1 HETATM 8947 O O1 . EDO LB 7 . ? -17.947 21.834 -53.199 1.00 64.21 ? 1538 EDO B O1 1 HETATM 8948 C C2 . EDO LB 7 . ? -15.632 22.408 -53.711 1.00 67.36 ? 1538 EDO B C2 1 HETATM 8949 O O2 . EDO LB 7 . ? -14.283 22.173 -53.291 1.00 69.10 ? 1538 EDO B O2 1 HETATM 8950 C C1 . EDO MB 7 . ? -39.194 15.103 -32.937 1.00 61.14 ? 1539 EDO B C1 1 HETATM 8951 O O1 . EDO MB 7 . ? -38.074 14.950 -33.817 1.00 61.53 ? 1539 EDO B O1 1 HETATM 8952 C C2 . EDO MB 7 . ? -38.974 16.319 -32.043 1.00 59.12 ? 1539 EDO B C2 1 HETATM 8953 O O2 . EDO MB 7 . ? -40.229 16.912 -31.707 1.00 57.50 ? 1539 EDO B O2 1 HETATM 8954 C C1 . EDO NB 7 . ? -14.817 21.636 -38.620 1.00 81.87 ? 1540 EDO B C1 1 HETATM 8955 O O1 . EDO NB 7 . ? -13.392 21.640 -38.785 1.00 81.90 ? 1540 EDO B O1 1 HETATM 8956 C C2 . EDO NB 7 . ? -15.209 20.560 -37.611 1.00 74.37 ? 1540 EDO B C2 1 HETATM 8957 O O2 . EDO NB 7 . ? -16.617 20.626 -37.352 1.00 67.89 ? 1540 EDO B O2 1 HETATM 8958 C C1 . EDO OB 7 . ? -26.353 25.153 -21.375 1.00 74.19 ? 1541 EDO B C1 1 HETATM 8959 O O1 . EDO OB 7 . ? -24.943 25.327 -21.203 1.00 75.27 ? 1541 EDO B O1 1 HETATM 8960 C C2 . EDO OB 7 . ? -27.078 26.028 -20.362 1.00 76.30 ? 1541 EDO B C2 1 HETATM 8961 O O2 . EDO OB 7 . ? -28.434 25.588 -20.263 1.00 78.75 ? 1541 EDO B O2 1 HETATM 8962 X UNK . UNX PB 8 . ? -21.005 30.154 -40.370 1.00 59.89 ? 1542 UNX B UNK 1 HETATM 8963 X UNK . UNX QB 8 . ? -18.896 29.032 -39.560 1.00 43.36 ? 1543 UNX B UNK 1 HETATM 8964 X UNK . UNX RB 8 . ? -19.400 30.107 -41.181 1.00 67.99 ? 1544 UNX B UNK 1 HETATM 8965 X UNK . UNX SB 8 . ? -17.498 30.449 -40.399 1.00 53.32 ? 1545 UNX B UNK 1 HETATM 8966 CL CL . CL TB 9 . ? -22.327 18.219 -50.423 1.00 102.89 ? 1546 CL B CL 1 HETATM 8967 CL CL . CL UB 9 . ? -19.615 58.978 -34.873 1.00 96.06 ? 1547 CL B CL 1 HETATM 8968 X UNK . UNX VB 8 . ? 25.563 -13.433 -14.992 1.00 68.73 ? 1548 UNX B UNK 1 HETATM 8969 CL CL . CL WB 9 . ? -38.969 11.349 -52.806 1.00 95.46 ? 1549 CL B CL 1 HETATM 8970 CL CL . CL XB 9 . ? -31.111 -1.626 -47.684 1.00 82.57 ? 1550 CL B CL 1 HETATM 8971 N N . GLY YB 10 . ? -25.189 37.517 -22.150 1.00 57.80 ? 1642 GLY B N 1 HETATM 8972 C CA . GLY YB 10 . ? -26.447 38.084 -22.604 1.00 60.99 ? 1642 GLY B CA 1 HETATM 8973 C C . GLY YB 10 . ? -26.343 38.782 -23.949 1.00 68.15 ? 1642 GLY B C 1 HETATM 8974 O O . GLY YB 10 . ? -25.297 39.343 -24.299 1.00 63.30 ? 1642 GLY B O 1 HETATM 8975 O OXT . GLY YB 10 . ? -27.307 38.808 -24.724 1.00 70.55 ? 1642 GLY B OXT 1 HETATM 8976 O O . HOH ZB 12 . ? -31.972 -3.973 2.987 1.00 64.85 ? 2001 HOH A O 1 HETATM 8977 O O . HOH ZB 12 . ? -26.115 -6.923 -1.797 1.00 44.43 ? 2002 HOH A O 1 HETATM 8978 O O . HOH ZB 12 . ? -14.656 15.148 -2.009 1.00 57.38 ? 2003 HOH A O 1 HETATM 8979 O O . HOH ZB 12 . ? -18.999 11.793 1.289 1.00 50.93 ? 2004 HOH A O 1 HETATM 8980 O O . HOH ZB 12 . ? -9.880 -4.266 1.102 1.00 43.59 ? 2005 HOH A O 1 HETATM 8981 O O . HOH ZB 12 . ? -15.851 -11.982 1.993 1.00 37.90 ? 2006 HOH A O 1 HETATM 8982 O O . HOH ZB 12 . ? -17.946 -18.130 -1.629 1.00 39.49 ? 2007 HOH A O 1 HETATM 8983 O O . HOH ZB 12 . ? -17.447 -19.387 4.368 1.00 51.13 ? 2008 HOH A O 1 HETATM 8984 O O . HOH ZB 12 . ? 1.948 -7.233 5.671 1.00 66.47 ? 2009 HOH A O 1 HETATM 8985 O O . HOH ZB 12 . ? -10.518 -20.234 -1.513 1.00 35.45 ? 2010 HOH A O 1 HETATM 8986 O O . HOH ZB 12 . ? -10.580 -25.844 1.872 1.00 52.66 ? 2011 HOH A O 1 HETATM 8987 O O . HOH ZB 12 . ? -16.793 -19.986 -3.281 1.00 51.26 ? 2012 HOH A O 1 HETATM 8988 O O . HOH ZB 12 . ? -10.939 -20.935 -4.218 1.00 50.15 ? 2013 HOH A O 1 HETATM 8989 O O . HOH ZB 12 . ? -19.107 -23.529 -8.556 1.00 42.84 ? 2014 HOH A O 1 HETATM 8990 O O . HOH ZB 12 . ? -23.268 -16.982 -12.354 1.00 49.12 ? 2015 HOH A O 1 HETATM 8991 O O . HOH ZB 12 . ? -20.859 -16.990 -8.889 1.00 54.62 ? 2016 HOH A O 1 HETATM 8992 O O . HOH ZB 12 . ? -15.914 -5.133 11.392 1.00 43.60 ? 2017 HOH A O 1 HETATM 8993 O O . HOH ZB 12 . ? -5.777 0.463 6.005 1.00 44.21 ? 2018 HOH A O 1 HETATM 8994 O O . HOH ZB 12 . ? -5.478 1.029 -2.795 1.00 34.13 ? 2019 HOH A O 1 HETATM 8995 O O . HOH ZB 12 . ? -6.729 -6.049 0.442 1.00 46.65 ? 2020 HOH A O 1 HETATM 8996 O O . HOH ZB 12 . ? -10.441 -8.879 6.134 1.00 46.28 ? 2021 HOH A O 1 HETATM 8997 O O . HOH ZB 12 . ? -6.060 -10.012 -3.337 1.00 40.18 ? 2022 HOH A O 1 HETATM 8998 O O . HOH ZB 12 . ? -5.858 -16.658 -4.158 1.00 49.14 ? 2023 HOH A O 1 HETATM 8999 O O . HOH ZB 12 . ? -7.078 -16.803 -1.708 1.00 48.83 ? 2024 HOH A O 1 HETATM 9000 O O . HOH ZB 12 . ? -2.110 -17.633 -5.949 1.00 61.23 ? 2025 HOH A O 1 HETATM 9001 O O . HOH ZB 12 . ? -1.998 -18.424 3.287 1.00 60.90 ? 2026 HOH A O 1 HETATM 9002 O O . HOH ZB 12 . ? 2.249 -11.222 -4.708 1.00 43.42 ? 2027 HOH A O 1 HETATM 9003 O O . HOH ZB 12 . ? -30.162 1.150 -7.368 1.00 51.50 ? 2028 HOH A O 1 HETATM 9004 O O . HOH ZB 12 . ? 0.864 -16.990 -6.736 1.00 34.57 ? 2029 HOH A O 1 HETATM 9005 O O . HOH ZB 12 . ? 3.383 -17.859 -8.616 1.00 71.25 ? 2030 HOH A O 1 HETATM 9006 O O . HOH ZB 12 . ? 5.121 -21.753 -7.002 1.00 48.02 ? 2031 HOH A O 1 HETATM 9007 O O . HOH ZB 12 . ? 10.485 -14.746 -4.966 1.00 51.45 ? 2032 HOH A O 1 HETATM 9008 O O . HOH ZB 12 . ? 4.499 -9.577 -5.706 1.00 44.67 ? 2033 HOH A O 1 HETATM 9009 O O . HOH ZB 12 . ? 11.718 -8.412 -4.542 1.00 42.25 ? 2034 HOH A O 1 HETATM 9010 O O . HOH ZB 12 . ? 11.310 -8.419 -1.556 1.00 49.27 ? 2035 HOH A O 1 HETATM 9011 O O . HOH ZB 12 . ? 6.849 -7.494 -7.809 1.00 44.64 ? 2036 HOH A O 1 HETATM 9012 O O . HOH ZB 12 . ? 3.240 -3.035 -1.093 1.00 53.85 ? 2037 HOH A O 1 HETATM 9013 O O . HOH ZB 12 . ? 1.915 0.492 -4.429 1.00 46.34 ? 2038 HOH A O 1 HETATM 9014 O O . HOH ZB 12 . ? 0.724 -6.367 -7.577 1.00 35.87 ? 2039 HOH A O 1 HETATM 9015 O O . HOH ZB 12 . ? 7.519 -7.378 0.171 1.00 52.17 ? 2040 HOH A O 1 HETATM 9016 O O . HOH ZB 12 . ? 1.460 -9.980 3.555 1.00 55.35 ? 2041 HOH A O 1 HETATM 9017 O O . HOH ZB 12 . ? -4.831 -7.267 6.977 1.00 53.75 ? 2042 HOH A O 1 HETATM 9018 O O . HOH ZB 12 . ? 0.213 -12.646 5.367 1.00 60.37 ? 2043 HOH A O 1 HETATM 9019 O O . HOH ZB 12 . ? -9.523 -17.545 -1.380 1.00 47.91 ? 2044 HOH A O 1 HETATM 9020 O O . HOH ZB 12 . ? -13.867 -13.678 1.793 1.00 53.93 ? 2045 HOH A O 1 HETATM 9021 O O . HOH ZB 12 . ? -9.011 -4.437 -8.257 1.00 33.55 ? 2046 HOH A O 1 HETATM 9022 O O . HOH ZB 12 . ? -2.539 -3.559 -12.178 1.00 38.08 ? 2047 HOH A O 1 HETATM 9023 O O . HOH ZB 12 . ? -3.729 -10.793 -11.398 1.00 28.01 ? 2048 HOH A O 1 HETATM 9024 O O . HOH ZB 12 . ? -1.830 -5.624 -8.538 1.00 30.10 ? 2049 HOH A O 1 HETATM 9025 O O . HOH ZB 12 . ? 1.872 -19.404 -9.964 1.00 71.76 ? 2050 HOH A O 1 HETATM 9026 O O . HOH ZB 12 . ? -7.909 0.015 -5.142 1.00 35.09 ? 2051 HOH A O 1 HETATM 9027 O O . HOH ZB 12 . ? 1.726 -0.535 -1.463 1.00 48.08 ? 2052 HOH A O 1 HETATM 9028 O O . HOH ZB 12 . ? -7.348 8.198 -7.098 1.00 42.01 ? 2053 HOH A O 1 HETATM 9029 O O . HOH ZB 12 . ? -14.577 14.540 -15.356 1.00 45.75 ? 2054 HOH A O 1 HETATM 9030 O O . HOH ZB 12 . ? -15.291 17.395 -12.482 1.00 61.61 ? 2055 HOH A O 1 HETATM 9031 O O . HOH ZB 12 . ? -3.660 -20.057 -5.321 1.00 49.78 ? 2056 HOH A O 1 HETATM 9032 O O . HOH ZB 12 . ? -9.648 -21.215 -15.075 1.00 34.91 ? 2057 HOH A O 1 HETATM 9033 O O . HOH ZB 12 . ? -6.686 -25.415 -14.336 1.00 41.32 ? 2058 HOH A O 1 HETATM 9034 O O . HOH ZB 12 . ? -6.335 -22.817 -15.756 1.00 55.66 ? 2059 HOH A O 1 HETATM 9035 O O . HOH ZB 12 . ? -17.021 -25.181 -16.156 1.00 54.30 ? 2060 HOH A O 1 HETATM 9036 O O . HOH ZB 12 . ? -16.634 -21.623 -14.528 1.00 44.92 ? 2061 HOH A O 1 HETATM 9037 O O . HOH ZB 12 . ? 0.387 17.614 -20.255 1.00 49.83 ? 2062 HOH A O 1 HETATM 9038 O O . HOH ZB 12 . ? -22.995 -15.105 -14.533 1.00 55.34 ? 2063 HOH A O 1 HETATM 9039 O O . HOH ZB 12 . ? -21.419 -14.925 -17.164 1.00 55.76 ? 2064 HOH A O 1 HETATM 9040 O O . HOH ZB 12 . ? -21.631 -2.391 -11.606 1.00 39.85 ? 2065 HOH A O 1 HETATM 9041 O O . HOH ZB 12 . ? -23.767 -11.980 -10.623 1.00 57.06 ? 2066 HOH A O 1 HETATM 9042 O O . HOH ZB 12 . ? -27.536 0.746 -6.642 1.00 45.16 ? 2067 HOH A O 1 HETATM 9043 O O . HOH ZB 12 . ? -29.630 -0.895 -10.018 1.00 59.35 ? 2068 HOH A O 1 HETATM 9044 O O . HOH ZB 12 . ? -28.881 1.173 -3.838 1.00 52.02 ? 2069 HOH A O 1 HETATM 9045 O O . HOH ZB 12 . ? -29.605 5.093 -12.119 1.00 59.08 ? 2070 HOH A O 1 HETATM 9046 O O . HOH ZB 12 . ? -24.772 -0.164 -16.309 1.00 50.07 ? 2071 HOH A O 1 HETATM 9047 O O . HOH ZB 12 . ? -34.526 3.411 -13.347 1.00 57.67 ? 2072 HOH A O 1 HETATM 9048 O O . HOH ZB 12 . ? -19.382 4.879 -16.936 1.00 36.15 ? 2073 HOH A O 1 HETATM 9049 O O . HOH ZB 12 . ? -22.801 7.476 -18.510 1.00 48.72 ? 2074 HOH A O 1 HETATM 9050 O O . HOH ZB 12 . ? 0.853 -1.014 -17.657 1.00 36.62 ? 2075 HOH A O 1 HETATM 9051 O O . HOH ZB 12 . ? -19.125 -16.210 -23.378 1.00 50.78 ? 2076 HOH A O 1 HETATM 9052 O O . HOH ZB 12 . ? -20.253 -13.192 -26.169 1.00 47.00 ? 2077 HOH A O 1 HETATM 9053 O O . HOH ZB 12 . ? -26.109 -9.418 -17.190 1.00 56.90 ? 2078 HOH A O 1 HETATM 9054 O O . HOH ZB 12 . ? -4.195 -2.506 -23.490 1.00 36.96 ? 2079 HOH A O 1 HETATM 9055 O O . HOH ZB 12 . ? -0.941 1.565 -20.441 1.00 38.39 ? 2080 HOH A O 1 HETATM 9056 O O . HOH ZB 12 . ? -2.741 -6.845 -24.711 1.00 44.42 ? 2081 HOH A O 1 HETATM 9057 O O . HOH ZB 12 . ? -4.700 -15.959 -25.073 1.00 43.64 ? 2082 HOH A O 1 HETATM 9058 O O . HOH ZB 12 . ? -6.364 -15.601 -26.751 1.00 52.06 ? 2083 HOH A O 1 HETATM 9059 O O . HOH ZB 12 . ? -1.360 -13.014 -29.645 1.00 51.86 ? 2084 HOH A O 1 HETATM 9060 O O . HOH ZB 12 . ? -5.156 -18.751 -18.876 1.00 44.66 ? 2085 HOH A O 1 HETATM 9061 O O . HOH ZB 12 . ? -4.767 -21.612 -16.882 1.00 78.09 ? 2086 HOH A O 1 HETATM 9062 O O . HOH ZB 12 . ? -0.786 -22.781 4.543 1.00 55.85 ? 2087 HOH A O 1 HETATM 9063 O O . HOH ZB 12 . ? 12.020 -20.355 -20.350 1.00 51.87 ? 2088 HOH A O 1 HETATM 9064 O O . HOH ZB 12 . ? 2.208 -17.493 -13.532 1.00 65.95 ? 2089 HOH A O 1 HETATM 9065 O O . HOH ZB 12 . ? -23.040 -18.987 -20.373 1.00 51.77 ? 2090 HOH A O 1 HETATM 9066 O O . HOH ZB 12 . ? -19.435 -22.679 -13.710 1.00 56.60 ? 2091 HOH A O 1 HETATM 9067 O O . HOH ZB 12 . ? -20.937 -18.978 -28.072 1.00 50.50 ? 2092 HOH A O 1 HETATM 9068 O O . HOH ZB 12 . ? -24.504 -7.928 -28.926 1.00 63.13 ? 2093 HOH A O 1 HETATM 9069 O O . HOH ZB 12 . ? -24.258 -5.072 -26.787 1.00 44.09 ? 2094 HOH A O 1 HETATM 9070 O O . HOH ZB 12 . ? 8.413 -2.800 -25.037 1.00 51.83 ? 2095 HOH A O 1 HETATM 9071 O O . HOH ZB 12 . ? 7.113 0.584 -27.904 1.00 55.54 ? 2096 HOH A O 1 HETATM 9072 O O . HOH ZB 12 . ? 8.324 -2.963 -18.608 1.00 43.32 ? 2097 HOH A O 1 HETATM 9073 O O . HOH ZB 12 . ? 10.891 -1.273 -25.088 1.00 40.03 ? 2098 HOH A O 1 HETATM 9074 O O . HOH ZB 12 . ? 8.078 -6.351 -11.163 1.00 68.45 ? 2099 HOH A O 1 HETATM 9075 O O . HOH ZB 12 . ? 22.887 -4.568 -26.179 1.00 56.53 ? 2100 HOH A O 1 HETATM 9076 O O . HOH ZB 12 . ? 26.698 -5.426 -28.999 1.00 65.21 ? 2101 HOH A O 1 HETATM 9077 O O . HOH ZB 12 . ? 8.121 -22.691 -33.978 1.00 55.42 ? 2102 HOH A O 1 HETATM 9078 O O . HOH ZB 12 . ? 14.634 -3.780 -37.059 1.00 44.69 ? 2103 HOH A O 1 HETATM 9079 O O . HOH ZB 12 . ? 23.889 -3.831 -29.385 1.00 52.29 ? 2104 HOH A O 1 HETATM 9080 O O . HOH ZB 12 . ? 15.370 -3.030 -23.471 1.00 45.73 ? 2105 HOH A O 1 HETATM 9081 O O . HOH ZB 12 . ? 16.834 -0.799 -22.933 1.00 43.51 ? 2106 HOH A O 1 HETATM 9082 O O . HOH ZB 12 . ? 13.543 -2.285 -24.892 1.00 44.18 ? 2107 HOH A O 1 HETATM 9083 O O . HOH ZB 12 . ? 8.086 -2.149 -27.636 1.00 43.76 ? 2108 HOH A O 1 HETATM 9084 O O . HOH ZB 12 . ? 1.198 -11.166 -30.276 1.00 40.33 ? 2109 HOH A O 1 HETATM 9085 O O . HOH ZB 12 . ? 1.238 -16.964 -29.660 1.00 58.76 ? 2110 HOH A O 1 HETATM 9086 O O . HOH ZB 12 . ? 4.381 -15.143 -23.465 1.00 45.14 ? 2111 HOH A O 1 HETATM 9087 O O . HOH ZB 12 . ? -1.231 -5.772 -34.035 1.00 38.42 ? 2112 HOH A O 1 HETATM 9088 O O . HOH ZB 12 . ? -2.533 -5.557 -36.299 1.00 85.62 ? 2113 HOH A O 1 HETATM 9089 O O . HOH ZB 12 . ? -0.872 -3.432 -36.243 1.00 54.92 ? 2114 HOH A O 1 HETATM 9090 O O . HOH ZB 12 . ? -18.018 -2.216 -31.747 1.00 54.82 ? 2115 HOH A O 1 HETATM 9091 O O . HOH ZB 12 . ? -15.518 2.250 -34.943 1.00 35.60 ? 2116 HOH A O 1 HETATM 9092 O O . HOH ZB 12 . ? -21.570 -1.109 -32.370 1.00 37.17 ? 2117 HOH A O 1 HETATM 9093 O O . HOH ZB 12 . ? -17.665 4.147 -34.116 1.00 45.46 ? 2118 HOH A O 1 HETATM 9094 O O . HOH ZB 12 . ? -13.753 3.890 -32.817 1.00 46.92 ? 2119 HOH A O 1 HETATM 9095 O O . HOH ZB 12 . ? -17.956 8.122 -27.783 1.00 51.59 ? 2120 HOH A O 1 HETATM 9096 O O . HOH ZB 12 . ? -7.456 6.919 -30.929 1.00 27.48 ? 2121 HOH A O 1 HETATM 9097 O O . HOH ZB 12 . ? 6.444 6.016 -16.049 1.00 42.13 ? 2122 HOH A O 1 HETATM 9098 O O . HOH ZB 12 . ? 10.055 10.550 -20.336 1.00 40.76 ? 2123 HOH A O 1 HETATM 9099 O O . HOH ZB 12 . ? 11.902 10.891 -15.980 1.00 55.64 ? 2124 HOH A O 1 HETATM 9100 O O . HOH ZB 12 . ? 20.279 2.672 -17.170 1.00 60.79 ? 2125 HOH A O 1 HETATM 9101 O O . HOH ZB 12 . ? 5.978 -3.854 -13.290 1.00 45.85 ? 2126 HOH A O 1 HETATM 9102 O O . HOH ZB 12 . ? 2.506 3.108 -11.143 1.00 38.13 ? 2127 HOH A O 1 HETATM 9103 O O . HOH ZB 12 . ? 4.073 15.812 -6.670 1.00 57.97 ? 2128 HOH A O 1 HETATM 9104 O O . HOH ZB 12 . ? -2.901 19.436 -7.395 1.00 59.25 ? 2129 HOH A O 1 HETATM 9105 O O . HOH ZB 12 . ? 8.830 15.688 -15.434 1.00 53.81 ? 2130 HOH A O 1 HETATM 9106 O O . HOH ZB 12 . ? 3.028 17.853 -19.023 1.00 42.52 ? 2131 HOH A O 1 HETATM 9107 O O . HOH ZB 12 . ? -3.666 19.293 -16.908 1.00 45.95 ? 2132 HOH A O 1 HETATM 9108 O O . HOH ZB 12 . ? -6.332 18.813 -17.175 1.00 43.98 ? 2133 HOH A O 1 HETATM 9109 O O . HOH ZB 12 . ? -19.432 15.637 -13.120 1.00 48.14 ? 2134 HOH A O 1 HETATM 9110 O O . HOH ZB 12 . ? -20.660 8.342 -26.463 1.00 53.61 ? 2135 HOH A O 1 HETATM 9111 O O . HOH ZB 12 . ? -10.124 17.598 -25.323 1.00 42.71 ? 2136 HOH A O 1 HETATM 9112 O O . HOH ZB 12 . ? -12.862 18.039 -26.704 1.00 56.03 ? 2137 HOH A O 1 HETATM 9113 O O . HOH ZB 12 . ? -20.023 23.219 -25.493 1.00 38.74 ? 2138 HOH A O 1 HETATM 9114 O O . HOH ZB 12 . ? -9.414 22.163 -28.545 1.00 49.67 ? 2139 HOH A O 1 HETATM 9115 O O . HOH ZB 12 . ? -2.977 19.642 -31.568 1.00 68.08 ? 2140 HOH A O 1 HETATM 9116 O O . HOH ZB 12 . ? -0.646 18.241 -30.760 1.00 47.03 ? 2141 HOH A O 1 HETATM 9117 O O . HOH ZB 12 . ? -10.602 9.122 -36.334 1.00 37.03 ? 2142 HOH A O 1 HETATM 9118 O O . HOH ZB 12 . ? -8.373 6.266 -36.632 1.00 29.49 ? 2143 HOH A O 1 HETATM 9119 O O . HOH ZB 12 . ? -16.435 0.850 -38.833 1.00 52.80 ? 2144 HOH A O 1 HETATM 9120 O O . HOH ZB 12 . ? -9.767 7.877 -38.284 1.00 53.63 ? 2145 HOH A O 1 HETATM 9121 O O . HOH ZB 12 . ? -2.065 2.817 -34.307 1.00 32.75 ? 2146 HOH A O 1 HETATM 9122 O O . HOH ZB 12 . ? -2.545 0.263 -35.639 1.00 43.33 ? 2147 HOH A O 1 HETATM 9123 O O . HOH ZB 12 . ? -0.926 -0.720 -38.582 1.00 55.14 ? 2148 HOH A O 1 HETATM 9124 O O . HOH ZB 12 . ? 3.299 6.008 -35.417 1.00 32.84 ? 2149 HOH A O 1 HETATM 9125 O O . HOH ZB 12 . ? 2.211 18.981 -30.107 1.00 66.56 ? 2150 HOH A O 1 HETATM 9126 O O . HOH ZB 12 . ? 1.946 9.125 -37.749 1.00 55.84 ? 2151 HOH A O 1 HETATM 9127 O O . HOH ZB 12 . ? 2.274 6.640 -39.430 1.00 52.96 ? 2152 HOH A O 1 HETATM 9128 O O . HOH ZB 12 . ? -0.046 -1.049 -35.964 1.00 51.56 ? 2153 HOH A O 1 HETATM 9129 O O . HOH ZB 12 . ? 0.325 -3.629 -38.850 1.00 58.19 ? 2154 HOH A O 1 HETATM 9130 O O . HOH ZB 12 . ? -1.057 -6.055 -38.490 1.00 58.20 ? 2155 HOH A O 1 HETATM 9131 O O . HOH ZB 12 . ? 3.161 -13.094 -15.735 1.00 73.63 ? 2156 HOH A O 1 HETATM 9132 O O . HOH ZB 12 . ? -29.984 5.568 -9.415 1.00 51.78 ? 2157 HOH A O 1 HETATM 9133 O O . HOH ZB 12 . ? 26.810 -11.191 -10.406 1.00 65.95 ? 2158 HOH A O 1 HETATM 9134 O O . HOH ZB 12 . ? -28.502 14.964 -18.111 1.00 60.00 ? 2159 HOH A O 1 HETATM 9135 O O . HOH ZB 12 . ? 1.446 18.212 -22.779 1.00 71.45 ? 2160 HOH A O 1 HETATM 9136 O O . HOH AC 12 . ? -33.441 28.309 -21.227 1.00 50.03 ? 2001 HOH B O 1 HETATM 9137 O O . HOH AC 12 . ? -37.317 22.018 -27.079 1.00 52.17 ? 2002 HOH B O 1 HETATM 9138 O O . HOH AC 12 . ? -31.987 14.139 -31.915 1.00 34.14 ? 2003 HOH B O 1 HETATM 9139 O O . HOH AC 12 . ? -31.948 9.879 -28.356 1.00 66.26 ? 2004 HOH B O 1 HETATM 9140 O O . HOH AC 12 . ? -32.760 7.966 -30.528 1.00 44.39 ? 2005 HOH B O 1 HETATM 9141 O O . HOH AC 12 . ? -32.635 14.257 -34.587 1.00 46.82 ? 2006 HOH B O 1 HETATM 9142 O O . HOH AC 12 . ? -46.600 18.282 -34.891 1.00 62.49 ? 2007 HOH B O 1 HETATM 9143 O O . HOH AC 12 . ? -18.665 21.940 -42.420 1.00 55.19 ? 2008 HOH B O 1 HETATM 9144 O O . HOH AC 12 . ? -26.702 32.614 -21.140 1.00 51.64 ? 2009 HOH B O 1 HETATM 9145 O O . HOH AC 12 . ? -26.193 34.947 -29.842 1.00 35.93 ? 2010 HOH B O 1 HETATM 9146 O O . HOH AC 12 . ? -30.635 29.503 -27.064 1.00 51.67 ? 2011 HOH B O 1 HETATM 9147 O O . HOH AC 12 . ? -27.383 24.628 -32.042 1.00 37.94 ? 2012 HOH B O 1 HETATM 9148 O O . HOH AC 12 . ? -28.624 17.279 -31.801 1.00 40.47 ? 2013 HOH B O 1 HETATM 9149 O O . HOH AC 12 . ? -27.391 18.117 -34.451 1.00 28.96 ? 2014 HOH B O 1 HETATM 9150 O O . HOH AC 12 . ? -25.081 15.701 -35.892 1.00 66.64 ? 2015 HOH B O 1 HETATM 9151 O O . HOH AC 12 . ? -22.804 15.984 -28.321 1.00 88.51 ? 2016 HOH B O 1 HETATM 9152 O O . HOH AC 12 . ? -18.651 16.984 -30.131 1.00 39.18 ? 2017 HOH B O 1 HETATM 9153 O O . HOH AC 12 . ? -18.837 23.104 -33.742 1.00 41.44 ? 2018 HOH B O 1 HETATM 9154 O O . HOH AC 12 . ? -21.222 17.566 -36.795 1.00 40.08 ? 2019 HOH B O 1 HETATM 9155 O O . HOH AC 12 . ? -15.259 16.924 -32.351 1.00 51.86 ? 2020 HOH B O 1 HETATM 9156 O O . HOH AC 12 . ? -16.942 12.844 -37.890 1.00 43.17 ? 2021 HOH B O 1 HETATM 9157 O O . HOH AC 12 . ? -18.490 17.746 -39.028 1.00 48.13 ? 2022 HOH B O 1 HETATM 9158 O O . HOH AC 12 . ? -9.451 25.023 -33.280 1.00 33.97 ? 2023 HOH B O 1 HETATM 9159 O O . HOH AC 12 . ? -9.592 24.559 -30.584 1.00 53.22 ? 2024 HOH B O 1 HETATM 9160 O O . HOH AC 12 . ? -14.077 26.881 -36.530 1.00 35.08 ? 2025 HOH B O 1 HETATM 9161 O O . HOH AC 12 . ? -10.850 18.725 -34.832 1.00 52.09 ? 2026 HOH B O 1 HETATM 9162 O O . HOH AC 12 . ? -5.966 18.836 -32.448 1.00 36.69 ? 2027 HOH B O 1 HETATM 9163 O O . HOH AC 12 . ? -6.116 33.299 -30.162 1.00 51.35 ? 2028 HOH B O 1 HETATM 9164 O O . HOH AC 12 . ? -10.142 31.098 -28.042 1.00 57.55 ? 2029 HOH B O 1 HETATM 9165 O O . HOH AC 12 . ? -18.450 34.229 -31.204 1.00 48.28 ? 2030 HOH B O 1 HETATM 9166 O O . HOH AC 12 . ? -20.367 28.112 -35.858 1.00 31.01 ? 2031 HOH B O 1 HETATM 9167 O O . HOH AC 12 . ? -17.941 30.463 -28.906 1.00 36.86 ? 2032 HOH B O 1 HETATM 9168 O O . HOH AC 12 . ? -17.201 24.700 -35.162 1.00 50.50 ? 2033 HOH B O 1 HETATM 9169 O O . HOH AC 12 . ? -19.096 25.219 -24.011 1.00 67.31 ? 2034 HOH B O 1 HETATM 9170 O O . HOH AC 12 . ? -28.272 14.537 -25.902 1.00 54.60 ? 2035 HOH B O 1 HETATM 9171 O O . HOH AC 12 . ? -31.137 16.815 -31.627 1.00 38.55 ? 2036 HOH B O 1 HETATM 9172 O O . HOH AC 12 . ? -28.687 11.648 -26.159 1.00 44.57 ? 2037 HOH B O 1 HETATM 9173 O O . HOH AC 12 . ? -35.538 20.350 -27.416 1.00 50.09 ? 2038 HOH B O 1 HETATM 9174 O O . HOH AC 12 . ? -36.360 19.685 -21.473 1.00 57.38 ? 2039 HOH B O 1 HETATM 9175 O O . HOH AC 12 . ? -49.919 42.282 -34.229 1.00 60.51 ? 2040 HOH B O 1 HETATM 9176 O O . HOH AC 12 . ? -30.032 30.560 -36.019 1.00 34.80 ? 2041 HOH B O 1 HETATM 9177 O O . HOH AC 12 . ? -23.415 31.951 -39.718 1.00 33.53 ? 2042 HOH B O 1 HETATM 9178 O O . HOH AC 12 . ? -25.060 25.064 -40.365 1.00 28.62 ? 2043 HOH B O 1 HETATM 9179 O O . HOH AC 12 . ? -22.766 29.227 -36.622 1.00 22.36 ? 2044 HOH B O 1 HETATM 9180 O O . HOH AC 12 . ? -20.444 16.299 -40.309 1.00 46.73 ? 2045 HOH B O 1 HETATM 9181 O O . HOH AC 12 . ? -19.005 26.184 -37.300 1.00 46.84 ? 2046 HOH B O 1 HETATM 9182 O O . HOH AC 12 . ? -17.785 23.730 -40.236 1.00 61.26 ? 2047 HOH B O 1 HETATM 9183 O O . HOH AC 12 . ? -28.526 34.588 -32.212 1.00 29.90 ? 2048 HOH B O 1 HETATM 9184 O O . HOH AC 12 . ? -19.232 32.889 -28.650 1.00 40.84 ? 2049 HOH B O 1 HETATM 9185 O O . HOH AC 12 . ? -27.349 42.732 -32.552 1.00 33.85 ? 2050 HOH B O 1 HETATM 9186 O O . HOH AC 12 . ? -21.445 41.491 -24.489 1.00 55.37 ? 2051 HOH B O 1 HETATM 9187 O O . HOH AC 12 . ? -27.265 52.864 -36.913 1.00 67.26 ? 2052 HOH B O 1 HETATM 9188 O O . HOH AC 12 . ? -31.645 15.671 -45.739 1.00 33.19 ? 2053 HOH B O 1 HETATM 9189 O O . HOH AC 12 . ? -28.481 11.118 -45.596 1.00 47.41 ? 2054 HOH B O 1 HETATM 9190 O O . HOH AC 12 . ? -28.142 14.144 -46.596 1.00 53.61 ? 2055 HOH B O 1 HETATM 9191 O O . HOH AC 12 . ? -38.346 11.736 -47.518 1.00 42.36 ? 2056 HOH B O 1 HETATM 9192 O O . HOH AC 12 . ? -38.528 15.416 -45.060 1.00 43.80 ? 2057 HOH B O 1 HETATM 9193 O O . HOH AC 12 . ? -42.433 34.262 -38.735 1.00 57.06 ? 2058 HOH B O 1 HETATM 9194 O O . HOH AC 12 . ? -52.384 32.785 -33.210 1.00 65.06 ? 2059 HOH B O 1 HETATM 9195 O O . HOH AC 12 . ? -39.937 42.421 -42.586 1.00 56.63 ? 2060 HOH B O 1 HETATM 9196 O O . HOH AC 12 . ? -19.750 35.470 -44.860 1.00 39.20 ? 2061 HOH B O 1 HETATM 9197 O O . HOH AC 12 . ? -47.150 27.379 -44.019 1.00 66.34 ? 2062 HOH B O 1 HETATM 9198 O O . HOH AC 12 . ? -25.131 35.120 -50.813 1.00 45.11 ? 2063 HOH B O 1 HETATM 9199 O O . HOH AC 12 . ? -21.630 38.267 -46.913 1.00 33.44 ? 2064 HOH B O 1 HETATM 9200 O O . HOH AC 12 . ? -23.505 31.026 -52.762 1.00 42.71 ? 2065 HOH B O 1 HETATM 9201 O O . HOH AC 12 . ? -31.768 16.053 -53.079 1.00 53.50 ? 2066 HOH B O 1 HETATM 9202 O O . HOH AC 12 . ? -25.794 15.566 -47.422 1.00 61.54 ? 2067 HOH B O 1 HETATM 9203 O O . HOH AC 12 . ? -31.495 14.456 -56.754 1.00 68.63 ? 2068 HOH B O 1 HETATM 9204 O O . HOH AC 12 . ? -25.315 -0.053 -44.924 1.00 49.16 ? 2069 HOH B O 1 HETATM 9205 O O . HOH AC 12 . ? -17.959 22.338 -45.078 1.00 65.65 ? 2070 HOH B O 1 HETATM 9206 O O . HOH AC 12 . ? -19.227 18.314 -43.846 1.00 61.28 ? 2071 HOH B O 1 HETATM 9207 O O . HOH AC 12 . ? -41.077 14.364 -44.669 1.00 55.64 ? 2072 HOH B O 1 HETATM 9208 O O . HOH AC 12 . ? -40.935 41.454 -55.503 1.00 62.58 ? 2073 HOH B O 1 HETATM 9209 O O . HOH AC 12 . ? -13.555 37.879 -54.721 1.00 44.12 ? 2074 HOH B O 1 HETATM 9210 O O . HOH AC 12 . ? -12.549 32.665 -46.420 1.00 37.49 ? 2075 HOH B O 1 HETATM 9211 O O . HOH AC 12 . ? -9.645 35.449 -52.316 1.00 45.79 ? 2076 HOH B O 1 HETATM 9212 O O . HOH AC 12 . ? -12.340 34.029 -52.429 1.00 66.74 ? 2077 HOH B O 1 HETATM 9213 O O . HOH AC 12 . ? -5.152 21.547 -40.176 1.00 62.54 ? 2078 HOH B O 1 HETATM 9214 O O . HOH AC 12 . ? -2.265 24.020 -52.167 1.00 40.79 ? 2079 HOH B O 1 HETATM 9215 O O . HOH AC 12 . ? 3.931 27.231 -49.109 1.00 66.81 ? 2080 HOH B O 1 HETATM 9216 O O . HOH AC 12 . ? -13.384 15.525 -69.629 1.00 68.87 ? 2081 HOH B O 1 HETATM 9217 O O . HOH AC 12 . ? -8.800 14.218 -68.591 1.00 52.57 ? 2082 HOH B O 1 HETATM 9218 O O . HOH AC 12 . ? -4.518 21.314 -63.064 1.00 56.43 ? 2083 HOH B O 1 HETATM 9219 O O . HOH AC 12 . ? 2.946 32.679 -57.150 1.00 53.15 ? 2084 HOH B O 1 HETATM 9220 O O . HOH AC 12 . ? -5.446 33.235 -51.182 1.00 48.92 ? 2085 HOH B O 1 HETATM 9221 O O . HOH AC 12 . ? -3.938 35.424 -50.337 1.00 41.32 ? 2086 HOH B O 1 HETATM 9222 O O . HOH AC 12 . ? -7.382 34.557 -52.559 1.00 47.88 ? 2087 HOH B O 1 HETATM 9223 O O . HOH AC 12 . ? -13.059 35.120 -55.127 1.00 38.74 ? 2088 HOH B O 1 HETATM 9224 O O . HOH AC 12 . ? -20.310 27.966 -59.193 1.00 61.88 ? 2089 HOH B O 1 HETATM 9225 O O . HOH AC 12 . ? -26.614 28.263 -66.531 1.00 56.66 ? 2090 HOH B O 1 HETATM 9226 O O . HOH AC 12 . ? -33.906 43.348 -59.019 1.00 60.09 ? 2091 HOH B O 1 HETATM 9227 O O . HOH AC 12 . ? -27.793 45.710 -56.086 1.00 51.84 ? 2092 HOH B O 1 HETATM 9228 O O . HOH AC 12 . ? -13.953 46.566 -55.966 1.00 55.16 ? 2093 HOH B O 1 HETATM 9229 O O . HOH AC 12 . ? -12.285 49.103 -45.878 1.00 45.38 ? 2094 HOH B O 1 HETATM 9230 O O . HOH AC 12 . ? -5.505 39.356 -49.656 1.00 59.29 ? 2095 HOH B O 1 HETATM 9231 O O . HOH AC 12 . ? -14.727 30.992 -41.094 1.00 49.29 ? 2096 HOH B O 1 HETATM 9232 O O . HOH AC 12 . ? -17.954 38.214 -37.934 1.00 29.99 ? 2097 HOH B O 1 HETATM 9233 O O . HOH AC 12 . ? -20.602 52.051 -26.856 1.00 46.34 ? 2098 HOH B O 1 HETATM 9234 O O . HOH AC 12 . ? -19.692 60.183 -30.845 1.00 62.99 ? 2099 HOH B O 1 HETATM 9235 O O . HOH AC 12 . ? -15.892 53.528 -21.640 1.00 46.41 ? 2100 HOH B O 1 HETATM 9236 O O . HOH AC 12 . ? -9.729 47.250 -32.151 1.00 59.77 ? 2101 HOH B O 1 HETATM 9237 O O . HOH AC 12 . ? -16.564 54.027 -42.546 1.00 53.25 ? 2102 HOH B O 1 HETATM 9238 O O . HOH AC 12 . ? -27.626 54.115 -31.026 1.00 46.04 ? 2103 HOH B O 1 HETATM 9239 O O . HOH AC 12 . ? -30.977 60.109 -46.808 1.00 55.47 ? 2104 HOH B O 1 HETATM 9240 O O . HOH AC 12 . ? -27.847 52.574 -68.038 1.00 72.90 ? 2105 HOH B O 1 HETATM 9241 O O . HOH AC 12 . ? -21.211 38.608 -62.555 1.00 49.64 ? 2106 HOH B O 1 HETATM 9242 O O . HOH AC 12 . ? -17.438 44.959 -61.101 1.00 58.01 ? 2107 HOH B O 1 HETATM 9243 O O . HOH AC 12 . ? -15.406 44.858 -57.329 1.00 48.12 ? 2108 HOH B O 1 HETATM 9244 O O . HOH AC 12 . ? -18.604 48.395 -62.668 1.00 49.77 ? 2109 HOH B O 1 HETATM 9245 O O . HOH AC 12 . ? -23.448 45.117 -70.163 1.00 61.13 ? 2110 HOH B O 1 HETATM 9246 O O . HOH AC 12 . ? -10.105 35.777 -59.929 1.00 46.82 ? 2111 HOH B O 1 HETATM 9247 O O . HOH AC 12 . ? -20.952 32.305 -73.363 1.00 62.84 ? 2112 HOH B O 1 HETATM 9248 O O . HOH AC 12 . ? -31.300 36.027 -13.085 1.00 63.68 ? 2113 HOH B O 1 HETATM 9249 O O . HOH AC 12 . ? -16.431 36.036 -30.490 1.00 41.73 ? 2114 HOH B O 1 HETATM 9250 O O . HOH AC 12 . ? -41.770 12.591 -42.702 1.00 64.21 ? 2115 HOH B O 1 HETATM 9251 O O . HOH AC 12 . ? -18.793 19.593 -51.889 1.00 66.98 ? 2116 HOH B O 1 HETATM 9252 O O . HOH AC 12 . ? -17.521 19.924 -39.977 1.00 57.88 ? 2117 HOH B O 1 HETATM 9253 O O . HOH AC 12 . ? -19.281 -11.921 6.957 1.00 47.29 ? 2118 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ASP A 5 ? 1.2324 1.2445 0.8718 -0.0202 0.1949 -0.1546 3 ASP A N 2 C CA . ASP A 5 ? 1.2979 1.3224 0.9423 -0.0243 0.1872 -0.1335 3 ASP A CA 3 C C . ASP A 5 ? 1.2523 1.2778 0.9351 -0.0266 0.1856 -0.1277 3 ASP A C 4 O O . ASP A 5 ? 1.2757 1.2969 0.9854 -0.0221 0.1970 -0.1350 3 ASP A O 5 C CB . ASP A 5 ? 1.3349 1.3725 0.9723 -0.0200 0.2015 -0.1183 3 ASP A CB 6 C CG . ASP A 5 ? 1.3722 1.4169 0.9892 -0.0235 0.1898 -0.1001 3 ASP A CG 7 O OD1 . ASP A 5 ? 1.3366 1.3791 0.9537 -0.0290 0.1712 -0.0968 3 ASP A OD1 8 O OD2 . ASP A 5 ? 1.4002 1.4525 1.0019 -0.0200 0.1997 -0.0887 3 ASP A OD2 9 N N . ILE A 6 ? 1.1409 1.1718 0.8260 -0.0327 0.1713 -0.1144 4 ILE A N 10 C CA . ILE A 6 ? 1.0142 1.0466 0.7319 -0.0354 0.1683 -0.1079 4 ILE A CA 11 C C . ILE A 6 ? 0.9030 0.9487 0.6324 -0.0362 0.1723 -0.0865 4 ILE A C 12 O O . ILE A 6 ? 0.9688 1.0189 0.6846 -0.0402 0.1602 -0.0736 4 ILE A O 13 C CB . ILE A 6 ? 0.9185 0.9458 0.6330 -0.0425 0.1475 -0.1102 4 ILE A CB 14 C CG1 . ILE A 6 ? 0.7965 0.8095 0.5023 -0.0437 0.1421 -0.1310 4 ILE A CG1 15 C CG2 . ILE A 6 ? 0.8808 0.9087 0.6343 -0.0415 0.1400 -0.0986 4 ILE A CG2 16 C CD1 . ILE A 6 ? 0.8760 0.8896 0.5484 -0.0465 0.1300 -0.1354 4 ILE A CD1 17 N N . ILE A 7 ? 0.7556 0.8077 0.5126 -0.0321 0.1885 -0.0825 5 ILE A N 18 C CA . ILE A 7 ? 0.7481 0.8128 0.5164 -0.0335 0.1944 -0.0629 5 ILE A CA 19 C C . ILE A 7 ? 0.8058 0.8771 0.6224 -0.0307 0.1962 -0.0553 5 ILE A C 20 O O . ILE A 7 ? 0.9312 1.0041 0.7714 -0.0245 0.2076 -0.0640 5 ILE A O 21 C CB . ILE A 7 ? 0.6870 0.7586 0.4402 -0.0292 0.2094 -0.0590 5 ILE A CB 22 C CG1 . ILE A 7 ? 0.7459 0.8126 0.4549 -0.0297 0.2003 -0.0592 5 ILE A CG1 23 C CG2 . ILE A 7 ? 0.6462 0.7304 0.4182 -0.0312 0.2175 -0.0393 5 ILE A CG2 24 C CD1 . ILE A 7 ? 0.8515 0.9227 0.5399 -0.0244 0.2153 -0.0595 5 ILE A CD1 25 N N . ILE A 8 ? 0.6873 0.7624 0.5185 -0.0347 0.1844 -0.0391 6 ILE A N 26 C CA . ILE A 8 ? 0.5498 0.6318 0.4249 -0.0331 0.1827 -0.0313 6 ILE A CA 27 C C . ILE A 8 ? 0.6294 0.7227 0.5138 -0.0377 0.1900 -0.0145 6 ILE A C 28 O O . ILE A 8 ? 0.7755 0.8659 0.6398 -0.0430 0.1833 -0.0033 6 ILE A O 29 C CB . ILE A 8 ? 0.5506 0.6247 0.4384 -0.0343 0.1609 -0.0287 6 ILE A CB 30 C CG1 . ILE A 8 ? 0.5232 0.5849 0.4061 -0.0306 0.1551 -0.0449 6 ILE A CG1 31 C CG2 . ILE A 8 ? 0.5127 0.5944 0.4414 -0.0336 0.1572 -0.0195 6 ILE A CG2 32 C CD1 . ILE A 8 ? 0.5371 0.5994 0.4466 -0.0228 0.1659 -0.0542 6 ILE A CD1 33 N N . ALA A 9 ? 0.5977 0.7039 0.5137 -0.0356 0.2042 -0.0129 7 ALA A N 34 C CA . ALA A 9 ? 0.5318 0.6496 0.4647 -0.0413 0.2116 0.0025 7 ALA A CA 35 C C . ALA A 9 ? 0.6578 0.7754 0.6193 -0.0448 0.1939 0.0116 7 ALA A C 36 O O . ALA A 9 ? 0.7238 0.8445 0.7156 -0.0406 0.1865 0.0066 7 ALA A O 37 C CB . ALA A 9 ? 0.4862 0.6209 0.4459 -0.0383 0.2338 -0.0001 7 ALA A CB 38 N N . THR A 10 ? 0.7403 0.8529 0.6900 -0.0518 0.1870 0.0250 8 THR A N 39 C CA . THR A 10 ? 0.6588 0.7698 0.6326 -0.0559 0.1716 0.0333 8 THR A CA 40 C C . THR A 10 ? 0.6559 0.7761 0.6492 -0.0636 0.1818 0.0461 8 THR A C 41 O O . THR A 10 ? 0.6083 0.7350 0.5929 -0.0660 0.2007 0.0502 8 THR A O 42 C CB . THR A 10 ? 0.5630 0.6583 0.5110 -0.0577 0.1538 0.0381 8 THR A CB 43 O OG1 . THR A 10 ? 0.6178 0.7088 0.5414 -0.0627 0.1595 0.0504 8 THR A OG1 44 C CG2 . THR A 10 ? 0.4872 0.5742 0.4104 -0.0523 0.1463 0.0260 8 THR A CG2 45 N N . LYS A 11 ? 0.6057 0.7257 0.6244 -0.0681 0.1696 0.0520 9 LYS A N 46 C CA . LYS A 11 ? 0.6041 0.7306 0.6438 -0.0773 0.1768 0.0636 9 LYS A CA 47 C C . LYS A 11 ? 0.5990 0.7143 0.6065 -0.0829 0.1848 0.0762 9 LYS A C 48 O O . LYS A 11 ? 0.6246 0.7461 0.6408 -0.0899 0.2004 0.0854 9 LYS A O 49 C CB . LYS A 11 ? 0.5841 0.7079 0.6498 -0.0814 0.1590 0.0660 9 LYS A CB 50 C CG . LYS A 11 ? 0.6314 0.7683 0.7316 -0.0764 0.1513 0.0563 9 LYS A CG 51 C CD . LYS A 11 ? 0.7797 0.9401 0.9130 -0.0769 0.1683 0.0546 9 LYS A CD 52 C CE . LYS A 11 ? 0.8805 1.0533 1.0404 -0.0672 0.1628 0.0437 9 LYS A CE 53 N NZ . LYS A 11 ? 0.8724 1.0439 1.0525 -0.0676 0.1411 0.0430 9 LYS A NZ 54 N N . ASN A 12 ? 0.5907 0.6903 0.5616 -0.0794 0.1745 0.0770 10 ASN A N 55 C CA . ASN A 12 ? 0.6154 0.7029 0.5528 -0.0826 0.1786 0.0901 10 ASN A CA 56 C C . ASN A 12 ? 0.6565 0.7467 0.5599 -0.0785 0.1919 0.0894 10 ASN A C 57 O O . ASN A 12 ? 0.5732 0.6581 0.4533 -0.0790 0.1927 0.1012 10 ASN A O 58 C CB . ASN A 12 ? 0.5839 0.6552 0.5026 -0.0801 0.1583 0.0927 10 ASN A CB 59 C CG . ASN A 12 ? 0.6194 0.6867 0.5678 -0.0830 0.1440 0.0928 10 ASN A CG 60 O OD1 . ASN A 12 ? 0.7011 0.7660 0.6537 -0.0784 0.1288 0.0841 10 ASN A OD1 61 N ND2 . ASN A 12 ? 0.5848 0.6510 0.5539 -0.0913 0.1494 0.1023 10 ASN A ND2 62 N N . GLY A 13 ? 0.6551 0.7544 0.5577 -0.0731 0.1989 0.0750 11 GLY A N 63 C CA . GLY A 13 ? 0.5198 0.6220 0.3914 -0.0671 0.2075 0.0706 11 GLY A CA 64 C C . GLY A 13 ? 0.6587 0.7590 0.5170 -0.0610 0.2041 0.0523 11 GLY A C 65 O O . GLY A 13 ? 0.6116 0.7091 0.4864 -0.0597 0.1906 0.0446 11 GLY A O 66 N N . LYS A 14 ? 0.6293 0.7315 0.4612 -0.0553 0.2118 0.0452 12 LYS A N 67 C CA . LYS A 14 ? 0.6307 0.7288 0.4468 -0.0501 0.2083 0.0268 12 LYS A CA 68 C C . LYS A 14 ? 0.6837 0.7696 0.4687 -0.0504 0.1891 0.0261 12 LYS A C 69 O O . LYS A 14 ? 0.6835 0.7643 0.4460 -0.0504 0.1828 0.0388 12 LYS A O 70 C CB . LYS A 14 ? 0.6374 0.7406 0.4355 -0.0440 0.2226 0.0184 12 LYS A CB 71 C CG . LYS A 14 ? 0.6277 0.7453 0.4597 -0.0419 0.2407 0.0143 12 LYS A CG 72 C CD . LYS A 14 ? 0.6636 0.7872 0.4745 -0.0367 0.2556 0.0094 12 LYS A CD 73 C CE . LYS A 14 ? 0.7930 0.9332 0.6400 -0.0343 0.2734 0.0061 12 LYS A CE 74 N NZ . LYS A 14 ? 0.9032 1.0526 0.7317 -0.0318 0.2897 0.0074 12 LYS A NZ 75 N N . VAL A 15 ? 0.6263 0.7082 0.4130 -0.0495 0.1791 0.0116 13 VAL A N 76 C CA . VAL A 15 ? 0.6989 0.7727 0.4619 -0.0497 0.1596 0.0093 13 VAL A CA 77 C C . VAL A 15 ? 0.7387 0.8089 0.4843 -0.0471 0.1576 -0.0110 13 VAL A C 78 O O . VAL A 15 ? 0.6744 0.7438 0.4407 -0.0440 0.1628 -0.0239 13 VAL A O 79 C CB . VAL A 15 ? 0.6571 0.7271 0.4467 -0.0508 0.1410 0.0154 13 VAL A CB 80 C CG1 . VAL A 15 ? 0.6103 0.6806 0.4344 -0.0482 0.1393 0.0048 13 VAL A CG1 81 C CG2 . VAL A 15 ? 0.6892 0.7538 0.4563 -0.0510 0.1223 0.0147 13 VAL A CG2 82 N N . ARG A 16 ? 0.7222 0.7885 0.4346 -0.0460 0.1472 -0.0129 14 ARG A N 83 C CA . ARG A 16 ? 0.7002 0.7617 0.3951 -0.0444 0.1427 -0.0321 14 ARG A CA 84 C C . ARG A 16 ? 0.6625 0.7211 0.3589 -0.0483 0.1226 -0.0370 14 ARG A C 85 O O . ARG A 16 ? 0.6596 0.7202 0.3532 -0.0498 0.1092 -0.0243 14 ARG A O 86 C CB . ARG A 16 ? 0.6404 0.7007 0.2989 -0.0401 0.1440 -0.0323 14 ARG A CB 87 C CG . ARG A 16 ? 0.6641 0.7188 0.3009 -0.0397 0.1352 -0.0512 14 ARG A CG 88 C CD . ARG A 16 ? 0.7538 0.8075 0.3538 -0.0348 0.1390 -0.0517 14 ARG A CD 89 N NE . ARG A 16 ? 0.8559 0.9111 0.4560 -0.0304 0.1611 -0.0558 14 ARG A NE 90 C CZ . ARG A 16 ? 0.8837 0.9437 0.4714 -0.0263 0.1739 -0.0429 14 ARG A CZ 91 N NH1 . ARG A 16 ? 0.7957 0.8561 0.3673 -0.0257 0.1670 -0.0247 14 ARG A NH1 92 N NH2 . ARG A 16 ? 0.9772 1.0414 0.5694 -0.0224 0.1940 -0.0480 14 ARG A NH2 93 N N . GLY A 17 ? 0.6334 0.6865 0.3371 -0.0494 0.1210 -0.0550 15 GLY A N 94 C CA . GLY A 17 ? 0.5840 0.6335 0.2946 -0.0523 0.1019 -0.0600 15 GLY A CA 95 C C . GLY A 17 ? 0.6642 0.7094 0.3512 -0.0549 0.0955 -0.0783 15 GLY A C 96 O O . GLY A 17 ? 0.7554 0.7991 0.4205 -0.0518 0.1009 -0.0838 15 GLY A O 97 N N . MET A 18 ? 0.6900 0.7317 0.3869 -0.0592 0.0822 -0.0863 16 MET A N 98 C CA . MET A 18 ? 0.6579 0.6950 0.3398 -0.0625 0.0735 -0.1032 16 MET A CA 99 C C . MET A 18 ? 0.6461 0.6721 0.3486 -0.0668 0.0722 -0.1173 16 MET A C 100 O O . MET A 18 ? 0.5656 0.5896 0.2984 -0.0653 0.0683 -0.1077 16 MET A O 101 C CB . MET A 18 ? 0.6118 0.6587 0.2816 -0.0646 0.0538 -0.0961 16 MET A CB 102 C CG . MET A 18 ? 0.7420 0.7951 0.4326 -0.0676 0.0422 -0.0855 16 MET A CG 103 S SD . MET A 18 ? 1.0941 1.1611 0.7753 -0.0667 0.0214 -0.0732 16 MET A SD 104 C CE . MET A 18 ? 0.9542 1.0204 0.6212 -0.0712 0.0113 -0.0935 16 MET A CE 105 N N . ASN A 19 ? 0.6491 0.6648 0.3432 -0.0687 0.0729 -0.1357 17 ASN A N 106 C CA . ASN A 19 ? 0.6740 0.6759 0.3855 -0.0736 0.0708 -0.1498 17 ASN A CA 107 C C . ASN A 19 ? 0.7781 0.7853 0.4924 -0.0818 0.0511 -0.1512 17 ASN A C 108 O O . ASN A 19 ? 0.8554 0.8727 0.5526 -0.0834 0.0397 -0.1510 17 ASN A O 109 C CB . ASN A 19 ? 0.6600 0.6458 0.3647 -0.0718 0.0809 -0.1686 17 ASN A CB 110 C CG . ASN A 19 ? 0.7454 0.7238 0.4589 -0.0632 0.1018 -0.1695 17 ASN A CG 111 O OD1 . ASN A 19 ? 0.7658 0.7476 0.5018 -0.0588 0.1068 -0.1565 17 ASN A OD1 112 N ND2 . ASN A 19 ? 0.8685 0.8378 0.5698 -0.0589 0.1120 -0.1823 17 ASN A ND2 113 N N . LEU A 20 ? 0.7024 0.7032 0.4419 -0.0854 0.0471 -0.1506 18 LEU A N 114 C CA . LEU A 20 ? 0.6507 0.6553 0.3964 -0.0948 0.0318 -0.1553 18 LEU A CA 115 C C . LEU A 20 ? 0.7350 0.7186 0.4942 -0.1000 0.0356 -0.1716 18 LEU A C 116 O O . LEU A 20 ? 0.7416 0.7083 0.5169 -0.0948 0.0473 -0.1716 18 LEU A O 117 C CB . LEU A 20 ? 0.6292 0.6435 0.3986 -0.0930 0.0231 -0.1360 18 LEU A CB 118 C CG . LEU A 20 ? 0.6237 0.6518 0.3896 -0.0855 0.0223 -0.1161 18 LEU A CG 119 C CD1 . LEU A 20 ? 0.5353 0.5660 0.3277 -0.0832 0.0169 -0.1004 18 LEU A CD1 120 C CD2 . LEU A 20 ? 0.6207 0.6665 0.3600 -0.0875 0.0120 -0.1145 18 LEU A CD2 121 N N . THR A 21 ? 0.7909 0.7753 0.5497 -0.1077 0.0248 -0.1811 19 THR A N 122 C CA . THR A 21 ? 0.7962 0.7598 0.5698 -0.1137 0.0279 -0.1944 19 THR A CA 123 C C . THR A 21 ? 0.8190 0.7837 0.6171 -0.1208 0.0205 -0.1883 19 THR A C 124 O O . THR A 21 ? 0.8881 0.8700 0.6902 -0.1270 0.0068 -0.1852 19 THR A O 125 C CB . THR A 21 ? 0.8118 0.7723 0.5726 -0.1191 0.0224 -0.2100 19 THR A CB 126 O OG1 . THR A 21 ? 0.9499 0.9044 0.6880 -0.1118 0.0322 -0.2169 19 THR A OG1 127 C CG2 . THR A 21 ? 0.7062 0.6443 0.4845 -0.1262 0.0251 -0.2219 19 THR A CG2 128 N N . VAL A 22 ? 0.7594 0.7058 0.5749 -0.1187 0.0301 -0.1855 20 VAL A N 129 C CA . VAL A 22 ? 0.5918 0.5369 0.4328 -0.1221 0.0253 -0.1747 20 VAL A CA 130 C C . VAL A 22 ? 0.6139 0.5297 0.4695 -0.1260 0.0336 -0.1836 20 VAL A C 131 O O . VAL A 22 ? 0.6269 0.5232 0.4868 -0.1170 0.0454 -0.1828 20 VAL A O 132 C CB . VAL A 22 ? 0.6146 0.5666 0.4680 -0.1105 0.0271 -0.1522 20 VAL A CB 133 C CG1 . VAL A 22 ? 0.6115 0.5659 0.4864 -0.1141 0.0212 -0.1408 20 VAL A CG1 134 C CG2 . VAL A 22 ? 0.5724 0.5473 0.4101 -0.1049 0.0225 -0.1432 20 VAL A CG2 135 N N . PHE A 23 ? 0.7444 0.6583 0.6106 -0.1380 0.0272 -0.1895 21 PHE A N 136 C CA . PHE A 23 ? 0.8366 0.7225 0.7192 -0.1415 0.0345 -0.1933 21 PHE A CA 137 C C . PHE A 23 ? 0.8590 0.7196 0.7338 -0.1358 0.0459 -0.2057 21 PHE A C 138 O O . PHE A 23 ? 0.7882 0.6223 0.6742 -0.1311 0.0562 -0.2040 21 PHE A O 139 C CB . PHE A 23 ? 0.8204 0.6961 0.7209 -0.1367 0.0394 -0.1769 21 PHE A CB 140 C CG . PHE A 23 ? 0.7500 0.6499 0.6608 -0.1394 0.0295 -0.1618 21 PHE A CG 141 C CD1 . PHE A 23 ? 0.7914 0.7123 0.7026 -0.1518 0.0185 -0.1682 21 PHE A CD1 142 C CD2 . PHE A 23 ? 0.6490 0.5512 0.5696 -0.1291 0.0311 -0.1420 21 PHE A CD2 143 C CE1 . PHE A 23 ? 0.6834 0.6271 0.6060 -0.1527 0.0105 -0.1545 21 PHE A CE1 144 C CE2 . PHE A 23 ? 0.6469 0.5696 0.5759 -0.1307 0.0233 -0.1294 21 PHE A CE2 145 C CZ . PHE A 23 ? 0.6421 0.5854 0.5728 -0.1420 0.0137 -0.1354 21 PHE A CZ 146 N N . GLY A 24 ? 0.9582 0.8266 0.8135 -0.1351 0.0440 -0.2173 22 GLY A N 147 C CA . GLY A 24 ? 0.8989 0.7450 0.7458 -0.1293 0.0550 -0.2300 22 GLY A CA 148 C C . GLY A 24 ? 0.8516 0.6920 0.6939 -0.1152 0.0676 -0.2257 22 GLY A C 149 O O . GLY A 24 ? 0.9337 0.7550 0.7734 -0.1076 0.0791 -0.2340 22 GLY A O 150 N N . GLY A 25 ? 0.7972 0.6551 0.6395 -0.1113 0.0657 -0.2128 23 GLY A N 151 C CA . GLY A 25 ? 0.7629 0.6215 0.6042 -0.0973 0.0766 -0.2058 23 GLY A CA 152 C C . GLY A 25 ? 0.7631 0.6504 0.5870 -0.0946 0.0720 -0.1991 23 GLY A C 153 O O . GLY A 25 ? 0.7731 0.6764 0.5803 -0.1035 0.0615 -0.2042 23 GLY A O 154 N N . THR A 26 ? 0.7549 0.6492 0.5839 -0.0821 0.0794 -0.1866 24 THR A N 155 C CA . THR A 26 ? 0.7178 0.6362 0.5311 -0.0790 0.0777 -0.1786 24 THR A CA 156 C C . THR A 26 ? 0.7106 0.6422 0.5423 -0.0718 0.0749 -0.1556 24 THR A C 157 O O . THR A 26 ? 0.7464 0.6686 0.5997 -0.0640 0.0806 -0.1480 24 THR A O 158 C CB . THR A 26 ? 0.8091 0.7245 0.6062 -0.0719 0.0925 -0.1888 24 THR A CB 159 O OG1 . THR A 26 ? 0.9836 0.8900 0.7589 -0.0790 0.0924 -0.2095 24 THR A OG1 160 C CG2 . THR A 26 ? 0.7935 0.7321 0.5771 -0.0678 0.0933 -0.1769 24 THR A CG2 161 N N . VAL A 27 ? 0.6512 0.6038 0.4741 -0.0744 0.0654 -0.1449 25 VAL A N 162 C CA . VAL A 27 ? 0.5965 0.5617 0.4322 -0.0679 0.0636 -0.1248 25 VAL A CA 163 C C . VAL A 27 ? 0.6354 0.6168 0.4513 -0.0654 0.0668 -0.1204 25 VAL A C 164 O O . VAL A 27 ? 0.6805 0.6696 0.4718 -0.0707 0.0622 -0.1273 25 VAL A O 165 C CB . VAL A 27 ? 0.5876 0.5609 0.4334 -0.0727 0.0496 -0.1134 25 VAL A CB 166 C CG1 . VAL A 27 ? 0.5454 0.5309 0.4008 -0.0666 0.0476 -0.0942 25 VAL A CG1 167 C CG2 . VAL A 27 ? 0.5573 0.5141 0.4215 -0.0755 0.0482 -0.1161 25 VAL A CG2 168 N N . THR A 28 ? 0.5758 0.5622 0.4021 -0.0576 0.0747 -0.1089 26 THR A N 169 C CA . THR A 28 ? 0.5935 0.5942 0.4035 -0.0557 0.0791 -0.1018 26 THR A CA 170 C C . THR A 28 ? 0.4943 0.5074 0.3097 -0.0563 0.0689 -0.0833 26 THR A C 171 O O . THR A 28 ? 0.4193 0.4320 0.2580 -0.0531 0.0675 -0.0723 26 THR A O 172 C CB . THR A 28 ? 0.6377 0.6381 0.4569 -0.0478 0.0958 -0.1007 26 THR A CB 173 O OG1 . THR A 28 ? 0.6516 0.6377 0.4715 -0.0454 0.1057 -0.1176 26 THR A OG1 174 C CG2 . THR A 28 ? 0.6215 0.6342 0.4181 -0.0475 0.1032 -0.0965 26 THR A CG2 175 N N . ALA A 29 ? 0.5413 0.5646 0.3343 -0.0600 0.0614 -0.0803 27 ALA A N 176 C CA . ALA A 29 ? 0.5548 0.5878 0.3515 -0.0601 0.0512 -0.0638 27 ALA A CA 177 C C . ALA A 29 ? 0.5729 0.6144 0.3553 -0.0572 0.0574 -0.0521 27 ALA A C 178 O O . ALA A 29 ? 0.6128 0.6577 0.3688 -0.0578 0.0624 -0.0570 27 ALA A O 179 C CB . ALA A 29 ? 0.5608 0.5997 0.3471 -0.0656 0.0361 -0.0669 27 ALA A CB 180 N N . PHE A 30 ? 0.5566 0.6004 0.3556 -0.0546 0.0576 -0.0367 28 PHE A N 181 C CA . PHE A 30 ? 0.5496 0.5997 0.3365 -0.0531 0.0624 -0.0233 28 PHE A CA 182 C C . PHE A 30 ? 0.6082 0.6614 0.3980 -0.0533 0.0491 -0.0100 28 PHE A C 183 O O . PHE A 30 ? 0.5632 0.6133 0.3763 -0.0523 0.0459 -0.0028 28 PHE A O 184 C CB . PHE A 30 ? 0.4813 0.5310 0.2874 -0.0505 0.0760 -0.0170 28 PHE A CB 185 C CG . PHE A 30 ? 0.6109 0.6584 0.4200 -0.0485 0.0902 -0.0297 28 PHE A CG 186 C CD1 . PHE A 30 ? 0.6385 0.6789 0.4673 -0.0468 0.0897 -0.0403 28 PHE A CD1 187 C CD2 . PHE A 30 ? 0.6692 0.7210 0.4617 -0.0476 0.1049 -0.0305 28 PHE A CD2 188 C CE1 . PHE A 30 ? 0.6087 0.6458 0.4418 -0.0433 0.1031 -0.0519 28 PHE A CE1 189 C CE2 . PHE A 30 ? 0.6550 0.7050 0.4517 -0.0446 0.1193 -0.0429 28 PHE A CE2 190 C CZ . PHE A 30 ? 0.5968 0.6393 0.4147 -0.0420 0.1181 -0.0537 28 PHE A CZ 191 N N . LEU A 31 ? 0.5476 0.6068 0.3130 -0.0539 0.0411 -0.0075 29 LEU A N 192 C CA . LEU A 31 ? 0.5495 0.6124 0.3165 -0.0526 0.0283 0.0045 29 LEU A CA 193 C C . LEU A 31 ? 0.6465 0.7098 0.4008 -0.0498 0.0324 0.0214 29 LEU A C 194 O O . LEU A 31 ? 0.6161 0.6818 0.3452 -0.0496 0.0393 0.0228 29 LEU A O 195 C CB . LEU A 31 ? 0.5135 0.5849 0.2649 -0.0543 0.0149 -0.0027 29 LEU A CB 196 C CG . LEU A 31 ? 0.6417 0.7115 0.3989 -0.0590 0.0133 -0.0215 29 LEU A CG 197 C CD1 . LEU A 31 ? 0.6688 0.7495 0.4121 -0.0623 -0.0008 -0.0288 29 LEU A CD1 198 C CD2 . LEU A 31 ? 0.5530 0.6153 0.3418 -0.0594 0.0130 -0.0224 29 LEU A CD2 199 N N . GLY A 32 ? 0.5967 0.6561 0.3672 -0.0478 0.0289 0.0342 30 GLY A N 200 C CA . GLY A 32 ? 0.5927 0.6495 0.3520 -0.0453 0.0313 0.0512 30 GLY A CA 201 C C . GLY A 32 ? 0.6219 0.6741 0.3822 -0.0471 0.0477 0.0573 30 GLY A C 202 O O . GLY A 32 ? 0.6831 0.7353 0.4204 -0.0465 0.0544 0.0662 30 GLY A O 203 N N . ILE A 33 ? 0.6951 0.7442 0.4823 -0.0492 0.0542 0.0529 31 ILE A N 204 C CA . ILE A 33 ? 0.5400 0.5870 0.3378 -0.0516 0.0689 0.0592 31 ILE A CA 205 C C . ILE A 33 ? 0.5724 0.6116 0.3822 -0.0522 0.0663 0.0742 31 ILE A C 206 O O . ILE A 33 ? 0.5931 0.6280 0.4202 -0.0514 0.0563 0.0738 31 ILE A O 207 C CB . ILE A 33 ? 0.4952 0.5442 0.3206 -0.0529 0.0743 0.0482 31 ILE A CB 208 C CG1 . ILE A 33 ? 0.5808 0.6334 0.3975 -0.0517 0.0748 0.0317 31 ILE A CG1 209 C CG2 . ILE A 33 ? 0.4002 0.4515 0.2402 -0.0557 0.0899 0.0538 31 ILE A CG2 210 C CD1 . ILE A 33 ? 0.4297 0.4838 0.2690 -0.0513 0.0838 0.0219 31 ILE A CD1 211 N N . PRO A 34 ? 0.6065 0.6421 0.4059 -0.0538 0.0761 0.0874 32 PRO A N 212 C CA . PRO A 34 ? 0.5643 0.5893 0.3765 -0.0555 0.0754 0.1010 32 PRO A CA 213 C C . PRO A 34 ? 0.5963 0.6211 0.4427 -0.0603 0.0797 0.0970 32 PRO A C 214 O O . PRO A 34 ? 0.6151 0.6483 0.4717 -0.0630 0.0907 0.0909 32 PRO A O 215 C CB . PRO A 34 ? 0.5475 0.5683 0.3396 -0.0569 0.0879 0.1150 32 PRO A CB 216 C CG . PRO A 34 ? 0.6807 0.7118 0.4612 -0.0574 0.0997 0.1059 32 PRO A CG 217 C CD . PRO A 34 ? 0.6561 0.6957 0.4310 -0.0546 0.0896 0.0900 32 PRO A CD 218 N N . TYR A 35 ? 0.5685 0.5847 0.4323 -0.0609 0.0710 0.1000 33 TYR A N 219 C CA . TYR A 35 ? 0.5340 0.5508 0.4291 -0.0658 0.0729 0.0961 33 TYR A CA 220 C C . TYR A 35 ? 0.5071 0.5116 0.4127 -0.0709 0.0751 0.1078 33 TYR A C 221 O O . TYR A 35 ? 0.6383 0.6431 0.5698 -0.0764 0.0759 0.1054 33 TYR A O 222 C CB . TYR A 35 ? 0.4786 0.4968 0.3875 -0.0630 0.0604 0.0846 33 TYR A CB 223 C CG . TYR A 35 ? 0.3953 0.4027 0.3000 -0.0596 0.0478 0.0875 33 TYR A CG 224 C CD1 . TYR A 35 ? 0.4553 0.4520 0.3749 -0.0624 0.0442 0.0916 33 TYR A CD1 225 C CD2 . TYR A 35 ? 0.3921 0.4009 0.2793 -0.0539 0.0397 0.0853 33 TYR A CD2 226 C CE1 . TYR A 35 ? 0.4576 0.4438 0.3735 -0.0584 0.0342 0.0933 33 TYR A CE1 227 C CE2 . TYR A 35 ? 0.3788 0.3799 0.2652 -0.0500 0.0293 0.0879 33 TYR A CE2 228 C CZ . TYR A 35 ? 0.4032 0.3923 0.3033 -0.0517 0.0273 0.0919 33 TYR A CZ 229 O OH . TYR A 35 ? 0.4315 0.4121 0.3307 -0.0470 0.0187 0.0936 33 TYR A OH 230 N N . ALA A 36 ? 0.5481 0.5414 0.4334 -0.0691 0.0757 0.1204 34 ALA A N 231 C CA . ALA A 36 ? 0.5806 0.5579 0.4727 -0.0738 0.0788 0.1326 34 ALA A CA 232 C C . ALA A 36 ? 0.6166 0.5850 0.4820 -0.0718 0.0863 0.1479 34 ALA A C 233 O O . ALA A 36 ? 0.5188 0.4923 0.3590 -0.0646 0.0844 0.1471 34 ALA A O 234 C CB . ALA A 36 ? 0.4870 0.4512 0.3860 -0.0706 0.0653 0.1313 34 ALA A CB 235 N N . GLN A 37 ? 0.6558 0.6071 0.5269 -0.0763 0.0929 0.1566 35 GLN A N 236 C CA . GLN A 37 ? 0.6513 0.5867 0.4963 -0.0731 0.0966 0.1672 35 GLN A CA 237 C C . GLN A 37 ? 0.6477 0.5726 0.4780 -0.0623 0.0824 0.1708 35 GLN A C 238 O O . GLN A 37 ? 0.6054 0.5250 0.4509 -0.0608 0.0733 0.1684 35 GLN A O 239 C CB . GLN A 37 ? 0.6303 0.5503 0.4861 -0.0836 0.1053 0.1750 35 GLN A CB 240 C CG . GLN A 37 ? 0.7265 0.6603 0.5972 -0.0947 0.1196 0.1726 35 GLN A CG 241 C CD . GLN A 37 ? 0.8414 0.7640 0.7297 -0.1065 0.1256 0.1794 35 GLN A CD 242 O OE1 . GLN A 37 ? 0.8075 0.7134 0.6807 -0.1072 0.1265 0.1909 35 GLN A OE1 243 N NE2 . GLN A 37 ? 0.9700 0.9026 0.8919 -0.1158 0.1291 0.1722 35 GLN A NE2 244 N N . PRO A 38 ? 0.6680 0.5908 0.4689 -0.0551 0.0799 0.1760 36 PRO A N 245 C CA . PRO A 38 ? 0.7068 0.6227 0.4945 -0.0441 0.0661 0.1799 36 PRO A CA 246 C C . PRO A 38 ? 0.7338 0.6265 0.5314 -0.0446 0.0638 0.1883 36 PRO A C 247 O O . PRO A 38 ? 0.7705 0.6483 0.5653 -0.0510 0.0716 0.1976 36 PRO A O 248 C CB . PRO A 38 ? 0.7069 0.6225 0.4624 -0.0399 0.0667 0.1862 36 PRO A CB 249 C CG . PRO A 38 ? 0.6061 0.5340 0.3561 -0.0466 0.0794 0.1808 36 PRO A CG 250 C CD . PRO A 38 ? 0.6510 0.5783 0.4299 -0.0574 0.0901 0.1786 36 PRO A CD 251 N N . PRO A 39 ? 0.6883 0.5782 0.4979 -0.0385 0.0533 0.1850 37 PRO A N 252 C CA . PRO A 39 ? 0.7331 0.5999 0.5542 -0.0387 0.0515 0.1904 37 PRO A CA 253 C C . PRO A 39 ? 0.7809 0.6330 0.5844 -0.0298 0.0460 0.2024 37 PRO A C 254 O O . PRO A 39 ? 0.7998 0.6472 0.6058 -0.0199 0.0362 0.2029 37 PRO A O 255 C CB . PRO A 39 ? 0.6767 0.5495 0.5147 -0.0347 0.0425 0.1812 37 PRO A CB 256 C CG . PRO A 39 ? 0.6751 0.5716 0.5024 -0.0274 0.0348 0.1757 37 PRO A CG 257 C CD . PRO A 39 ? 0.6336 0.5426 0.4473 -0.0323 0.0429 0.1751 37 PRO A CD 258 N N . LEU A 40 ? 0.7912 0.6372 0.5783 -0.0335 0.0526 0.2122 38 LEU A N 259 C CA . LEU A 40 ? 0.8554 0.6896 0.6233 -0.0255 0.0478 0.2255 38 LEU A CA 260 C C . LEU A 40 ? 0.9125 0.7210 0.6855 -0.0316 0.0546 0.2369 38 LEU A C 261 O O . LEU A 40 ? 0.8890 0.6924 0.6756 -0.0445 0.0650 0.2353 38 LEU A O 262 C CB . LEU A 40 ? 0.8155 0.6623 0.5566 -0.0248 0.0497 0.2291 38 LEU A CB 263 C CG . LEU A 40 ? 0.9649 0.8370 0.6997 -0.0207 0.0445 0.2166 38 LEU A CG 264 C CD1 . LEU A 40 ? 1.0479 0.9293 0.7562 -0.0229 0.0494 0.2183 38 LEU A CD1 265 C CD2 . LEU A 40 ? 0.9443 0.8236 0.6789 -0.0075 0.0288 0.2145 38 LEU A CD2 266 N N . GLY A 41 ? 0.8795 0.6724 0.6430 -0.0222 0.0484 0.2484 39 GLY A N 267 C CA . GLY A 41 ? 0.7793 0.5459 0.5451 -0.0267 0.0544 0.2607 39 GLY A CA 268 C C . GLY A 41 ? 0.8205 0.5713 0.6129 -0.0347 0.0583 0.2544 39 GLY A C 269 O O . GLY A 41 ? 0.9089 0.6541 0.7140 -0.0277 0.0510 0.2480 39 GLY A O 270 N N . ARG A 42 ? 0.8549 0.5997 0.6564 -0.0498 0.0698 0.2555 40 ARG A N 271 C CA . ARG A 42 ? 0.9593 0.6901 0.7868 -0.0600 0.0733 0.2483 40 ARG A CA 272 C C . ARG A 42 ? 0.8082 0.5558 0.6533 -0.0631 0.0705 0.2312 40 ARG A C 273 O O . ARG A 42 ? 0.7217 0.4580 0.5869 -0.0684 0.0693 0.2231 40 ARG A O 274 C CB . ARG A 42 ? 1.0945 0.8185 0.9287 -0.0763 0.0861 0.2539 40 ARG A CB 275 C CG . ARG A 42 ? 1.1585 0.9086 0.9906 -0.0849 0.0946 0.2503 40 ARG A CG 276 C CD . ARG A 42 ? 1.2217 0.9666 1.0593 -0.0997 0.1081 0.2582 40 ARG A CD 277 N NE . ARG A 42 ? 1.1878 0.9595 1.0304 -0.1084 0.1171 0.2520 40 ARG A NE 278 C CZ . ARG A 42 ? 1.1593 0.9449 1.0280 -0.1176 0.1194 0.2387 40 ARG A CZ 279 N NH1 . ARG A 42 ? 1.1091 0.8838 0.9990 -0.1202 0.1127 0.2298 40 ARG A NH1 280 N NH2 . ARG A 42 ? 1.1415 0.9521 1.0150 -0.1238 0.1281 0.2339 40 ARG A NH2 281 N N . LEU A 43 ? 0.8332 0.6067 0.6703 -0.0602 0.0694 0.2255 41 LEU A N 282 C CA . LEU A 43 ? 0.8067 0.5965 0.6594 -0.0624 0.0670 0.2105 41 LEU A CA 283 C C . LEU A 43 ? 0.7647 0.5563 0.6167 -0.0488 0.0552 0.2050 41 LEU A C 284 O O . LEU A 43 ? 0.7621 0.5636 0.6274 -0.0496 0.0521 0.1935 41 LEU A O 285 C CB . LEU A 43 ? 0.6822 0.4984 0.5302 -0.0666 0.0730 0.2058 41 LEU A CB 286 C CG . LEU A 43 ? 0.7927 0.6117 0.6446 -0.0803 0.0862 0.2100 41 LEU A CG 287 C CD1 . LEU A 43 ? 0.7501 0.5955 0.5967 -0.0821 0.0923 0.2043 41 LEU A CD1 288 C CD2 . LEU A 43 ? 0.7112 0.5211 0.5917 -0.0939 0.0906 0.2051 41 LEU A CD2 289 N N . ARG A 44 ? 0.7775 0.5602 0.6156 -0.0364 0.0485 0.2136 42 ARG A N 290 C CA . ARG A 44 ? 0.7117 0.4968 0.5519 -0.0230 0.0378 0.2093 42 ARG A CA 291 C C . ARG A 44 ? 0.6597 0.4261 0.5200 -0.0256 0.0372 0.2022 42 ARG A C 292 O O . ARG A 44 ? 0.7818 0.5245 0.6483 -0.0314 0.0415 0.2062 42 ARG A O 293 C CB . ARG A 44 ? 0.6607 0.4406 0.4850 -0.0089 0.0311 0.2207 42 ARG A CB 294 C CG . ARG A 44 ? 0.6318 0.4205 0.4597 0.0060 0.0200 0.2164 42 ARG A CG 295 C CD . ARG A 44 ? 0.5949 0.3720 0.4152 0.0199 0.0139 0.2279 42 ARG A CD 296 N NE . ARG A 44 ? 0.6062 0.4007 0.4071 0.0265 0.0082 0.2349 42 ARG A NE 297 C CZ . ARG A 44 ? 0.7088 0.4997 0.5012 0.0392 0.0011 0.2453 42 ARG A CZ 298 N NH1 . ARG A 44 ? 0.8364 0.6062 0.6386 0.0477 -0.0002 0.2503 42 ARG A NH1 299 N NH2 . ARG A 44 ? 0.6428 0.4507 0.4167 0.0438 -0.0049 0.2502 42 ARG A NH2 300 N N . PHE A 45 ? 0.5895 0.3667 0.4591 -0.0220 0.0321 0.1912 43 PHE A N 301 C CA . PHE A 45 ? 0.5689 0.3310 0.4555 -0.0243 0.0309 0.1815 43 PHE A CA 302 C C . PHE A 45 ? 0.5884 0.3479 0.4906 -0.0412 0.0365 0.1729 43 PHE A C 303 O O . PHE A 45 ? 0.5974 0.3481 0.5125 -0.0443 0.0345 0.1625 43 PHE A O 304 C CB . PHE A 45 ? 0.6111 0.3441 0.5002 -0.0177 0.0298 0.1853 43 PHE A CB 305 C CG . PHE A 45 ? 0.6708 0.4057 0.5492 0.0000 0.0237 0.1935 43 PHE A CG 306 C CD1 . PHE A 45 ? 0.6346 0.3870 0.5132 0.0120 0.0169 0.1885 43 PHE A CD1 307 C CD2 . PHE A 45 ? 0.6802 0.3995 0.5501 0.0046 0.0246 0.2064 43 PHE A CD2 308 C CE1 . PHE A 45 ? 0.6596 0.4168 0.5322 0.0281 0.0107 0.1956 43 PHE A CE1 309 C CE2 . PHE A 45 ? 0.5974 0.3194 0.4598 0.0213 0.0182 0.2140 43 PHE A CE2 310 C CZ . PHE A 45 ? 0.6357 0.3777 0.5004 0.0330 0.0109 0.2083 43 PHE A CZ 311 N N . LYS A 46 ? 0.6468 0.4137 0.5483 -0.0521 0.0437 0.1766 44 LYS A N 312 C CA . LYS A 46 ? 0.7015 0.4721 0.6217 -0.0679 0.0485 0.1677 44 LYS A CA 313 C C . LYS A 46 ? 0.6402 0.4391 0.5696 -0.0693 0.0447 0.1585 44 LYS A C 314 O O . LYS A 46 ? 0.5268 0.3443 0.4444 -0.0594 0.0396 0.1575 44 LYS A O 315 C CB . LYS A 46 ? 0.7036 0.4752 0.6237 -0.0794 0.0582 0.1746 44 LYS A CB 316 C CG . LYS A 46 ? 0.7807 0.5269 0.6954 -0.0803 0.0607 0.1854 44 LYS A CG 317 C CD . LYS A 46 ? 0.7743 0.5196 0.6974 -0.0959 0.0707 0.1894 44 LYS A CD 318 C CE . LYS A 46 ? 0.8963 0.6376 0.8450 -0.1104 0.0707 0.1770 44 LYS A CE 319 N NZ . LYS A 46 ? 0.9838 0.7240 0.9444 -0.1261 0.0798 0.1807 44 LYS A NZ 320 N N . LYS A 47 ? 0.5535 0.3588 0.5024 -0.0817 0.0443 0.1467 45 LYS A N 321 C CA . LYS A 47 ? 0.5281 0.3630 0.4841 -0.0835 0.0400 0.1350 45 LYS A CA 322 C C . LYS A 47 ? 0.6322 0.4865 0.5798 -0.0833 0.0480 0.1433 45 LYS A C 323 O O . LYS A 47 ? 0.7272 0.5730 0.6683 -0.0864 0.0583 0.1563 45 LYS A O 324 C CB . LYS A 47 ? 0.4565 0.2950 0.4364 -0.0967 0.0384 0.1235 45 LYS A CB 325 C CG . LYS A 47 ? 0.5542 0.3714 0.5395 -0.0982 0.0309 0.1143 45 LYS A CG 326 C CD . LYS A 47 ? 0.6445 0.4757 0.6446 -0.1039 0.0218 0.0981 45 LYS A CD 327 C CE . LYS A 47 ? 0.6886 0.5324 0.7118 -0.1186 0.0257 0.0963 45 LYS A CE 328 N NZ . LYS A 47 ? 0.7045 0.5647 0.7414 -0.1220 0.0149 0.0813 45 LYS A NZ 329 N N . PRO A 48 ? 0.5604 0.4393 0.5059 -0.0794 0.0441 0.1351 46 PRO A N 330 C CA . PRO A 48 ? 0.4790 0.3751 0.4156 -0.0798 0.0525 0.1408 46 PRO A CA 331 C C . PRO A 48 ? 0.6185 0.5200 0.5725 -0.0927 0.0639 0.1426 46 PRO A C 332 O O . PRO A 48 ? 0.6577 0.5618 0.6351 -0.1009 0.0614 0.1335 46 PRO A O 333 C CB . PRO A 48 ? 0.4871 0.4051 0.4229 -0.0746 0.0455 0.1284 46 PRO A CB 334 C CG . PRO A 48 ? 0.4306 0.3462 0.3827 -0.0761 0.0358 0.1158 46 PRO A CG 335 C CD . PRO A 48 ? 0.4840 0.3744 0.4348 -0.0754 0.0332 0.1204 46 PRO A CD 336 N N . GLN A 49 ? 0.5407 0.4446 0.4834 -0.0944 0.0761 0.1539 47 GLN A N 337 C CA . GLN A 49 ? 0.5942 0.5060 0.5528 -0.1053 0.0886 0.1535 47 GLN A CA 338 C C . GLN A 49 ? 0.6506 0.5895 0.6094 -0.1043 0.0939 0.1492 47 GLN A C 339 O O . GLN A 49 ? 0.6044 0.5498 0.5393 -0.0954 0.0930 0.1507 47 GLN A O 340 C CB . GLN A 49 ? 0.7350 0.6302 0.6785 -0.1087 0.0985 0.1643 47 GLN A CB 341 C CG . GLN A 49 ? 0.8182 0.6845 0.7592 -0.1095 0.0936 0.1696 47 GLN A CG 342 C CD . GLN A 49 ? 0.9827 0.8426 0.9526 -0.1189 0.0892 0.1606 47 GLN A CD 343 O OE1 . GLN A 49 ? 1.0579 0.9311 1.0515 -0.1303 0.0939 0.1548 47 GLN A OE1 344 N NE2 . GLN A 49 ? 0.9991 0.8396 0.9672 -0.1140 0.0796 0.1584 47 GLN A NE2 345 N N . SER A 50 ? 0.6414 0.5962 0.6279 -0.1130 0.0988 0.1425 48 SER A N 346 C CA . SER A 50 ? 0.6046 0.5840 0.5948 -0.1112 0.1050 0.1354 48 SER A CA 347 C C . SER A 50 ? 0.6338 0.6166 0.5989 -0.1084 0.1190 0.1435 48 SER A C 348 O O . SER A 50 ? 0.5723 0.5430 0.5268 -0.1127 0.1269 0.1515 48 SER A O 349 C CB . SER A 50 ? 0.6277 0.6234 0.6551 -0.1209 0.1096 0.1287 48 SER A CB 350 O OG . SER A 50 ? 0.7028 0.7039 0.7475 -0.1190 0.0943 0.1157 48 SER A OG 351 N N . LEU A 51 ? 0.6871 0.6851 0.6397 -0.1011 0.1189 0.1370 49 LEU A N 352 C CA . LEU A 51 ? 0.7406 0.7436 0.6667 -0.0977 0.1308 0.1406 49 LEU A CA 353 C C . LEU A 51 ? 0.7293 0.7481 0.6740 -0.1052 0.1467 0.1380 49 LEU A C 354 O O . LEU A 51 ? 0.7570 0.7931 0.7301 -0.1066 0.1489 0.1295 49 LEU A O 355 C CB . LEU A 51 ? 0.7858 0.7992 0.6941 -0.0881 0.1232 0.1307 49 LEU A CB 356 C CG . LEU A 51 ? 0.8824 0.8995 0.7562 -0.0827 0.1309 0.1323 49 LEU A CG 357 C CD1 . LEU A 51 ? 0.8825 0.8790 0.7266 -0.0784 0.1280 0.1432 49 LEU A CD1 358 C CD2 . LEU A 51 ? 0.9244 0.9508 0.7885 -0.0755 0.1204 0.1183 49 LEU A CD2 359 N N . THR A 52 ? 0.7170 0.7326 0.6478 -0.1096 0.1566 0.1460 50 THR A N 360 C CA . THR A 52 ? 0.6867 0.7214 0.6358 -0.1158 0.1715 0.1446 50 THR A CA 361 C C . THR A 52 ? 0.8122 0.8646 0.7478 -0.1081 0.1791 0.1367 50 THR A C 362 O O . THR A 52 ? 0.8429 0.9098 0.7993 -0.1051 0.1803 0.1257 50 THR A O 363 C CB . THR A 52 ? 0.8256 0.8524 0.7652 -0.1233 0.1806 0.1572 50 THR A CB 364 O OG1 . THR A 52 ? 0.8291 0.8456 0.7263 -0.1174 0.1802 0.1644 50 THR A OG1 365 C CG2 . THR A 52 ? 0.7661 0.7741 0.7215 -0.1315 0.1741 0.1637 50 THR A CG2 366 N N . LYS A 53 ? 0.8334 0.8834 0.7337 -0.1048 0.1837 0.1419 51 LYS A N 367 C CA . LYS A 53 ? 0.7203 0.7852 0.6033 -0.0973 0.1909 0.1341 51 LYS A CA 368 C C . LYS A 53 ? 0.7910 0.8453 0.6294 -0.0916 0.1842 0.1389 51 LYS A C 369 O O . LYS A 53 ? 0.8707 0.9086 0.6925 -0.0955 0.1812 0.1502 51 LYS A O 370 C CB . LYS A 53 ? 0.7320 0.8132 0.6259 -0.1014 0.2093 0.1346 51 LYS A CB 371 C CG . LYS A 53 ? 0.7290 0.8303 0.6461 -0.0972 0.2185 0.1205 51 LYS A CG 372 C CD . LYS A 53 ? 0.7393 0.8461 0.7009 -0.1010 0.2138 0.1149 51 LYS A CD 373 C CE . LYS A 53 ? 0.7737 0.9035 0.7674 -0.1002 0.2267 0.1055 51 LYS A CE 374 N NZ . LYS A 53 ? 0.8505 0.9874 0.8277 -0.0896 0.2332 0.0935 51 LYS A NZ 375 N N . TRP A 54 ? 0.8693 0.9311 0.6895 -0.0809 0.1812 0.1298 52 TRP A N 376 C CA . TRP A 54 ? 0.8710 0.9293 0.6518 -0.0740 0.1757 0.1329 52 TRP A CA 377 C C . TRP A 54 ? 0.9473 1.0197 0.7136 -0.0726 0.1914 0.1300 52 TRP A C 378 O O . TRP A 54 ? 0.9335 1.0189 0.7201 -0.0740 0.2052 0.1225 52 TRP A O 379 C CB . TRP A 54 ? 0.7918 0.8293 0.5517 -0.0585 0.1674 0.1230 52 TRP A CB 380 C CG . TRP A 54 ? 0.6995 0.7537 0.4690 -0.0589 0.1691 0.1058 52 TRP A CG 381 C CD1 . TRP A 54 ? 0.6230 0.6890 0.3813 -0.0557 0.1796 0.0955 52 TRP A CD1 382 C CD2 . TRP A 54 ? 0.6069 0.6641 0.3987 -0.0628 0.1594 0.0946 52 TRP A CD2 383 N NE1 . TRP A 54 ? 0.6007 0.6728 0.3737 -0.0569 0.1781 0.0781 52 TRP A NE1 384 C CE2 . TRP A 54 ? 0.5521 0.6200 0.3455 -0.0613 0.1658 0.0778 52 TRP A CE2 385 C CE3 . TRP A 54 ? 0.6700 0.7221 0.4804 -0.0669 0.1462 0.0973 52 TRP A CE3 386 C CZ2 . TRP A 54 ? 0.6827 0.7545 0.4978 -0.0620 0.1586 0.0644 52 TRP A CZ2 387 C CZ3 . TRP A 54 ? 0.7203 0.7775 0.5538 -0.0660 0.1371 0.0836 52 TRP A CZ3 388 C CH2 . TRP A 54 ? 0.7063 0.7726 0.5429 -0.0630 0.1428 0.0679 52 TRP A CH2 389 N N . SER A 55 ? 1.0024 1.0720 0.7331 -0.0713 0.1888 0.1351 53 SER A N 390 C CA . SER A 55 ? 1.0285 1.1104 0.7405 -0.0698 0.2032 0.1332 53 SER A CA 391 C C . SER A 55 ? 1.0227 1.1089 0.7166 -0.0536 0.2031 0.1189 53 SER A C 392 O O . SER A 55 ? 0.9929 1.0601 0.6690 -0.0425 0.1908 0.1138 53 SER A O 393 C CB . SER A 55 ? 1.1349 1.2058 0.8123 -0.0769 0.2017 0.1451 53 SER A CB 394 O OG . SER A 55 ? 1.1872 1.2399 0.8744 -0.0866 0.2017 0.1591 53 SER A OG 395 N N . ASP A 56 ? 0.9620 1.0612 0.6548 -0.0535 0.2193 0.1098 54 ASP A N 396 C CA . ASP A 56 ? 1.0282 1.1268 0.6991 -0.0430 0.2211 0.0926 54 ASP A CA 397 C C . ASP A 56 ? 1.0003 1.0906 0.6852 -0.0409 0.2124 0.0773 54 ASP A C 398 O O . ASP A 56 ? 1.0245 1.1159 0.7449 -0.0467 0.2113 0.0773 54 ASP A O 399 C CB . ASP A 56 ? 1.1515 1.2401 0.7769 -0.0342 0.2121 0.0945 54 ASP A CB 400 C CG . ASP A 56 ? 1.3400 1.4434 0.9447 -0.0362 0.2242 0.1005 54 ASP A CG 401 O OD1 . ASP A 56 ? 1.3617 1.4765 0.9841 -0.0483 0.2369 0.1096 54 ASP A OD1 402 O OD2 . ASP A 56 ? 1.4275 1.5267 0.9951 -0.0271 0.2217 0.0947 54 ASP A OD2 403 N N . ILE A 57 ? 0.9065 0.9886 0.5645 -0.0352 0.2040 0.0625 55 ILE A N 404 C CA . ILE A 57 ? 0.8050 0.8821 0.4755 -0.0370 0.1925 0.0464 55 ILE A CA 405 C C . ILE A 57 ? 0.8292 0.8944 0.4856 -0.0372 0.1709 0.0505 55 ILE A C 406 O O . ILE A 57 ? 0.8761 0.9346 0.4986 -0.0327 0.1627 0.0518 55 ILE A O 407 C CB . ILE A 57 ? 0.7060 0.7845 0.3621 -0.0333 0.1958 0.0249 55 ILE A CB 408 C CG1 . ILE A 57 ? 0.6739 0.7643 0.3409 -0.0315 0.2182 0.0213 55 ILE A CG1 409 C CG2 . ILE A 57 ? 0.5914 0.6667 0.2661 -0.0362 0.1856 0.0090 55 ILE A CG2 410 C CD1 . ILE A 57 ? 0.8288 0.9184 0.4863 -0.0271 0.2235 -0.0009 55 ILE A CD1 411 N N . TRP A 58 ? 0.7873 0.8512 0.4706 -0.0422 0.1615 0.0527 56 TRP A N 412 C CA . TRP A 58 ? 0.8101 0.8672 0.4865 -0.0425 0.1404 0.0548 56 TRP A CA 413 C C . TRP A 58 ? 0.8525 0.9118 0.5206 -0.0422 0.1282 0.0356 56 TRP A C 414 O O . TRP A 58 ? 0.7966 0.8599 0.4832 -0.0450 0.1318 0.0217 56 TRP A O 415 C CB . TRP A 58 ? 0.8403 0.8966 0.5487 -0.0477 0.1349 0.0632 56 TRP A CB 416 C CG . TRP A 58 ? 0.7475 0.7978 0.4500 -0.0465 0.1149 0.0690 56 TRP A CG 417 C CD1 . TRP A 58 ? 0.6932 0.7467 0.3973 -0.0468 0.0989 0.0586 56 TRP A CD1 418 C CD2 . TRP A 58 ? 0.6798 0.7197 0.3750 -0.0442 0.1095 0.0864 56 TRP A CD2 419 N NE1 . TRP A 58 ? 0.6587 0.7074 0.3593 -0.0441 0.0837 0.0687 56 TRP A NE1 420 C CE2 . TRP A 58 ? 0.6166 0.6559 0.3112 -0.0422 0.0897 0.0855 56 TRP A CE2 421 C CE3 . TRP A 58 ? 0.6835 0.7129 0.3731 -0.0439 0.1203 0.1023 56 TRP A CE3 422 C CZ2 . TRP A 58 ? 0.6392 0.6684 0.3287 -0.0386 0.0803 0.0996 56 TRP A CZ2 423 C CZ3 . TRP A 58 ? 0.6925 0.7081 0.3744 -0.0419 0.1108 0.1158 56 TRP A CZ3 424 C CH2 . TRP A 58 ? 0.6399 0.6563 0.3223 -0.0385 0.0908 0.1144 56 TRP A CH2 425 N N . ASN A 59 ? 0.8153 0.8712 0.4566 -0.0390 0.1139 0.0349 57 ASN A N 426 C CA . ASN A 59 ? 0.7191 0.7772 0.3520 -0.0395 0.1012 0.0172 57 ASN A CA 427 C C . ASN A 59 ? 0.6906 0.7508 0.3416 -0.0425 0.0834 0.0175 57 ASN A C 428 O O . ASN A 59 ? 0.6919 0.7516 0.3346 -0.0401 0.0688 0.0259 57 ASN A O 429 C CB . ASN A 59 ? 0.8247 0.8801 0.4201 -0.0349 0.0947 0.0147 57 ASN A CB 430 C CG . ASN A 59 ? 0.9570 1.0102 0.5310 -0.0311 0.1131 0.0139 57 ASN A CG 431 O OD1 . ASN A 59 ? 0.7729 0.8289 0.3552 -0.0319 0.1265 0.0014 57 ASN A OD1 432 N ND2 . ASN A 59 ? 1.2913 1.3387 0.8379 -0.0263 0.1145 0.0276 57 ASN A ND2 433 N N . ALA A 60 ? 0.6148 0.6772 0.2913 -0.0471 0.0854 0.0085 58 ALA A N 434 C CA . ALA A 60 ? 0.5727 0.6370 0.2663 -0.0499 0.0705 0.0080 58 ALA A CA 435 C C . ALA A 60 ? 0.7016 0.7677 0.3865 -0.0514 0.0586 -0.0091 58 ALA A C 436 O O . ALA A 60 ? 0.7068 0.7711 0.4055 -0.0550 0.0599 -0.0230 58 ALA A O 437 C CB . ALA A 60 ? 0.6133 0.6748 0.3419 -0.0515 0.0765 0.0072 58 ALA A CB 438 N N . THR A 61 ? 0.6123 0.6807 0.2761 -0.0486 0.0470 -0.0082 59 THR A N 439 C CA . THR A 61 ? 0.6501 0.7212 0.3068 -0.0511 0.0353 -0.0247 59 THR A CA 440 C C . THR A 61 ? 0.6940 0.7726 0.3519 -0.0502 0.0154 -0.0192 59 THR A C 441 O O . THR A 61 ? 0.6829 0.7660 0.3337 -0.0523 0.0041 -0.0307 59 THR A O 442 C CB . THR A 61 ? 0.7651 0.8332 0.3932 -0.0493 0.0405 -0.0351 59 THR A CB 443 O OG1 . THR A 61 ? 0.8469 0.9150 0.4516 -0.0434 0.0389 -0.0210 59 THR A OG1 444 C CG2 . THR A 61 ? 0.6214 0.6831 0.2517 -0.0495 0.0611 -0.0438 59 THR A CG2 445 N N . LYS A 62 ? 0.7319 0.8120 0.4007 -0.0470 0.0114 -0.0020 60 LYS A N 446 C CA . LYS A 62 ? 0.7183 0.8062 0.3944 -0.0451 -0.0061 0.0033 60 LYS A CA 447 C C . LYS A 62 ? 0.6552 0.7411 0.3529 -0.0434 -0.0056 0.0176 60 LYS A C 448 O O . LYS A 62 ? 0.7122 0.7903 0.4118 -0.0423 0.0064 0.0275 60 LYS A O 449 C CB . LYS A 62 ? 0.7550 0.8448 0.4069 -0.0388 -0.0144 0.0112 60 LYS A CB 450 C CG . LYS A 62 ? 0.8293 0.9101 0.4701 -0.0326 -0.0065 0.0302 60 LYS A CG 451 C CD . LYS A 62 ? 0.9463 1.0262 0.5581 -0.0267 -0.0143 0.0366 60 LYS A CD 452 C CE . LYS A 62 ? 1.0578 1.1252 0.6586 -0.0211 -0.0057 0.0566 60 LYS A CE 453 N NZ . LYS A 62 ? 1.1581 1.2218 0.7288 -0.0152 -0.0136 0.0648 60 LYS A NZ 454 N N . TYR A 63 ? 0.5722 0.6654 0.2875 -0.0437 -0.0180 0.0180 61 TYR A N 455 C CA . TYR A 63 ? 0.6118 0.7020 0.3465 -0.0413 -0.0185 0.0311 61 TYR A CA 456 C C . TYR A 63 ? 0.6305 0.7145 0.3556 -0.0335 -0.0179 0.0492 61 TYR A C 457 O O . TYR A 63 ? 0.6769 0.7630 0.3831 -0.0289 -0.0234 0.0521 61 TYR A O 458 C CB . TYR A 63 ? 0.5733 0.6736 0.3266 -0.0417 -0.0318 0.0283 61 TYR A CB 459 C CG . TYR A 63 ? 0.5774 0.6786 0.3477 -0.0491 -0.0316 0.0127 61 TYR A CG 460 C CD1 . TYR A 63 ? 0.5960 0.6843 0.3876 -0.0501 -0.0225 0.0120 61 TYR A CD1 461 C CD2 . TYR A 63 ? 0.5526 0.6654 0.3213 -0.0543 -0.0409 -0.0010 61 TYR A CD2 462 C CE1 . TYR A 63 ? 0.5072 0.5926 0.3158 -0.0551 -0.0219 -0.0005 61 TYR A CE1 463 C CE2 . TYR A 63 ? 0.6099 0.7191 0.3974 -0.0607 -0.0394 -0.0143 61 TYR A CE2 464 C CZ . TYR A 63 ? 0.6172 0.7119 0.4238 -0.0605 -0.0296 -0.0131 61 TYR A CZ 465 O OH . TYR A 63 ? 0.6063 0.6955 0.4295 -0.0660 -0.0278 -0.0245 61 TYR A OH 466 N N . ALA A 64 ? 0.6967 0.7714 0.4343 -0.0323 -0.0113 0.0610 62 ALA A N 467 C CA . ALA A 64 ? 0.7138 0.7780 0.4445 -0.0260 -0.0087 0.0782 62 ALA A CA 468 C C . ALA A 64 ? 0.6778 0.7436 0.4169 -0.0188 -0.0213 0.0870 62 ALA A C 469 O O . ALA A 64 ? 0.5849 0.6623 0.3369 -0.0190 -0.0316 0.0800 62 ALA A O 470 C CB . ALA A 64 ? 0.6949 0.7473 0.4371 -0.0293 0.0046 0.0858 62 ALA A CB 471 N N . ASN A 65 ? 0.6139 0.6676 0.3461 -0.0127 -0.0196 0.1023 63 ASN A N 472 C CA . ASN A 65 ? 0.6036 0.6557 0.3449 -0.0047 -0.0294 0.1119 63 ASN A CA 473 C C . ASN A 65 ? 0.6442 0.6965 0.4121 -0.0061 -0.0304 0.1102 63 ASN A C 474 O O . ASN A 65 ? 0.6285 0.6728 0.4061 -0.0121 -0.0208 0.1092 63 ASN A O 475 C CB . ASN A 65 ? 0.6852 0.7184 0.4160 0.0006 -0.0243 0.1286 63 ASN A CB 476 C CG . ASN A 65 ? 0.7803 0.8105 0.4811 0.0024 -0.0234 0.1325 63 ASN A CG 477 O OD1 . ASN A 65 ? 0.6917 0.7342 0.3803 0.0056 -0.0346 0.1280 63 ASN A OD1 478 N ND2 . ASN A 65 ? 0.7583 0.7723 0.4472 -0.0004 -0.0100 0.1408 63 ASN A ND2 479 N N . SER A 66 ? 0.6134 0.6755 0.3933 -0.0007 -0.0418 0.1099 64 SER A N 480 C CA . SER A 66 ? 0.6520 0.7117 0.4546 0.0001 -0.0424 0.1108 64 SER A CA 481 C C . SER A 66 ? 0.5964 0.6370 0.4011 0.0075 -0.0392 0.1258 64 SER A C 482 O O . SER A 66 ? 0.4881 0.5219 0.2786 0.0134 -0.0405 0.1351 64 SER A O 483 C CB . SER A 66 ? 0.5760 0.6555 0.3921 0.0032 -0.0544 0.1045 64 SER A CB 484 O OG . SER A 66 ? 0.6452 0.7410 0.4576 -0.0040 -0.0582 0.0904 64 SER A OG 485 N N . CYS A 67 ? 0.5030 0.5330 0.3240 0.0067 -0.0353 0.1278 65 CYS A N 486 C CA . CYS A 67 ? 0.5189 0.5276 0.3432 0.0127 -0.0316 0.1401 65 CYS A CA 487 C C . CYS A 67 ? 0.6040 0.6163 0.4329 0.0253 -0.0409 0.1463 65 CYS A C 488 O O . CYS A 67 ? 0.5847 0.6173 0.4230 0.0285 -0.0497 0.1402 65 CYS A O 489 C CB . CYS A 67 ? 0.5027 0.4960 0.3446 0.0074 -0.0246 0.1352 65 CYS A CB 490 S SG . CYS A 67 ? 0.7189 0.7060 0.5599 -0.0063 -0.0131 0.1288 65 CYS A SG 491 N N . CYS A 68 ? 0.6411 0.6340 0.4644 0.0319 -0.0388 0.1585 66 CYS A N 492 C CA . CYS A 68 ? 0.5682 0.5616 0.3962 0.0450 -0.0469 0.1661 66 CYS A CA 493 C C . CYS A 68 ? 0.6455 0.6451 0.4961 0.0504 -0.0495 0.1618 66 CYS A C 494 O O . CYS A 68 ? 0.5911 0.5768 0.4511 0.0466 -0.0423 0.1596 66 CYS A O 495 C CB . CYS A 68 ? 0.5730 0.5382 0.3931 0.0495 -0.0418 0.1796 66 CYS A CB 496 S SG . CYS A 68 ? 0.8665 0.8247 0.6576 0.0464 -0.0398 0.1883 66 CYS A SG 497 N N . GLN A 69 ? 0.6100 0.6313 0.4696 0.0592 -0.0597 0.1605 67 GLN A N 498 C CA . GLN A 69 ? 0.5232 0.5552 0.4050 0.0654 -0.0619 0.1565 67 GLN A CA 499 C C . GLN A 69 ? 0.5376 0.5917 0.4295 0.0773 -0.0730 0.1588 67 GLN A C 500 O O . GLN A 69 ? 0.5404 0.6072 0.4216 0.0775 -0.0810 0.1600 67 GLN A O 501 C CB . GLN A 69 ? 0.4816 0.5262 0.3724 0.0526 -0.0597 0.1384 67 GLN A CB 502 C CG . GLN A 69 ? 0.4134 0.4838 0.2957 0.0454 -0.0670 0.1319 67 GLN A CG 503 C CD . GLN A 69 ? 0.5198 0.5951 0.4087 0.0320 -0.0625 0.1153 67 GLN A CD 504 O OE1 . GLN A 69 ? 0.5642 0.6532 0.4705 0.0308 -0.0643 0.1057 67 GLN A OE1 505 N NE2 . GLN A 69 ? 0.4288 0.4929 0.3047 0.0223 -0.0560 0.1125 67 GLN A NE2 506 N N . ASN A 70 ? 0.5610 0.6200 0.4739 0.0873 -0.0733 0.1589 68 ASN A N 507 C CA . ASN A 70 ? 0.5645 0.6516 0.4934 0.0976 -0.0838 0.1590 68 ASN A CA 508 C C . ASN A 70 ? 0.5827 0.7026 0.5212 0.0878 -0.0895 0.1455 68 ASN A C 509 O O . ASN A 70 ? 0.6725 0.7872 0.6107 0.0741 -0.0824 0.1330 68 ASN A O 510 C CB . ASN A 70 ? 0.6204 0.7020 0.5707 0.1126 -0.0804 0.1629 68 ASN A CB 511 C CG . ASN A 70 ? 0.6052 0.6528 0.5471 0.1220 -0.0757 0.1746 68 ASN A CG 512 O OD1 . ASN A 70 ? 0.6715 0.7173 0.6044 0.1273 -0.0822 0.1831 68 ASN A OD1 513 N ND2 . ASN A 70 ? 0.5387 0.5581 0.4831 0.1235 -0.0645 0.1747 68 ASN A ND2 514 N N . ILE A 71 ? 0.6394 0.7884 0.5874 0.0925 -0.1012 0.1448 69 ILE A N 515 C CA . ILE A 71 ? 0.6538 0.8344 0.6106 0.0822 -0.1081 0.1322 69 ILE A CA 516 C C . ILE A 71 ? 0.5931 0.7998 0.5831 0.0884 -0.1106 0.1274 69 ILE A C 517 O O . ILE A 71 ? 0.6883 0.9002 0.6924 0.1038 -0.1138 0.1359 69 ILE A O 518 C CB . ILE A 71 ? 0.7514 0.9442 0.6937 0.0796 -0.1197 0.1312 69 ILE A CB 519 C CG1 . ILE A 71 ? 0.7909 0.9563 0.7007 0.0751 -0.1153 0.1366 69 ILE A CG1 520 C CG2 . ILE A 71 ? 0.7916 1.0124 0.7410 0.0668 -0.1262 0.1163 69 ILE A CG2 521 C CD1 . ILE A 71 ? 0.7579 0.9103 0.6571 0.0617 -0.1051 0.1293 69 ILE A CD1 522 N N . ASP A 72 ? 0.5721 0.7913 0.5757 0.0755 -0.1068 0.1122 70 ASP A N 523 C CA . ASP A 72 ? 0.5394 0.7863 0.5762 0.0786 -0.1079 0.1061 70 ASP A CA 524 C C . ASP A 72 ? 0.4431 0.7292 0.4898 0.0810 -0.1255 0.1071 70 ASP A C 525 O O . ASP A 72 ? 0.4892 0.7844 0.5236 0.0684 -0.1326 0.0994 70 ASP A O 526 C CB . ASP A 72 ? 0.4694 0.7150 0.5160 0.0633 -0.0975 0.0908 70 ASP A CB 527 C CG . ASP A 72 ? 0.6505 0.9229 0.7317 0.0655 -0.0953 0.0850 70 ASP A CG 528 O OD1 . ASP A 72 ? 0.7874 1.0850 0.8885 0.0782 -0.1036 0.0912 70 ASP A OD1 529 O OD2 . ASP A 72 ? 0.5968 0.8658 0.6861 0.0546 -0.0850 0.0746 70 ASP A OD2 530 N N . GLN A 73 ? 0.4073 0.7090 0.4753 0.0959 -0.1305 0.1136 71 GLN A N 531 C CA . GLN A 73 ? 0.4515 0.7787 0.5283 0.0970 -0.1450 0.1117 71 GLN A CA 532 C C . GLN A 73 ? 0.3693 0.7284 0.4873 0.1031 -0.1459 0.1081 71 GLN A C 533 O O . GLN A 73 ? 0.4951 0.8751 0.6268 0.1091 -0.1576 0.1093 71 GLN A O 534 C CB . GLN A 73 ? 0.6477 0.9581 0.7056 0.1104 -0.1521 0.1252 71 GLN A CB 535 C CG . GLN A 73 ? 0.7522 1.0317 0.7699 0.1046 -0.1503 0.1297 71 GLN A CG 536 C CD . GLN A 73 ? 0.8825 1.1438 0.8829 0.1178 -0.1554 0.1444 71 GLN A CD 537 O OE1 . GLN A 73 ? 0.9456 1.1913 0.9534 0.1318 -0.1501 0.1548 71 GLN A OE1 538 N NE2 . GLN A 73 ? 0.8706 1.1323 0.8471 0.1133 -0.1653 0.1451 71 GLN A NE2 539 N N . SER A 74 ? 0.4351 0.7985 0.5733 0.1017 -0.1332 0.1037 72 SER A N 540 C CA . SER A 74 ? 0.4520 0.8453 0.6313 0.1072 -0.1304 0.0998 72 SER A CA 541 C C . SER A 74 ? 0.4842 0.9119 0.6826 0.0923 -0.1398 0.0873 72 SER A C 542 O O . SER A 74 ? 0.5336 0.9893 0.7652 0.0971 -0.1427 0.0851 72 SER A O 543 C CB . SER A 74 ? 0.4253 0.8045 0.6154 0.1057 -0.1106 0.0949 72 SER A CB 544 O OG . SER A 74 ? 0.5911 0.9252 0.7531 0.1107 -0.1004 0.1006 72 SER A OG 545 N N . PHE A 75 ? 0.4585 0.8822 0.6364 0.0743 -0.1440 0.0786 73 PHE A N 546 C CA . PHE A 75 ? 0.4838 0.9343 0.6776 0.0581 -0.1518 0.0651 73 PHE A CA 547 C C . PHE A 75 ? 0.5168 0.9601 0.6804 0.0481 -0.1649 0.0605 73 PHE A C 548 O O . PHE A 75 ? 0.5554 0.9862 0.7002 0.0326 -0.1615 0.0517 73 PHE A O 549 C CB . PHE A 75 ? 0.4834 0.9389 0.6916 0.0417 -0.1389 0.0537 73 PHE A CB 550 C CG . PHE A 75 ? 0.3624 0.8217 0.5963 0.0501 -0.1230 0.0571 73 PHE A CG 551 C CD1 . PHE A 75 ? 0.3278 0.8156 0.6003 0.0578 -0.1217 0.0570 73 PHE A CD1 552 C CD2 . PHE A 75 ? 0.2757 0.6931 0.4883 0.0484 -0.1054 0.0570 73 PHE A CD2 553 C CE1 . PHE A 75 ? 0.3708 0.8583 0.6641 0.0656 -0.1043 0.0588 73 PHE A CE1 554 C CE2 . PHE A 75 ? 0.2355 0.6448 0.4639 0.0549 -0.0884 0.0576 73 PHE A CE2 555 C CZ . PHE A 75 ? 0.4168 0.8603 0.6844 0.0635 -0.0870 0.0583 73 PHE A CZ 556 N N . PRO A 76 ? 0.5225 0.9737 0.6816 0.0573 -0.1796 0.0661 74 PRO A N 557 C CA . PRO A 76 ? 0.5655 1.0097 0.6937 0.0501 -0.1921 0.0628 74 PRO A CA 558 C C . PRO A 76 ? 0.5451 1.0049 0.6804 0.0297 -0.1967 0.0453 74 PRO A C 559 O O . PRO A 76 ? 0.3744 0.8630 0.5428 0.0255 -0.2024 0.0384 74 PRO A O 560 C CB . PRO A 76 ? 0.4862 0.9438 0.6193 0.0651 -0.2074 0.0724 74 PRO A CB 561 C CG . PRO A 76 ? 0.5223 0.9801 0.6773 0.0831 -0.1998 0.0841 74 PRO A CG 562 C CD . PRO A 76 ? 0.5189 0.9855 0.7014 0.0759 -0.1851 0.0762 74 PRO A CD 563 N N . GLY A 77 ? 0.5950 1.0340 0.6998 0.0172 -0.1935 0.0380 75 GLY A N 564 C CA . GLY A 77 ? 0.6176 1.0647 0.7240 -0.0018 -0.1974 0.0211 75 GLY A CA 565 C C . GLY A 77 ? 0.6493 1.0970 0.7758 -0.0163 -0.1838 0.0105 75 GLY A C 566 O O . GLY A 77 ? 0.6771 1.1249 0.8032 -0.0332 -0.1843 -0.0038 75 GLY A O 567 N N . PHE A 78 ? 0.5758 1.0222 0.7189 -0.0095 -0.1713 0.0176 76 PHE A N 568 C CA . PHE A 78 ? 0.4146 0.8606 0.5762 -0.0219 -0.1571 0.0097 76 PHE A CA 569 C C . PHE A 78 ? 0.4056 0.8203 0.5370 -0.0294 -0.1469 0.0076 76 PHE A C 570 O O . PHE A 78 ? 0.4410 0.8370 0.5528 -0.0188 -0.1423 0.0184 76 PHE A O 571 C CB . PHE A 78 ? 0.4442 0.9040 0.6372 -0.0108 -0.1476 0.0179 76 PHE A CB 572 C CG . PHE A 78 ? 0.4701 0.9314 0.6836 -0.0233 -0.1319 0.0107 76 PHE A CG 573 C CD1 . PHE A 78 ? 0.4353 0.9110 0.6714 -0.0402 -0.1310 -0.0020 76 PHE A CD1 574 C CD2 . PHE A 78 ? 0.5093 0.9475 0.7160 -0.0181 -0.1158 0.0167 76 PHE A CD2 575 C CE1 . PHE A 78 ? 0.3334 0.8068 0.5867 -0.0521 -0.1148 -0.0075 76 PHE A CE1 576 C CE2 . PHE A 78 ? 0.4034 0.8311 0.6226 -0.0288 -0.0985 0.0106 76 PHE A CE2 577 C CZ . PHE A 78 ? 0.3354 0.7852 0.5795 -0.0460 -0.0984 -0.0007 76 PHE A CZ 578 N N . HIS A 79 ? 0.4572 0.8651 0.5861 -0.0476 -0.1433 -0.0063 77 HIS A N 579 C CA . HIS A 79 ? 0.3252 0.7038 0.4271 -0.0559 -0.1342 -0.0102 77 HIS A CA 580 C C . HIS A 79 ? 0.3357 0.6938 0.4405 -0.0518 -0.1175 -0.0035 77 HIS A C 581 O O . HIS A 79 ? 0.3708 0.6963 0.4489 -0.0490 -0.1095 0.0003 77 HIS A O 582 C CB . HIS A 79 ? 0.3334 0.7065 0.4368 -0.0754 -0.1321 -0.0269 77 HIS A CB 583 C CG . HIS A 79 ? 0.4087 0.7509 0.4849 -0.0834 -0.1232 -0.0319 77 HIS A CG 584 N ND1 . HIS A 79 ? 0.5028 0.8263 0.5441 -0.0780 -0.1260 -0.0291 77 HIS A ND1 585 C CD2 . HIS A 79 ? 0.4265 0.7502 0.5057 -0.0954 -0.1103 -0.0390 77 HIS A CD2 586 C CE1 . HIS A 79 ? 0.5344 0.8332 0.5604 -0.0865 -0.1160 -0.0351 77 HIS A CE1 587 N NE2 . HIS A 79 ? 0.5595 0.8533 0.6070 -0.0957 -0.1058 -0.0405 77 HIS A NE2 588 N N . GLY A 80 ? 0.3207 0.6925 0.4567 -0.0506 -0.1101 -0.0023 78 GLY A N 589 C CA . GLY A 80 ? 0.3642 0.7107 0.5006 -0.0456 -0.0923 0.0033 78 GLY A CA 590 C C . GLY A 80 ? 0.3945 0.7199 0.5103 -0.0287 -0.0903 0.0161 78 GLY A C 591 O O . GLY A 80 ? 0.3948 0.6881 0.4931 -0.0280 -0.0789 0.0183 78 GLY A O 592 N N . SER A 81 ? 0.3889 0.7318 0.5072 -0.0151 -0.1019 0.0247 79 SER A N 593 C CA . SER A 81 ? 0.3282 0.6496 0.4280 0.0006 -0.1000 0.0374 79 SER A CA 594 C C . SER A 81 ? 0.3705 0.6770 0.4369 0.0002 -0.1076 0.0401 79 SER A C 595 O O . SER A 81 ? 0.3969 0.6727 0.4413 0.0041 -0.1002 0.0459 79 SER A O 596 C CB . SER A 81 ? 0.3743 0.7172 0.4946 0.0181 -0.1055 0.0475 79 SER A CB 597 O OG . SER A 81 ? 0.4816 0.8599 0.6129 0.0194 -0.1232 0.0475 79 SER A OG 598 N N . GLU A 82 ? 0.2610 0.5888 0.3230 -0.0058 -0.1218 0.0352 80 GLU A N 599 C CA . GLU A 82 ? 0.2895 0.6056 0.3177 -0.0047 -0.1290 0.0387 80 GLU A CA 600 C C . GLU A 82 ? 0.4029 0.6901 0.4071 -0.0164 -0.1194 0.0312 80 GLU A C 601 O O . GLU A 82 ? 0.5137 0.7860 0.4896 -0.0144 -0.1207 0.0355 80 GLU A O 602 C CB . GLU A 82 ? 0.2985 0.6355 0.3246 -0.0060 -0.1443 0.0345 80 GLU A CB 603 C CG . GLU A 82 ? 0.4977 0.8542 0.5420 0.0089 -0.1534 0.0441 80 GLU A CG 604 C CD . GLU A 82 ? 0.6270 0.9967 0.6643 0.0088 -0.1687 0.0408 80 GLU A CD 605 O OE1 . GLU A 82 ? 0.7197 1.0897 0.7465 -0.0051 -0.1721 0.0278 80 GLU A OE1 606 O OE2 . GLU A 82 ? 0.5791 0.9580 0.6213 0.0228 -0.1774 0.0512 80 GLU A OE2 607 N N . MET A 83 ? 0.4445 0.7238 0.4602 -0.0281 -0.1093 0.0207 81 MET A N 608 C CA . MET A 83 ? 0.3857 0.6388 0.3820 -0.0382 -0.1005 0.0135 81 MET A CA 609 C C . MET A 83 ? 0.4119 0.6350 0.3945 -0.0305 -0.0895 0.0228 81 MET A C 610 O O . MET A 83 ? 0.4948 0.6963 0.4592 -0.0353 -0.0831 0.0201 81 MET A O 611 C CB . MET A 83 ? 0.4954 0.7471 0.5088 -0.0517 -0.0928 0.0013 81 MET A CB 612 C CG . MET A 83 ? 0.4089 0.6552 0.4429 -0.0484 -0.0816 0.0053 81 MET A CG 613 S SD . MET A 83 ? 0.4734 0.7201 0.5266 -0.0652 -0.0731 -0.0075 81 MET A SD 614 C CE . MET A 83 ? 0.3562 0.5629 0.3850 -0.0693 -0.0613 -0.0093 81 MET A CE 615 N N . TRP A 84 ? 0.3950 0.6170 0.3877 -0.0186 -0.0872 0.0333 82 TRP A N 616 C CA . TRP A 84 ? 0.4076 0.6013 0.3877 -0.0118 -0.0781 0.0417 82 TRP A CA 617 C C . TRP A 84 ? 0.4643 0.6532 0.4267 -0.0011 -0.0836 0.0541 82 TRP A C 618 O O . TRP A 84 ? 0.4494 0.6139 0.3986 0.0022 -0.0766 0.0605 82 TRP A O 619 C CB . TRP A 84 ? 0.3888 0.5756 0.3864 -0.0065 -0.0691 0.0441 82 TRP A CB 620 C CG . TRP A 84 ? 0.4614 0.6538 0.4757 -0.0166 -0.0630 0.0339 82 TRP A CG 621 C CD1 . TRP A 84 ? 0.3988 0.6157 0.4379 -0.0178 -0.0645 0.0304 82 TRP A CD1 622 C CD2 . TRP A 84 ? 0.4087 0.5821 0.4165 -0.0269 -0.0540 0.0268 82 TRP A CD2 623 N NE1 . TRP A 84 ? 0.4621 0.6743 0.5092 -0.0290 -0.0560 0.0221 82 TRP A NE1 624 C CE2 . TRP A 84 ? 0.3965 0.5814 0.4239 -0.0341 -0.0499 0.0201 82 TRP A CE2 625 C CE3 . TRP A 84 ? 0.4260 0.5746 0.4150 -0.0303 -0.0490 0.0262 82 TRP A CE3 626 C CZ2 . TRP A 84 ? 0.4342 0.6038 0.4602 -0.0440 -0.0410 0.0138 82 TRP A CZ2 627 C CZ3 . TRP A 84 ? 0.4283 0.5639 0.4178 -0.0391 -0.0412 0.0195 82 TRP A CZ3 628 C CH2 . TRP A 84 ? 0.4736 0.6184 0.4800 -0.0456 -0.0374 0.0138 82 TRP A CH2 629 N N . ASN A 85 ? 0.3897 0.6015 0.3517 0.0038 -0.0964 0.0578 83 ASN A N 630 C CA . ASN A 85 ? 0.4646 0.6710 0.4062 0.0136 -0.1019 0.0708 83 ASN A CA 631 C C . ASN A 85 ? 0.4782 0.6694 0.3917 0.0058 -0.0988 0.0683 83 ASN A C 632 O O . ASN A 85 ? 0.5289 0.7249 0.4387 -0.0060 -0.0987 0.0555 83 ASN A O 633 C CB . ASN A 85 ? 0.4725 0.7088 0.4183 0.0210 -0.1179 0.0755 83 ASN A CB 634 C CG . ASN A 85 ? 0.3988 0.6509 0.3735 0.0321 -0.1204 0.0804 83 ASN A CG 635 O OD1 . ASN A 85 ? 0.4308 0.6657 0.4152 0.0380 -0.1100 0.0845 83 ASN A OD1 636 N ND2 . ASN A 85 ? 0.3303 0.6120 0.3196 0.0344 -0.1328 0.0782 83 ASN A ND2 637 N N . PRO A 86 ? 0.4757 0.6475 0.3702 0.0121 -0.0949 0.0803 84 PRO A N 638 C CA . PRO A 86 ? 0.5130 0.6716 0.3817 0.0052 -0.0901 0.0788 84 PRO A CA 639 C C . PRO A 86 ? 0.5972 0.7688 0.4523 0.0021 -0.0985 0.0718 84 PRO A C 640 O O . PRO A 86 ? 0.5574 0.7435 0.4161 0.0088 -0.1092 0.0748 84 PRO A O 641 C CB . PRO A 86 ? 0.5159 0.6523 0.3719 0.0140 -0.0844 0.0944 84 PRO A CB 642 C CG . PRO A 86 ? 0.6173 0.7599 0.4868 0.0270 -0.0912 0.1044 84 PRO A CG 643 C CD . PRO A 86 ? 0.5387 0.6985 0.4354 0.0255 -0.0934 0.0956 84 PRO A CD 644 N N . ASN A 87 ? 0.5815 0.7469 0.4215 -0.0078 -0.0934 0.0619 85 ASN A N 645 C CA . ASN A 87 ? 0.5429 0.7190 0.3704 -0.0126 -0.1003 0.0514 85 ASN A CA 646 C C . ASN A 87 ? 0.6624 0.8226 0.4598 -0.0117 -0.0948 0.0551 85 ASN A C 647 O O . ASN A 87 ? 0.6731 0.8362 0.4548 -0.0171 -0.0967 0.0449 85 ASN A O 648 C CB . ASN A 87 ? 0.4762 0.6590 0.3127 -0.0257 -0.0988 0.0338 85 ASN A CB 649 C CG . ASN A 87 ? 0.5762 0.7405 0.4061 -0.0322 -0.0852 0.0303 85 ASN A CG 650 O OD1 . ASN A 87 ? 0.6330 0.7833 0.4633 -0.0281 -0.0775 0.0409 85 ASN A OD1 651 N ND2 . ASN A 87 ? 0.5863 0.7491 0.4101 -0.0422 -0.0823 0.0153 85 ASN A ND2 652 N N . THR A 88 ? 0.6444 0.7870 0.4341 -0.0052 -0.0870 0.0691 86 THR A N 653 C CA . THR A 88 ? 0.6038 0.7325 0.3660 -0.0031 -0.0817 0.0754 86 THR A CA 654 C C . THR A 88 ? 0.6614 0.7805 0.4203 0.0082 -0.0836 0.0934 86 THR A C 655 O O . THR A 88 ? 0.5918 0.7138 0.3705 0.0141 -0.0874 0.0997 86 THR A O 656 C CB . THR A 88 ? 0.6636 0.7762 0.4181 -0.0096 -0.0661 0.0734 86 THR A CB 657 O OG1 . THR A 88 ? 0.6591 0.7605 0.4300 -0.0083 -0.0589 0.0816 86 THR A OG1 658 C CG2 . THR A 88 ? 0.5617 0.6815 0.3184 -0.0202 -0.0638 0.0551 86 THR A CG2 659 N N . ASP A 89 ? 0.7490 0.8558 0.4823 0.0112 -0.0805 0.1016 87 ASP A N 660 C CA . ASP A 89 ? 0.7733 0.8665 0.5010 0.0210 -0.0810 0.1193 87 ASP A CA 661 C C . ASP A 89 ? 0.6384 0.7161 0.3837 0.0222 -0.0713 0.1271 87 ASP A C 662 O O . ASP A 89 ? 0.6773 0.7488 0.4291 0.0147 -0.0607 0.1217 87 ASP A O 663 C CB . ASP A 89 ? 0.9915 1.0702 0.6871 0.0215 -0.0757 0.1268 87 ASP A CB 664 C CG . ASP A 89 ? 1.0631 1.1548 0.7375 0.0215 -0.0867 0.1204 87 ASP A CG 665 O OD1 . ASP A 89 ? 1.0535 1.1656 0.7403 0.0229 -0.1007 0.1130 87 ASP A OD1 666 O OD2 . ASP A 89 ? 1.1113 1.1928 0.7567 0.0199 -0.0811 0.1226 87 ASP A OD2 667 N N . LEU A 90 ? 0.6037 0.6755 0.3575 0.0320 -0.0757 0.1393 88 LEU A N 668 C CA . LEU A 90 ? 0.5506 0.6046 0.3192 0.0342 -0.0674 0.1471 88 LEU A CA 669 C C . LEU A 90 ? 0.6738 0.7020 0.4245 0.0341 -0.0573 0.1597 88 LEU A C 670 O O . LEU A 90 ? 0.6801 0.7035 0.4107 0.0385 -0.0608 0.1683 88 LEU A O 671 C CB . LEU A 90 ? 0.6088 0.6679 0.3959 0.0453 -0.0763 0.1533 88 LEU A CB 672 C CG . LEU A 90 ? 0.5553 0.6393 0.3659 0.0458 -0.0845 0.1428 88 LEU A CG 673 C CD1 . LEU A 90 ? 0.5184 0.6058 0.3468 0.0589 -0.0913 0.1511 88 LEU A CD1 674 C CD2 . LEU A 90 ? 0.4992 0.5812 0.3229 0.0369 -0.0758 0.1339 88 LEU A CD2 675 N N . SER A 91 ? 0.6768 0.6884 0.4351 0.0286 -0.0449 0.1611 89 SER A N 676 C CA . SER A 91 ? 0.6955 0.6834 0.4397 0.0262 -0.0340 0.1721 89 SER A CA 677 C C . SER A 91 ? 0.6994 0.6700 0.4600 0.0210 -0.0231 0.1737 89 SER A C 678 O O . SER A 91 ? 0.7968 0.7746 0.5747 0.0168 -0.0219 0.1644 89 SER A O 679 C CB . SER A 91 ? 0.7292 0.7201 0.4508 0.0190 -0.0275 0.1684 89 SER A CB 680 O OG . SER A 91 ? 0.6399 0.6093 0.3482 0.0159 -0.0161 0.1795 89 SER A OG 681 N N . GLU A 92 ? 0.7286 0.6756 0.4837 0.0206 -0.0155 0.1856 90 GLU A N 682 C CA . GLU A 92 ? 0.6139 0.5432 0.3838 0.0138 -0.0049 0.1867 90 GLU A CA 683 C C . GLU A 92 ? 0.6366 0.5709 0.4046 0.0021 0.0062 0.1798 90 GLU A C 684 O O . GLU A 92 ? 0.6309 0.5603 0.4157 -0.0053 0.0133 0.1757 90 GLU A O 685 C CB . GLU A 92 ? 0.6473 0.5502 0.4115 0.0151 -0.0001 0.2009 90 GLU A CB 686 C CG . GLU A 92 ? 0.6930 0.5845 0.4680 0.0256 -0.0073 0.2072 90 GLU A CG 687 C CD . GLU A 92 ? 0.8188 0.6801 0.5954 0.0228 0.0006 0.2182 90 GLU A CD 688 O OE1 . GLU A 92 ? 0.8639 0.7146 0.6249 0.0261 0.0002 0.2306 90 GLU A OE1 689 O OE2 . GLU A 92 ? 0.8105 0.6587 0.6040 0.0167 0.0068 0.2143 90 GLU A OE2 690 N N . ASP A 93 ? 0.6308 0.5752 0.3783 0.0008 0.0073 0.1785 91 ASP A N 691 C CA . ASP A 93 ? 0.5636 0.5148 0.3076 -0.0085 0.0183 0.1717 91 ASP A CA 692 C C . ASP A 93 ? 0.6340 0.6080 0.3867 -0.0095 0.0120 0.1568 91 ASP A C 693 O O . ASP A 93 ? 0.7158 0.7044 0.4539 -0.0073 0.0063 0.1504 91 ASP A O 694 C CB . ASP A 93 ? 0.5733 0.5226 0.2885 -0.0088 0.0228 0.1768 91 ASP A CB 695 C CG . ASP A 93 ? 0.7433 0.7008 0.4536 -0.0172 0.0355 0.1691 91 ASP A CG 696 O OD1 . ASP A 93 ? 0.6720 0.6369 0.4030 -0.0231 0.0409 0.1606 91 ASP A OD1 697 O OD2 . ASP A 93 ? 0.8659 0.8221 0.5509 -0.0177 0.0403 0.1719 91 ASP A OD2 698 N N . CYS A 94 ? 0.6792 0.6551 0.4554 -0.0136 0.0126 0.1510 92 CYS A N 699 C CA . CYS A 94 ? 0.6458 0.6402 0.4320 -0.0147 0.0047 0.1381 92 CYS A CA 700 C C . CYS A 94 ? 0.5612 0.5584 0.3646 -0.0244 0.0110 0.1301 92 CYS A C 701 O O . CYS A 94 ? 0.5305 0.5369 0.3455 -0.0252 0.0053 0.1170 92 CYS A O 702 C CB . CYS A 94 ? 0.5888 0.5843 0.3859 -0.0070 -0.0070 0.1393 92 CYS A CB 703 S SG . CYS A 94 ? 0.6240 0.5985 0.4418 -0.0072 -0.0037 0.1460 92 CYS A SG 704 N N . LEU A 95 ? 0.5860 0.5727 0.3954 -0.0309 0.0227 0.1343 93 LEU A N 705 C CA . LEU A 95 ? 0.5472 0.5343 0.3790 -0.0382 0.0277 0.1231 93 LEU A CA 706 C C . LEU A 95 ? 0.5800 0.5811 0.4080 -0.0424 0.0336 0.1126 93 LEU A C 707 O O . LEU A 95 ? 0.5477 0.5490 0.3751 -0.0475 0.0456 0.1149 93 LEU A O 708 C CB . LEU A 95 ? 0.5727 0.5444 0.4181 -0.0439 0.0362 0.1308 93 LEU A CB 709 C CG . LEU A 95 ? 0.6032 0.5583 0.4557 -0.0397 0.0297 0.1369 93 LEU A CG 710 C CD1 . LEU A 95 ? 0.5286 0.4674 0.3977 -0.0469 0.0363 0.1407 93 LEU A CD1 711 C CD2 . LEU A 95 ? 0.5337 0.4945 0.3966 -0.0355 0.0187 0.1252 93 LEU A CD2 712 N N . TYR A 96 ? 0.5370 0.5494 0.3637 -0.0403 0.0259 0.1007 94 TYR A N 713 C CA . TYR A 96 ? 0.4878 0.5112 0.3097 -0.0432 0.0306 0.0891 94 TYR A CA 714 C C . TYR A 96 ? 0.5468 0.5741 0.3869 -0.0442 0.0253 0.0751 94 TYR A C 715 O O . TYR A 96 ? 0.5797 0.6045 0.4294 -0.0417 0.0162 0.0742 94 TYR A O 716 C CB . TYR A 96 ? 0.4607 0.4932 0.2546 -0.0402 0.0272 0.0889 94 TYR A CB 717 C CG . TYR A 96 ? 0.5539 0.5818 0.3256 -0.0387 0.0333 0.1041 94 TYR A CG 718 C CD1 . TYR A 96 ? 0.6151 0.6333 0.3829 -0.0319 0.0264 0.1158 94 TYR A CD1 719 C CD2 . TYR A 96 ? 0.4915 0.5197 0.2516 -0.0413 0.0466 0.1036 94 TYR A CD2 720 C CE1 . TYR A 96 ? 0.5349 0.5422 0.2859 -0.0286 0.0320 0.1272 94 TYR A CE1 721 C CE2 . TYR A 96 ? 0.5681 0.5864 0.3115 -0.0380 0.0528 0.1151 94 TYR A CE2 722 C CZ . TYR A 96 ? 0.5608 0.5676 0.2988 -0.0321 0.0452 0.1271 94 TYR A CZ 723 O OH . TYR A 96 ? 0.5984 0.5921 0.3174 -0.0298 0.0515 0.1389 94 TYR A OH 724 N N . LEU A 97 ? 0.4967 0.5292 0.3415 -0.0472 0.0319 0.0647 95 LEU A N 725 C CA . LEU A 97 ? 0.4565 0.4910 0.3156 -0.0476 0.0273 0.0523 95 LEU A CA 726 C C . LEU A 97 ? 0.5500 0.5915 0.3979 -0.0484 0.0295 0.0400 95 LEU A C 727 O O . LEU A 97 ? 0.5057 0.5511 0.3352 -0.0489 0.0362 0.0398 95 LEU A O 728 C CB . LEU A 97 ? 0.4150 0.4452 0.2985 -0.0496 0.0312 0.0508 95 LEU A CB 729 C CG . LEU A 97 ? 0.4802 0.5132 0.3711 -0.0523 0.0438 0.0515 95 LEU A CG 730 C CD1 . LEU A 97 ? 0.4032 0.4425 0.2924 -0.0518 0.0502 0.0397 95 LEU A CD1 731 C CD2 . LEU A 97 ? 0.3981 0.4278 0.3141 -0.0545 0.0440 0.0540 95 LEU A CD2 732 N N . ASN A 98 ? 0.4972 0.5385 0.3550 -0.0488 0.0242 0.0297 96 ASN A N 733 C CA . ASN A 98 ? 0.4164 0.4610 0.2662 -0.0503 0.0255 0.0163 96 ASN A CA 734 C C . ASN A 98 ? 0.4611 0.5007 0.3290 -0.0506 0.0307 0.0078 96 ASN A C 735 O O . ASN A 98 ? 0.5258 0.5606 0.4118 -0.0498 0.0272 0.0100 96 ASN A O 736 C CB . ASN A 98 ? 0.4190 0.4675 0.2639 -0.0511 0.0142 0.0115 96 ASN A CB 737 C CG . ASN A 98 ? 0.4910 0.5457 0.3227 -0.0489 0.0066 0.0212 96 ASN A CG 738 O OD1 . ASN A 98 ? 0.4580 0.5174 0.2686 -0.0483 0.0081 0.0241 96 ASN A OD1 739 N ND2 . ASN A 98 ? 0.4019 0.4565 0.2448 -0.0469 -0.0016 0.0267 96 ASN A ND2 740 N N . VAL A 99 ? 0.4467 0.4866 0.3086 -0.0510 0.0390 -0.0020 97 VAL A N 741 C CA . VAL A 99 ? 0.5216 0.5560 0.4009 -0.0497 0.0444 -0.0098 97 VAL A CA 742 C C . VAL A 99 ? 0.5297 0.5600 0.4005 -0.0511 0.0452 -0.0246 97 VAL A C 743 O O . VAL A 99 ? 0.6070 0.6400 0.4581 -0.0525 0.0498 -0.0316 97 VAL A O 744 C CB . VAL A 99 ? 0.4574 0.4948 0.3452 -0.0474 0.0574 -0.0078 97 VAL A CB 745 C CG1 . VAL A 99 ? 0.3161 0.3491 0.2265 -0.0441 0.0611 -0.0137 97 VAL A CG1 746 C CG2 . VAL A 99 ? 0.4390 0.4804 0.3333 -0.0481 0.0577 0.0062 97 VAL A CG2 747 N N . TRP A 100 ? 0.4434 0.4657 0.3275 -0.0513 0.0411 -0.0297 98 TRP A N 748 C CA . TRP A 100 ? 0.4491 0.4638 0.3283 -0.0534 0.0432 -0.0441 98 TRP A CA 749 C C . TRP A 100 ? 0.5061 0.5108 0.4028 -0.0488 0.0510 -0.0482 98 TRP A C 750 O O . TRP A 100 ? 0.4688 0.4696 0.3837 -0.0460 0.0478 -0.0413 98 TRP A O 751 C CB . TRP A 100 ? 0.3693 0.3812 0.2489 -0.0583 0.0328 -0.0472 98 TRP A CB 752 C CG . TRP A 100 ? 0.5610 0.5843 0.4247 -0.0624 0.0239 -0.0461 98 TRP A CG 753 C CD1 . TRP A 100 ? 0.5384 0.5660 0.3839 -0.0671 0.0215 -0.0568 98 TRP A CD1 754 C CD2 . TRP A 100 ? 0.6042 0.6362 0.4696 -0.0617 0.0154 -0.0338 98 TRP A CD2 755 N NE1 . TRP A 100 ? 0.5882 0.6287 0.4250 -0.0688 0.0111 -0.0510 98 TRP A NE1 756 C CE2 . TRP A 100 ? 0.5929 0.6358 0.4422 -0.0650 0.0078 -0.0367 98 TRP A CE2 757 C CE3 . TRP A 100 ? 0.5191 0.5504 0.3975 -0.0582 0.0132 -0.0214 98 TRP A CE3 758 C CZ2 . TRP A 100 ? 0.4853 0.5385 0.3333 -0.0636 -0.0013 -0.0264 98 TRP A CZ2 759 C CZ3 . TRP A 100 ? 0.4871 0.5265 0.3628 -0.0575 0.0052 -0.0124 98 TRP A CZ3 760 C CH2 . TRP A 100 ? 0.4905 0.5408 0.3519 -0.0596 -0.0017 -0.0145 98 TRP A CH2 761 N N . ILE A 101 ? 0.5030 0.5033 0.3937 -0.0473 0.0611 -0.0595 99 ILE A N 762 C CA . ILE A 101 ? 0.6150 0.6065 0.5234 -0.0409 0.0697 -0.0634 99 ILE A CA 763 C C . ILE A 101 ? 0.6173 0.5930 0.5212 -0.0420 0.0731 -0.0786 99 ILE A C 764 O O . ILE A 101 ? 0.6095 0.5842 0.4930 -0.0471 0.0743 -0.0898 99 ILE A O 765 C CB . ILE A 101 ? 0.6970 0.6973 0.6077 -0.0358 0.0824 -0.0627 99 ILE A CB 766 C CG1 . ILE A 101 ? 0.6879 0.7019 0.6046 -0.0361 0.0797 -0.0477 99 ILE A CG1 767 C CG2 . ILE A 101 ? 0.7221 0.7159 0.6544 -0.0277 0.0911 -0.0664 99 ILE A CG2 768 C CD1 . ILE A 101 ? 0.8098 0.8328 0.7032 -0.0400 0.0825 -0.0459 99 ILE A CD1 769 N N . PRO A 102 ? 0.7273 0.6895 0.6494 -0.0376 0.0740 -0.0789 100 PRO A N 770 C CA . PRO A 102 ? 0.7628 0.7062 0.6813 -0.0386 0.0788 -0.0935 100 PRO A CA 771 C C . PRO A 102 ? 0.6637 0.6053 0.5747 -0.0343 0.0926 -0.1058 100 PRO A C 772 O O . PRO A 102 ? 0.5955 0.5486 0.5129 -0.0277 0.1004 -0.1010 100 PRO A O 773 C CB . PRO A 102 ? 0.7630 0.6924 0.7036 -0.0323 0.0780 -0.0876 100 PRO A CB 774 C CG . PRO A 102 ? 0.7356 0.6793 0.6916 -0.0261 0.0752 -0.0725 100 PRO A CG 775 C CD . PRO A 102 ? 0.7688 0.7301 0.7124 -0.0325 0.0691 -0.0664 100 PRO A CD 776 N N . ALA A 103 ? 0.6141 0.5415 0.5110 -0.0388 0.0960 -0.1223 101 ALA A N 777 C CA . ALA A 103 ? 0.6809 0.6012 0.5704 -0.0338 0.1105 -0.1367 101 ALA A CA 778 C C . ALA A 103 ? 0.8271 0.7208 0.7275 -0.0308 0.1153 -0.1468 101 ALA A C 779 O O . ALA A 103 ? 0.7371 0.6173 0.6363 -0.0385 0.1075 -0.1501 101 ALA A O 780 C CB . ALA A 103 ? 0.6261 0.5519 0.4841 -0.0416 0.1114 -0.1494 101 ALA A CB 781 N N . PRO A 104 ? 0.8583 0.7446 0.7717 -0.0191 0.1287 -0.1507 102 PRO A N 782 C CA . PRO A 104 ? 0.7971 0.7017 0.7165 -0.0102 0.1392 -0.1462 102 PRO A CA 783 C C . PRO A 104 ? 0.7336 0.6568 0.6757 -0.0056 0.1325 -0.1254 102 PRO A C 784 O O . PRO A 104 ? 0.7421 0.6604 0.6971 -0.0063 0.1214 -0.1152 102 PRO A O 785 C CB . PRO A 104 ? 0.7751 0.6632 0.7072 0.0016 0.1545 -0.1572 102 PRO A CB 786 C CG . PRO A 104 ? 0.7775 0.6403 0.7213 0.0020 0.1484 -0.1575 102 PRO A CG 787 C CD . PRO A 104 ? 0.7996 0.6580 0.7238 -0.0136 0.1356 -0.1603 102 PRO A CD 788 N N . LYS A 105 ? 0.6724 0.6163 0.6182 -0.0018 0.1400 -0.1200 103 LYS A N 789 C CA . LYS A 105 ? 0.7443 0.7079 0.7081 -0.0004 0.1336 -0.1020 103 LYS A CA 790 C C . LYS A 105 ? 0.7063 0.6665 0.7017 0.0089 0.1294 -0.0930 103 LYS A C 791 O O . LYS A 105 ? 0.7343 0.6887 0.7468 0.0196 0.1392 -0.0979 103 LYS A O 792 C CB . LYS A 105 ? 0.7313 0.7154 0.6957 0.0021 0.1461 -0.0999 103 LYS A CB 793 C CG . LYS A 105 ? 0.7240 0.7287 0.7026 0.0001 0.1400 -0.0827 103 LYS A CG 794 C CD . LYS A 105 ? 0.7467 0.7699 0.7369 0.0047 0.1557 -0.0809 103 LYS A CD 795 C CE . LYS A 105 ? 0.7087 0.7504 0.7008 -0.0018 0.1519 -0.0663 103 LYS A CE 796 N NZ . LYS A 105 ? 0.7387 0.7973 0.7354 -0.0001 0.1699 -0.0656 103 LYS A NZ 797 N N . PRO A 106 ? 0.6485 0.6121 0.6509 0.0054 0.1147 -0.0797 104 PRO A N 798 C CA . PRO A 106 ? 0.5741 0.5371 0.6033 0.0137 0.1083 -0.0693 104 PRO A CA 799 C C . PRO A 106 ? 0.6223 0.6081 0.6761 0.0207 0.1132 -0.0621 104 PRO A C 800 O O . PRO A 106 ? 0.7016 0.7037 0.7502 0.0168 0.1203 -0.0624 104 PRO A O 801 C CB . PRO A 106 ? 0.5811 0.5440 0.6037 0.0059 0.0923 -0.0587 104 PRO A CB 802 C CG . PRO A 106 ? 0.6642 0.6369 0.6650 -0.0046 0.0911 -0.0598 104 PRO A CG 803 C CD . PRO A 106 ? 0.6477 0.6143 0.6311 -0.0060 0.1029 -0.0748 104 PRO A CD 804 N N . LYS A 107 ? 0.5951 0.5826 0.6758 0.0308 0.1095 -0.0553 105 LYS A N 805 C CA . LYS A 107 ? 0.6435 0.6548 0.7529 0.0377 0.1135 -0.0493 105 LYS A CA 806 C C . LYS A 107 ? 0.6688 0.6938 0.7883 0.0333 0.0981 -0.0354 105 LYS A C 807 O O . LYS A 107 ? 0.6631 0.7111 0.8007 0.0325 0.0993 -0.0299 105 LYS A O 808 C CB . LYS A 107 ? 0.6624 0.6700 0.7985 0.0534 0.1190 -0.0512 105 LYS A CB 809 C CG . LYS A 107 ? 0.7893 0.7675 0.9125 0.0583 0.1259 -0.0627 105 LYS A CG 810 C CD . LYS A 107 ? 0.8800 0.8575 0.9982 0.0617 0.1459 -0.0775 105 LYS A CD 811 C CE . LYS A 107 ? 0.8791 0.8651 1.0309 0.0786 0.1565 -0.0785 105 LYS A CE 812 N NZ . LYS A 107 ? 0.9150 0.9063 1.0633 0.0818 0.1779 -0.0922 105 LYS A NZ 813 N N . ASN A 108 ? 0.6515 0.6619 0.7592 0.0298 0.0844 -0.0304 106 ASN A N 814 C CA . ASN A 108 ? 0.5973 0.6172 0.7122 0.0266 0.0693 -0.0186 106 ASN A CA 815 C C . ASN A 108 ? 0.5381 0.5406 0.6295 0.0194 0.0584 -0.0158 106 ASN A C 816 O O . ASN A 108 ? 0.5394 0.5344 0.6341 0.0228 0.0474 -0.0089 106 ASN A O 817 C CB . ASN A 108 ? 0.6062 0.6323 0.7497 0.0385 0.0634 -0.0124 106 ASN A CB 818 C CG . ASN A 108 ? 0.6994 0.7483 0.8615 0.0362 0.0533 -0.0034 106 ASN A CG 819 O OD1 . ASN A 108 ? 0.6136 0.6742 0.7703 0.0259 0.0537 -0.0021 106 ASN A OD1 820 N ND2 . ASN A 108 ? 0.9044 0.9593 1.0886 0.0458 0.0437 0.0030 106 ASN A ND2 821 N N . ALA A 109 ? 0.5058 0.5029 0.5732 0.0100 0.0614 -0.0209 107 ALA A N 822 C CA . ALA A 109 ? 0.4720 0.4538 0.5195 0.0035 0.0531 -0.0197 107 ALA A CA 823 C C . ALA A 109 ? 0.4119 0.4005 0.4574 -0.0015 0.0406 -0.0097 107 ALA A C 824 O O . ALA A 109 ? 0.4101 0.4150 0.4629 -0.0039 0.0391 -0.0053 107 ALA A O 825 C CB . ALA A 109 ? 0.4073 0.3831 0.4317 -0.0047 0.0590 -0.0291 107 ALA A CB 826 N N . THR A 110 ? 0.3007 0.2755 0.3363 -0.0031 0.0328 -0.0064 108 THR A N 827 C CA . THR A 110 ? 0.3787 0.3564 0.4078 -0.0079 0.0223 0.0013 108 THR A CA 828 C C . THR A 110 ? 0.3738 0.3557 0.3866 -0.0170 0.0236 -0.0013 108 THR A C 829 O O . THR A 110 ? 0.4465 0.4221 0.4473 -0.0206 0.0288 -0.0084 108 THR A O 830 C CB . THR A 110 ? 0.4618 0.4230 0.4837 -0.0064 0.0156 0.0056 108 THR A CB 831 O OG1 . THR A 110 ? 0.4364 0.3975 0.4721 0.0024 0.0100 0.0120 108 THR A OG1 832 C CG2 . THR A 110 ? 0.5192 0.4805 0.5272 -0.0133 0.0084 0.0100 108 THR A CG2 833 N N . VAL A 111 ? 0.3253 0.3175 0.3379 -0.0206 0.0186 0.0042 109 VAL A N 834 C CA . VAL A 111 ? 0.3511 0.3479 0.3498 -0.0275 0.0195 0.0036 109 VAL A CA 835 C C . VAL A 111 ? 0.4208 0.4122 0.4089 -0.0310 0.0113 0.0079 109 VAL A C 836 O O . VAL A 111 ? 0.5017 0.4921 0.4942 -0.0297 0.0043 0.0134 109 VAL A O 837 C CB . VAL A 111 ? 0.3806 0.3912 0.3867 -0.0292 0.0220 0.0071 109 VAL A CB 838 C CG1 . VAL A 111 ? 0.3965 0.4101 0.3864 -0.0349 0.0240 0.0076 109 VAL A CG1 839 C CG2 . VAL A 111 ? 0.3188 0.3371 0.3393 -0.0249 0.0312 0.0036 109 VAL A CG2 840 N N . LEU A 112 ? 0.4063 0.3953 0.3806 -0.0354 0.0122 0.0047 110 LEU A N 841 C CA . LEU A 112 ? 0.4270 0.4145 0.3927 -0.0384 0.0061 0.0085 110 LEU A CA 842 C C . LEU A 112 ? 0.4282 0.4246 0.3867 -0.0415 0.0060 0.0107 110 LEU A C 843 O O . LEU A 112 ? 0.4477 0.4490 0.3991 -0.0434 0.0102 0.0067 110 LEU A O 844 C CB . LEU A 112 ? 0.3766 0.3567 0.3351 -0.0410 0.0062 0.0044 110 LEU A CB 845 C CG . LEU A 112 ? 0.4839 0.4514 0.4458 -0.0386 0.0050 0.0059 110 LEU A CG 846 C CD1 . LEU A 112 ? 0.5983 0.5604 0.5692 -0.0338 0.0092 0.0033 110 LEU A CD1 847 C CD2 . LEU A 112 ? 0.4924 0.4543 0.4482 -0.0435 0.0064 0.0022 110 LEU A CD2 848 N N . ILE A 113 ? 0.4437 0.4409 0.4029 -0.0415 0.0013 0.0169 111 ILE A N 849 C CA . ILE A 113 ? 0.4444 0.4467 0.3969 -0.0434 0.0009 0.0208 111 ILE A CA 850 C C . ILE A 113 ? 0.3576 0.3579 0.3024 -0.0437 -0.0038 0.0226 111 ILE A C 851 O O . ILE A 113 ? 0.3716 0.3660 0.3179 -0.0425 -0.0077 0.0248 111 ILE A O 852 C CB . ILE A 113 ? 0.4317 0.4352 0.3921 -0.0437 0.0003 0.0262 111 ILE A CB 853 C CG1 . ILE A 113 ? 0.3914 0.4001 0.3644 -0.0430 0.0053 0.0243 111 ILE A CG1 854 C CG2 . ILE A 113 ? 0.2852 0.2909 0.2382 -0.0454 0.0014 0.0315 111 ILE A CG2 855 C CD1 . ILE A 113 ? 0.4418 0.4551 0.4250 -0.0452 0.0065 0.0291 111 ILE A CD1 856 N N . TRP A 114 ? 0.3312 0.3374 0.2676 -0.0449 -0.0035 0.0215 112 TRP A N 857 C CA . TRP A 114 ? 0.3457 0.3535 0.2784 -0.0445 -0.0077 0.0229 112 TRP A CA 858 C C . TRP A 114 ? 0.3425 0.3510 0.2719 -0.0421 -0.0099 0.0300 112 TRP A C 859 O O . TRP A 114 ? 0.4055 0.4174 0.3301 -0.0422 -0.0083 0.0334 112 TRP A O 860 C CB . TRP A 114 ? 0.3217 0.3376 0.2492 -0.0470 -0.0081 0.0175 112 TRP A CB 861 C CG . TRP A 114 ? 0.4135 0.4358 0.3407 -0.0462 -0.0125 0.0193 112 TRP A CG 862 C CD1 . TRP A 114 ? 0.3977 0.4303 0.3198 -0.0447 -0.0161 0.0223 112 TRP A CD1 863 C CD2 . TRP A 114 ? 0.3936 0.4137 0.3270 -0.0463 -0.0133 0.0186 112 TRP A CD2 864 N NE1 . TRP A 114 ? 0.4638 0.5024 0.3914 -0.0434 -0.0194 0.0229 112 TRP A NE1 865 C CE2 . TRP A 114 ? 0.3363 0.3672 0.2707 -0.0448 -0.0168 0.0205 112 TRP A CE2 866 C CE3 . TRP A 114 ? 0.3003 0.3105 0.2378 -0.0471 -0.0110 0.0173 112 TRP A CE3 867 C CZ2 . TRP A 114 ? 0.2921 0.3255 0.2335 -0.0444 -0.0167 0.0204 112 TRP A CZ2 868 C CZ3 . TRP A 114 ? 0.3512 0.3619 0.2922 -0.0471 -0.0107 0.0177 112 TRP A CZ3 869 C CH2 . TRP A 114 ? 0.2639 0.2866 0.2078 -0.0461 -0.0129 0.0188 112 TRP A CH2 870 N N . ILE A 115 ? 0.3694 0.3735 0.3006 -0.0398 -0.0128 0.0325 113 ILE A N 871 C CA . ILE A 115 ? 0.3716 0.3739 0.3002 -0.0365 -0.0146 0.0389 113 ILE A CA 872 C C . ILE A 115 ? 0.3307 0.3392 0.2591 -0.0334 -0.0171 0.0391 113 ILE A C 873 O O . ILE A 115 ? 0.4247 0.4302 0.3565 -0.0325 -0.0171 0.0369 113 ILE A O 874 C CB . ILE A 115 ? 0.3783 0.3684 0.3100 -0.0358 -0.0151 0.0410 113 ILE A CB 875 C CG1 . ILE A 115 ? 0.3719 0.3601 0.3086 -0.0394 -0.0132 0.0402 113 ILE A CG1 876 C CG2 . ILE A 115 ? 0.3000 0.2846 0.2291 -0.0324 -0.0160 0.0472 113 ILE A CG2 877 C CD1 . ILE A 115 ? 0.3202 0.2986 0.2616 -0.0403 -0.0151 0.0417 113 ILE A CD1 878 N N . TYR A 116 ? 0.3636 0.3819 0.2880 -0.0316 -0.0192 0.0420 114 TYR A N 879 C CA . TYR A 116 ? 0.3696 0.3982 0.2974 -0.0281 -0.0225 0.0424 114 TYR A CA 880 C C . TYR A 116 ? 0.4040 0.4256 0.3355 -0.0219 -0.0225 0.0467 114 TYR A C 881 O O . TYR A 116 ? 0.4687 0.4766 0.3975 -0.0202 -0.0211 0.0505 114 TYR A O 882 C CB . TYR A 116 ? 0.3872 0.4293 0.3092 -0.0266 -0.0267 0.0453 114 TYR A CB 883 C CG . TYR A 116 ? 0.4289 0.4654 0.3419 -0.0226 -0.0269 0.0546 114 TYR A CG 884 C CD1 . TYR A 116 ? 0.5184 0.5495 0.4330 -0.0152 -0.0283 0.0626 114 TYR A CD1 885 C CD2 . TYR A 116 ? 0.5324 0.5681 0.4352 -0.0261 -0.0245 0.0556 114 TYR A CD2 886 C CE1 . TYR A 116 ? 0.4665 0.4897 0.3725 -0.0119 -0.0277 0.0723 114 TYR A CE1 887 C CE2 . TYR A 116 ? 0.5879 0.6177 0.4818 -0.0233 -0.0232 0.0653 114 TYR A CE2 888 C CZ . TYR A 116 ? 0.5666 0.5893 0.4619 -0.0165 -0.0250 0.0741 114 TYR A CZ 889 O OH . TYR A 116 ? 0.4487 0.4629 0.3347 -0.0141 -0.0228 0.0849 114 TYR A OH 890 N N . GLY A 117 ? 0.3854 0.4166 0.3239 -0.0188 -0.0236 0.0455 115 GLY A N 891 C CA . GLY A 117 ? 0.3418 0.3685 0.2843 -0.0110 -0.0228 0.0492 115 GLY A CA 892 C C . GLY A 117 ? 0.4681 0.5078 0.4139 -0.0039 -0.0273 0.0552 115 GLY A C 893 O O . GLY A 117 ? 0.4325 0.4814 0.3731 -0.0050 -0.0317 0.0579 115 GLY A O 894 N N . GLY A 118 ? 0.4598 0.5006 0.4135 0.0041 -0.0262 0.0572 116 GLY A N 895 C CA . GLY A 118 ? 0.4189 0.4697 0.3772 0.0137 -0.0307 0.0644 116 GLY A CA 896 C C . GLY A 118 ? 0.3793 0.4118 0.3371 0.0231 -0.0273 0.0696 116 GLY A C 897 O O . GLY A 118 ? 0.4243 0.4546 0.3806 0.0313 -0.0304 0.0783 116 GLY A O 898 N N . GLY A 119 ? 0.4411 0.4591 0.3988 0.0221 -0.0210 0.0640 117 GLY A N 899 C CA . GLY A 119 ? 0.3878 0.3870 0.3449 0.0303 -0.0168 0.0656 117 GLY A CA 900 C C . GLY A 119 ? 0.4897 0.4681 0.4375 0.0317 -0.0178 0.0724 117 GLY A C 901 O O . GLY A 119 ? 0.5671 0.5325 0.5162 0.0410 -0.0160 0.0768 117 GLY A O 902 N N . PHE A 120 ? 0.5045 0.4796 0.4440 0.0225 -0.0197 0.0734 118 PHE A N 903 C CA . PHE A 120 ? 0.4751 0.4318 0.4068 0.0214 -0.0194 0.0804 118 PHE A CA 904 C C . PHE A 120 ? 0.5330 0.4916 0.4634 0.0304 -0.0223 0.0925 118 PHE A C 905 O O . PHE A 120 ? 0.5814 0.5233 0.5050 0.0301 -0.0209 0.1002 118 PHE A O 906 C CB . PHE A 120 ? 0.3810 0.3117 0.3106 0.0206 -0.0151 0.0765 118 PHE A CB 907 C CG . PHE A 120 ? 0.5159 0.4440 0.4437 0.0117 -0.0139 0.0659 118 PHE A CG 908 C CD1 . PHE A 120 ? 0.4492 0.3775 0.3742 0.0013 -0.0151 0.0644 118 PHE A CD1 909 C CD2 . PHE A 120 ? 0.3863 0.3119 0.3148 0.0146 -0.0113 0.0580 118 PHE A CD2 910 C CE1 . PHE A 120 ? 0.4036 0.3299 0.3273 -0.0053 -0.0153 0.0559 118 PHE A CE1 911 C CE2 . PHE A 120 ? 0.4006 0.3230 0.3246 0.0073 -0.0109 0.0498 118 PHE A CE2 912 C CZ . PHE A 120 ? 0.4284 0.3512 0.3504 -0.0023 -0.0137 0.0491 118 PHE A CZ 913 N N . GLN A 121 ? 0.4801 0.4595 0.4175 0.0383 -0.0264 0.0947 119 GLN A N 914 C CA . GLN A 121 ? 0.4667 0.4517 0.4028 0.0484 -0.0313 0.1070 119 GLN A CA 915 C C . GLN A 121 ? 0.5913 0.6003 0.5220 0.0447 -0.0383 0.1094 119 GLN A C 916 O O . GLN A 121 ? 0.6576 0.6694 0.5804 0.0504 -0.0429 0.1205 119 GLN A O 917 C CB . GLN A 121 ? 0.4018 0.3956 0.3519 0.0622 -0.0324 0.1085 119 GLN A CB 918 C CG . GLN A 121 ? 0.5300 0.5047 0.4860 0.0662 -0.0247 0.1022 119 GLN A CG 919 C CD . GLN A 121 ? 0.6915 0.6319 0.6377 0.0654 -0.0200 0.1058 119 GLN A CD 920 O OE1 . GLN A 121 ? 0.7144 0.6415 0.6578 0.0740 -0.0207 0.1171 119 GLN A OE1 921 N NE2 . GLN A 121 ? 0.5515 0.4771 0.4925 0.0549 -0.0156 0.0964 119 GLN A NE2 922 N N . THR A 122 ? 0.5433 0.5685 0.4770 0.0355 -0.0391 0.0989 120 THR A N 923 C CA . THR A 122 ? 0.5017 0.5509 0.4319 0.0319 -0.0461 0.0981 120 THR A CA 924 C C . THR A 122 ? 0.5773 0.6277 0.5025 0.0184 -0.0433 0.0880 120 THR A C 925 O O . THR A 122 ? 0.4593 0.4939 0.3851 0.0130 -0.0368 0.0831 120 THR A O 926 C CB . THR A 122 ? 0.4189 0.4949 0.3654 0.0368 -0.0520 0.0944 120 THR A CB 927 O OG1 . THR A 122 ? 0.4581 0.5356 0.4168 0.0316 -0.0464 0.0835 120 THR A OG1 928 C CG2 . THR A 122 ? 0.3803 0.4588 0.3357 0.0523 -0.0552 0.1042 120 THR A CG2 929 N N . GLY A 123 ? 0.5830 0.6521 0.5034 0.0135 -0.0486 0.0846 121 GLY A N 930 C CA . GLY A 123 ? 0.4735 0.5443 0.3899 0.0019 -0.0459 0.0746 121 GLY A CA 931 C C . GLY A 123 ? 0.5369 0.6048 0.4352 -0.0027 -0.0453 0.0769 121 GLY A C 932 O O . GLY A 123 ? 0.5717 0.6314 0.4587 0.0019 -0.0450 0.0877 121 GLY A O 933 N N . THR A 124 ? 0.4807 0.5541 0.3759 -0.0117 -0.0439 0.0669 122 THR A N 934 C CA . THR A 124 ? 0.5224 0.5944 0.4006 -0.0164 -0.0416 0.0665 122 THR A CA 935 C C . THR A 124 ? 0.5644 0.6375 0.4453 -0.0256 -0.0378 0.0532 122 THR A C 936 O O . THR A 124 ? 0.5378 0.6185 0.4303 -0.0286 -0.0401 0.0449 122 THR A O 937 C CB . THR A 124 ? 0.4858 0.5731 0.3485 -0.0131 -0.0498 0.0710 122 THR A CB 938 O OG1 . THR A 124 ? 0.6152 0.6973 0.4580 -0.0164 -0.0450 0.0727 122 THR A OG1 939 C CG2 . THR A 124 ? 0.4054 0.5141 0.2732 -0.0168 -0.0580 0.0602 122 THR A CG2 940 N N . SER A 125 ? 0.5489 0.6140 0.4203 -0.0298 -0.0311 0.0516 123 SER A N 941 C CA . SER A 125 ? 0.5067 0.5697 0.3817 -0.0369 -0.0263 0.0399 123 SER A CA 942 C C . SER A 125 ? 0.5326 0.6081 0.3983 -0.0413 -0.0299 0.0300 123 SER A C 943 O O . SER A 125 ? 0.5304 0.6032 0.3984 -0.0469 -0.0261 0.0193 123 SER A O 944 C CB . SER A 125 ? 0.4364 0.4878 0.3077 -0.0387 -0.0171 0.0417 123 SER A CB 945 O OG . SER A 125 ? 0.5520 0.6069 0.4049 -0.0383 -0.0151 0.0457 123 SER A OG 946 N N . SER A 126 ? 0.5328 0.6212 0.3875 -0.0386 -0.0378 0.0334 124 SER A N 947 C CA . SER A 126 ? 0.5566 0.6571 0.3980 -0.0432 -0.0424 0.0238 124 SER A CA 948 C C . SER A 126 ? 0.5481 0.6646 0.4011 -0.0462 -0.0522 0.0159 124 SER A C 949 O O . SER A 126 ? 0.5125 0.6414 0.3555 -0.0505 -0.0587 0.0074 124 SER A O 950 C CB . SER A 126 ? 0.4417 0.5474 0.2587 -0.0391 -0.0453 0.0320 124 SER A CB 951 O OG . SER A 126 ? 0.5610 0.6716 0.3798 -0.0309 -0.0523 0.0455 124 SER A OG 952 N N . LEU A 127 ? 0.4847 0.6016 0.3588 -0.0446 -0.0529 0.0180 125 LEU A N 953 C CA . LEU A 127 ? 0.4887 0.6216 0.3784 -0.0485 -0.0600 0.0108 125 LEU A CA 954 C C . LEU A 127 ? 0.5003 0.6295 0.3923 -0.0591 -0.0565 -0.0043 125 LEU A C 955 O O . LEU A 127 ? 0.4486 0.5601 0.3383 -0.0614 -0.0470 -0.0074 125 LEU A O 956 C CB . LEU A 127 ? 0.4832 0.6147 0.3942 -0.0444 -0.0581 0.0162 125 LEU A CB 957 C CG . LEU A 127 ? 0.3891 0.5235 0.3023 -0.0332 -0.0615 0.0298 125 LEU A CG 958 C CD1 . LEU A 127 ? 0.3799 0.5117 0.3133 -0.0304 -0.0576 0.0315 125 LEU A CD1 959 C CD2 . LEU A 127 ? 0.4577 0.6148 0.3680 -0.0291 -0.0737 0.0328 125 LEU A CD2 960 N N . HIS A 128 ? 0.5322 0.6782 0.4305 -0.0655 -0.0644 -0.0137 126 HIS A N 961 C CA . HIS A 128 ? 0.5337 0.6751 0.4346 -0.0768 -0.0616 -0.0290 126 HIS A CA 962 C C . HIS A 128 ? 0.5392 0.6642 0.4570 -0.0797 -0.0516 -0.0302 126 HIS A C 963 O O . HIS A 128 ? 0.5880 0.6969 0.5025 -0.0847 -0.0442 -0.0381 126 HIS A O 964 C CB . HIS A 128 ? 0.4700 0.6341 0.3776 -0.0844 -0.0731 -0.0389 126 HIS A CB 965 C CG . HIS A 128 ? 0.6449 0.8025 0.5551 -0.0972 -0.0703 -0.0558 126 HIS A CG 966 N ND1 . HIS A 128 ? 0.7689 0.9074 0.6620 -0.1003 -0.0628 -0.0643 126 HIS A ND1 967 C CD2 . HIS A 128 ? 0.6448 0.8113 0.5738 -0.1079 -0.0733 -0.0660 126 HIS A CD2 968 C CE1 . HIS A 128 ? 0.7517 0.8855 0.6518 -0.1117 -0.0615 -0.0790 126 HIS A CE1 969 N NE2 . HIS A 128 ? 0.7029 0.8533 0.6248 -0.1174 -0.0678 -0.0803 126 HIS A NE2 970 N N . VAL A 129 ? 0.4323 0.5606 0.3667 -0.0755 -0.0509 -0.0219 127 VAL A N 971 C CA . VAL A 129 ? 0.2941 0.4071 0.2413 -0.0774 -0.0417 -0.0215 127 VAL A CA 972 C C . VAL A 129 ? 0.3287 0.4193 0.2673 -0.0724 -0.0333 -0.0161 127 VAL A C 973 O O . VAL A 129 ? 0.4625 0.5395 0.4084 -0.0732 -0.0266 -0.0153 127 VAL A O 974 C CB . VAL A 129 ? 0.3795 0.5024 0.3451 -0.0743 -0.0420 -0.0149 127 VAL A CB 975 C CG1 . VAL A 129 ? 0.2353 0.3814 0.2165 -0.0815 -0.0486 -0.0218 127 VAL A CG1 976 C CG2 . VAL A 129 ? 0.3845 0.5108 0.3461 -0.0623 -0.0447 -0.0026 127 VAL A CG2 977 N N . TYR A 130 ? 0.4048 0.4925 0.3282 -0.0674 -0.0337 -0.0121 128 TYR A N 978 C CA . TYR A 130 ? 0.3958 0.4653 0.3135 -0.0640 -0.0261 -0.0085 128 TYR A CA 979 C C . TYR A 130 ? 0.3309 0.3947 0.2359 -0.0669 -0.0224 -0.0162 128 TYR A C 980 O O . TYR A 130 ? 0.3821 0.4369 0.2814 -0.0633 -0.0170 -0.0125 128 TYR A O 981 C CB . TYR A 130 ? 0.3974 0.4655 0.3103 -0.0558 -0.0265 0.0035 128 TYR A CB 982 C CG . TYR A 130 ? 0.4197 0.4935 0.3418 -0.0507 -0.0301 0.0114 128 TYR A CG 983 C CD1 . TYR A 130 ? 0.4437 0.5185 0.3797 -0.0524 -0.0292 0.0095 128 TYR A CD1 984 C CD2 . TYR A 130 ? 0.4097 0.4866 0.3261 -0.0437 -0.0333 0.0211 128 TYR A CD2 985 C CE1 . TYR A 130 ? 0.4225 0.5025 0.3666 -0.0468 -0.0309 0.0160 128 TYR A CE1 986 C CE2 . TYR A 130 ? 0.3924 0.4726 0.3173 -0.0377 -0.0356 0.0277 128 TYR A CE2 987 C CZ . TYR A 130 ? 0.4731 0.5555 0.4121 -0.0390 -0.0343 0.0247 128 TYR A CZ 988 O OH . TYR A 130 ? 0.4379 0.5240 0.3853 -0.0321 -0.0353 0.0306 128 TYR A OH 989 N N . ASP A 131 ? 0.4166 0.4864 0.3177 -0.0737 -0.0251 -0.0275 129 ASP A N 990 C CA . ASP A 131 ? 0.4440 0.5071 0.3316 -0.0764 -0.0205 -0.0371 129 ASP A CA 991 C C . ASP A 131 ? 0.4520 0.4959 0.3482 -0.0767 -0.0111 -0.0402 129 ASP A C 992 O O . ASP A 131 ? 0.5157 0.5528 0.4241 -0.0809 -0.0101 -0.0438 129 ASP A O 993 C CB . ASP A 131 ? 0.4678 0.5408 0.3498 -0.0847 -0.0266 -0.0503 129 ASP A CB 994 C CG . ASP A 131 ? 0.5606 0.6293 0.4228 -0.0865 -0.0231 -0.0604 129 ASP A CG 995 O OD1 . ASP A 131 ? 0.5593 0.6145 0.4178 -0.0827 -0.0132 -0.0599 129 ASP A OD1 996 O OD2 . ASP A 131 ? 0.7415 0.8215 0.5922 -0.0919 -0.0303 -0.0698 129 ASP A OD2 997 N N . GLY A 132 ? 0.4482 0.4839 0.3390 -0.0718 -0.0042 -0.0375 130 GLY A N 998 C CA . GLY A 132 ? 0.4806 0.5002 0.3809 -0.0697 0.0037 -0.0385 130 GLY A CA 999 C C . GLY A 132 ? 0.5313 0.5411 0.4269 -0.0724 0.0103 -0.0517 130 GLY A C 1000 O O . GLY A 132 ? 0.5018 0.4984 0.4050 -0.0690 0.0173 -0.0526 130 GLY A O 1001 N N . LYS A 133 ? 0.4584 0.4741 0.3413 -0.0781 0.0077 -0.0624 131 LYS A N 1002 C CA . LYS A 133 ? 0.5242 0.5284 0.4008 -0.0808 0.0146 -0.0769 131 LYS A CA 1003 C C . LYS A 133 ? 0.5935 0.5803 0.4846 -0.0844 0.0177 -0.0828 131 LYS A C 1004 O O . LYS A 133 ? 0.6426 0.6133 0.5352 -0.0825 0.0262 -0.0901 131 LYS A O 1005 C CB . LYS A 133 ? 0.5131 0.5271 0.3703 -0.0869 0.0100 -0.0885 131 LYS A CB 1006 C CG . LYS A 133 ? 0.5313 0.5565 0.3925 -0.0952 -0.0014 -0.0919 131 LYS A CG 1007 C CD . LYS A 133 ? 0.5235 0.5610 0.3642 -0.1008 -0.0081 -0.1033 131 LYS A CD 1008 C CE . LYS A 133 ? 0.6295 0.6810 0.4786 -0.1097 -0.0203 -0.1075 131 LYS A CE 1009 N NZ . LYS A 133 ? 0.7177 0.7853 0.5463 -0.1142 -0.0300 -0.1168 131 LYS A NZ 1010 N N . PHE A 134 ? 0.4698 0.4593 0.3720 -0.0891 0.0117 -0.0787 132 PHE A N 1011 C CA . PHE A 134 ? 0.4651 0.4375 0.3795 -0.0938 0.0152 -0.0830 132 PHE A CA 1012 C C . PHE A 134 ? 0.5513 0.5072 0.4757 -0.0857 0.0219 -0.0741 132 PHE A C 1013 O O . PHE A 134 ? 0.6030 0.5393 0.5316 -0.0855 0.0287 -0.0800 132 PHE A O 1014 C CB . PHE A 134 ? 0.5241 0.5057 0.4483 -0.1014 0.0084 -0.0805 132 PHE A CB 1015 C CG . PHE A 134 ? 0.5452 0.5447 0.4632 -0.1100 0.0002 -0.0900 132 PHE A CG 1016 C CD1 . PHE A 134 ? 0.4923 0.4857 0.4035 -0.1183 0.0008 -0.1069 132 PHE A CD1 1017 C CD2 . PHE A 134 ? 0.5822 0.6047 0.5013 -0.1093 -0.0088 -0.0826 132 PHE A CD2 1018 C CE1 . PHE A 134 ? 0.5056 0.5174 0.4105 -0.1266 -0.0087 -0.1163 132 PHE A CE1 1019 C CE2 . PHE A 134 ? 0.4998 0.5410 0.4143 -0.1162 -0.0181 -0.0905 132 PHE A CE2 1020 C CZ . PHE A 134 ? 0.5096 0.5465 0.4168 -0.1253 -0.0188 -0.1076 132 PHE A CZ 1021 N N . LEU A 135 ? 0.5539 0.5173 0.4823 -0.0789 0.0193 -0.0603 133 LEU A N 1022 C CA . LEU A 135 ? 0.4865 0.4380 0.4237 -0.0709 0.0231 -0.0512 133 LEU A CA 1023 C C . LEU A 135 ? 0.4960 0.4401 0.4326 -0.0643 0.0302 -0.0554 133 LEU A C 1024 O O . LEU A 135 ? 0.5620 0.4910 0.5070 -0.0590 0.0348 -0.0538 133 LEU A O 1025 C CB . LEU A 135 ? 0.4352 0.3975 0.3747 -0.0659 0.0182 -0.0378 133 LEU A CB 1026 C CG . LEU A 135 ? 0.4854 0.4523 0.4284 -0.0688 0.0131 -0.0307 133 LEU A CG 1027 C CD1 . LEU A 135 ? 0.5150 0.4934 0.4566 -0.0637 0.0085 -0.0207 133 LEU A CD1 1028 C CD2 . LEU A 135 ? 0.5023 0.4528 0.4520 -0.0683 0.0159 -0.0264 133 LEU A CD2 1029 N N . ALA A 136 ? 0.4702 0.4253 0.3968 -0.0640 0.0316 -0.0605 134 ALA A N 1030 C CA . ALA A 136 ? 0.5653 0.5158 0.4920 -0.0576 0.0402 -0.0651 134 ALA A CA 1031 C C . ALA A 136 ? 0.6436 0.5756 0.5695 -0.0597 0.0470 -0.0790 134 ALA A C 1032 O O . ALA A 136 ? 0.5899 0.5089 0.5247 -0.0525 0.0543 -0.0803 134 ALA A O 1033 C CB . ALA A 136 ? 0.4364 0.4030 0.3500 -0.0572 0.0416 -0.0664 134 ALA A CB 1034 N N . ARG A 137 ? 0.5828 0.5133 0.4995 -0.0695 0.0441 -0.0895 135 ARG A N 1035 C CA . ARG A 137 ? 0.5501 0.4610 0.4653 -0.0735 0.0501 -0.1043 135 ARG A CA 1036 C C . ARG A 137 ? 0.6308 0.5196 0.5611 -0.0717 0.0530 -0.1001 135 ARG A C 1037 O O . ARG A 137 ? 0.6156 0.4847 0.5503 -0.0666 0.0615 -0.1060 135 ARG A O 1038 C CB . ARG A 137 ? 0.5342 0.4506 0.4385 -0.0864 0.0441 -0.1162 135 ARG A CB 1039 C CG . ARG A 137 ? 0.5673 0.4615 0.4712 -0.0934 0.0492 -0.1327 135 ARG A CG 1040 C CD . ARG A 137 ? 0.6229 0.5068 0.5157 -0.0886 0.0590 -0.1464 135 ARG A CD 1041 N NE . ARG A 137 ? 0.8196 0.6828 0.7085 -0.0975 0.0626 -0.1650 135 ARG A NE 1042 C CZ . ARG A 137 ? 0.8926 0.7274 0.7921 -0.0947 0.0714 -0.1690 135 ARG A CZ 1043 N NH1 . ARG A 137 ? 0.9686 0.7947 0.8827 -0.0825 0.0764 -0.1551 135 ARG A NH1 1044 N NH2 . ARG A 137 ? 0.8548 0.6693 0.7502 -0.1042 0.0746 -0.1870 135 ARG A NH2 1045 N N . VAL A 138 ? 0.6259 0.5173 0.5631 -0.0752 0.0467 -0.0894 136 VAL A N 1046 C CA . VAL A 138 ? 0.5886 0.4588 0.5361 -0.0763 0.0491 -0.0851 136 VAL A CA 1047 C C . VAL A 138 ? 0.6283 0.4900 0.5853 -0.0637 0.0512 -0.0713 136 VAL A C 1048 O O . VAL A 138 ? 0.7097 0.5484 0.6729 -0.0598 0.0566 -0.0705 136 VAL A O 1049 C CB . VAL A 138 ? 0.6782 0.5555 0.6281 -0.0867 0.0429 -0.0808 136 VAL A CB 1050 C CG1 . VAL A 138 ? 0.6498 0.5060 0.6086 -0.0872 0.0464 -0.0729 136 VAL A CG1 1051 C CG2 . VAL A 138 ? 0.6127 0.4965 0.5571 -0.0999 0.0403 -0.0959 136 VAL A CG2 1052 N N . GLU A 139 ? 0.6748 0.5544 0.6328 -0.0572 0.0464 -0.0607 137 GLU A N 1053 C CA . GLU A 139 ? 0.5500 0.4250 0.5170 -0.0462 0.0457 -0.0478 137 GLU A CA 1054 C C . GLU A 139 ? 0.6246 0.5080 0.5971 -0.0360 0.0488 -0.0480 137 GLU A C 1055 O O . GLU A 139 ? 0.6634 0.5459 0.6460 -0.0263 0.0475 -0.0385 137 GLU A O 1056 C CB . GLU A 139 ? 0.5402 0.4270 0.5065 -0.0470 0.0376 -0.0350 137 GLU A CB 1057 C CG . GLU A 139 ? 0.5184 0.3973 0.4822 -0.0558 0.0365 -0.0332 137 GLU A CG 1058 C CD . GLU A 139 ? 0.5944 0.4471 0.5622 -0.0539 0.0415 -0.0300 137 GLU A CD 1059 O OE1 . GLU A 139 ? 0.7027 0.5450 0.6756 -0.0431 0.0431 -0.0250 137 GLU A OE1 1060 O OE2 . GLU A 139 ? 0.5901 0.4328 0.5571 -0.0631 0.0438 -0.0319 137 GLU A OE2 1061 N N . ARG A 140 ? 0.6574 0.5495 0.6231 -0.0384 0.0530 -0.0589 138 ARG A N 1062 C CA A ARG A 140 ? 0.6200 0.5222 0.5905 -0.0302 0.0584 -0.0603 138 ARG A CA 1063 C CA B ARG A 140 ? 0.6180 0.5202 0.5887 -0.0301 0.0583 -0.0602 138 ARG A CA 1064 C C . ARG A 140 ? 0.5691 0.4890 0.5476 -0.0254 0.0524 -0.0468 138 ARG A C 1065 O O . ARG A 140 ? 0.6288 0.5526 0.6211 -0.0162 0.0548 -0.0424 138 ARG A O 1066 C CB A ARG A 140 ? 0.6153 0.5004 0.5966 -0.0207 0.0674 -0.0652 138 ARG A CB 1067 C CB B ARG A 140 ? 0.6150 0.5000 0.5967 -0.0206 0.0671 -0.0647 138 ARG A CB 1068 C CG A ARG A 140 ? 0.6775 0.5411 0.6512 -0.0254 0.0745 -0.0804 138 ARG A CG 1069 C CG B ARG A 140 ? 0.6718 0.5315 0.6486 -0.0251 0.0720 -0.0756 138 ARG A CG 1070 C CD A ARG A 140 ? 0.6720 0.5351 0.6427 -0.0210 0.0859 -0.0942 138 ARG A CD 1071 C CD B ARG A 140 ? 0.6871 0.5492 0.6471 -0.0359 0.0744 -0.0912 138 ARG A CD 1072 N NE A ARG A 140 ? 0.5969 0.4655 0.5848 -0.0070 0.0916 -0.0887 138 ARG A NE 1073 N NE B ARG A 140 ? 0.7095 0.5695 0.6659 -0.0310 0.0851 -0.1041 138 ARG A NE 1074 C CZ A ARG A 140 ? 0.5357 0.4152 0.5241 -0.0017 0.1011 -0.0956 138 ARG A CZ 1075 C CZ B ARG A 140 ? 0.7318 0.5910 0.6714 -0.0387 0.0886 -0.1200 138 ARG A CZ 1076 N NH1 A ARG A 140 ? 0.4177 0.3019 0.3866 -0.0089 0.1060 -0.1082 138 ARG A NH1 1077 N NH1 B ARG A 140 ? 0.4294 0.2915 0.3567 -0.0518 0.0810 -0.1247 138 ARG A NH1 1078 N NH2 A ARG A 140 ? 0.5001 0.3871 0.5087 0.0109 0.1058 -0.0896 138 ARG A NH2 1079 N NH2 B ARG A 140 ? 0.4491 0.3056 0.3841 -0.0331 0.0997 -0.1317 138 ARG A NH2 1080 N N . VAL A 141 ? 0.4845 0.4154 0.4557 -0.0317 0.0445 -0.0408 139 VAL A N 1081 C CA . VAL A 141 ? 0.5813 0.5285 0.5575 -0.0291 0.0395 -0.0305 139 VAL A CA 1082 C C . VAL A 141 ? 0.5713 0.5340 0.5373 -0.0334 0.0414 -0.0336 139 VAL A C 1083 O O . VAL A 141 ? 0.6185 0.5807 0.5710 -0.0391 0.0433 -0.0422 139 VAL A O 1084 C CB . VAL A 141 ? 0.5692 0.5168 0.5436 -0.0319 0.0301 -0.0209 139 VAL A CB 1085 C CG1 . VAL A 141 ? 0.5254 0.4578 0.5071 -0.0269 0.0281 -0.0155 139 VAL A CG1 1086 C CG2 . VAL A 141 ? 0.5039 0.4530 0.4654 -0.0411 0.0273 -0.0246 139 VAL A CG2 1087 N N . ILE A 142 ? 0.5626 0.5387 0.5346 -0.0309 0.0407 -0.0264 140 ILE A N 1088 C CA . ILE A 142 ? 0.4896 0.4787 0.4507 -0.0348 0.0424 -0.0261 140 ILE A CA 1089 C C . ILE A 142 ? 0.4728 0.4659 0.4270 -0.0394 0.0329 -0.0187 140 ILE A C 1090 O O . ILE A 142 ? 0.5237 0.5146 0.4860 -0.0379 0.0268 -0.0115 140 ILE A O 1091 C CB . ILE A 142 ? 0.4766 0.4771 0.4492 -0.0307 0.0485 -0.0221 140 ILE A CB 1092 C CG1 . ILE A 142 ? 0.4403 0.4394 0.4147 -0.0266 0.0606 -0.0319 140 ILE A CG1 1093 C CG2 . ILE A 142 ? 0.5073 0.5195 0.4700 -0.0351 0.0482 -0.0165 140 ILE A CG2 1094 C CD1 . ILE A 142 ? 0.4429 0.4533 0.4363 -0.0211 0.0678 -0.0283 140 ILE A CD1 1095 N N . VAL A 143 ? 0.5020 0.5007 0.4405 -0.0444 0.0315 -0.0209 141 VAL A N 1096 C CA . VAL A 143 ? 0.4703 0.4735 0.4039 -0.0472 0.0231 -0.0138 141 VAL A CA 1097 C C . VAL A 143 ? 0.5374 0.5508 0.4631 -0.0477 0.0237 -0.0076 141 VAL A C 1098 O O . VAL A 143 ? 0.5898 0.6083 0.5029 -0.0489 0.0282 -0.0115 141 VAL A O 1099 C CB . VAL A 143 ? 0.4775 0.4799 0.4017 -0.0523 0.0183 -0.0192 141 VAL A CB 1100 C CG1 . VAL A 143 ? 0.3232 0.3317 0.2460 -0.0532 0.0104 -0.0109 141 VAL A CG1 1101 C CG2 . VAL A 143 ? 0.4541 0.4441 0.3852 -0.0533 0.0192 -0.0251 141 VAL A CG2 1102 N N . VAL A 144 ? 0.4617 0.4767 0.3933 -0.0467 0.0193 0.0019 142 VAL A N 1103 C CA . VAL A 144 ? 0.3415 0.3627 0.2662 -0.0474 0.0195 0.0095 142 VAL A CA 1104 C C . VAL A 144 ? 0.4660 0.4871 0.3860 -0.0477 0.0111 0.0155 142 VAL A C 1105 O O . VAL A 144 ? 0.4450 0.4611 0.3726 -0.0470 0.0061 0.0167 142 VAL A O 1106 C CB . VAL A 144 ? 0.4086 0.4311 0.3466 -0.0462 0.0237 0.0153 142 VAL A CB 1107 C CG1 . VAL A 144 ? 0.4119 0.4383 0.3425 -0.0479 0.0260 0.0238 142 VAL A CG1 1108 C CG2 . VAL A 144 ? 0.3552 0.3799 0.3015 -0.0445 0.0324 0.0093 142 VAL A CG2 1109 N N . SER A 145 ? 0.4054 0.4321 0.3122 -0.0481 0.0099 0.0196 143 SER A N 1110 C CA . SER A 145 ? 0.3521 0.3791 0.2565 -0.0466 0.0030 0.0269 143 SER A CA 1111 C C . SER A 145 ? 0.4455 0.4736 0.3409 -0.0455 0.0051 0.0364 143 SER A C 1112 O O . SER A 145 ? 0.5221 0.5542 0.4069 -0.0465 0.0107 0.0363 143 SER A O 1113 C CB . SER A 145 ? 0.3428 0.3760 0.2412 -0.0471 -0.0033 0.0224 143 SER A CB 1114 O OG . SER A 145 ? 0.5238 0.5651 0.4072 -0.0484 -0.0030 0.0192 143 SER A OG 1115 N N . MET A 146 ? 0.5106 0.5336 0.4093 -0.0433 0.0017 0.0448 144 MET A N 1116 C CA . MET A 146 ? 0.5659 0.5863 0.4567 -0.0424 0.0044 0.0553 144 MET A CA 1117 C C . MET A 146 ? 0.5462 0.5655 0.4308 -0.0377 -0.0022 0.0626 144 MET A C 1118 O O . MET A 146 ? 0.5461 0.5647 0.4377 -0.0353 -0.0080 0.0604 144 MET A O 1119 C CB . MET A 146 ? 0.4988 0.5105 0.4021 -0.0448 0.0091 0.0597 144 MET A CB 1120 C CG . MET A 146 ? 0.4581 0.4596 0.3698 -0.0431 0.0038 0.0632 144 MET A CG 1121 S SD . MET A 146 ? 0.4914 0.4922 0.4122 -0.0417 -0.0028 0.0541 144 MET A SD 1122 C CE . MET A 146 ? 0.3152 0.3142 0.2510 -0.0457 0.0000 0.0494 144 MET A CE 1123 N N . ASN A 147 ? 0.4702 0.4893 0.3413 -0.0358 -0.0008 0.0720 145 ASN A N 1124 C CA . ASN A 147 ? 0.4505 0.4650 0.3184 -0.0299 -0.0060 0.0819 145 ASN A CA 1125 C C . ASN A 147 ? 0.4080 0.4061 0.2848 -0.0303 -0.0023 0.0890 145 ASN A C 1126 O O . ASN A 147 ? 0.4340 0.4262 0.3123 -0.0351 0.0052 0.0921 145 ASN A O 1127 C CB . ASN A 147 ? 0.4365 0.4568 0.2843 -0.0263 -0.0075 0.0904 145 ASN A CB 1128 C CG . ASN A 147 ? 0.4899 0.5271 0.3289 -0.0258 -0.0142 0.0824 145 ASN A CG 1129 O OD1 . ASN A 147 ? 0.4562 0.4999 0.3063 -0.0273 -0.0184 0.0719 145 ASN A OD1 1130 N ND2 . ASN A 147 ? 0.5367 0.5807 0.3548 -0.0241 -0.0154 0.0874 145 ASN A ND2 1131 N N . TYR A 148 ? 0.5066 0.4974 0.3905 -0.0257 -0.0072 0.0907 146 TYR A N 1132 C CA . TYR A 148 ? 0.4647 0.4375 0.3552 -0.0259 -0.0045 0.0966 146 TYR A CA 1133 C C . TYR A 148 ? 0.4762 0.4413 0.3617 -0.0171 -0.0083 0.1061 146 TYR A C 1134 O O . TYR A 148 ? 0.4897 0.4652 0.3743 -0.0105 -0.0146 0.1046 146 TYR A O 1135 C CB . TYR A 148 ? 0.4173 0.3847 0.3222 -0.0291 -0.0056 0.0871 146 TYR A CB 1136 C CG . TYR A 148 ? 0.5039 0.4754 0.4124 -0.0240 -0.0115 0.0810 146 TYR A CG 1137 C CD1 . TYR A 148 ? 0.4313 0.3917 0.3421 -0.0180 -0.0135 0.0837 146 TYR A CD1 1138 C CD2 . TYR A 148 ? 0.5193 0.5046 0.4296 -0.0252 -0.0137 0.0724 146 TYR A CD2 1139 C CE1 . TYR A 148 ? 0.3819 0.3472 0.2969 -0.0132 -0.0169 0.0783 146 TYR A CE1 1140 C CE2 . TYR A 148 ? 0.3999 0.3892 0.3147 -0.0216 -0.0174 0.0675 146 TYR A CE2 1141 C CZ . TYR A 148 ? 0.4355 0.4158 0.3527 -0.0154 -0.0187 0.0706 146 TYR A CZ 1142 O OH . TYR A 148 ? 0.3592 0.3445 0.2816 -0.0114 -0.0206 0.0660 146 TYR A OH 1143 N N . ARG A 149 ? 0.4465 0.3939 0.3303 -0.0167 -0.0041 0.1162 147 ARG A N 1144 C CA . ARG A 149 ? 0.5120 0.4491 0.3915 -0.0068 -0.0070 0.1264 147 ARG A CA 1145 C C . ARG A 149 ? 0.5031 0.4380 0.3932 -0.0003 -0.0120 0.1198 147 ARG A C 1146 O O . ARG A 149 ? 0.5123 0.4394 0.4122 -0.0046 -0.0107 0.1108 147 ARG A O 1147 C CB . ARG A 149 ? 0.4834 0.3969 0.3607 -0.0086 -0.0004 0.1379 147 ARG A CB 1148 C CG . ARG A 149 ? 0.4928 0.4065 0.3549 -0.0108 0.0051 0.1504 147 ARG A CG 1149 C CD . ARG A 149 ? 0.4129 0.3026 0.2774 -0.0171 0.0143 0.1595 147 ARG A CD 1150 N NE . ARG A 149 ? 0.4927 0.3816 0.3730 -0.0292 0.0188 0.1489 147 ARG A NE 1151 C CZ . ARG A 149 ? 0.5790 0.4504 0.4686 -0.0378 0.0258 0.1519 147 ARG A CZ 1152 N NH1 . ARG A 149 ? 0.6016 0.4509 0.4852 -0.0361 0.0306 0.1658 147 ARG A NH1 1153 N NH2 . ARG A 149 ? 0.4786 0.3543 0.3844 -0.0483 0.0277 0.1412 147 ARG A NH2 1154 N N . VAL A 150 ? 0.4902 0.4337 0.3782 0.0103 -0.0176 0.1242 148 VAL A N 1155 C CA . VAL A 150 ? 0.5482 0.4908 0.4469 0.0182 -0.0206 0.1194 148 VAL A CA 1156 C C . VAL A 150 ? 0.6154 0.5422 0.5139 0.0302 -0.0208 0.1306 148 VAL A C 1157 O O . VAL A 150 ? 0.5793 0.4969 0.4679 0.0331 -0.0198 0.1439 148 VAL A O 1158 C CB . VAL A 150 ? 0.4603 0.4296 0.3634 0.0211 -0.0268 0.1127 148 VAL A CB 1159 C CG1 . VAL A 150 ? 0.4689 0.4475 0.3753 0.0103 -0.0254 0.0999 148 VAL A CG1 1160 C CG2 . VAL A 150 ? 0.3264 0.3122 0.2197 0.0256 -0.0326 0.1212 148 VAL A CG2 1161 N N . GLY A 151 ? 0.5130 0.4355 0.4219 0.0376 -0.0211 0.1255 149 GLY A N 1162 C CA . GLY A 151 ? 0.5703 0.4764 0.4814 0.0504 -0.0205 0.1344 149 GLY A CA 1163 C C . GLY A 151 ? 0.6360 0.5089 0.5422 0.0474 -0.0141 0.1407 149 GLY A C 1164 O O . GLY A 151 ? 0.6537 0.5153 0.5593 0.0349 -0.0099 0.1344 149 GLY A O 1165 N N . ALA A 152 ? 0.5123 0.3697 0.4162 0.0590 -0.0137 0.1537 150 ALA A N 1166 C CA . ALA A 152 ? 0.4781 0.3008 0.3779 0.0567 -0.0071 0.1612 150 ALA A CA 1167 C C . ALA A 152 ? 0.5565 0.3753 0.4469 0.0425 -0.0033 0.1665 150 ALA A C 1168 O O . ALA A 152 ? 0.6796 0.4763 0.5722 0.0321 0.0029 0.1637 150 ALA A O 1169 C CB . ALA A 152 ? 0.4834 0.2915 0.3810 0.0728 -0.0076 0.1766 150 ALA A CB 1170 N N . LEU A 153 ? 0.5152 0.3565 0.3959 0.0416 -0.0066 0.1730 151 LEU A N 1171 C CA . LEU A 153 ? 0.5091 0.3504 0.3807 0.0287 -0.0016 0.1771 151 LEU A CA 1172 C C . LEU A 153 ? 0.5973 0.4435 0.4781 0.0141 0.0013 0.1617 151 LEU A C 1173 O O . LEU A 153 ? 0.7616 0.5999 0.6418 0.0025 0.0078 0.1634 151 LEU A O 1174 C CB . LEU A 153 ? 0.5472 0.4137 0.4051 0.0302 -0.0066 0.1808 151 LEU A CB 1175 C CG . LEU A 153 ? 0.6841 0.5476 0.5317 0.0414 -0.0117 0.1918 151 LEU A CG 1176 C CD1 . LEU A 153 ? 0.7423 0.6335 0.5770 0.0439 -0.0191 0.1921 151 LEU A CD1 1177 C CD2 . LEU A 153 ? 0.6916 0.5281 0.5312 0.0367 -0.0047 0.2018 151 LEU A CD2 1178 N N . GLY A 154 ? 0.6252 0.4847 0.5153 0.0150 -0.0033 0.1473 152 GLY A N 1179 C CA . GLY A 154 ? 0.4205 0.2858 0.3184 0.0031 -0.0022 0.1331 152 GLY A CA 1180 C C . GLY A 154 ? 0.5412 0.3856 0.4483 -0.0004 -0.0005 0.1241 152 GLY A C 1181 O O . GLY A 154 ? 0.5876 0.4295 0.5006 -0.0120 0.0012 0.1161 152 GLY A O 1182 N N . PHE A 155 ? 0.5481 0.3777 0.4566 0.0099 -0.0011 0.1247 153 PHE A N 1183 C CA . PHE A 155 ? 0.4740 0.2858 0.3885 0.0078 -0.0002 0.1128 153 PHE A CA 1184 C C . PHE A 155 ? 0.5453 0.3254 0.4597 0.0145 0.0035 0.1175 153 PHE A C 1185 O O . PHE A 155 ? 0.5765 0.3418 0.4935 0.0162 0.0041 0.1069 153 PHE A O 1186 C CB . PHE A 155 ? 0.3969 0.2256 0.3142 0.0125 -0.0040 0.1008 153 PHE A CB 1187 C CG . PHE A 155 ? 0.5636 0.4169 0.4818 0.0043 -0.0069 0.0941 153 PHE A CG 1188 C CD1 . PHE A 155 ? 0.5405 0.3913 0.4615 -0.0071 -0.0072 0.0845 153 PHE A CD1 1189 C CD2 . PHE A 155 ? 0.6064 0.4849 0.5231 0.0079 -0.0098 0.0974 153 PHE A CD2 1190 C CE1 . PHE A 155 ? 0.5810 0.4527 0.5034 -0.0132 -0.0095 0.0794 153 PHE A CE1 1191 C CE2 . PHE A 155 ? 0.5478 0.4456 0.4653 0.0004 -0.0116 0.0909 153 PHE A CE2 1192 C CZ . PHE A 155 ? 0.5187 0.4125 0.4392 -0.0094 -0.0111 0.0825 153 PHE A CZ 1193 N N . LEU A 156 ? 0.5800 0.3482 0.4900 0.0188 0.0064 0.1333 154 LEU A N 1194 C CA . LEU A 156 ? 0.6926 0.4254 0.6029 0.0231 0.0111 0.1384 154 LEU A CA 1195 C C . LEU A 156 ? 0.7376 0.4499 0.6530 0.0076 0.0142 0.1277 154 LEU A C 1196 O O . LEU A 156 ? 0.6880 0.4085 0.6058 -0.0065 0.0151 0.1273 154 LEU A O 1197 C CB . LEU A 156 ? 0.6967 0.4182 0.5999 0.0268 0.0146 0.1588 154 LEU A CB 1198 C CG . LEU A 156 ? 0.6910 0.3801 0.5970 0.0316 0.0177 0.1626 154 LEU A CG 1199 C CD1 . LEU A 156 ? 0.6805 0.3709 0.5875 0.0521 0.0144 0.1657 154 LEU A CD1 1200 C CD2 . LEU A 156 ? 0.7021 0.3838 0.6039 0.0243 0.0199 0.1755 154 LEU A CD2 1201 N N . ALA A 157 ? 0.7224 0.4091 0.6400 0.0103 0.0158 0.1184 155 ALA A N 1202 C CA . ALA A 157 ? 0.7028 0.3726 0.6250 -0.0049 0.0165 0.1052 155 ALA A CA 1203 C C . ALA A 157 ? 0.7237 0.3509 0.6469 -0.0060 0.0219 0.1050 155 ALA A C 1204 O O . ALA A 157 ? 0.7198 0.3279 0.6401 0.0074 0.0239 0.1033 155 ALA A O 1205 C CB . ALA A 157 ? 0.7099 0.3937 0.6318 -0.0060 0.0112 0.0867 155 ALA A CB 1206 N N . LEU A 158 ? 0.7382 0.3519 0.6674 -0.0223 0.0247 0.1066 156 LEU A N 1207 C CA . LEU A 158 ? 0.7882 0.3737 0.7261 -0.0296 0.0265 0.0994 156 LEU A CA 1208 C C . LEU A 158 ? 0.7547 0.3449 0.7013 -0.0502 0.0238 0.0873 156 LEU A C 1209 O O . LEU A 158 ? 0.8245 0.4209 0.7825 -0.0629 0.0259 0.0942 156 LEU A O 1210 C CB . LEU A 158 ? 0.7577 0.3319 0.7005 -0.0295 0.0302 0.1157 156 LEU A CB 1211 C CG . LEU A 158 ? 0.7958 0.3653 0.7308 -0.0094 0.0311 0.1288 156 LEU A CG 1212 C CD1 . LEU A 158 ? 0.7272 0.2855 0.6618 -0.0115 0.0338 0.1456 156 LEU A CD1 1213 C CD2 . LEU A 158 ? 0.8373 0.3845 0.7717 0.0023 0.0315 0.1173 156 LEU A CD2 1214 N N . PRO A 159 ? 0.7757 0.3654 0.7168 -0.0535 0.0183 0.0692 157 PRO A N 1215 C CA . PRO A 159 ? 0.8007 0.4066 0.7510 -0.0716 0.0123 0.0585 157 PRO A CA 1216 C C . PRO A 159 ? 0.8027 0.3945 0.7705 -0.0877 0.0139 0.0538 157 PRO A C 1217 O O . PRO A 159 ? 0.8450 0.4108 0.8152 -0.0863 0.0154 0.0478 157 PRO A O 1218 C CB . PRO A 159 ? 0.8026 0.4177 0.7445 -0.0675 0.0043 0.0401 157 PRO A CB 1219 C CG . PRO A 159 ? 0.8469 0.4689 0.7777 -0.0471 0.0068 0.0461 157 PRO A CG 1220 C CD . PRO A 159 ? 0.7864 0.3782 0.7165 -0.0392 0.0152 0.0585 157 PRO A CD 1221 N N . GLY A 160 ? 0.7258 0.3380 0.7083 -0.1023 0.0133 0.0563 158 GLY A N 1222 C CA . GLY A 160 ? 0.7625 0.3689 0.7672 -0.1180 0.0154 0.0538 158 GLY A CA 1223 C C . GLY A 160 ? 0.8613 0.4690 0.8741 -0.1190 0.0230 0.0750 158 GLY A C 1224 O O . GLY A 160 ? 0.9790 0.5912 1.0081 -0.1338 0.0234 0.0779 158 GLY A O 1225 N N . ASN A 161 ? 0.8304 0.4351 0.8266 -0.1037 0.0268 0.0898 159 ASN A N 1226 C CA . ASN A 161 ? 0.8282 0.4323 0.8198 -0.1027 0.0324 0.1102 159 ASN A CA 1227 C C . ASN A 161 ? 0.7356 0.3716 0.7230 -0.1021 0.0351 0.1199 159 ASN A C 1228 O O . ASN A 161 ? 0.7403 0.3892 0.7161 -0.0891 0.0341 0.1218 159 ASN A O 1229 C CB . ASN A 161 ? 0.8111 0.3938 0.7873 -0.0849 0.0344 0.1195 159 ASN A CB 1230 C CG . ASN A 161 ? 0.8101 0.3823 0.7804 -0.0851 0.0401 0.1381 159 ASN A CG 1231 O OD1 . ASN A 161 ? 0.7873 0.3764 0.7563 -0.0923 0.0442 0.1484 159 ASN A OD1 1232 N ND2 . ASN A 161 ? 0.8410 0.3846 0.8064 -0.0764 0.0411 0.1420 159 ASN A ND2 1233 N N . PRO A 162 ? 0.7632 0.4111 0.7577 -0.1164 0.0390 0.1253 160 PRO A N 1234 C CA . PRO A 162 ? 0.6971 0.3752 0.6874 -0.1172 0.0428 0.1314 160 PRO A CA 1235 C C . PRO A 162 ? 0.7715 0.4534 0.7417 -0.1033 0.0474 0.1481 160 PRO A C 1236 O O . PRO A 162 ? 0.8166 0.5227 0.7804 -0.1011 0.0503 0.1525 160 PRO A O 1237 C CB . PRO A 162 ? 0.7479 0.4332 0.7510 -0.1359 0.0488 0.1314 160 PRO A CB 1238 C CG . PRO A 162 ? 0.7722 0.4327 0.7872 -0.1464 0.0454 0.1237 160 PRO A CG 1239 C CD . PRO A 162 ? 0.8062 0.4391 0.8108 -0.1323 0.0419 0.1257 160 PRO A CD 1240 N N . GLU A 163 ? 0.8362 0.4947 0.7967 -0.0938 0.0477 0.1566 161 GLU A N 1241 C CA . GLU A 163 ? 0.8926 0.5547 0.8337 -0.0799 0.0496 0.1720 161 GLU A CA 1242 C C . GLU A 163 ? 0.8402 0.5144 0.7719 -0.0631 0.0434 0.1695 161 GLU A C 1243 O O . GLU A 163 ? 0.9521 0.6420 0.8692 -0.0533 0.0430 0.1788 161 GLU A O 1244 C CB . GLU A 163 ? 1.0345 0.6674 0.9696 -0.0755 0.0518 0.1827 161 GLU A CB 1245 C CG . GLU A 163 ? 1.0636 0.6825 1.0067 -0.0920 0.0588 0.1873 161 GLU A CG 1246 C CD . GLU A 163 ? 1.1014 0.7428 1.0415 -0.1014 0.0663 0.1953 161 GLU A CD 1247 O OE1 . GLU A 163 ? 1.0425 0.7037 0.9676 -0.0923 0.0667 0.2022 161 GLU A OE1 1248 O OE2 . GLU A 163 ? 1.1705 0.8104 1.1239 -0.1182 0.0720 0.1937 161 GLU A OE2 1249 N N . ALA A 164 ? 0.7473 0.4144 0.6868 -0.0603 0.0385 0.1562 162 ALA A N 1250 C CA . ALA A 164 ? 0.7562 0.4343 0.6879 -0.0455 0.0336 0.1522 162 ALA A CA 1251 C C . ALA A 164 ? 0.7095 0.3810 0.6479 -0.0489 0.0302 0.1339 162 ALA A C 1252 O O . ALA A 164 ? 0.6581 0.3119 0.5931 -0.0395 0.0279 0.1275 162 ALA A O 1253 C CB . ALA A 164 ? 0.7801 0.4456 0.7017 -0.0279 0.0317 0.1607 162 ALA A CB 1254 N N . PRO A 165 ? 0.7369 0.4261 0.6838 -0.0621 0.0281 0.1238 163 PRO A N 1255 C CA . PRO A 165 ? 0.6318 0.3201 0.5867 -0.0692 0.0213 0.1041 163 PRO A CA 1256 C C . PRO A 165 ? 0.5940 0.2981 0.5414 -0.0581 0.0134 0.0926 163 PRO A C 1257 O O . PRO A 165 ? 0.5765 0.2751 0.5259 -0.0621 0.0080 0.0770 163 PRO A O 1258 C CB . PRO A 165 ? 0.5799 0.2895 0.5490 -0.0854 0.0209 0.1003 163 PRO A CB 1259 C CG . PRO A 165 ? 0.5870 0.3199 0.5514 -0.0815 0.0254 0.1135 163 PRO A CG 1260 C CD . PRO A 165 ? 0.7039 0.4179 0.6553 -0.0711 0.0317 0.1303 163 PRO A CD 1261 N N . GLY A 166 ? 0.5752 0.2982 0.5139 -0.0451 0.0126 0.0998 164 GLY A N 1262 C CA . GLY A 166 ? 0.5053 0.2471 0.4392 -0.0364 0.0064 0.0899 164 GLY A CA 1263 C C . GLY A 166 ? 0.5585 0.3324 0.4959 -0.0423 0.0028 0.0862 164 GLY A C 1264 O O . GLY A 166 ? 0.5440 0.3244 0.4901 -0.0544 0.0041 0.0869 164 GLY A O 1265 N N . ASN A 167 ? 0.4932 0.2871 0.4255 -0.0337 -0.0010 0.0826 165 ASN A N 1266 C CA . ASN A 167 ? 0.4741 0.2954 0.4091 -0.0381 -0.0044 0.0779 165 ASN A CA 1267 C C . ASN A 167 ? 0.5291 0.3661 0.4669 -0.0435 -0.0008 0.0869 165 ASN A C 1268 O O . ASN A 167 ? 0.5774 0.4316 0.5214 -0.0502 -0.0023 0.0820 165 ASN A O 1269 C CB . ASN A 167 ? 0.4619 0.2828 0.4029 -0.0474 -0.0092 0.0645 165 ASN A CB 1270 C CG . ASN A 167 ? 0.5423 0.3516 0.4761 -0.0418 -0.0127 0.0539 165 ASN A CG 1271 O OD1 . ASN A 167 ? 0.6141 0.4242 0.5408 -0.0304 -0.0114 0.0551 165 ASN A OD1 1272 N ND2 . ASN A 167 ? 0.5296 0.3294 0.4654 -0.0497 -0.0170 0.0430 165 ASN A ND2 1273 N N . MET A 168 ? 0.4018 0.2327 0.3342 -0.0398 0.0042 0.1003 166 MET A N 1274 C CA . MET A 168 ? 0.4661 0.3108 0.3976 -0.0446 0.0089 0.1089 166 MET A CA 1275 C C . MET A 168 ? 0.5542 0.4265 0.4820 -0.0415 0.0059 0.1050 166 MET A C 1276 O O . MET A 168 ? 0.4504 0.3371 0.3828 -0.0485 0.0084 0.1033 166 MET A O 1277 C CB . MET A 168 ? 0.4008 0.2330 0.3224 -0.0397 0.0144 0.1252 166 MET A CB 1278 C CG . MET A 168 ? 0.5407 0.3428 0.4672 -0.0447 0.0192 0.1299 166 MET A CG 1279 S SD . MET A 168 ? 0.6613 0.4385 0.5857 -0.0337 0.0152 0.1257 166 MET A SD 1280 C CE . MET A 168 ? 0.4518 0.2284 0.3617 -0.0174 0.0161 0.1434 166 MET A CE 1281 N N . GLY A 169 ? 0.5136 0.3925 0.4346 -0.0311 0.0012 0.1033 167 GLY A N 1282 C CA . GLY A 169 ? 0.5235 0.4259 0.4418 -0.0287 -0.0021 0.0983 167 GLY A CA 1283 C C . GLY A 169 ? 0.5540 0.4658 0.4810 -0.0357 -0.0040 0.0866 167 GLY A C 1284 O O . GLY A 169 ? 0.5570 0.4853 0.4842 -0.0382 -0.0033 0.0843 167 GLY A O 1285 N N . LEU A 170 ? 0.4897 0.3903 0.4228 -0.0381 -0.0067 0.0791 168 LEU A N 1286 C CA . LEU A 170 ? 0.4530 0.3612 0.3938 -0.0441 -0.0097 0.0692 168 LEU A CA 1287 C C . LEU A 170 ? 0.4413 0.3554 0.3918 -0.0533 -0.0061 0.0711 168 LEU A C 1288 O O . LEU A 170 ? 0.5239 0.4531 0.4801 -0.0559 -0.0066 0.0668 168 LEU A O 1289 C CB . LEU A 170 ? 0.3862 0.2797 0.3284 -0.0450 -0.0140 0.0612 168 LEU A CB 1290 C CG . LEU A 170 ? 0.5309 0.4224 0.4646 -0.0358 -0.0160 0.0576 168 LEU A CG 1291 C CD1 . LEU A 170 ? 0.5615 0.4345 0.4922 -0.0354 -0.0183 0.0502 168 LEU A CD1 1292 C CD2 . LEU A 170 ? 0.4149 0.3245 0.3474 -0.0343 -0.0182 0.0530 168 LEU A CD2 1293 N N . PHE A 171 ? 0.4437 0.3456 0.3976 -0.0581 -0.0016 0.0777 169 PHE A N 1294 C CA . PHE A 171 ? 0.4547 0.3633 0.4198 -0.0672 0.0039 0.0806 169 PHE A CA 1295 C C . PHE A 171 ? 0.5083 0.4331 0.4674 -0.0653 0.0099 0.0863 169 PHE A C 1296 O O . PHE A 171 ? 0.5447 0.4812 0.5139 -0.0714 0.0149 0.0859 169 PHE A O 1297 C CB . PHE A 171 ? 0.5692 0.4590 0.5387 -0.0735 0.0087 0.0875 169 PHE A CB 1298 C CG . PHE A 171 ? 0.6546 0.5323 0.6359 -0.0808 0.0037 0.0792 169 PHE A CG 1299 C CD1 . PHE A 171 ? 0.6433 0.5343 0.6415 -0.0891 0.0004 0.0714 169 PHE A CD1 1300 C CD2 . PHE A 171 ? 0.5287 0.3820 0.5048 -0.0791 0.0020 0.0786 169 PHE A CD2 1301 C CE1 . PHE A 171 ? 0.5884 0.4698 0.5967 -0.0965 -0.0059 0.0631 169 PHE A CE1 1302 C CE2 . PHE A 171 ? 0.5433 0.3845 0.5282 -0.0867 -0.0030 0.0693 169 PHE A CE2 1303 C CZ . PHE A 171 ? 0.5666 0.4225 0.5672 -0.0959 -0.0076 0.0614 169 PHE A CZ 1304 N N . ASP A 172 ? 0.3793 0.3058 0.3228 -0.0568 0.0094 0.0908 170 ASP A N 1305 C CA . ASP A 172 ? 0.4637 0.4056 0.3979 -0.0547 0.0135 0.0939 170 ASP A CA 1306 C C . ASP A 172 ? 0.4939 0.4516 0.4336 -0.0548 0.0104 0.0830 170 ASP A C 1307 O O . ASP A 172 ? 0.4653 0.4350 0.4084 -0.0579 0.0157 0.0812 170 ASP A O 1308 C CB . ASP A 172 ? 0.3751 0.3168 0.2918 -0.0458 0.0112 0.1004 170 ASP A CB 1309 C CG . ASP A 172 ? 0.6235 0.5489 0.5322 -0.0440 0.0150 0.1140 170 ASP A CG 1310 O OD1 . ASP A 172 ? 0.5989 0.5150 0.5131 -0.0513 0.0223 0.1196 170 ASP A OD1 1311 O OD2 . ASP A 172 ? 0.5834 0.5056 0.4812 -0.0350 0.0110 0.1197 170 ASP A OD2 1312 N N . GLN A 173 ? 0.3491 0.3054 0.2893 -0.0508 0.0030 0.0761 171 GLN A N 1313 C CA . GLN A 173 ? 0.4161 0.3835 0.3614 -0.0507 0.0000 0.0668 171 GLN A CA 1314 C C . GLN A 173 ? 0.4995 0.4714 0.4606 -0.0571 0.0019 0.0633 171 GLN A C 1315 O O . GLN A 173 ? 0.4558 0.4396 0.4213 -0.0576 0.0048 0.0598 171 GLN A O 1316 C CB . GLN A 173 ? 0.3861 0.3478 0.3299 -0.0466 -0.0070 0.0614 171 GLN A CB 1317 C CG . GLN A 173 ? 0.3969 0.3590 0.3297 -0.0398 -0.0088 0.0639 171 GLN A CG 1318 C CD . GLN A 173 ? 0.4043 0.3604 0.3369 -0.0359 -0.0133 0.0592 171 GLN A CD 1319 O OE1 . GLN A 173 ? 0.4453 0.3974 0.3824 -0.0382 -0.0157 0.0534 171 GLN A OE1 1320 N NE2 . GLN A 173 ? 0.3475 0.3039 0.2746 -0.0294 -0.0145 0.0619 171 GLN A NE2 1321 N N . GLN A 174 ? 0.4408 0.4032 0.4112 -0.0619 0.0006 0.0643 172 GLN A N 1322 C CA . GLN A 174 ? 0.4750 0.4436 0.4638 -0.0683 0.0004 0.0606 172 GLN A CA 1323 C C . GLN A 174 ? 0.4709 0.4516 0.4680 -0.0723 0.0101 0.0646 172 GLN A C 1324 O O . GLN A 174 ? 0.5957 0.5897 0.6061 -0.0733 0.0112 0.0602 172 GLN A O 1325 C CB . GLN A 174 ? 0.4044 0.3600 0.4014 -0.0742 -0.0035 0.0602 172 GLN A CB 1326 C CG . GLN A 174 ? 0.3782 0.3417 0.3938 -0.0796 -0.0089 0.0537 172 GLN A CG 1327 C CD . GLN A 174 ? 0.5084 0.4590 0.5320 -0.0872 -0.0134 0.0517 172 GLN A CD 1328 O OE1 . GLN A 174 ? 0.5551 0.5020 0.5883 -0.0947 -0.0074 0.0565 172 GLN A OE1 1329 N NE2 . GLN A 174 ? 0.5439 0.4868 0.5626 -0.0857 -0.0234 0.0442 172 GLN A NE2 1330 N N . LEU A 175 ? 0.4389 0.4143 0.4276 -0.0737 0.0177 0.0733 173 LEU A N 1331 C CA . LEU A 175 ? 0.3988 0.3844 0.3919 -0.0776 0.0291 0.0780 173 LEU A CA 1332 C C . LEU A 175 ? 0.4802 0.4800 0.4663 -0.0724 0.0323 0.0734 173 LEU A C 1333 O O . LEU A 175 ? 0.4552 0.4679 0.4529 -0.0745 0.0397 0.0713 173 LEU A O 1334 C CB . LEU A 175 ? 0.3105 0.2851 0.2900 -0.0789 0.0364 0.0897 173 LEU A CB 1335 C CG . LEU A 175 ? 0.4707 0.4534 0.4536 -0.0843 0.0503 0.0962 173 LEU A CG 1336 C CD1 . LEU A 175 ? 0.4815 0.4733 0.4937 -0.0931 0.0536 0.0927 173 LEU A CD1 1337 C CD2 . LEU A 175 ? 0.4338 0.4014 0.4023 -0.0858 0.0567 0.1097 173 LEU A CD2 1338 N N . ALA A 176 ? 0.3946 0.3921 0.3636 -0.0657 0.0270 0.0711 174 ALA A N 1339 C CA . ALA A 176 ? 0.4135 0.4217 0.3757 -0.0616 0.0287 0.0649 174 ALA A CA 1340 C C . ALA A 176 ? 0.5301 0.5454 0.5097 -0.0611 0.0257 0.0560 174 ALA A C 1341 O O . ALA A 176 ? 0.6192 0.6444 0.6030 -0.0600 0.0318 0.0517 174 ALA A O 1342 C CB . ALA A 176 ? 0.3850 0.3897 0.3286 -0.0561 0.0225 0.0638 174 ALA A CB 1343 N N . LEU A 177 ? 0.4330 0.4428 0.4216 -0.0613 0.0166 0.0536 175 LEU A N 1344 C CA . LEU A 177 ? 0.4412 0.4573 0.4457 -0.0601 0.0124 0.0471 175 LEU A CA 1345 C C . LEU A 177 ? 0.4923 0.5204 0.5179 -0.0640 0.0189 0.0476 175 LEU A C 1346 O O . LEU A 177 ? 0.5586 0.5971 0.5953 -0.0610 0.0217 0.0433 175 LEU A O 1347 C CB . LEU A 177 ? 0.3545 0.3622 0.3623 -0.0602 0.0013 0.0452 175 LEU A CB 1348 C CG . LEU A 177 ? 0.3645 0.3610 0.3547 -0.0564 -0.0045 0.0445 175 LEU A CG 1349 C CD1 . LEU A 177 ? 0.3301 0.3195 0.3225 -0.0558 -0.0142 0.0411 175 LEU A CD1 1350 C CD2 . LEU A 177 ? 0.3376 0.3375 0.3176 -0.0518 -0.0026 0.0415 175 LEU A CD2 1351 N N . GLN A 178 ? 0.4706 0.4968 0.5029 -0.0706 0.0221 0.0533 176 GLN A N 1352 C CA . GLN A 178 ? 0.4602 0.4990 0.5148 -0.0761 0.0298 0.0549 176 GLN A CA 1353 C C . GLN A 178 ? 0.4542 0.5039 0.5056 -0.0737 0.0435 0.0551 176 GLN A C 1354 O O . GLN A 178 ? 0.4097 0.4743 0.4810 -0.0732 0.0491 0.0519 176 GLN A O 1355 C CB . GLN A 178 ? 0.4124 0.4430 0.4710 -0.0848 0.0319 0.0617 176 GLN A CB 1356 C CG . GLN A 178 ? 0.7231 0.7663 0.8054 -0.0927 0.0418 0.0648 176 GLN A CG 1357 C CD . GLN A 178 ? 0.9436 0.9981 1.0558 -0.0969 0.0335 0.0594 176 GLN A CD 1358 O OE1 . GLN A 178 ? 0.9330 0.9995 1.0557 -0.0911 0.0282 0.0532 176 GLN A OE1 1359 N NE2 . GLN A 178 ? 1.0099 1.0601 1.1361 -0.1071 0.0319 0.0618 176 GLN A NE2 1360 N N . TRP A 179 ? 0.4654 0.5082 0.4914 -0.0715 0.0484 0.0583 177 TRP A N 1361 C CA . TRP A 179 ? 0.4895 0.5403 0.5057 -0.0690 0.0607 0.0571 177 TRP A CA 1362 C C . TRP A 179 ? 0.5089 0.5668 0.5302 -0.0625 0.0598 0.0471 177 TRP A C 1363 O O . TRP A 179 ? 0.5006 0.5689 0.5282 -0.0607 0.0708 0.0436 177 TRP A O 1364 C CB . TRP A 179 ? 0.4350 0.4768 0.4198 -0.0672 0.0622 0.0615 177 TRP A CB 1365 C CG . TRP A 179 ? 0.5042 0.5532 0.4743 -0.0658 0.0752 0.0607 177 TRP A CG 1366 C CD1 . TRP A 179 ? 0.5078 0.5596 0.4719 -0.0697 0.0885 0.0684 177 TRP A CD1 1367 C CD2 . TRP A 179 ? 0.5229 0.5757 0.4807 -0.0605 0.0769 0.0510 177 TRP A CD2 1368 N NE1 . TRP A 179 ? 0.5874 0.6453 0.5344 -0.0666 0.0982 0.0639 177 TRP A NE1 1369 C CE2 . TRP A 179 ? 0.5838 0.6421 0.5272 -0.0611 0.0909 0.0524 177 TRP A CE2 1370 C CE3 . TRP A 179 ? 0.4678 0.5187 0.4252 -0.0559 0.0685 0.0412 177 TRP A CE3 1371 C CZ2 . TRP A 179 ? 0.5926 0.6540 0.5203 -0.0572 0.0960 0.0429 177 TRP A CZ2 1372 C CZ3 . TRP A 179 ? 0.5240 0.5772 0.4681 -0.0526 0.0736 0.0324 177 TRP A CZ3 1373 C CH2 . TRP A 179 ? 0.6297 0.6880 0.5588 -0.0532 0.0869 0.0324 177 TRP A CH2 1374 N N . VAL A 180 ? 0.4314 0.4821 0.4496 -0.0587 0.0477 0.0427 178 VAL A N 1375 C CA . VAL A 180 ? 0.4347 0.4879 0.4570 -0.0526 0.0461 0.0343 178 VAL A CA 1376 C C . VAL A 180 ? 0.5098 0.5748 0.5617 -0.0511 0.0470 0.0323 178 VAL A C 1377 O O . VAL A 180 ? 0.6162 0.6883 0.6764 -0.0462 0.0541 0.0270 178 VAL A O 1378 C CB . VAL A 180 ? 0.3692 0.4112 0.3812 -0.0497 0.0338 0.0317 178 VAL A CB 1379 C CG1 . VAL A 180 ? 0.3348 0.3771 0.3554 -0.0439 0.0317 0.0249 178 VAL A CG1 1380 C CG2 . VAL A 180 ? 0.3012 0.3361 0.2872 -0.0498 0.0336 0.0319 178 VAL A CG2 1381 N N . GLN A 181 ? 0.4367 0.5037 0.5047 -0.0552 0.0394 0.0360 179 GLN A N 1382 C CA . GLN A 181 ? 0.4667 0.5481 0.5656 -0.0548 0.0381 0.0349 179 GLN A CA 1383 C C . GLN A 181 ? 0.4809 0.5778 0.5950 -0.0563 0.0537 0.0355 179 GLN A C 1384 O O . GLN A 181 ? 0.5323 0.6425 0.6674 -0.0510 0.0577 0.0317 179 GLN A O 1385 C CB . GLN A 181 ? 0.4648 0.5461 0.5765 -0.0615 0.0277 0.0383 179 GLN A CB 1386 C CG . GLN A 181 ? 0.3710 0.4399 0.4719 -0.0589 0.0124 0.0365 179 GLN A CG 1387 C CD . GLN A 181 ? 0.4134 0.4862 0.5220 -0.0502 0.0064 0.0323 179 GLN A CD 1388 O OE1 . GLN A 181 ? 0.5298 0.6170 0.6636 -0.0484 0.0033 0.0314 179 GLN A OE1 1389 N NE2 . GLN A 181 ? 0.2978 0.3580 0.3857 -0.0446 0.0048 0.0302 179 GLN A NE2 1390 N N . LYS A 182 ? 0.4816 0.5766 0.5849 -0.0628 0.0632 0.0409 180 LYS A N 1391 C CA . LYS A 182 ? 0.4436 0.5529 0.5589 -0.0652 0.0802 0.0426 180 LYS A CA 1392 C C . LYS A 182 ? 0.4508 0.5620 0.5526 -0.0579 0.0921 0.0367 180 LYS A C 1393 O O . LYS A 182 ? 0.4061 0.5324 0.5257 -0.0557 0.1050 0.0342 180 LYS A O 1394 C CB . LYS A 182 ? 0.5269 0.6313 0.6328 -0.0745 0.0876 0.0518 180 LYS A CB 1395 C CG . LYS A 182 ? 0.5085 0.6216 0.6442 -0.0838 0.0862 0.0562 180 LYS A CG 1396 C CD . LYS A 182 ? 0.5927 0.6882 0.7151 -0.0914 0.0797 0.0632 180 LYS A CD 1397 C CE . LYS A 182 ? 0.6900 0.7927 0.8404 -0.1032 0.0833 0.0681 180 LYS A CE 1398 N NZ . LYS A 182 ? 0.7849 0.8667 0.9226 -0.1103 0.0771 0.0742 180 LYS A NZ 1399 N N . ASN A 183 ? 0.5115 0.6081 0.5833 -0.0542 0.0880 0.0334 181 ASN A N 1400 C CA . ASN A 183 ? 0.4388 0.5347 0.4915 -0.0498 0.0998 0.0275 181 ASN A CA 1401 C C . ASN A 183 ? 0.4667 0.5554 0.5118 -0.0419 0.0957 0.0173 181 ASN A C 1402 O O . ASN A 183 ? 0.5411 0.6315 0.5790 -0.0378 0.1071 0.0101 181 ASN A O 1403 C CB . ASN A 183 ? 0.3982 0.4855 0.4180 -0.0541 0.1038 0.0327 181 ASN A CB 1404 C CG . ASN A 183 ? 0.4703 0.5638 0.4954 -0.0613 0.1141 0.0430 181 ASN A CG 1405 O OD1 . ASN A 183 ? 0.5981 0.7032 0.6310 -0.0618 0.1301 0.0428 181 ASN A OD1 1406 N ND2 . ASN A 183 ? 0.4041 0.4892 0.4262 -0.0670 0.1060 0.0519 181 ASN A ND2 1407 N N . ILE A 184 ? 0.4905 0.5698 0.5360 -0.0402 0.0805 0.0165 182 ILE A N 1408 C CA . ILE A 184 ? 0.4507 0.5194 0.4851 -0.0345 0.0767 0.0080 182 ILE A CA 1409 C C . ILE A 184 ? 0.4655 0.5390 0.5161 -0.0266 0.0856 0.0001 182 ILE A C 1410 O O . ILE A 184 ? 0.4087 0.4733 0.4451 -0.0231 0.0900 -0.0086 182 ILE A O 1411 C CB . ILE A 184 ? 0.4798 0.5377 0.5128 -0.0341 0.0606 0.0097 182 ILE A CB 1412 C CG1 . ILE A 184 ? 0.4543 0.4989 0.4642 -0.0331 0.0576 0.0034 182 ILE A CG1 1413 C CG2 . ILE A 184 ? 0.5115 0.5729 0.5701 -0.0287 0.0547 0.0096 182 ILE A CG2 1414 C CD1 . ILE A 184 ? 0.3620 0.4053 0.3458 -0.0378 0.0612 0.0033 182 ILE A CD1 1415 N N . ALA A 185 ? 0.3829 0.4708 0.4640 -0.0240 0.0886 0.0027 183 ALA A N 1416 C CA . ALA A 185 ? 0.4854 0.5802 0.5863 -0.0150 0.0980 -0.0038 183 ALA A CA 1417 C C . ALA A 185 ? 0.5471 0.6425 0.6334 -0.0136 0.1161 -0.0114 183 ALA A C 1418 O O . ALA A 185 ? 0.6261 0.7170 0.7149 -0.0055 0.1233 -0.0205 183 ALA A O 1419 C CB . ALA A 185 ? 0.4077 0.5232 0.5469 -0.0133 0.0984 0.0011 183 ALA A CB 1420 N N . ALA A 186 ? 0.4496 0.5490 0.5187 -0.0210 0.1238 -0.0077 184 ALA A N 1421 C CA . ALA A 186 ? 0.4376 0.5376 0.4879 -0.0199 0.1411 -0.0147 184 ALA A CA 1422 C C . ALA A 186 ? 0.5119 0.5934 0.5303 -0.0188 0.1375 -0.0246 184 ALA A C 1423 O O . ALA A 186 ? 0.6794 0.7577 0.6830 -0.0157 0.1499 -0.0348 184 ALA A O 1424 C CB . ALA A 186 ? 0.3196 0.4276 0.3574 -0.0280 0.1502 -0.0064 184 ALA A CB 1425 N N . PHE A 187 ? 0.5072 0.5772 0.5162 -0.0217 0.1208 -0.0221 185 PHE A N 1426 C CA . PHE A 187 ? 0.3836 0.4372 0.3685 -0.0219 0.1149 -0.0310 185 PHE A CA 1427 C C . PHE A 187 ? 0.5018 0.5446 0.5021 -0.0150 0.1105 -0.0377 185 PHE A C 1428 O O . PHE A 187 ? 0.4448 0.4727 0.4298 -0.0160 0.1052 -0.0449 185 PHE A O 1429 C CB . PHE A 187 ? 0.3979 0.4461 0.3652 -0.0289 0.1003 -0.0241 185 PHE A CB 1430 C CG . PHE A 187 ? 0.5177 0.5722 0.4644 -0.0347 0.1038 -0.0175 185 PHE A CG 1431 C CD1 . PHE A 187 ? 0.4025 0.4667 0.3615 -0.0376 0.1058 -0.0055 185 PHE A CD1 1432 C CD2 . PHE A 187 ? 0.5186 0.5689 0.4336 -0.0373 0.1051 -0.0232 185 PHE A CD2 1433 C CE1 . PHE A 187 ? 0.4316 0.4988 0.3712 -0.0424 0.1100 0.0020 185 PHE A CE1 1434 C CE2 . PHE A 187 ? 0.5686 0.6240 0.4630 -0.0413 0.1079 -0.0155 185 PHE A CE2 1435 C CZ . PHE A 187 ? 0.5112 0.5739 0.4176 -0.0435 0.1110 -0.0022 185 PHE A CZ 1436 N N . GLY A 188 ? 0.4724 0.5230 0.5038 -0.0083 0.1123 -0.0345 186 GLY A N 1437 C CA . GLY A 188 ? 0.4415 0.4816 0.4885 -0.0003 0.1076 -0.0380 186 GLY A CA 1438 C C . GLY A 188 ? 0.6055 0.6399 0.6581 -0.0019 0.0902 -0.0294 186 GLY A C 1439 O O . GLY A 188 ? 0.6117 0.6321 0.6675 0.0029 0.0846 -0.0313 186 GLY A O 1440 N N . GLY A 189 ? 0.5268 0.5707 0.5796 -0.0084 0.0826 -0.0198 187 GLY A N 1441 C CA . GLY A 189 ? 0.4279 0.4666 0.4823 -0.0106 0.0670 -0.0123 187 GLY A CA 1442 C C . GLY A 189 ? 0.4571 0.5067 0.5398 -0.0062 0.0604 -0.0053 187 GLY A C 1443 O O . GLY A 189 ? 0.4979 0.5640 0.6013 -0.0041 0.0674 -0.0043 187 GLY A O 1444 N N . ASN A 190 ? 0.5254 0.5667 0.6087 -0.0049 0.0470 -0.0008 188 ASN A N 1445 C CA . ASN A 190 ? 0.5403 0.5915 0.6465 -0.0013 0.0373 0.0058 188 ASN A CA 1446 C C . ASN A 190 ? 0.4835 0.5379 0.5841 -0.0098 0.0272 0.0120 188 ASN A C 1447 O O . ASN A 190 ? 0.5000 0.5415 0.5831 -0.0124 0.0187 0.0139 188 ASN A O 1448 C CB . ASN A 190 ? 0.4922 0.5305 0.6006 0.0070 0.0290 0.0072 188 ASN A CB 1449 C CG . ASN A 190 ? 0.5386 0.5891 0.6707 0.0124 0.0181 0.0136 188 ASN A CG 1450 O OD1 . ASN A 190 ? 0.4713 0.5420 0.6235 0.0102 0.0179 0.0155 188 ASN A OD1 1451 N ND2 . ASN A 190 ? 0.5789 0.6176 0.7090 0.0193 0.0088 0.0173 188 ASN A ND2 1452 N N . PRO A 191 ? 0.4882 0.5593 0.6045 -0.0143 0.0291 0.0149 189 PRO A N 1453 C CA . PRO A 191 ? 0.4036 0.4756 0.5153 -0.0229 0.0206 0.0200 189 PRO A CA 1454 C C . PRO A 191 ? 0.5265 0.5961 0.6437 -0.0211 0.0046 0.0233 189 PRO A C 1455 O O . PRO A 191 ? 0.5311 0.5966 0.6400 -0.0274 -0.0036 0.0260 189 PRO A O 1456 C CB . PRO A 191 ? 0.3535 0.4440 0.4854 -0.0280 0.0285 0.0219 189 PRO A CB 1457 C CG . PRO A 191 ? 0.3743 0.4780 0.5285 -0.0201 0.0382 0.0184 189 PRO A CG 1458 C CD . PRO A 191 ? 0.4421 0.5307 0.5797 -0.0125 0.0418 0.0130 189 PRO A CD 1459 N N . LYS A 192 ? 0.4999 0.5709 0.6293 -0.0118 0.0003 0.0230 190 LYS A N 1460 C CA . LYS A 192 ? 0.4970 0.5658 0.6288 -0.0088 -0.0155 0.0266 190 LYS A CA 1461 C C . LYS A 192 ? 0.4186 0.4656 0.5255 -0.0052 -0.0192 0.0272 190 LYS A C 1462 O O . LYS A 192 ? 0.4710 0.5122 0.5732 -0.0017 -0.0309 0.0307 190 LYS A O 1463 C CB . LYS A 192 ? 0.5486 0.6332 0.7100 0.0001 -0.0197 0.0279 190 LYS A CB 1464 C CG . LYS A 192 ? 0.5733 0.6828 0.7643 -0.0044 -0.0182 0.0279 190 LYS A CG 1465 C CD . LYS A 192 ? 0.6925 0.8202 0.9158 0.0061 -0.0161 0.0278 190 LYS A CD 1466 C CE . LYS A 192 ? 0.7646 0.9200 1.0207 0.0003 -0.0119 0.0274 190 LYS A CE 1467 N NZ . LYS A 192 ? 0.8301 1.0006 1.1110 0.0083 0.0033 0.0249 190 LYS A NZ 1468 N N . SER A 193 ? 0.3550 0.3905 0.4455 -0.0064 -0.0090 0.0237 191 SER A N 1469 C CA . SER A 193 ? 0.3908 0.4067 0.4589 -0.0055 -0.0114 0.0240 191 SER A CA 1470 C C . SER A 193 ? 0.4362 0.4461 0.4844 -0.0138 -0.0064 0.0215 191 SER A C 1471 O O . SER A 193 ? 0.5396 0.5441 0.5795 -0.0146 0.0024 0.0168 191 SER A O 1472 C CB . SER A 193 ? 0.3652 0.3709 0.4353 0.0027 -0.0057 0.0218 191 SER A CB 1473 O OG . SER A 193 ? 0.3692 0.3557 0.4195 0.0023 -0.0080 0.0231 191 SER A OG 1474 N N . VAL A 194 ? 0.3722 0.3832 0.4132 -0.0196 -0.0126 0.0242 192 VAL A N 1475 C CA . VAL A 194 ? 0.3209 0.3280 0.3455 -0.0261 -0.0092 0.0233 192 VAL A CA 1476 C C . VAL A 194 ? 0.3702 0.3661 0.3786 -0.0276 -0.0164 0.0255 192 VAL A C 1477 O O . VAL A 194 ? 0.4373 0.4327 0.4465 -0.0278 -0.0249 0.0282 192 VAL A O 1478 C CB . VAL A 194 ? 0.4404 0.4583 0.4715 -0.0319 -0.0070 0.0248 192 VAL A CB 1479 C CG1 . VAL A 194 ? 0.2851 0.2972 0.2983 -0.0369 -0.0057 0.0258 192 VAL A CG1 1480 C CG2 . VAL A 194 ? 0.3350 0.3647 0.3801 -0.0311 0.0032 0.0227 192 VAL A CG2 1481 N N . THR A 195 ? 0.3580 0.3457 0.3520 -0.0290 -0.0128 0.0236 193 THR A N 1482 C CA . THR A 195 ? 0.4003 0.3788 0.3801 -0.0302 -0.0172 0.0255 193 THR A CA 1483 C C . THR A 195 ? 0.4906 0.4711 0.4613 -0.0348 -0.0149 0.0250 193 THR A C 1484 O O . THR A 195 ? 0.4839 0.4682 0.4523 -0.0367 -0.0092 0.0222 193 THR A O 1485 C CB . THR A 195 ? 0.4176 0.3851 0.3908 -0.0280 -0.0153 0.0249 193 THR A CB 1486 O OG1 . THR A 195 ? 0.5242 0.4880 0.5047 -0.0222 -0.0186 0.0274 193 THR A OG1 1487 C CG2 . THR A 195 ? 0.3156 0.2754 0.2750 -0.0298 -0.0173 0.0269 193 THR A CG2 1488 N N . LEU A 196 ? 0.3788 0.3569 0.3440 -0.0360 -0.0196 0.0275 194 LEU A N 1489 C CA . LEU A 196 ? 0.3014 0.2804 0.2588 -0.0384 -0.0179 0.0280 194 LEU A CA 1490 C C . LEU A 196 ? 0.3180 0.2920 0.2661 -0.0379 -0.0171 0.0272 194 LEU A C 1491 O O . LEU A 196 ? 0.4116 0.3783 0.3558 -0.0361 -0.0193 0.0279 194 LEU A O 1492 C CB . LEU A 196 ? 0.3826 0.3588 0.3393 -0.0394 -0.0221 0.0305 194 LEU A CB 1493 C CG . LEU A 196 ? 0.4253 0.4065 0.3940 -0.0417 -0.0231 0.0315 194 LEU A CG 1494 C CD1 . LEU A 196 ? 0.4102 0.3860 0.3776 -0.0443 -0.0266 0.0330 194 LEU A CD1 1495 C CD2 . LEU A 196 ? 0.3695 0.3595 0.3432 -0.0433 -0.0159 0.0319 194 LEU A CD2 1496 N N . PHE A 197 ? 0.3289 0.3077 0.2735 -0.0395 -0.0140 0.0261 195 PHE A N 1497 C CA . PHE A 197 ? 0.3647 0.3421 0.3038 -0.0397 -0.0133 0.0255 195 PHE A CA 1498 C C . PHE A 197 ? 0.3592 0.3443 0.2963 -0.0398 -0.0131 0.0265 195 PHE A C 1499 O O . PHE A 197 ? 0.3488 0.3399 0.2863 -0.0404 -0.0128 0.0271 195 PHE A O 1500 C CB . PHE A 197 ? 0.4829 0.4580 0.4228 -0.0415 -0.0100 0.0223 195 PHE A CB 1501 C CG . PHE A 197 ? 0.4930 0.4752 0.4353 -0.0446 -0.0071 0.0175 195 PHE A CG 1502 C CD1 . PHE A 197 ? 0.4801 0.4669 0.4242 -0.0444 -0.0061 0.0163 195 PHE A CD1 1503 C CD2 . PHE A 197 ? 0.4658 0.4498 0.4082 -0.0485 -0.0048 0.0135 195 PHE A CD2 1504 C CE1 . PHE A 197 ? 0.4122 0.4043 0.3548 -0.0471 -0.0031 0.0109 195 PHE A CE1 1505 C CE2 . PHE A 197 ? 0.3400 0.3296 0.2827 -0.0521 -0.0031 0.0074 195 PHE A CE2 1506 C CZ . PHE A 197 ? 0.4382 0.4313 0.3793 -0.0510 -0.0023 0.0058 195 PHE A CZ 1507 N N . GLY A 198 ? 0.3785 0.3633 0.3131 -0.0385 -0.0131 0.0273 196 GLY A N 1508 C CA . GLY A 198 ? 0.3101 0.3030 0.2449 -0.0368 -0.0136 0.0289 196 GLY A CA 1509 C C . GLY A 198 ? 0.3565 0.3513 0.2922 -0.0352 -0.0118 0.0286 196 GLY A C 1510 O O . GLY A 198 ? 0.4133 0.4008 0.3466 -0.0356 -0.0095 0.0278 196 GLY A O 1511 N N . GLU A 199 ? 0.3886 0.3941 0.3278 -0.0329 -0.0125 0.0298 197 GLU A N 1512 C CA . GLU A 199 ? 0.3968 0.4080 0.3408 -0.0310 -0.0098 0.0294 197 GLU A CA 1513 C C . GLU A 199 ? 0.4991 0.5112 0.4439 -0.0237 -0.0106 0.0331 197 GLU A C 1514 O O . GLU A 199 ? 0.4159 0.4304 0.3601 -0.0209 -0.0142 0.0365 197 GLU A O 1515 C CB . GLU A 199 ? 0.3365 0.3637 0.2893 -0.0356 -0.0097 0.0262 197 GLU A CB 1516 C CG . GLU A 199 ? 0.3914 0.4273 0.3532 -0.0354 -0.0055 0.0254 197 GLU A CG 1517 C CD . GLU A 199 ? 0.4150 0.4672 0.3859 -0.0298 -0.0081 0.0276 197 GLU A CD 1518 O OE1 . GLU A 199 ? 0.4880 0.5438 0.4563 -0.0263 -0.0139 0.0304 197 GLU A OE1 1519 O OE2 . GLU A 199 ? 0.4072 0.4689 0.3883 -0.0283 -0.0040 0.0273 197 GLU A OE2 1520 N N . SER A 200 ? 0.4594 0.4678 0.4044 -0.0201 -0.0063 0.0327 198 SER A N 1521 C CA . SER A 200 ? 0.3934 0.4004 0.3398 -0.0119 -0.0055 0.0351 198 SER A CA 1522 C C . SER A 200 ? 0.4162 0.4068 0.3540 -0.0095 -0.0084 0.0374 198 SER A C 1523 O O . SER A 200 ? 0.4150 0.3912 0.3442 -0.0120 -0.0081 0.0351 198 SER A O 1524 C CB . SER A 200 ? 0.4518 0.4784 0.4104 -0.0082 -0.0078 0.0376 198 SER A CB 1525 O OG . SER A 200 ? 0.5736 0.6032 0.5387 -0.0001 -0.0038 0.0384 198 SER A OG 1526 N N . ALA A 201 ? 0.3291 0.3220 0.2695 -0.0053 -0.0114 0.0421 199 ALA A N 1527 C CA . ALA A 201 ? 0.3511 0.3277 0.2850 -0.0045 -0.0132 0.0449 199 ALA A CA 1528 C C . ALA A 201 ? 0.4245 0.3979 0.3546 -0.0124 -0.0155 0.0443 199 ALA A C 1529 O O . ALA A 201 ? 0.4960 0.4558 0.4223 -0.0145 -0.0163 0.0444 199 ALA A O 1530 C CB . ALA A 201 ? 0.3311 0.3094 0.2677 0.0023 -0.0151 0.0520 199 ALA A CB 1531 N N . GLY A 202 ? 0.4493 0.4358 0.3820 -0.0169 -0.0162 0.0428 200 GLY A N 1532 C CA . GLY A 202 ? 0.3497 0.3346 0.2806 -0.0233 -0.0169 0.0410 200 GLY A CA 1533 C C . GLY A 202 ? 0.3682 0.3427 0.2964 -0.0255 -0.0164 0.0371 200 GLY A C 1534 O O . GLY A 202 ? 0.4546 0.4220 0.3820 -0.0283 -0.0180 0.0368 200 GLY A O 1535 N N . ALA A 203 ? 0.3979 0.3725 0.3249 -0.0241 -0.0141 0.0346 201 ALA A N 1536 C CA . ALA A 203 ? 0.4140 0.3779 0.3345 -0.0251 -0.0138 0.0319 201 ALA A CA 1537 C C . ALA A 203 ? 0.4479 0.3979 0.3619 -0.0227 -0.0157 0.0312 201 ALA A C 1538 O O . ALA A 203 ? 0.4602 0.4019 0.3699 -0.0252 -0.0192 0.0295 201 ALA A O 1539 C CB . ALA A 203 ? 0.3198 0.2867 0.2388 -0.0247 -0.0092 0.0303 201 ALA A CB 1540 N N . ALA A 204 ? 0.3847 0.3320 0.2987 -0.0178 -0.0138 0.0320 202 ALA A N 1541 C CA . ALA A 204 ? 0.3679 0.2993 0.2762 -0.0161 -0.0153 0.0304 202 ALA A CA 1542 C C . ALA A 204 ? 0.3506 0.2776 0.2623 -0.0213 -0.0198 0.0319 202 ALA A C 1543 O O . ALA A 204 ? 0.4465 0.3626 0.3543 -0.0243 -0.0233 0.0285 202 ALA A O 1544 C CB . ALA A 204 ? 0.3892 0.3176 0.2993 -0.0090 -0.0119 0.0320 202 ALA A CB 1545 N N . SER A 205 ? 0.3071 0.2438 0.2262 -0.0228 -0.0196 0.0366 203 SER A N 1546 C CA . SER A 205 ? 0.3558 0.2913 0.2798 -0.0281 -0.0217 0.0387 203 SER A CA 1547 C C . SER A 205 ? 0.4807 0.4185 0.4067 -0.0330 -0.0249 0.0352 203 SER A C 1548 O O . SER A 205 ? 0.4398 0.3718 0.3692 -0.0371 -0.0281 0.0339 203 SER A O 1549 C CB . SER A 205 ? 0.3280 0.2752 0.2561 -0.0285 -0.0196 0.0443 203 SER A CB 1550 O OG . SER A 205 ? 0.3894 0.3353 0.3159 -0.0232 -0.0182 0.0493 203 SER A OG 1551 N N . VAL A 206 ? 0.4476 0.3941 0.3733 -0.0327 -0.0241 0.0340 204 VAL A N 1552 C CA . VAL A 206 ? 0.4449 0.3931 0.3729 -0.0354 -0.0272 0.0318 204 VAL A CA 1553 C C . VAL A 206 ? 0.3642 0.3017 0.2857 -0.0355 -0.0322 0.0284 204 VAL A C 1554 O O . VAL A 206 ? 0.4656 0.4030 0.3920 -0.0385 -0.0374 0.0272 204 VAL A O 1555 C CB . VAL A 206 ? 0.4375 0.3919 0.3641 -0.0343 -0.0248 0.0311 204 VAL A CB 1556 C CG1 . VAL A 206 ? 0.2780 0.2304 0.2052 -0.0349 -0.0284 0.0299 204 VAL A CG1 1557 C CG2 . VAL A 206 ? 0.3185 0.2837 0.2511 -0.0356 -0.0212 0.0323 204 VAL A CG2 1558 N N . SER A 207 ? 0.3939 0.3234 0.3044 -0.0320 -0.0308 0.0265 205 SER A N 1559 C CA . SER A 207 ? 0.3480 0.2662 0.2474 -0.0318 -0.0353 0.0221 205 SER A CA 1560 C C . SER A 207 ? 0.4687 0.3789 0.3714 -0.0354 -0.0398 0.0195 205 SER A C 1561 O O . SER A 207 ? 0.5113 0.4156 0.4092 -0.0379 -0.0467 0.0152 205 SER A O 1562 C CB . SER A 207 ? 0.3526 0.2638 0.2383 -0.0269 -0.0306 0.0200 205 SER A CB 1563 O OG . SER A 207 ? 0.4550 0.3610 0.3413 -0.0238 -0.0263 0.0196 205 SER A OG 1564 N N . LEU A 208 ? 0.4176 0.3270 0.3281 -0.0360 -0.0362 0.0224 206 LEU A N 1565 C CA . LEU A 208 ? 0.4189 0.3189 0.3345 -0.0407 -0.0388 0.0210 206 LEU A CA 1566 C C . LEU A 208 ? 0.5110 0.4204 0.4412 -0.0476 -0.0429 0.0222 206 LEU A C 1567 O O . LEU A 208 ? 0.4358 0.3396 0.3709 -0.0535 -0.0481 0.0185 206 LEU A O 1568 C CB . LEU A 208 ? 0.4182 0.3123 0.3361 -0.0381 -0.0328 0.0255 206 LEU A CB 1569 C CG . LEU A 208 ? 0.4929 0.3745 0.3999 -0.0313 -0.0295 0.0228 206 LEU A CG 1570 C CD1 . LEU A 208 ? 0.4637 0.3426 0.3749 -0.0267 -0.0242 0.0294 206 LEU A CD1 1571 C CD2 . LEU A 208 ? 0.5783 0.4416 0.4773 -0.0339 -0.0334 0.0146 206 LEU A CD2 1572 N N . HIS A 209 ? 0.3568 0.2808 0.2947 -0.0471 -0.0402 0.0264 207 HIS A N 1573 C CA . HIS A 209 ? 0.3920 0.3268 0.3450 -0.0522 -0.0430 0.0270 207 HIS A CA 1574 C C . HIS A 209 ? 0.4662 0.4031 0.4193 -0.0529 -0.0521 0.0224 207 HIS A C 1575 O O . HIS A 209 ? 0.4474 0.3915 0.4147 -0.0578 -0.0571 0.0212 207 HIS A O 1576 C CB . HIS A 209 ? 0.4067 0.3552 0.3666 -0.0508 -0.0372 0.0313 207 HIS A CB 1577 C CG . HIS A 209 ? 0.3929 0.3419 0.3538 -0.0514 -0.0299 0.0365 207 HIS A CG 1578 N ND1 . HIS A 209 ? 0.4435 0.3935 0.4149 -0.0568 -0.0271 0.0398 207 HIS A ND1 1579 C CD2 . HIS A 209 ? 0.3782 0.3276 0.3307 -0.0471 -0.0253 0.0397 207 HIS A CD2 1580 C CE1 . HIS A 209 ? 0.4728 0.4222 0.4392 -0.0553 -0.0207 0.0455 207 HIS A CE1 1581 N NE2 . HIS A 209 ? 0.4746 0.4244 0.4298 -0.0491 -0.0205 0.0453 207 HIS A NE2 1582 N N . LEU A 210 ? 0.4289 0.3604 0.3663 -0.0480 -0.0544 0.0202 208 LEU A N 1583 C CA . LEU A 210 ? 0.3449 0.2759 0.2772 -0.0479 -0.0641 0.0166 208 LEU A CA 1584 C C . LEU A 210 ? 0.4706 0.3928 0.4012 -0.0533 -0.0719 0.0103 208 LEU A C 1585 O O . LEU A 210 ? 0.5304 0.4576 0.4650 -0.0558 -0.0822 0.0072 208 LEU A O 1586 C CB . LEU A 210 ? 0.3482 0.2731 0.2607 -0.0417 -0.0632 0.0167 208 LEU A CB 1587 C CG . LEU A 210 ? 0.4369 0.3695 0.3521 -0.0377 -0.0573 0.0219 208 LEU A CG 1588 C CD1 . LEU A 210 ? 0.3251 0.2500 0.2217 -0.0332 -0.0538 0.0226 208 LEU A CD1 1589 C CD2 . LEU A 210 ? 0.4695 0.4125 0.3975 -0.0373 -0.0626 0.0240 208 LEU A CD2 1590 N N . LEU A 211 ? 0.5101 0.4194 0.4356 -0.0549 -0.0674 0.0082 209 LEU A N 1591 C CA . LEU A 211 ? 0.5670 0.4636 0.4897 -0.0606 -0.0733 0.0009 209 LEU A CA 1592 C C . LEU A 211 ? 0.5392 0.4386 0.4835 -0.0696 -0.0737 0.0014 209 LEU A C 1593 O O . LEU A 211 ? 0.6066 0.4997 0.5543 -0.0769 -0.0811 -0.0053 209 LEU A O 1594 C CB . LEU A 211 ? 0.5653 0.4429 0.4714 -0.0568 -0.0671 -0.0021 209 LEU A CB 1595 C CG . LEU A 211 ? 0.6482 0.5207 0.5325 -0.0486 -0.0643 -0.0036 209 LEU A CG 1596 C CD1 . LEU A 211 ? 0.5548 0.4087 0.4269 -0.0453 -0.0583 -0.0081 209 LEU A CD1 1597 C CD2 . LEU A 211 ? 0.6118 0.4851 0.4829 -0.0488 -0.0742 -0.0084 209 LEU A CD2 1598 N N . SER A 212 ? 0.5109 0.4187 0.4686 -0.0698 -0.0651 0.0092 210 SER A N 1599 C CA . SER A 212 ? 0.5193 0.4280 0.4958 -0.0784 -0.0624 0.0114 210 SER A CA 1600 C C . SER A 212 ? 0.5734 0.5020 0.5725 -0.0845 -0.0674 0.0116 210 SER A C 1601 O O . SER A 212 ? 0.6528 0.5976 0.6598 -0.0807 -0.0642 0.0164 210 SER A O 1602 C CB . SER A 212 ? 0.5284 0.4356 0.5058 -0.0757 -0.0504 0.0203 210 SER A CB 1603 O OG . SER A 212 ? 0.7040 0.6111 0.6977 -0.0842 -0.0463 0.0240 210 SER A OG 1604 N N . PRO A 213 ? 0.7120 0.6398 0.7231 -0.0939 -0.0751 0.0057 211 PRO A N 1605 C CA . PRO A 213 ? 0.7105 0.6594 0.7474 -0.1004 -0.0814 0.0047 211 PRO A CA 1606 C C . PRO A 213 ? 0.6260 0.5907 0.6835 -0.1018 -0.0702 0.0132 211 PRO A C 1607 O O . PRO A 213 ? 0.7192 0.7055 0.7947 -0.1009 -0.0722 0.0144 211 PRO A O 1608 C CB . PRO A 213 ? 0.6899 0.6298 0.7361 -0.1127 -0.0883 -0.0029 211 PRO A CB 1609 C CG . PRO A 213 ? 0.6973 0.6111 0.7156 -0.1097 -0.0903 -0.0090 211 PRO A CG 1610 C CD . PRO A 213 ? 0.7528 0.6583 0.7548 -0.0994 -0.0780 -0.0012 211 PRO A CD 1611 N N . GLY A 214 ? 0.5825 0.5364 0.6362 -0.1031 -0.0581 0.0192 212 GLY A N 1612 C CA . GLY A 214 ? 0.4970 0.4634 0.5636 -0.1037 -0.0461 0.0275 212 GLY A CA 1613 C C . GLY A 214 ? 0.5128 0.4903 0.5714 -0.0931 -0.0417 0.0310 212 GLY A C 1614 O O . GLY A 214 ? 0.4799 0.4721 0.5507 -0.0930 -0.0334 0.0355 212 GLY A O 1615 N N . SER A 215 ? 0.3582 0.3282 0.3963 -0.0847 -0.0462 0.0286 213 SER A N 1616 C CA . SER A 215 ? 0.4406 0.4188 0.4714 -0.0759 -0.0422 0.0311 213 SER A CA 1617 C C . SER A 215 ? 0.4492 0.4403 0.4881 -0.0722 -0.0501 0.0278 213 SER A C 1618 O O . SER A 215 ? 0.5154 0.5154 0.5557 -0.0665 -0.0459 0.0296 213 SER A O 1619 C CB . SER A 215 ? 0.4392 0.4035 0.4455 -0.0690 -0.0409 0.0315 213 SER A CB 1620 O OG . SER A 215 ? 0.5205 0.4749 0.5199 -0.0699 -0.0333 0.0362 213 SER A OG 1621 N N . HIS A 216 ? 0.5135 0.5048 0.5575 -0.0755 -0.0618 0.0228 214 HIS A N 1622 C CA A HIS A 216 ? 0.5324 0.5328 0.5785 -0.0702 -0.0718 0.0206 214 HIS A CA 1623 C CA B HIS A 216 ? 0.5230 0.5244 0.5713 -0.0710 -0.0725 0.0203 214 HIS A CA 1624 C C . HIS A 216 ? 0.5371 0.5573 0.6039 -0.0663 -0.0686 0.0235 214 HIS A C 1625 O O . HIS A 216 ? 0.5341 0.5565 0.5956 -0.0581 -0.0716 0.0243 214 HIS A O 1626 C CB A HIS A 216 ? 0.5034 0.5031 0.5519 -0.0750 -0.0864 0.0145 214 HIS A CB 1627 C CB B HIS A 216 ? 0.4742 0.4794 0.5339 -0.0783 -0.0854 0.0146 214 HIS A CB 1628 C CG A HIS A 216 ? 0.5268 0.5059 0.5476 -0.0739 -0.0912 0.0102 214 HIS A CG 1629 C CG B HIS A 216 ? 0.4029 0.4177 0.4641 -0.0732 -0.0992 0.0124 214 HIS A CG 1630 N ND1 A HIS A 216 ? 0.4267 0.4017 0.4406 -0.0767 -0.1049 0.0033 214 HIS A ND1 1631 N ND1 B HIS A 216 ? 0.3353 0.3374 0.3703 -0.0679 -0.1074 0.0101 214 HIS A ND1 1632 C CD2 A HIS A 216 ? 0.4688 0.4310 0.4671 -0.0700 -0.0837 0.0112 214 HIS A CD2 1633 C CD2 B HIS A 216 ? 0.3772 0.4135 0.4627 -0.0721 -0.1061 0.0130 214 HIS A CD2 1634 C CE1 A HIS A 216 ? 0.3720 0.3270 0.3590 -0.0744 -0.1043 0.0001 214 HIS A CE1 1635 C CE1 B HIS A 216 ? 0.2715 0.2856 0.3123 -0.0635 -0.1194 0.0101 214 HIS A CE1 1636 N NE2 A HIS A 216 ? 0.5783 0.5262 0.5572 -0.0701 -0.0914 0.0051 214 HIS A NE2 1637 N NE2 B HIS A 216 ? 0.3236 0.3591 0.3962 -0.0655 -0.1195 0.0118 214 HIS A NE2 1638 N N . SER A 217 ? 0.4930 0.5261 0.5823 -0.0716 -0.0611 0.0253 215 SER A N 1639 C CA . SER A 217 ? 0.4321 0.4842 0.5417 -0.0669 -0.0566 0.0272 215 SER A CA 1640 C C . SER A 217 ? 0.4495 0.5007 0.5530 -0.0634 -0.0412 0.0305 215 SER A C 1641 O O . SER A 217 ? 0.4219 0.4878 0.5428 -0.0609 -0.0339 0.0313 215 SER A O 1642 C CB . SER A 217 ? 0.5215 0.5937 0.6644 -0.0741 -0.0582 0.0264 215 SER A CB 1643 O OG . SER A 217 ? 0.6206 0.6914 0.7694 -0.0830 -0.0464 0.0288 215 SER A OG 1644 N N . LEU A 218 ? 0.4291 0.4639 0.5080 -0.0629 -0.0363 0.0318 216 LEU A N 1645 C CA . LEU A 218 ? 0.3906 0.4251 0.4615 -0.0604 -0.0234 0.0341 216 LEU A CA 1646 C C . LEU A 218 ? 0.4247 0.4514 0.4776 -0.0524 -0.0237 0.0328 216 LEU A C 1647 O O . LEU A 218 ? 0.4114 0.4365 0.4546 -0.0504 -0.0150 0.0332 216 LEU A O 1648 C CB . LEU A 218 ? 0.4202 0.4448 0.4792 -0.0658 -0.0168 0.0377 216 LEU A CB 1649 C CG . LEU A 218 ? 0.3787 0.4044 0.4523 -0.0753 -0.0168 0.0395 216 LEU A CG 1650 C CD1 . LEU A 218 ? 0.3570 0.3667 0.4145 -0.0788 -0.0123 0.0438 216 LEU A CD1 1651 C CD2 . LEU A 218 ? 0.3437 0.3874 0.4413 -0.0791 -0.0080 0.0413 216 LEU A CD2 1652 N N . PHE A 219 ? 0.3882 0.4098 0.4359 -0.0484 -0.0337 0.0311 217 PHE A N 1653 C CA . PHE A 219 ? 0.4503 0.4643 0.4838 -0.0417 -0.0332 0.0305 217 PHE A CA 1654 C C . PHE A 219 ? 0.4085 0.4214 0.4437 -0.0363 -0.0434 0.0304 217 PHE A C 1655 O O . PHE A 219 ? 0.3948 0.4135 0.4400 -0.0380 -0.0526 0.0301 217 PHE A O 1656 C CB . PHE A 219 ? 0.4163 0.4169 0.4272 -0.0425 -0.0310 0.0308 217 PHE A CB 1657 C CG . PHE A 219 ? 0.4539 0.4442 0.4534 -0.0440 -0.0391 0.0304 217 PHE A CG 1658 C CD1 . PHE A 219 ? 0.4230 0.4116 0.4260 -0.0497 -0.0415 0.0303 217 PHE A CD1 1659 C CD2 . PHE A 219 ? 0.4168 0.3975 0.4010 -0.0400 -0.0429 0.0300 217 PHE A CD2 1660 C CE1 . PHE A 219 ? 0.3641 0.3410 0.3550 -0.0507 -0.0483 0.0283 217 PHE A CE1 1661 C CE2 . PHE A 219 ? 0.4010 0.3717 0.3724 -0.0408 -0.0486 0.0288 217 PHE A CE2 1662 C CZ . PHE A 219 ? 0.4315 0.4000 0.4059 -0.0459 -0.0517 0.0273 217 PHE A CZ 1663 N N . THR A 220 ? 0.4255 0.4311 0.4509 -0.0303 -0.0420 0.0308 218 THR A N 1664 C CA . THR A 220 ? 0.3479 0.3508 0.3729 -0.0239 -0.0505 0.0327 218 THR A CA 1665 C C . THR A 220 ? 0.4180 0.4049 0.4182 -0.0232 -0.0543 0.0339 218 THR A C 1666 O O . THR A 220 ? 0.4398 0.4236 0.4331 -0.0220 -0.0644 0.0350 218 THR A O 1667 C CB . THR A 220 ? 0.5040 0.5079 0.5376 -0.0168 -0.0448 0.0333 218 THR A CB 1668 O OG1 . THR A 220 ? 0.6003 0.6183 0.6542 -0.0175 -0.0373 0.0312 218 THR A OG1 1669 C CG2 . THR A 220 ? 0.3430 0.3463 0.3809 -0.0088 -0.0546 0.0371 218 THR A CG2 1670 N N . ARG A 221 ? 0.3821 0.3603 0.3693 -0.0243 -0.0460 0.0333 219 ARG A N 1671 C CA . ARG A 221 ? 0.4640 0.4285 0.4304 -0.0234 -0.0463 0.0347 219 ARG A CA 1672 C C . ARG A 221 ? 0.4398 0.4013 0.3968 -0.0278 -0.0394 0.0327 219 ARG A C 1673 O O . ARG A 221 ? 0.5135 0.4822 0.4778 -0.0311 -0.0350 0.0310 219 ARG A O 1674 C CB . ARG A 221 ? 0.4500 0.4067 0.4135 -0.0184 -0.0429 0.0372 219 ARG A CB 1675 C CG . ARG A 221 ? 0.5981 0.5537 0.5647 -0.0118 -0.0512 0.0414 219 ARG A CG 1676 C CD . ARG A 221 ? 0.5337 0.4766 0.4942 -0.0070 -0.0467 0.0451 219 ARG A CD 1677 N NE . ARG A 221 ? 0.5872 0.5344 0.5654 -0.0038 -0.0413 0.0434 219 ARG A NE 1678 C CZ . ARG A 221 ? 0.5340 0.4876 0.5278 0.0034 -0.0462 0.0458 219 ARG A CZ 1679 N NH1 . ARG A 221 ? 0.4365 0.3939 0.4298 0.0073 -0.0585 0.0502 219 ARG A NH1 1680 N NH2 . ARG A 221 ? 0.5230 0.4798 0.5328 0.0068 -0.0392 0.0432 219 ARG A NH2 1681 N N . ALA A 222 ? 0.3726 0.3245 0.3138 -0.0275 -0.0378 0.0336 220 ALA A N 1682 C CA . ALA A 222 ? 0.3649 0.3160 0.2989 -0.0306 -0.0334 0.0320 220 ALA A CA 1683 C C . ALA A 222 ? 0.3576 0.3020 0.2805 -0.0302 -0.0281 0.0328 220 ALA A C 1684 O O . ALA A 222 ? 0.4221 0.3578 0.3341 -0.0280 -0.0294 0.0351 220 ALA A O 1685 C CB . ALA A 222 ? 0.3784 0.3269 0.3069 -0.0316 -0.0387 0.0310 220 ALA A CB 1686 N N . ILE A 223 ? 0.3412 0.2906 0.2669 -0.0328 -0.0220 0.0310 221 ILE A N 1687 C CA . ILE A 223 ? 0.4635 0.4102 0.3830 -0.0340 -0.0164 0.0311 221 ILE A CA 1688 C C . ILE A 223 ? 0.4467 0.3988 0.3645 -0.0345 -0.0146 0.0301 221 ILE A C 1689 O O . ILE A 223 ? 0.4588 0.4188 0.3827 -0.0355 -0.0150 0.0289 221 ILE A O 1690 C CB . ILE A 223 ? 0.4089 0.3587 0.3356 -0.0369 -0.0113 0.0289 221 ILE A CB 1691 C CG1 . ILE A 223 ? 0.3500 0.2923 0.2795 -0.0350 -0.0118 0.0300 221 ILE A CG1 1692 C CG2 . ILE A 223 ? 0.2536 0.2033 0.1776 -0.0399 -0.0056 0.0285 221 ILE A CG2 1693 C CD1 . ILE A 223 ? 0.3557 0.2995 0.2930 -0.0378 -0.0069 0.0257 221 ILE A CD1 1694 N N . LEU A 224 ? 0.4322 0.3797 0.3413 -0.0333 -0.0120 0.0309 222 LEU A N 1695 C CA . LEU A 224 ? 0.4207 0.3722 0.3288 -0.0318 -0.0100 0.0301 222 LEU A CA 1696 C C . LEU A 224 ? 0.3965 0.3542 0.3074 -0.0331 -0.0031 0.0299 222 LEU A C 1697 O O . LEU A 224 ? 0.4424 0.3942 0.3459 -0.0328 0.0015 0.0311 222 LEU A O 1698 C CB . LEU A 224 ? 0.4733 0.4144 0.3690 -0.0284 -0.0123 0.0298 222 LEU A CB 1699 C CG . LEU A 224 ? 0.5000 0.4365 0.3952 -0.0281 -0.0198 0.0287 222 LEU A CG 1700 C CD1 . LEU A 224 ? 0.4750 0.4090 0.3705 -0.0291 -0.0253 0.0299 222 LEU A CD1 1701 C CD2 . LEU A 224 ? 0.5400 0.4667 0.4232 -0.0255 -0.0209 0.0262 222 LEU A CD2 1702 N N . GLN A 225 ? 0.4074 0.3779 0.3291 -0.0348 -0.0022 0.0286 223 GLN A N 1703 C CA . GLN A 225 ? 0.3878 0.3680 0.3164 -0.0370 0.0035 0.0277 223 GLN A CA 1704 C C . GLN A 225 ? 0.4419 0.4298 0.3737 -0.0321 0.0052 0.0281 223 GLN A C 1705 O O . GLN A 225 ? 0.5036 0.4983 0.4399 -0.0292 0.0012 0.0285 223 GLN A O 1706 C CB . GLN A 225 ? 0.3931 0.3842 0.3323 -0.0424 0.0024 0.0250 223 GLN A CB 1707 C CG . GLN A 225 ? 0.3924 0.3738 0.3292 -0.0460 0.0019 0.0238 223 GLN A CG 1708 C CD . GLN A 225 ? 0.4773 0.4672 0.4215 -0.0508 0.0005 0.0192 223 GLN A CD 1709 O OE1 . GLN A 225 ? 0.4842 0.4676 0.4270 -0.0517 -0.0004 0.0175 223 GLN A OE1 1710 N NE2 . GLN A 225 ? 0.4946 0.4998 0.4465 -0.0533 0.0001 0.0166 223 GLN A NE2 1711 N N . SER A 226 ? 0.4296 0.4152 0.3580 -0.0304 0.0120 0.0286 224 SER A N 1712 C CA . SER A 226 ? 0.4159 0.4090 0.3490 -0.0246 0.0158 0.0284 224 SER A CA 1713 C C . SER A 226 ? 0.4972 0.4839 0.4256 -0.0179 0.0110 0.0286 224 SER A C 1714 O O . SER A 226 ? 0.4618 0.4585 0.4000 -0.0139 0.0090 0.0295 224 SER A O 1715 C CB . SER A 226 ? 0.3492 0.3644 0.3016 -0.0265 0.0168 0.0278 224 SER A CB 1716 O OG . SER A 226 ? 0.4222 0.4423 0.3807 -0.0347 0.0207 0.0267 224 SER A OG 1717 N N . GLY A 227 ? 0.5026 0.4720 0.4163 -0.0167 0.0088 0.0279 225 GLY A N 1718 C CA . GLY A 227 ? 0.4433 0.4041 0.3533 -0.0122 0.0046 0.0274 225 GLY A CA 1719 C C . GLY A 227 ? 0.5602 0.5040 0.4561 -0.0138 0.0000 0.0257 225 GLY A C 1720 O O . GLY A 227 ? 0.5410 0.4826 0.4331 -0.0183 -0.0029 0.0262 225 GLY A O 1721 N N . SER A 228 ? 0.4290 0.3609 0.3180 -0.0099 -0.0010 0.0232 226 SER A N 1722 C CA . SER A 228 ? 0.3751 0.2920 0.2526 -0.0120 -0.0071 0.0202 226 SER A CA 1723 C C . SER A 228 ? 0.4614 0.3662 0.3363 -0.0080 -0.0071 0.0171 226 SER A C 1724 O O . SER A 228 ? 0.4250 0.3304 0.3022 -0.0016 -0.0008 0.0167 226 SER A O 1725 C CB . SER A 228 ? 0.4322 0.3415 0.2929 -0.0123 -0.0056 0.0178 226 SER A CB 1726 O OG . SER A 228 ? 0.4179 0.3268 0.2732 -0.0072 0.0038 0.0161 226 SER A OG 1727 N N . PHE A 229 ? 0.4825 0.3761 0.3540 -0.0117 -0.0140 0.0147 227 PHE A N 1728 C CA . PHE A 229 ? 0.4814 0.3605 0.3521 -0.0095 -0.0142 0.0118 227 PHE A CA 1729 C C . PHE A 229 ? 0.6027 0.4684 0.4599 -0.0033 -0.0086 0.0053 227 PHE A C 1730 O O . PHE A 229 ? 0.6119 0.4656 0.4701 0.0011 -0.0059 0.0032 227 PHE A O 1731 C CB . PHE A 229 ? 0.4864 0.3562 0.3575 -0.0167 -0.0225 0.0095 227 PHE A CB 1732 C CG . PHE A 229 ? 0.6158 0.4795 0.4731 -0.0205 -0.0286 0.0033 227 PHE A CG 1733 C CD1 . PHE A 229 ? 0.6921 0.5401 0.5316 -0.0181 -0.0280 -0.0049 227 PHE A CD1 1734 C CD2 . PHE A 229 ? 0.7140 0.5876 0.5753 -0.0257 -0.0352 0.0055 227 PHE A CD2 1735 C CE1 . PHE A 229 ? 0.6964 0.5394 0.5201 -0.0212 -0.0350 -0.0104 227 PHE A CE1 1736 C CE2 . PHE A 229 ? 0.8003 0.6696 0.6488 -0.0280 -0.0425 0.0009 227 PHE A CE2 1737 C CZ . PHE A 229 ? 0.6928 0.5470 0.5214 -0.0260 -0.0429 -0.0069 227 PHE A CZ 1738 N N . ASN A 230 ? 0.4885 0.3549 0.3320 -0.0026 -0.0059 0.0022 228 ASN A N 1739 C CA . ASN A 230 ? 0.4624 0.3155 0.2890 0.0030 0.0004 -0.0051 228 ASN A CA 1740 C C . ASN A 230 ? 0.5179 0.3806 0.3514 0.0112 0.0123 -0.0029 228 ASN A C 1741 O O . ASN A 230 ? 0.5650 0.4193 0.3862 0.0170 0.0203 -0.0086 228 ASN A O 1742 C CB . ASN A 230 ? 0.4088 0.2565 0.2134 0.0000 -0.0021 -0.0091 228 ASN A CB 1743 C CG . ASN A 230 ? 0.5118 0.3749 0.3179 -0.0009 0.0018 -0.0023 228 ASN A CG 1744 O OD1 . ASN A 230 ? 0.4633 0.3406 0.2868 -0.0039 -0.0002 0.0044 228 ASN A OD1 1745 N ND2 . ASN A 230 ? 0.4930 0.3520 0.2799 0.0015 0.0083 -0.0042 228 ASN A ND2 1746 N N . ALA A 231 ? 0.4418 0.3232 0.2950 0.0115 0.0134 0.0047 229 ALA A N 1747 C CA . ALA A 231 ? 0.4830 0.3774 0.3489 0.0192 0.0227 0.0071 229 ALA A CA 1748 C C . ALA A 231 ? 0.5598 0.4425 0.4299 0.0277 0.0250 0.0049 229 ALA A C 1749 O O . ALA A 231 ? 0.5587 0.4289 0.4290 0.0256 0.0182 0.0052 229 ALA A O 1750 C CB . ALA A 231 ? 0.3062 0.2230 0.1916 0.0164 0.0204 0.0147 229 ALA A CB 1751 N N . PRO A 232 ? 0.5563 0.4424 0.4307 0.0375 0.0354 0.0031 230 PRO A N 1752 C CA . PRO A 232 ? 0.5880 0.4585 0.4641 0.0474 0.0390 0.0000 230 PRO A CA 1753 C C . PRO A 232 ? 0.6085 0.4812 0.5015 0.0500 0.0327 0.0079 230 PRO A C 1754 O O . PRO A 232 ? 0.6352 0.4877 0.5262 0.0551 0.0329 0.0061 230 PRO A O 1755 C CB . PRO A 232 ? 0.4707 0.3527 0.3547 0.0581 0.0520 -0.0016 230 PRO A CB 1756 C CG . PRO A 232 ? 0.5379 0.4383 0.4204 0.0519 0.0561 -0.0003 230 PRO A CG 1757 C CD . PRO A 232 ? 0.4860 0.3919 0.3676 0.0399 0.0449 0.0045 230 PRO A CD 1758 N N . TRP A 233 ? 0.5403 0.4351 0.4474 0.0461 0.0274 0.0163 231 TRP A N 1759 C CA . TRP A 233 ? 0.4340 0.3337 0.3547 0.0490 0.0216 0.0252 231 TRP A CA 1760 C C . TRP A 233 ? 0.4336 0.3237 0.3487 0.0390 0.0127 0.0282 231 TRP A C 1761 O O . TRP A 233 ? 0.5811 0.4718 0.5035 0.0407 0.0087 0.0360 231 TRP A O 1762 C CB . TRP A 233 ? 0.4110 0.3420 0.3497 0.0505 0.0204 0.0320 231 TRP A CB 1763 C CG . TRP A 233 ? 0.4711 0.4182 0.4084 0.0400 0.0195 0.0303 231 TRP A CG 1764 C CD1 . TRP A 233 ? 0.4907 0.4498 0.4301 0.0395 0.0269 0.0267 231 TRP A CD1 1765 C CD2 . TRP A 233 ? 0.4576 0.4080 0.3911 0.0289 0.0121 0.0323 231 TRP A CD2 1766 N NE1 . TRP A 233 ? 0.4379 0.4058 0.3748 0.0287 0.0241 0.0269 231 TRP A NE1 1767 C CE2 . TRP A 233 ? 0.4437 0.4066 0.3772 0.0226 0.0149 0.0298 231 TRP A CE2 1768 C CE3 . TRP A 233 ? 0.4290 0.3729 0.3598 0.0238 0.0046 0.0362 231 TRP A CE3 1769 C CZ2 . TRP A 233 ? 0.3667 0.3342 0.2976 0.0126 0.0099 0.0306 231 TRP A CZ2 1770 C CZ3 . TRP A 233 ? 0.4139 0.3648 0.3427 0.0139 0.0002 0.0366 231 TRP A CZ3 1771 C CH2 . TRP A 233 ? 0.4167 0.3789 0.3457 0.0089 0.0025 0.0336 231 TRP A CH2 1772 N N . ALA A 234 ? 0.4901 0.3728 0.3929 0.0291 0.0098 0.0227 232 ALA A N 1773 C CA . ALA A 234 ? 0.4967 0.3786 0.3991 0.0191 0.0020 0.0260 232 ALA A CA 1774 C C . ALA A 234 ? 0.5927 0.4520 0.4922 0.0168 -0.0010 0.0261 232 ALA A C 1775 O O . ALA A 234 ? 0.6486 0.5099 0.5545 0.0133 -0.0045 0.0334 232 ALA A O 1776 C CB . ALA A 234 ? 0.3433 0.2289 0.2370 0.0101 -0.0009 0.0214 232 ALA A CB 1777 N N . VAL A 235 ? 0.5239 0.3611 0.4131 0.0180 0.0011 0.0178 233 VAL A N 1778 C CA . VAL A 235 ? 0.6049 0.4192 0.4918 0.0131 -0.0020 0.0161 233 VAL A CA 1779 C C . VAL A 235 ? 0.5978 0.3886 0.4823 0.0221 0.0037 0.0130 233 VAL A C 1780 O O . VAL A 235 ? 0.6064 0.3914 0.4832 0.0293 0.0093 0.0054 233 VAL A O 1781 C CB . VAL A 235 ? 0.6911 0.4977 0.5679 0.0018 -0.0081 0.0072 233 VAL A CB 1782 C CG1 . VAL A 235 ? 0.7564 0.5400 0.6339 -0.0048 -0.0112 0.0045 233 VAL A CG1 1783 C CG2 . VAL A 235 ? 0.5091 0.3375 0.3908 -0.0060 -0.0135 0.0114 233 VAL A CG2 1784 N N . THR A 236 ? 0.6563 0.4327 0.5472 0.0222 0.0033 0.0194 234 THR A N 1785 C CA . THR A 236 ? 0.6448 0.3945 0.5343 0.0310 0.0089 0.0173 234 THR A CA 1786 C C . THR A 236 ? 0.6467 0.3675 0.5275 0.0211 0.0066 0.0070 234 THR A C 1787 O O . THR A 236 ? 0.7254 0.4464 0.6087 0.0080 0.0005 0.0081 234 THR A O 1788 C CB . THR A 236 ? 0.7228 0.4716 0.6241 0.0386 0.0104 0.0320 234 THR A CB 1789 O OG1 . THR A 236 ? 0.6554 0.4305 0.5649 0.0496 0.0121 0.0390 234 THR A OG1 1790 C CG2 . THR A 236 ? 0.8523 0.5685 0.7526 0.0466 0.0159 0.0308 234 THR A CG2 1791 N N . SER A 237 ? 0.6492 0.3462 0.5203 0.0269 0.0115 -0.0042 235 SER A N 1792 C CA . SER A 237 ? 0.7550 0.4210 0.6183 0.0175 0.0092 -0.0150 235 SER A CA 1793 C C . SER A 237 ? 0.7560 0.4055 0.6312 0.0131 0.0090 -0.0048 235 SER A C 1794 O O . SER A 237 ? 0.7373 0.3908 0.6224 0.0225 0.0129 0.0092 235 SER A O 1795 C CB . SER A 237 ? 0.8153 0.4550 0.6660 0.0267 0.0164 -0.0282 235 SER A CB 1796 O OG . SER A 237 ? 0.9447 0.5640 0.8040 0.0379 0.0236 -0.0216 235 SER A OG 1797 N N . LEU A 238 ? 0.7405 0.3725 0.6147 -0.0015 0.0041 -0.0115 236 LEU A N 1798 C CA . LEU A 238 ? 0.7348 0.3497 0.6204 -0.0091 0.0047 -0.0025 236 LEU A CA 1799 C C . LEU A 238 ? 0.7515 0.3392 0.6399 0.0037 0.0135 0.0052 236 LEU A C 1800 O O . LEU A 238 ? 0.6803 0.2688 0.5784 0.0059 0.0159 0.0219 236 LEU A O 1801 C CB . LEU A 238 ? 0.7785 0.3765 0.6629 -0.0271 -0.0014 -0.0152 236 LEU A CB 1802 C CG . LEU A 238 ? 0.9389 0.5030 0.8306 -0.0362 0.0011 -0.0148 236 LEU A CG 1803 C CD1 . LEU A 238 ? 0.9357 0.5097 0.8432 -0.0424 0.0026 0.0035 236 LEU A CD1 1804 C CD2 . LEU A 238 ? 1.0279 0.5802 0.9160 -0.0529 -0.0068 -0.0329 236 LEU A CD2 1805 N N . TYR A 239 ? 0.7574 0.3216 0.6365 0.0134 0.0188 -0.0063 237 TYR A N 1806 C CA . TYR A 239 ? 0.8347 0.3695 0.7173 0.0268 0.0274 0.0000 237 TYR A CA 1807 C C . TYR A 239 ? 0.7818 0.3335 0.6695 0.0478 0.0327 0.0116 237 TYR A C 1808 O O . TYR A 239 ? 0.8791 0.4125 0.7731 0.0602 0.0384 0.0221 237 TYR A O 1809 C CB . TYR A 239 ? 0.9222 0.4175 0.7940 0.0271 0.0317 -0.0184 237 TYR A CB 1810 C CG . TYR A 239 ? 0.9590 0.4383 0.8373 0.0076 0.0268 -0.0239 237 TYR A CG 1811 C CD1 . TYR A 239 ? 0.9450 0.4131 0.8399 0.0051 0.0290 -0.0105 237 TYR A CD1 1812 C CD2 . TYR A 239 ? 0.8766 0.3565 0.7465 -0.0085 0.0191 -0.0417 237 TYR A CD2 1813 C CE1 . TYR A 239 ? 0.9966 0.4532 0.9014 -0.0132 0.0251 -0.0151 237 TYR A CE1 1814 C CE2 . TYR A 239 ? 1.0490 0.5201 0.9301 -0.0265 0.0141 -0.0467 237 TYR A CE2 1815 C CZ . TYR A 239 ? 1.0810 0.5399 0.9805 -0.0290 0.0178 -0.0336 237 TYR A CZ 1816 O OH . TYR A 239 ? 1.1205 0.5714 1.0337 -0.0471 0.0136 -0.0384 237 TYR A OH 1817 N N . GLU A 240 ? 0.7488 0.3352 0.6349 0.0520 0.0307 0.0096 238 GLU A N 1818 C CA . GLU A 240 ? 0.7593 0.3697 0.6543 0.0692 0.0339 0.0212 238 GLU A CA 1819 C C . GLU A 240 ? 0.7596 0.3886 0.6647 0.0661 0.0289 0.0407 238 GLU A C 1820 O O . GLU A 240 ? 0.7841 0.4167 0.6975 0.0797 0.0308 0.0552 238 GLU A O 1821 C CB . GLU A 240 ? 0.7157 0.3566 0.6067 0.0718 0.0339 0.0129 238 GLU A CB 1822 C CG . GLU A 240 ? 0.8899 0.5616 0.7934 0.0870 0.0362 0.0237 238 GLU A CG 1823 C CD . GLU A 240 ? 1.0508 0.7070 0.9628 0.1070 0.0440 0.0282 238 GLU A CD 1824 O OE1 . GLU A 240 ? 1.1235 0.7478 1.0281 0.1118 0.0510 0.0167 238 GLU A OE1 1825 O OE2 . GLU A 240 ? 1.0480 0.7237 0.9740 0.1185 0.0429 0.0428 238 GLU A OE2 1826 N N . ALA A 241 ? 0.6078 0.2479 0.5113 0.0487 0.0225 0.0408 239 ALA A N 1827 C CA . ALA A 241 ? 0.6393 0.2942 0.5493 0.0434 0.0188 0.0572 239 ALA A CA 1828 C C . ALA A 241 ? 0.7292 0.3532 0.6420 0.0461 0.0229 0.0697 239 ALA A C 1829 O O . ALA A 241 ? 0.7785 0.4097 0.6952 0.0564 0.0234 0.0863 239 ALA A O 1830 C CB . ALA A 241 ? 0.5121 0.1806 0.4210 0.0244 0.0129 0.0526 239 ALA A CB 1831 N N . ARG A 242 ? 0.7266 0.3160 0.6369 0.0367 0.0254 0.0618 240 ARG A N 1832 C CA . ARG A 242 ? 0.8130 0.3675 0.7258 0.0383 0.0306 0.0729 240 ARG A CA 1833 C C . ARG A 242 ? 0.7869 0.3374 0.7044 0.0597 0.0342 0.0808 240 ARG A C 1834 O O . ARG A 242 ? 0.9713 0.5234 0.8947 0.0650 0.0338 0.0973 240 ARG A O 1835 C CB . ARG A 242 ? 0.7810 0.3070 0.6955 0.0251 0.0313 0.0579 240 ARG A CB 1836 C CG . ARG A 242 ? 0.9267 0.4565 0.8447 0.0025 0.0272 0.0548 240 ARG A CG 1837 C CD . ARG A 242 ? 1.0197 0.5233 0.9429 -0.0095 0.0270 0.0405 240 ARG A CD 1838 N NE . ARG A 242 ? 0.9969 0.4771 0.9276 -0.0029 0.0315 0.0486 240 ARG A NE 1839 C CZ . ARG A 242 ? 1.0336 0.5091 0.9740 -0.0107 0.0322 0.0628 240 ARG A CZ 1840 N NH1 . ARG A 242 ? 0.9764 0.4715 0.9219 -0.0250 0.0300 0.0695 240 ARG A NH1 1841 N NH2 . ARG A 242 ? 1.1039 0.5549 1.0480 -0.0043 0.0354 0.0701 240 ARG A NH2 1842 N N . ASN A 243 ? 0.7599 0.3060 0.6740 0.0720 0.0375 0.0686 241 ASN A N 1843 C CA . ASN A 243 ? 0.8867 0.4326 0.8079 0.0935 0.0413 0.0742 241 ASN A CA 1844 C C . ASN A 243 ? 0.8874 0.4643 0.8149 0.1050 0.0375 0.0938 241 ASN A C 1845 O O . ASN A 243 ? 0.8259 0.4016 0.7610 0.1162 0.0368 0.1069 241 ASN A O 1846 C CB . ASN A 243 ? 0.9852 0.5295 0.9020 0.1043 0.0465 0.0573 241 ASN A CB 1847 C CG . ASN A 243 ? 1.2280 0.7566 1.1528 0.1212 0.0524 0.0554 241 ASN A CG 1848 O OD1 . ASN A 243 ? 1.2665 0.7741 1.1968 0.1209 0.0524 0.0618 241 ASN A OD1 1849 N ND2 . ASN A 243 ? 1.5656 1.1039 1.4913 0.1362 0.0581 0.0467 241 ASN A ND2 1850 N N . ARG A 244 ? 0.7924 0.4022 0.7176 0.1002 0.0329 0.0941 242 ARG A N 1851 C CA . ARG A 244 ? 0.7700 0.4147 0.7008 0.1081 0.0274 0.1097 242 ARG A CA 1852 C C . ARG A 244 ? 0.7873 0.4257 0.7158 0.1029 0.0248 0.1277 242 ARG A C 1853 O O . ARG A 244 ? 0.9122 0.5647 0.8451 0.1139 0.0210 0.1418 242 ARG A O 1854 C CB . ARG A 244 ? 0.7300 0.4150 0.6607 0.0983 0.0217 0.1021 242 ARG A CB 1855 C CG . ARG A 244 ? 0.7127 0.4138 0.6481 0.1070 0.0242 0.0891 242 ARG A CG 1856 C CD . ARG A 244 ? 0.7818 0.5144 0.7152 0.0954 0.0202 0.0800 242 ARG A CD 1857 N NE . ARG A 244 ? 0.8337 0.5715 0.7677 0.1008 0.0253 0.0655 242 ARG A NE 1858 C CZ . ARG A 244 ? 0.7105 0.4777 0.6455 0.0968 0.0239 0.0590 242 ARG A CZ 1859 N NH1 . ARG A 244 ? 0.6922 0.4862 0.6289 0.0877 0.0171 0.0647 242 ARG A NH1 1860 N NH2 . ARG A 244 ? 0.6985 0.4671 0.6323 0.1021 0.0304 0.0469 242 ARG A NH2 1861 N N . THR A 245 ? 0.7907 0.4139 0.7139 0.0840 0.0255 0.1250 243 THR A N 1862 C CA . THR A 245 ? 0.7697 0.3898 0.6922 0.0755 0.0238 0.1391 243 THR A CA 1863 C C . THR A 245 ? 0.7605 0.3575 0.6869 0.0850 0.0254 0.1472 243 THR A C 1864 O O . THR A 245 ? 0.8462 0.4518 0.7710 0.0915 0.0221 0.1631 243 THR A O 1865 C CB . THR A 245 ? 0.8075 0.4155 0.7280 0.0531 0.0255 0.1329 243 THR A CB 1866 O OG1 . THR A 245 ? 0.7991 0.4305 0.7153 0.0449 0.0232 0.1279 243 THR A OG1 1867 C CG2 . THR A 245 ? 0.7194 0.3226 0.6397 0.0447 0.0256 0.1477 243 THR A CG2 1868 N N . LEU A 246 ? 0.7910 0.3579 0.7208 0.0858 0.0301 0.1356 244 LEU A N 1869 C CA . LEU A 246 ? 0.8872 0.4289 0.8210 0.0959 0.0322 0.1416 244 LEU A CA 1870 C C . LEU A 246 ? 0.9283 0.4865 0.8665 0.1187 0.0295 0.1523 244 LEU A C 1871 O O . LEU A 246 ? 0.9016 0.4502 0.8406 0.1267 0.0280 0.1661 244 LEU A O 1872 C CB . LEU A 246 ? 0.8836 0.3933 0.8201 0.0942 0.0377 0.1237 244 LEU A CB 1873 C CG . LEU A 246 ? 0.9415 0.4312 0.8764 0.0714 0.0389 0.1137 244 LEU A CG 1874 C CD1 . LEU A 246 ? 0.9552 0.4155 0.8911 0.0707 0.0429 0.0939 244 LEU A CD1 1875 C CD2 . LEU A 246 ? 0.8406 0.3175 0.7765 0.0617 0.0384 0.1289 244 LEU A CD2 1876 N N . ASN A 247 ? 0.8810 0.4647 0.8227 0.1289 0.0285 0.1462 245 ASN A N 1877 C CA . ASN A 247 ? 0.8456 0.4501 0.7958 0.1500 0.0253 0.1548 245 ASN A CA 1878 C C . ASN A 247 ? 0.8301 0.4628 0.7768 0.1513 0.0166 0.1726 245 ASN A C 1879 O O . ASN A 247 ? 0.7970 0.4347 0.7476 0.1650 0.0123 0.1851 245 ASN A O 1880 C CB . ASN A 247 ? 0.8098 0.4345 0.7668 0.1599 0.0277 0.1424 245 ASN A CB 1881 C CG . ASN A 247 ? 0.8146 0.4118 0.7743 0.1646 0.0365 0.1257 245 ASN A CG 1882 O OD1 . ASN A 247 ? 0.9281 0.4954 0.8895 0.1678 0.0396 0.1260 245 ASN A OD1 1883 N ND2 . ASN A 247 ? 0.6860 0.2922 0.6448 0.1651 0.0409 0.1106 245 ASN A ND2 1884 N N . LEU A 248 ? 0.6843 0.3351 0.6231 0.1368 0.0138 0.1730 246 LEU A N 1885 C CA . LEU A 248 ? 0.7336 0.4095 0.6653 0.1348 0.0062 0.1875 246 LEU A CA 1886 C C . LEU A 248 ? 0.7649 0.4188 0.6891 0.1327 0.0058 0.2017 246 LEU A C 1887 O O . LEU A 248 ? 0.8639 0.5304 0.7846 0.1419 -0.0007 0.2154 246 LEU A O 1888 C CB . LEU A 248 ? 0.6771 0.3703 0.6009 0.1178 0.0053 0.1834 246 LEU A CB 1889 C CG . LEU A 248 ? 0.6353 0.3549 0.5497 0.1152 -0.0020 0.1960 246 LEU A CG 1890 C CD1 . LEU A 248 ? 0.6281 0.3823 0.5490 0.1304 -0.0102 0.1988 246 LEU A CD1 1891 C CD2 . LEU A 248 ? 0.5828 0.3131 0.4893 0.0971 -0.0008 0.1917 246 LEU A CD2 1892 N N . ALA A 249 ? 0.8087 0.4294 0.7305 0.1204 0.0124 0.1979 247 ALA A N 1893 C CA . ALA A 249 ? 0.8030 0.3968 0.7191 0.1179 0.0140 0.2103 247 ALA A CA 1894 C C . ALA A 249 ? 0.8461 0.4284 0.7675 0.1381 0.0121 0.2187 247 ALA A C 1895 O O . ALA A 249 ? 0.8999 0.4790 0.8139 0.1429 0.0086 0.2349 247 ALA A O 1896 C CB . ALA A 249 ? 0.7878 0.3481 0.7053 0.1017 0.0216 0.2013 247 ALA A CB 1897 N N . LYS A 250 ? 0.8906 0.4658 0.8240 0.1501 0.0149 0.2075 248 LYS A N 1898 C CA . LYS A 250 ? 0.9748 0.5406 0.9162 0.1707 0.0137 0.2140 248 LYS A CA 1899 C C . LYS A 250 ? 0.9701 0.5721 0.9128 0.1851 0.0039 0.2265 248 LYS A C 1900 O O . LYS A 250 ? 0.9683 0.5653 0.9080 0.1950 -0.0008 0.2418 248 LYS A O 1901 C CB . LYS A 250 ? 0.9440 0.4986 0.8983 0.1803 0.0200 0.1971 248 LYS A CB 1902 C CG . LYS A 250 ? 1.0802 0.6309 1.0462 0.2034 0.0192 0.2018 248 LYS A CG 1903 C CD . LYS A 250 ? 1.1757 0.7137 1.1529 0.2115 0.0275 0.1832 248 LYS A CD 1904 C CE . LYS A 250 ? 1.2545 0.7889 1.2455 0.2354 0.0277 0.1874 248 LYS A CE 1905 N NZ . LYS A 250 ? 1.2497 0.7484 1.2372 0.2392 0.0278 0.1996 248 LYS A NZ 1906 N N . LEU A 251 ? 0.9288 0.5672 0.8757 0.1857 0.0002 0.2198 249 LEU A N 1907 C CA . LEU A 251 ? 0.9005 0.5778 0.8505 0.1971 -0.0103 0.2286 249 LEU A CA 1908 C C . LEU A 251 ? 0.9358 0.6200 0.8691 0.1919 -0.0180 0.2453 249 LEU A C 1909 O O . LEU A 251 ? 0.8172 0.5223 0.7513 0.2041 -0.0275 0.2558 249 LEU A O 1910 C CB . LEU A 251 ? 0.7482 0.4613 0.7036 0.1932 -0.0122 0.2175 249 LEU A CB 1911 C CG . LEU A 251 ? 0.7508 0.4663 0.7229 0.2019 -0.0057 0.2023 249 LEU A CG 1912 C CD1 . LEU A 251 ? 0.7417 0.4793 0.7130 0.1912 -0.0043 0.1905 249 LEU A CD1 1913 C CD2 . LEU A 251 ? 0.6927 0.4311 0.6824 0.2232 -0.0109 0.2063 249 LEU A CD2 1914 N N . THR A 252 ? 1.0066 0.6744 0.9248 0.1735 -0.0137 0.2471 250 THR A N 1915 C CA . THR A 252 ? 0.9642 0.6391 0.8640 0.1665 -0.0189 0.2612 250 THR A CA 1916 C C . THR A 252 ? 1.0117 0.6499 0.9017 0.1651 -0.0151 0.2745 250 THR A C 1917 O O . THR A 252 ? 1.0785 0.7172 0.9514 0.1590 -0.0175 0.2872 250 THR A O 1918 C CB . THR A 252 ? 0.9567 0.6437 0.8460 0.1463 -0.0163 0.2551 250 THR A CB 1919 O OG1 . THR A 252 ? 0.9453 0.6044 0.8378 0.1329 -0.0061 0.2457 250 THR A OG1 1920 C CG2 . THR A 252 ? 0.9704 0.6954 0.8665 0.1474 -0.0213 0.2444 250 THR A CG2 1921 N N . GLY A 253 ? 1.0656 0.6713 0.9658 0.1704 -0.0086 0.2712 251 GLY A N 1922 C CA . GLY A 253 ? 1.0664 0.6338 0.9592 0.1683 -0.0041 0.2828 251 GLY A CA 1923 C C . GLY A 253 ? 1.0808 0.6291 0.9636 0.1453 0.0038 0.2818 251 GLY A C 1924 O O . GLY A 253 ? 1.0359 0.5652 0.9065 0.1401 0.0058 0.2959 251 GLY A O 1925 N N . CYS A 254 ? 1.0616 0.6154 0.9504 0.1316 0.0085 0.2655 252 CYS A N 1926 C CA . CYS A 254 ? 1.0101 0.5503 0.8933 0.1092 0.0155 0.2627 252 CYS A CA 1927 C C . CYS A 254 ? 1.0177 0.5279 0.9129 0.1008 0.0230 0.2481 252 CYS A C 1928 O O . CYS A 254 ? 1.0578 0.5602 0.9532 0.0815 0.0280 0.2417 252 CYS A O 1929 C CB . CYS A 254 ? 0.9902 0.5638 0.8687 0.0972 0.0138 0.2564 252 CYS A CB 1930 S SG . CYS A 254 ? 1.0585 0.6633 0.9180 0.0998 0.0065 0.2720 252 CYS A SG 1931 N N . SER A 255 ? 1.0189 0.5137 0.9246 0.1154 0.0234 0.2419 253 SER A N 1932 C CA . SER A 255 ? 1.1270 0.5897 1.0421 0.1091 0.0300 0.2273 253 SER A CA 1933 C C . SER A 255 ? 1.1794 0.6064 1.0905 0.0973 0.0351 0.2356 253 SER A C 1934 O O . SER A 255 ? 1.0972 0.5088 1.0030 0.1066 0.0345 0.2517 253 SER A O 1935 C CB . SER A 255 ? 1.1427 0.5958 1.0680 0.1296 0.0300 0.2205 253 SER A CB 1936 O OG . SER A 255 ? 1.2200 0.6380 1.1519 0.1243 0.0364 0.2067 253 SER A OG 1937 N N . ARG A 256 ? 1.2496 0.6643 1.1637 0.0764 0.0397 0.2251 254 ARG A N 1938 C CA . ARG A 256 ? 1.2456 0.6294 1.1578 0.0622 0.0449 0.2323 254 ARG A CA 1939 C C . ARG A 256 ? 1.2624 0.6184 1.1852 0.0490 0.0491 0.2142 254 ARG A C 1940 O O . ARG A 256 ? 1.1661 0.5287 1.0959 0.0488 0.0480 0.1951 254 ARG A O 1941 C CB . ARG A 256 ? 1.1844 0.5858 1.0886 0.0447 0.0462 0.2416 254 ARG A CB 1942 C CG . ARG A 256 ? 1.1095 0.5342 0.9993 0.0538 0.0426 0.2605 254 ARG A CG 1943 C CD . ARG A 256 ? 1.0956 0.4942 0.9766 0.0603 0.0444 0.2799 254 ARG A CD 1944 N NE . ARG A 256 ? 1.1350 0.5565 1.0002 0.0698 0.0396 0.2974 254 ARG A NE 1945 C CZ . ARG A 256 ? 1.1634 0.6032 1.0263 0.0902 0.0316 0.3013 254 ARG A CZ 1946 N NH1 . ARG A 256 ? 1.1898 0.6278 1.0660 0.1037 0.0290 0.2895 254 ARG A NH1 1947 N NH2 . ARG A 256 ? 1.1241 0.5846 0.9715 0.0969 0.0262 0.3165 254 ARG A NH2 1948 N N . GLU A 257 ? 1.3811 0.7063 1.3041 0.0371 0.0537 0.2203 255 GLU A N 1949 C CA . GLU A 257 ? 1.3982 0.6969 1.3310 0.0201 0.0569 0.2043 255 GLU A CA 1950 C C . GLU A 257 ? 1.2508 0.5739 1.1899 0.0042 0.0548 0.1868 255 GLU A C 1951 O O . GLU A 257 ? 1.2439 0.5682 1.1887 0.0068 0.0527 0.1676 255 GLU A O 1952 C CB . GLU A 257 ? 1.5068 0.7807 1.4381 0.0048 0.0620 0.2170 255 GLU A CB 1953 C CG . GLU A 257 ? 1.6311 0.8804 1.5542 0.0188 0.0643 0.2374 255 GLU A CG 1954 C CD . GLU A 257 ? 1.7427 0.9475 1.6721 0.0233 0.0670 0.2304 255 GLU A CD 1955 O OE1 . GLU A 257 ? 1.6880 0.8860 1.6261 0.0234 0.0657 0.2087 255 GLU A OE1 1956 O OE2 . GLU A 257 ? 1.8344 1.0100 1.7591 0.0265 0.0706 0.2464 255 GLU A OE2 1957 N N . ASN A 258 ? 1.0760 0.4190 1.0138 -0.0117 0.0557 0.1937 256 ASN A N 1958 C CA . ASN A 258 ? 1.0911 0.4574 1.0362 -0.0275 0.0535 0.1788 256 ASN A CA 1959 C C . ASN A 258 ? 1.0332 0.4409 0.9724 -0.0211 0.0503 0.1818 256 ASN A C 1960 O O . ASN A 258 ? 0.9774 0.3977 0.9064 -0.0057 0.0493 0.1961 256 ASN A O 1961 C CB . ASN A 258 ? 1.1765 0.5366 1.1287 -0.0521 0.0570 0.1799 256 ASN A CB 1962 C CG . ASN A 258 ? 1.3127 0.6784 1.2560 -0.0552 0.0620 0.2026 256 ASN A CG 1963 O OD1 . ASN A 258 ? 1.3542 0.7444 1.2865 -0.0444 0.0611 0.2142 256 ASN A OD1 1964 N ND2 . ASN A 258 ? 1.4119 0.7549 1.3592 -0.0704 0.0675 0.2087 256 ASN A ND2 1965 N N . GLU A 259 ? 1.0267 0.4555 0.9727 -0.0329 0.0480 0.1679 257 GLU A N 1966 C CA . GLU A 259 ? 1.0299 0.4955 0.9712 -0.0270 0.0449 0.1678 257 GLU A CA 1967 C C . GLU A 259 ? 0.9998 0.4876 0.9327 -0.0304 0.0468 0.1851 257 GLU A C 1968 O O . GLU A 259 ? 1.0736 0.5844 0.9968 -0.0179 0.0443 0.1930 257 GLU A O 1969 C CB . GLU A 259 ? 1.0685 0.5486 1.0191 -0.0395 0.0420 0.1487 257 GLU A CB 1970 C CG . GLU A 259 ? 1.1091 0.5730 1.0636 -0.0341 0.0397 0.1296 257 GLU A CG 1971 C CD . GLU A 259 ? 1.0743 0.5544 1.0352 -0.0455 0.0360 0.1113 257 GLU A CD 1972 O OE1 . GLU A 259 ? 1.0254 0.5293 0.9905 -0.0578 0.0353 0.1141 257 GLU A OE1 1973 O OE2 . GLU A 259 ? 1.1017 0.5709 1.0627 -0.0418 0.0341 0.0939 257 GLU A OE2 1974 N N . THR A 260 ? 1.0564 0.5382 0.9930 -0.0479 0.0513 0.1901 258 THR A N 1975 C CA . THR A 260 ? 1.2008 0.7038 1.1290 -0.0532 0.0549 0.2045 258 THR A CA 1976 C C . THR A 260 ? 1.2095 0.7062 1.1213 -0.0385 0.0559 0.2243 258 THR A C 1977 O O . THR A 260 ? 1.1775 0.6961 1.0771 -0.0363 0.0567 0.2356 258 THR A O 1978 C CB . THR A 260 ? 1.3550 0.8532 1.2928 -0.0759 0.0608 0.2044 258 THR A CB 1979 O OG1 . THR A 260 ? 1.3919 0.8942 1.3462 -0.0886 0.0577 0.1849 258 THR A OG1 1980 C CG2 . THR A 260 ? 1.3852 0.9108 1.3156 -0.0822 0.0656 0.2155 258 THR A CG2 1981 N N . GLU A 261 ? 1.2784 0.7453 1.1893 -0.0279 0.0555 0.2280 259 GLU A N 1982 C CA . GLU A 261 ? 1.2624 0.7239 1.1585 -0.0118 0.0547 0.2466 259 GLU A CA 1983 C C . GLU A 261 ? 1.0993 0.5848 0.9895 0.0079 0.0472 0.2455 259 GLU A C 1984 O O . GLU A 261 ? 1.0485 0.5500 0.9250 0.0178 0.0444 0.2591 259 GLU A O 1985 C CB . GLU A 261 ? 1.3652 0.7861 1.2633 -0.0064 0.0570 0.2519 259 GLU A CB 1986 C CG . GLU A 261 ? 1.5207 0.9177 1.4193 -0.0234 0.0648 0.2610 259 GLU A CG 1987 C CD . GLU A 261 ? 1.5870 0.9997 1.4706 -0.0276 0.0687 0.2795 259 GLU A CD 1988 O OE1 . GLU A 261 ? 1.6425 1.0542 1.5108 -0.0125 0.0666 0.2956 259 GLU A OE1 1989 O OE2 . GLU A 261 ? 1.5426 0.9693 1.4298 -0.0457 0.0738 0.2775 259 GLU A OE2 1990 N N . ILE A 262 ? 1.0078 0.4961 0.9085 0.0130 0.0439 0.2289 260 ILE A N 1991 C CA . ILE A 262 ? 0.9690 0.4826 0.8672 0.0296 0.0375 0.2258 260 ILE A CA 1992 C C . ILE A 262 ? 0.9522 0.5032 0.8422 0.0253 0.0351 0.2289 260 ILE A C 1993 O O . ILE A 262 ? 0.8866 0.4573 0.7663 0.0379 0.0301 0.2383 260 ILE A O 1994 C CB . ILE A 262 ? 0.9669 0.4776 0.8773 0.0321 0.0363 0.2057 260 ILE A CB 1995 C CG1 . ILE A 262 ? 1.0717 0.5457 0.9884 0.0391 0.0386 0.2015 260 ILE A CG1 1996 C CG2 . ILE A 262 ? 0.8848 0.4255 0.7935 0.0470 0.0307 0.2023 260 ILE A CG2 1997 C CD1 . ILE A 262 ? 1.0381 0.5040 0.9645 0.0388 0.0390 0.1800 260 ILE A CD1 1998 N N . ILE A 263 ? 0.9414 0.5022 0.8363 0.0074 0.0383 0.2204 261 ILE A N 1999 C CA . ILE A 263 ? 0.8720 0.4663 0.7597 0.0024 0.0372 0.2220 261 ILE A CA 2000 C C . ILE A 263 ? 0.8745 0.4734 0.7461 0.0025 0.0391 0.2399 261 ILE A C 2001 O O . ILE A 263 ? 0.9226 0.5471 0.7820 0.0090 0.0352 0.2451 261 ILE A O 2002 C CB . ILE A 263 ? 0.8806 0.4830 0.7787 -0.0171 0.0410 0.2103 261 ILE A CB 2003 C CG1 . ILE A 263 ? 0.8309 0.4273 0.7426 -0.0177 0.0385 0.1922 261 ILE A CG1 2004 C CG2 . ILE A 263 ? 0.9152 0.5518 0.8059 -0.0202 0.0404 0.2112 261 ILE A CG2 2005 C CD1 . ILE A 263 ? 0.7582 0.3724 0.6668 -0.0016 0.0326 0.1871 261 ILE A CD1 2006 N N . LYS A 264 ? 0.9329 0.5057 0.8038 -0.0049 0.0451 0.2488 262 LYS A N 2007 C CA . LYS A 264 ? 0.9499 0.5207 0.8042 -0.0053 0.0483 0.2669 262 LYS A CA 2008 C C . LYS A 264 ? 0.9654 0.5435 0.8052 0.0150 0.0406 0.2780 262 LYS A C 2009 O O . LYS A 264 ? 1.0519 0.6485 0.8748 0.0172 0.0391 0.2877 262 LYS A O 2010 C CB . LYS A 264 ? 1.0224 0.5581 0.8804 -0.0142 0.0556 0.2745 262 LYS A CB 2011 C CG . LYS A 264 ? 1.1149 0.6437 0.9552 -0.0158 0.0605 0.2947 262 LYS A CG 2012 C CD . LYS A 264 ? 1.0381 0.5285 0.8834 -0.0232 0.0674 0.3023 262 LYS A CD 2013 C CE . LYS A 264 ? 1.0816 0.5668 0.9117 -0.0313 0.0754 0.3207 262 LYS A CE 2014 N NZ . LYS A 264 ? 1.0960 0.5414 0.9291 -0.0364 0.0817 0.3307 262 LYS A NZ 2015 N N . CYS A 265 ? 0.8938 0.4581 0.7406 0.0298 0.0357 0.2760 263 CYS A N 2016 C CA . CYS A 265 ? 0.9330 0.5057 0.7701 0.0500 0.0274 0.2859 263 CYS A CA 2017 C C . CYS A 265 ? 0.9125 0.5236 0.7474 0.0569 0.0195 0.2787 263 CYS A C 2018 O O . CYS A 265 ? 0.9486 0.5781 0.7698 0.0664 0.0129 0.2880 263 CYS A O 2019 C CB . CYS A 265 ? 0.9522 0.4991 0.7997 0.0645 0.0254 0.2858 263 CYS A CB 2020 S SG . CYS A 265 ? 1.4700 1.0350 1.3152 0.0911 0.0137 0.2919 263 CYS A SG 2021 N N . LEU A 266 ? 0.8879 0.5107 0.7357 0.0516 0.0200 0.2620 264 LEU A N 2022 C CA . LEU A 266 ? 0.8503 0.5082 0.6977 0.0567 0.0133 0.2541 264 LEU A CA 2023 C C . LEU A 266 ? 0.8598 0.5421 0.6925 0.0473 0.0135 0.2571 264 LEU A C 2024 O O . LEU A 266 ? 0.8607 0.5715 0.6872 0.0537 0.0065 0.2552 264 LEU A O 2025 C CB . LEU A 266 ? 0.7275 0.3886 0.5913 0.0527 0.0146 0.2362 264 LEU A CB 2026 C CG . LEU A 266 ? 0.7357 0.3829 0.6122 0.0669 0.0126 0.2304 264 LEU A CG 2027 C CD1 . LEU A 266 ? 0.7139 0.3596 0.6029 0.0605 0.0155 0.2127 264 LEU A CD1 2028 C CD2 . LEU A 266 ? 0.6903 0.3593 0.5657 0.0864 0.0038 0.2350 264 LEU A CD2 2029 N N . ARG A 267 ? 0.8677 0.5389 0.6955 0.0319 0.0220 0.2611 265 ARG A N 2030 C CA . ARG A 267 ? 0.8440 0.5352 0.6566 0.0230 0.0245 0.2646 265 ARG A CA 2031 C C . ARG A 267 ? 0.8997 0.5951 0.6903 0.0321 0.0201 0.2801 265 ARG A C 2032 O O . ARG A 267 ? 0.9477 0.6632 0.7224 0.0284 0.0199 0.2818 265 ARG A O 2033 C CB . ARG A 267 ? 0.7865 0.4661 0.6030 0.0038 0.0361 0.2641 265 ARG A CB 2034 C CG . ARG A 267 ? 0.8114 0.4968 0.6466 -0.0074 0.0391 0.2476 265 ARG A CG 2035 C CD . ARG A 267 ? 0.8321 0.5188 0.6702 -0.0260 0.0494 0.2471 265 ARG A CD 2036 N NE . ARG A 267 ? 0.8627 0.5601 0.7183 -0.0361 0.0509 0.2315 265 ARG A NE 2037 C CZ . ARG A 267 ? 0.8832 0.5642 0.7573 -0.0469 0.0542 0.2239 265 ARG A CZ 2038 N NH1 . ARG A 267 ? 0.9253 0.5775 0.8031 -0.0493 0.0570 0.2301 265 ARG A NH1 2039 N NH2 . ARG A 267 ? 0.8442 0.5373 0.7333 -0.0555 0.0542 0.2097 265 ARG A NH2 2040 N N . ASN A 268 ? 0.8274 0.5033 0.6163 0.0442 0.0164 0.2910 266 ASN A N 2041 C CA . ASN A 268 ? 0.8838 0.5623 0.6521 0.0543 0.0106 0.3067 266 ASN A CA 2042 C C . ASN A 268 ? 0.9844 0.6855 0.7519 0.0719 -0.0031 0.3053 266 ASN A C 2043 O O . ASN A 268 ? 1.1016 0.8092 0.8522 0.0808 -0.0103 0.3170 266 ASN A O 2044 C CB . ASN A 268 ? 1.0254 0.6695 0.7909 0.0578 0.0142 0.3220 266 ASN A CB 2045 C CG . ASN A 268 ? 1.2473 0.8753 1.0028 0.0413 0.0262 0.3306 266 ASN A CG 2046 O OD1 . ASN A 268 ? 1.2363 0.8712 0.9976 0.0254 0.0343 0.3215 266 ASN A OD1 2047 N ND2 . ASN A 268 ? 1.3588 0.9660 1.0998 0.0453 0.0275 0.3488 266 ASN A ND2 2048 N N . LYS A 269 ? 0.9048 0.6182 0.6910 0.0767 -0.0069 0.2914 267 LYS A N 2049 C CA . LYS A 269 ? 0.8775 0.6152 0.6676 0.0926 -0.0194 0.2889 267 LYS A CA 2050 C C . LYS A 269 ? 0.7802 0.5527 0.5593 0.0888 -0.0252 0.2824 267 LYS A C 2051 O O . LYS A 269 ? 0.7466 0.5263 0.5230 0.0748 -0.0187 0.2740 267 LYS A O 2052 C CB . LYS A 269 ? 0.7295 0.4659 0.5442 0.0995 -0.0199 0.2770 267 LYS A CB 2053 C CG . LYS A 269 ? 0.8670 0.5673 0.6923 0.1037 -0.0141 0.2812 267 LYS A CG 2054 C CD . LYS A 269 ? 0.8485 0.5397 0.6703 0.1211 -0.0209 0.2958 267 LYS A CD 2055 C CE . LYS A 269 ? 1.0239 0.6745 0.8431 0.1188 -0.0130 0.3064 267 LYS A CE 2056 N NZ . LYS A 269 ? 1.0957 0.7327 0.9167 0.1376 -0.0188 0.3187 267 LYS A NZ 2057 N N . ASP A 270 ? 0.8057 0.5994 0.5787 0.1012 -0.0376 0.2862 268 ASP A N 2058 C CA . ASP A 270 ? 0.8449 0.6726 0.6104 0.0988 -0.0448 0.2776 268 ASP A CA 2059 C C . ASP A 270 ? 0.8693 0.7117 0.6560 0.0958 -0.0435 0.2609 268 ASP A C 2060 O O . ASP A 270 ? 0.9557 0.7898 0.7625 0.1031 -0.0428 0.2579 268 ASP A O 2061 C CB . ASP A 270 ? 1.0273 0.8757 0.7888 0.1137 -0.0601 0.2831 268 ASP A CB 2062 C CG . ASP A 270 ? 1.3401 1.1812 1.0741 0.1154 -0.0638 0.2987 268 ASP A CG 2063 O OD1 . ASP A 270 ? 1.4424 1.2733 1.1570 0.1028 -0.0550 0.3017 268 ASP A OD1 2064 O OD2 . ASP A 270 ? 1.3853 1.2317 1.1173 0.1295 -0.0754 0.3081 268 ASP A OD2 2065 N N . PRO A 271 ? 0.8993 0.7625 0.6810 0.0855 -0.0427 0.2499 269 PRO A N 2066 C CA . PRO A 271 ? 0.8507 0.7290 0.6514 0.0827 -0.0421 0.2349 269 PRO A CA 2067 C C . PRO A 271 ? 0.8247 0.7210 0.6427 0.0971 -0.0524 0.2322 269 PRO A C 2068 O O . PRO A 271 ? 0.8567 0.7522 0.6944 0.0996 -0.0498 0.2247 269 PRO A O 2069 C CB . PRO A 271 ? 0.8317 0.7333 0.6203 0.0725 -0.0429 0.2260 269 PRO A CB 2070 C CG . PRO A 271 ? 0.8528 0.7416 0.6173 0.0655 -0.0374 0.2351 269 PRO A CG 2071 C CD . PRO A 271 ? 0.9200 0.7920 0.6779 0.0762 -0.0414 0.2509 269 PRO A CD 2072 N N . GLN A 272 ? 0.8145 0.7270 0.6255 0.1066 -0.0638 0.2384 270 GLN A N 2073 C CA . GLN A 272 ? 0.8956 0.8300 0.7251 0.1204 -0.0745 0.2361 270 GLN A CA 2074 C C . GLN A 272 ? 0.8171 0.7315 0.6643 0.1327 -0.0714 0.2415 270 GLN A C 2075 O O . GLN A 272 ? 0.8146 0.7422 0.6839 0.1408 -0.0735 0.2348 270 GLN A O 2076 C CB . GLN A 272 ? 1.0664 1.0209 0.8842 0.1277 -0.0883 0.2426 270 GLN A CB 2077 C CG . GLN A 272 ? 1.2587 1.2373 1.0614 0.1172 -0.0933 0.2340 270 GLN A CG 2078 C CD . GLN A 272 ? 1.3580 1.3615 1.1787 0.1113 -0.0937 0.2175 270 GLN A CD 2079 O OE1 . GLN A 272 ? 1.3368 1.3540 1.1821 0.1194 -0.0974 0.2133 270 GLN A OE1 2080 N NE2 . GLN A 272 ? 1.4022 1.4112 1.2110 0.0974 -0.0893 0.2082 270 GLN A NE2 2081 N N . GLU A 273 ? 0.8561 0.7385 0.6936 0.1340 -0.0658 0.2532 271 GLU A N 2082 C CA . GLU A 273 ? 0.8848 0.7435 0.7375 0.1453 -0.0620 0.2578 271 GLU A CA 2083 C C . GLU A 273 ? 0.8576 0.7046 0.7263 0.1400 -0.0517 0.2457 271 GLU A C 2084 O O . GLU A 273 ? 0.9143 0.7598 0.8023 0.1509 -0.0509 0.2414 271 GLU A O 2085 C CB . GLU A 273 ? 1.0091 0.8341 0.8469 0.1456 -0.0577 0.2727 271 GLU A CB 2086 C CG . GLU A 273 ? 1.1894 1.0216 1.0153 0.1571 -0.0690 0.2869 271 GLU A CG 2087 C CD . GLU A 273 ? 1.3182 1.1184 1.1240 0.1541 -0.0640 0.3026 271 GLU A CD 2088 O OE1 . GLU A 273 ? 1.2603 1.0487 1.0513 0.1383 -0.0551 0.3023 271 GLU A OE1 2089 O OE2 . GLU A 273 ? 1.4343 1.2217 1.2401 0.1677 -0.0687 0.3155 271 GLU A OE2 2090 N N . ILE A 274 ? 0.7439 0.5830 0.6043 0.1234 -0.0438 0.2397 272 ILE A N 2091 C CA . ILE A 274 ? 0.7422 0.5719 0.6153 0.1169 -0.0353 0.2276 272 ILE A CA 2092 C C . ILE A 274 ? 0.7841 0.6448 0.6717 0.1211 -0.0399 0.2163 272 ILE A C 2093 O O . ILE A 274 ? 0.8294 0.6846 0.7329 0.1270 -0.0361 0.2092 272 ILE A O 2094 C CB . ILE A 274 ? 0.7173 0.5360 0.5795 0.0978 -0.0270 0.2241 272 ILE A CB 2095 C CG1 . ILE A 274 ? 0.8145 0.5973 0.6700 0.0927 -0.0193 0.2330 272 ILE A CG1 2096 C CG2 . ILE A 274 ? 0.5663 0.3858 0.4404 0.0905 -0.0216 0.2101 272 ILE A CG2 2097 C CD1 . ILE A 274 ? 0.8558 0.6300 0.7028 0.0739 -0.0110 0.2307 272 ILE A CD1 2098 N N . LEU A 275 ? 0.7782 0.6705 0.6595 0.1177 -0.0477 0.2143 273 LEU A N 2099 C CA . LEU A 275 ? 0.7328 0.6574 0.6270 0.1186 -0.0525 0.2036 273 LEU A CA 2100 C C . LEU A 275 ? 0.7413 0.6801 0.6562 0.1357 -0.0579 0.2038 273 LEU A C 2101 O O . LEU A 275 ? 0.6315 0.5822 0.5632 0.1386 -0.0558 0.1949 273 LEU A O 2102 C CB . LEU A 275 ? 0.7638 0.7171 0.6457 0.1117 -0.0609 0.2019 273 LEU A CB 2103 C CG . LEU A 275 ? 0.7455 0.7185 0.6264 0.0987 -0.0602 0.1899 273 LEU A CG 2104 C CD1 . LEU A 275 ? 0.7125 0.6616 0.5876 0.0864 -0.0486 0.1868 273 LEU A CD1 2105 C CD2 . LEU A 275 ? 0.7296 0.7231 0.5938 0.0928 -0.0679 0.1894 273 LEU A CD2 2106 N N . LEU A 276 ? 0.8057 0.7438 0.7195 0.1473 -0.0645 0.2142 274 LEU A N 2107 C CA . LEU A 276 ? 0.8022 0.7563 0.7377 0.1644 -0.0701 0.2151 274 LEU A CA 2108 C C . LEU A 276 ? 0.7408 0.6694 0.6916 0.1743 -0.0602 0.2133 274 LEU A C 2109 O O . LEU A 276 ? 0.7072 0.6496 0.6793 0.1883 -0.0618 0.2111 274 LEU A O 2110 C CB . LEU A 276 ? 0.8860 0.8473 0.8156 0.1744 -0.0813 0.2273 274 LEU A CB 2111 C CG . LEU A 276 ? 0.8943 0.8879 0.8132 0.1689 -0.0940 0.2270 274 LEU A CG 2112 C CD1 . LEU A 276 ? 0.9112 0.9131 0.8287 0.1821 -0.1063 0.2386 274 LEU A CD1 2113 C CD2 . LEU A 276 ? 0.7020 0.7328 0.6376 0.1646 -0.0981 0.2134 274 LEU A CD2 2114 N N . ASN A 277 ? 0.7620 0.6538 0.7027 0.1665 -0.0496 0.2129 275 ASN A N 2115 C CA . ASN A 277 ? 0.8061 0.6688 0.7580 0.1741 -0.0396 0.2092 275 ASN A CA 2116 C C . ASN A 277 ? 0.7104 0.5669 0.6678 0.1672 -0.0303 0.1952 275 ASN A C 2117 O O . ASN A 277 ? 0.7690 0.6059 0.7364 0.1747 -0.0223 0.1890 275 ASN A O 2118 C CB . ASN A 277 ? 0.8357 0.6573 0.7747 0.1710 -0.0343 0.2175 275 ASN A CB 2119 C CG . ASN A 277 ? 0.8274 0.6448 0.7672 0.1852 -0.0405 0.2307 275 ASN A CG 2120 O OD1 . ASN A 277 ? 0.9306 0.7385 0.8537 0.1810 -0.0438 0.2422 275 ASN A OD1 2121 N ND2 . ASN A 277 ? 0.8524 0.6767 0.8117 0.2026 -0.0417 0.2294 275 ASN A ND2 2122 N N . GLU A 278 ? 0.6166 0.4883 0.5661 0.1531 -0.0312 0.1900 276 GLU A N 2123 C CA . GLU A 278 ? 0.6961 0.5621 0.6474 0.1453 -0.0234 0.1777 276 GLU A CA 2124 C C . GLU A 278 ? 0.7148 0.5927 0.6856 0.1546 -0.0200 0.1653 276 GLU A C 2125 O O . GLU A 278 ? 0.7680 0.6278 0.7397 0.1490 -0.0115 0.1517 276 GLU A O 2126 C CB . GLU A 278 ? 0.6308 0.5228 0.5748 0.1280 -0.0278 0.1708 276 GLU A CB 2127 C CG . GLU A 278 ? 0.6980 0.5744 0.6228 0.1146 -0.0265 0.1777 276 GLU A CG 2128 C CD . GLU A 278 ? 0.7528 0.6525 0.6720 0.0980 -0.0291 0.1682 276 GLU A CD 2129 O OE1 . GLU A 278 ? 0.7410 0.6649 0.6705 0.0953 -0.0314 0.1558 276 GLU A OE1 2130 O OE2 . GLU A 278 ? 0.7959 0.6887 0.7006 0.0877 -0.0279 0.1736 276 GLU A OE2 2131 N N . ALA A 279 ? 0.5623 0.4717 0.5484 0.1682 -0.0268 0.1697 277 ALA A N 2132 C CA . ALA A 279 ? 0.6906 0.6185 0.6977 0.1758 -0.0229 0.1580 277 ALA A CA 2133 C C . ALA A 279 ? 0.7439 0.6462 0.7610 0.1934 -0.0141 0.1583 277 ALA A C 2134 O O . ALA A 279 ? 0.8034 0.7185 0.8379 0.2014 -0.0086 0.1488 277 ALA A O 2135 C CB . ALA A 279 ? 0.7231 0.6983 0.7468 0.1821 -0.0335 0.1613 277 ALA A CB 2136 N N . PHE A 280 ? 0.6740 0.5399 0.6804 0.1971 -0.0120 0.1672 278 PHE A N 2137 C CA . PHE A 280 ? 0.7188 0.5591 0.7341 0.2107 -0.0044 0.1648 278 PHE A CA 2138 C C . PHE A 280 ? 0.7555 0.5488 0.7570 0.2025 0.0063 0.1565 278 PHE A C 2139 O O . PHE A 280 ? 0.7827 0.5498 0.7888 0.2116 0.0129 0.1531 278 PHE A O 2140 C CB . PHE A 280 ? 0.6809 0.5197 0.6996 0.2214 -0.0121 0.1787 278 PHE A CB 2141 C CG . PHE A 280 ? 0.7256 0.6097 0.7579 0.2294 -0.0244 0.1858 278 PHE A CG 2142 C CD1 . PHE A 280 ? 0.7699 0.6790 0.8277 0.2453 -0.0242 0.1824 278 PHE A CD1 2143 C CD2 . PHE A 280 ? 0.7558 0.6583 0.7754 0.2199 -0.0359 0.1946 278 PHE A CD2 2144 C CE1 . PHE A 280 ? 0.7691 0.7216 0.8415 0.2510 -0.0366 0.1877 278 PHE A CE1 2145 C CE2 . PHE A 280 ? 0.7394 0.6830 0.7703 0.2258 -0.0483 0.1991 278 PHE A CE2 2146 C CZ . PHE A 280 ? 0.7466 0.7157 0.8048 0.2409 -0.0493 0.1957 278 PHE A CZ 2147 N N . VAL A 281 ? 0.7691 0.5522 0.7545 0.1848 0.0075 0.1526 279 VAL A N 2148 C CA . VAL A 281 ? 0.8685 0.6093 0.8416 0.1743 0.0161 0.1432 279 VAL A CA 2149 C C . VAL A 281 ? 0.9467 0.6839 0.9240 0.1751 0.0245 0.1233 279 VAL A C 2150 O O . VAL A 281 ? 0.9472 0.6492 0.9159 0.1699 0.0319 0.1126 279 VAL A O 2151 C CB . VAL A 281 ? 0.8080 0.5442 0.7653 0.1516 0.0133 0.1425 279 VAL A CB 2152 C CG1 . VAL A 281 ? 0.7800 0.5207 0.7312 0.1485 0.0062 0.1601 279 VAL A CG1 2153 C CG2 . VAL A 281 ? 0.7829 0.5541 0.7407 0.1386 0.0097 0.1305 279 VAL A CG2 2154 N N . VAL A 282 ? 1.0213 0.7961 1.0115 0.1805 0.0234 0.1180 280 VAL A N 2155 C CA . VAL A 282 ? 1.0468 0.8246 1.0406 0.1814 0.0321 0.1000 280 VAL A CA 2156 C C . VAL A 282 ? 1.1313 0.9251 1.1465 0.2043 0.0367 0.1019 280 VAL A C 2157 O O . VAL A 282 ? 1.2374 1.0680 1.2687 0.2121 0.0298 0.1116 280 VAL A O 2158 C CB . VAL A 282 ? 0.8902 0.6995 0.8812 0.1652 0.0289 0.0909 280 VAL A CB 2159 C CG1 . VAL A 282 ? 0.9777 0.7963 0.9740 0.1691 0.0384 0.0757 280 VAL A CG1 2160 C CG2 . VAL A 282 ? 0.8454 0.6372 0.8171 0.1441 0.0262 0.0861 280 VAL A CG2 2161 N N . PRO A 283 ? 1.1008 0.8678 1.1169 0.2151 0.0485 0.0919 281 PRO A N 2162 C CA . PRO A 283 ? 1.0974 0.8742 1.1353 0.2392 0.0553 0.0934 281 PRO A CA 2163 C C . PRO A 283 ? 1.0512 0.8751 1.1075 0.2421 0.0575 0.0871 281 PRO A C 2164 O O . PRO A 283 ? 1.0176 0.8675 1.0989 0.2603 0.0570 0.0949 281 PRO A O 2165 C CB . PRO A 283 ? 1.1468 0.8809 1.1748 0.2427 0.0681 0.0787 281 PRO A CB 2166 C CG . PRO A 283 ? 1.1945 0.9103 1.1979 0.2208 0.0694 0.0652 281 PRO A CG 2167 C CD . PRO A 283 ? 1.1490 0.8752 1.1451 0.2044 0.0562 0.0769 281 PRO A CD 2168 N N . TYR A 284 ? 1.0239 0.8590 1.0696 0.2247 0.0600 0.0741 282 TYR A N 2169 C CA . TYR A 284 ? 1.1008 0.9773 1.1636 0.2261 0.0643 0.0680 282 TYR A CA 2170 C C . TYR A 284 ? 1.0954 0.9945 1.1487 0.2039 0.0588 0.0635 282 TYR A C 2171 O O . TYR A 284 ? 1.2222 1.1118 1.2596 0.1925 0.0660 0.0502 282 TYR A O 2172 C CB . TYR A 284 ? 1.2020 1.0675 1.2682 0.2378 0.0818 0.0539 282 TYR A CB 2173 C CG . TYR A 284 ? 1.2918 1.1197 1.3286 0.2265 0.0908 0.0372 282 TYR A CG 2174 C CD1 . TYR A 284 ? 1.3277 1.1278 1.3393 0.2089 0.0832 0.0357 282 TYR A CD1 2175 C CD2 . TYR A 284 ? 1.3331 1.1549 1.3676 0.2338 0.1069 0.0224 282 TYR A CD2 2176 C CE1 . TYR A 284 ? 1.3424 1.1112 1.3284 0.1986 0.0893 0.0200 282 TYR A CE1 2177 C CE2 . TYR A 284 ? 1.3555 1.1440 1.3606 0.2237 0.1138 0.0066 282 TYR A CE2 2178 C CZ . TYR A 284 ? 1.3649 1.1274 1.3462 0.2060 0.1040 0.0054 282 TYR A CZ 2179 O OH . TYR A 284 ? 1.3783 1.1100 1.3312 0.1957 0.1088 -0.0107 282 TYR A OH 2180 N N . GLY A 285 ? 0.9330 0.8615 0.9950 0.1984 0.0459 0.0746 283 GLY A N 2181 C CA . GLY A 285 ? 0.9145 0.8602 0.9667 0.1776 0.0397 0.0715 283 GLY A CA 2182 C C . GLY A 285 ? 0.9283 0.9154 0.9980 0.1739 0.0420 0.0669 283 GLY A C 2183 O O . GLY A 285 ? 0.9995 1.0117 1.0946 0.1878 0.0459 0.0687 283 GLY A O 2184 N N . THR A 286 ? 0.7918 0.7857 0.8493 0.1551 0.0401 0.0613 284 THR A N 2185 C CA . THR A 286 ? 0.6833 0.7133 0.7553 0.1478 0.0421 0.0573 284 THR A CA 2186 C C . THR A 286 ? 0.6456 0.6991 0.7204 0.1359 0.0281 0.0638 284 THR A C 2187 O O . THR A 286 ? 0.6046 0.6434 0.6649 0.1312 0.0186 0.0698 284 THR A O 2188 C CB . THR A 286 ? 0.6671 0.6849 0.7213 0.1356 0.0524 0.0452 284 THR A CB 2189 O OG1 . THR A 286 ? 0.6489 0.6503 0.6801 0.1193 0.0448 0.0445 284 THR A OG1 2190 C CG2 . THR A 286 ? 0.6540 0.6428 0.6974 0.1454 0.0655 0.0370 284 THR A CG2 2191 N N . PRO A 287 ? 0.7053 0.7950 0.7987 0.1303 0.0275 0.0620 285 PRO A N 2192 C CA . PRO A 287 ? 0.6489 0.7582 0.7422 0.1171 0.0149 0.0654 285 PRO A CA 2193 C C . PRO A 287 ? 0.6323 0.7183 0.6981 0.1006 0.0128 0.0618 285 PRO A C 2194 O O . PRO A 287 ? 0.6931 0.7887 0.7546 0.0908 0.0027 0.0646 285 PRO A O 2195 C CB . PRO A 287 ? 0.5467 0.6922 0.6636 0.1119 0.0188 0.0605 285 PRO A CB 2196 C CG . PRO A 287 ? 0.5446 0.7012 0.6840 0.1287 0.0284 0.0604 285 PRO A CG 2197 C CD . PRO A 287 ? 0.6185 0.7350 0.7376 0.1372 0.0378 0.0578 285 PRO A CD 2198 N N . LEU A 288 ? 0.6234 0.6801 0.6710 0.0982 0.0220 0.0553 286 LEU A N 2199 C CA . LEU A 288 ? 0.6783 0.7128 0.7016 0.0841 0.0202 0.0516 286 LEU A CA 2200 C C . LEU A 288 ? 0.7706 0.7712 0.7762 0.0869 0.0181 0.0539 286 LEU A C 2201 O O . LEU A 288 ? 0.7217 0.7006 0.7084 0.0774 0.0187 0.0491 286 LEU A O 2202 C CB . LEU A 288 ? 0.7063 0.7342 0.7207 0.0772 0.0308 0.0422 286 LEU A CB 2203 C CG . LEU A 288 ? 0.7794 0.8335 0.8041 0.0670 0.0323 0.0399 286 LEU A CG 2204 C CD1 . LEU A 288 ? 0.7668 0.8244 0.7947 0.0688 0.0466 0.0337 286 LEU A CD1 2205 C CD2 . LEU A 288 ? 0.7693 0.8141 0.7771 0.0519 0.0265 0.0386 286 LEU A CD2 2206 N N . SER A 289 ? 0.8550 0.8511 0.8677 0.0997 0.0154 0.0615 287 SER A N 2207 C CA . SER A 289 ? 0.8156 0.7772 0.8137 0.1027 0.0150 0.0640 287 SER A CA 2208 C C . SER A 289 ? 0.6751 0.6292 0.6612 0.0925 0.0058 0.0706 287 SER A C 2209 O O . SER A 289 ? 0.6428 0.6167 0.6347 0.0924 -0.0023 0.0790 287 SER A O 2210 C CB . SER A 289 ? 0.8598 0.8149 0.8693 0.1214 0.0171 0.0706 287 SER A CB 2211 O OG . SER A 289 ? 0.8929 0.8359 0.9045 0.1303 0.0288 0.0619 287 SER A OG 2212 N N . VAL A 290 ? 0.6423 0.5688 0.6117 0.0839 0.0073 0.0663 288 VAL A N 2213 C CA . VAL A 290 ? 0.6057 0.5214 0.5644 0.0742 0.0012 0.0717 288 VAL A CA 2214 C C . VAL A 290 ? 0.6399 0.5262 0.5944 0.0811 0.0025 0.0780 288 VAL A C 2215 O O . VAL A 290 ? 0.6798 0.5384 0.6259 0.0787 0.0071 0.0712 288 VAL A O 2216 C CB . VAL A 290 ? 0.4999 0.4078 0.4464 0.0586 0.0014 0.0627 288 VAL A CB 2217 C CG1 . VAL A 290 ? 0.4849 0.3767 0.4224 0.0494 -0.0024 0.0670 288 VAL A CG1 2218 C CG2 . VAL A 290 ? 0.3895 0.3246 0.3400 0.0516 -0.0008 0.0597 288 VAL A CG2 2219 N N . ASN A 291 ? 0.7332 0.6247 0.6928 0.0899 -0.0017 0.0910 289 ASN A N 2220 C CA . ASN A 291 ? 0.7303 0.5929 0.6863 0.0975 0.0000 0.0996 289 ASN A CA 2221 C C . ASN A 291 ? 0.6719 0.5096 0.6147 0.0836 0.0003 0.0996 289 ASN A C 2222 O O . ASN A 291 ? 0.6487 0.4551 0.5867 0.0825 0.0053 0.0951 289 ASN A O 2223 C CB . ASN A 291 ? 0.9732 0.8494 0.9347 0.1086 -0.0061 0.1155 289 ASN A CB 2224 C CG . ASN A 291 ? 1.0083 0.9067 0.9870 0.1247 -0.0066 0.1167 289 ASN A CG 2225 O OD1 . ASN A 291 ? 0.9931 0.8789 0.9791 0.1353 0.0005 0.1115 289 ASN A OD1 2226 N ND2 . ASN A 291 ? 0.9489 0.8817 0.9351 0.1266 -0.0149 0.1226 289 ASN A ND2 2227 N N . PHE A 292 ? 0.5557 0.4078 0.4935 0.0727 -0.0046 0.1039 290 PHE A N 2228 C CA . PHE A 292 ? 0.5686 0.4032 0.4975 0.0583 -0.0038 0.1033 290 PHE A CA 2229 C C . PHE A 292 ? 0.5631 0.4152 0.4899 0.0444 -0.0060 0.0939 290 PHE A C 2230 O O . PHE A 292 ? 0.7082 0.5850 0.6352 0.0414 -0.0100 0.0968 290 PHE A O 2231 C CB . PHE A 292 ? 0.5059 0.3334 0.4294 0.0586 -0.0051 0.1193 290 PHE A CB 2232 C CG . PHE A 292 ? 0.5883 0.3896 0.5123 0.0709 -0.0019 0.1291 290 PHE A CG 2233 C CD1 . PHE A 292 ? 0.5577 0.3695 0.4870 0.0880 -0.0046 0.1385 290 PHE A CD1 2234 C CD2 . PHE A 292 ? 0.5672 0.3329 0.4879 0.0657 0.0036 0.1284 290 PHE A CD2 2235 C CE1 . PHE A 292 ? 0.6564 0.4424 0.5867 0.1010 -0.0015 0.1482 290 PHE A CE1 2236 C CE2 . PHE A 292 ? 0.6256 0.3632 0.5467 0.0772 0.0074 0.1373 290 PHE A CE2 2237 C CZ . PHE A 292 ? 0.6364 0.3833 0.5619 0.0956 0.0051 0.1477 290 PHE A CZ 2238 N N . GLY A 293 ? 0.4312 0.2693 0.3553 0.0363 -0.0038 0.0824 291 GLY A N 2239 C CA . GLY A 293 ? 0.4549 0.3064 0.3773 0.0246 -0.0061 0.0738 291 GLY A CA 2240 C C . GLY A 293 ? 0.5554 0.3868 0.4741 0.0135 -0.0057 0.0665 291 GLY A C 2241 O O . GLY A 293 ? 0.5909 0.3980 0.5087 0.0128 -0.0035 0.0689 291 GLY A O 2242 N N . PRO A 294 ? 0.5962 0.4375 0.5134 0.0048 -0.0082 0.0577 292 PRO A N 2243 C CA . PRO A 294 ? 0.4898 0.3178 0.4050 -0.0063 -0.0102 0.0500 292 PRO A CA 2244 C C . PRO A 294 ? 0.5887 0.3899 0.4988 -0.0041 -0.0084 0.0421 292 PRO A C 2245 O O . PRO A 294 ? 0.6101 0.4073 0.5164 0.0061 -0.0052 0.0386 292 PRO A O 2246 C CB . PRO A 294 ? 0.4305 0.2760 0.3436 -0.0104 -0.0135 0.0424 292 PRO A CB 2247 C CG . PRO A 294 ? 0.4682 0.3373 0.3846 -0.0058 -0.0130 0.0484 292 PRO A CG 2248 C CD . PRO A 294 ? 0.5455 0.4119 0.4635 0.0054 -0.0099 0.0550 292 PRO A CD 2249 N N . THR A 295 ? 0.5227 0.3065 0.4337 -0.0140 -0.0101 0.0385 293 THR A N 2250 C CA . THR A 295 ? 0.5548 0.3112 0.4599 -0.0145 -0.0092 0.0285 293 THR A CA 2251 C C . THR A 295 ? 0.6245 0.3751 0.5314 -0.0295 -0.0150 0.0205 293 THR A C 2252 O O . THR A 295 ? 0.6210 0.3887 0.5362 -0.0380 -0.0184 0.0245 293 THR A O 2253 C CB . THR A 295 ? 0.6824 0.4137 0.5899 -0.0082 -0.0035 0.0358 293 THR A CB 2254 O OG1 . THR A 295 ? 0.6696 0.3741 0.5694 -0.0044 -0.0010 0.0246 293 THR A OG1 2255 C CG2 . THR A 295 ? 0.4787 0.2007 0.3944 -0.0193 -0.0032 0.0440 293 THR A CG2 2256 N N . VAL A 296 ? 0.6282 0.3554 0.5280 -0.0325 -0.0164 0.0084 294 VAL A N 2257 C CA . VAL A 296 ? 0.6758 0.3964 0.5789 -0.0474 -0.0233 -0.0003 294 VAL A CA 2258 C C . VAL A 296 ? 0.6957 0.4020 0.6126 -0.0567 -0.0208 0.0067 294 VAL A C 2259 O O . VAL A 296 ? 0.7838 0.4607 0.6992 -0.0579 -0.0176 0.0031 294 VAL A O 2260 C CB . VAL A 296 ? 0.7011 0.4006 0.5894 -0.0482 -0.0264 -0.0173 294 VAL A CB 2261 C CG1 . VAL A 296 ? 0.6618 0.3540 0.5550 -0.0645 -0.0352 -0.0272 294 VAL A CG1 2262 C CG2 . VAL A 296 ? 0.5656 0.2801 0.4392 -0.0408 -0.0282 -0.0232 294 VAL A CG2 2263 N N . ASP A 297 ? 0.7001 0.4262 0.6301 -0.0635 -0.0212 0.0165 295 ASP A N 2264 C CA . ASP A 297 ? 0.6229 0.3389 0.5659 -0.0721 -0.0165 0.0260 295 ASP A CA 2265 C C . ASP A 297 ? 0.7229 0.4335 0.6787 -0.0898 -0.0213 0.0180 295 ASP A C 2266 O O . ASP A 297 ? 0.7443 0.4422 0.7116 -0.0987 -0.0164 0.0245 295 ASP A O 2267 C CB . ASP A 297 ? 0.6811 0.4217 0.6308 -0.0706 -0.0128 0.0405 295 ASP A CB 2268 C CG . ASP A 297 ? 0.7121 0.4823 0.6695 -0.0772 -0.0188 0.0367 295 ASP A CG 2269 O OD1 . ASP A 297 ? 0.7447 0.5221 0.6961 -0.0760 -0.0260 0.0256 295 ASP A OD1 2270 O OD2 . ASP A 297 ? 0.6815 0.4672 0.6501 -0.0830 -0.0157 0.0450 295 ASP A OD2 2271 N N . GLY A 298 ? 0.7246 0.4460 0.6792 -0.0953 -0.0312 0.0047 296 GLY A N 2272 C CA . GLY A 298 ? 0.7075 0.4293 0.6771 -0.1123 -0.0380 -0.0034 296 GLY A CA 2273 C C . GLY A 298 ? 0.8072 0.5595 0.7969 -0.1204 -0.0393 0.0036 296 GLY A C 2274 O O . GLY A 298 ? 0.8599 0.6222 0.8645 -0.1330 -0.0470 -0.0038 296 GLY A O 2275 N N . ASP A 299 ? 0.8646 0.6327 0.8551 -0.1127 -0.0318 0.0173 297 ASP A N 2276 C CA . ASP A 299 ? 0.7372 0.5333 0.7452 -0.1186 -0.0305 0.0243 297 ASP A CA 2277 C C . ASP A 299 ? 0.5912 0.4135 0.5929 -0.1096 -0.0356 0.0228 297 ASP A C 2278 O O . ASP A 299 ? 0.6008 0.4398 0.6105 -0.1140 -0.0447 0.0152 297 ASP A O 2279 C CB . ASP A 299 ? 0.7634 0.5566 0.7752 -0.1177 -0.0177 0.0405 297 ASP A CB 2280 C CG . ASP A 299 ? 0.8372 0.6542 0.8694 -0.1270 -0.0135 0.0469 297 ASP A CG 2281 O OD1 . ASP A 299 ? 0.8183 0.6594 0.8617 -0.1300 -0.0203 0.0405 297 ASP A OD1 2282 O OD2 . ASP A 299 ? 0.9250 0.7364 0.9617 -0.1303 -0.0025 0.0591 297 ASP A OD2 2283 N N . PHE A 300 ? 0.5357 0.3611 0.5237 -0.0969 -0.0302 0.0302 298 PHE A N 2284 C CA . PHE A 300 ? 0.6006 0.4464 0.5812 -0.0884 -0.0338 0.0288 298 PHE A CA 2285 C C . PHE A 300 ? 0.6358 0.4772 0.6039 -0.0851 -0.0430 0.0168 298 PHE A C 2286 O O . PHE A 300 ? 0.6403 0.4981 0.6096 -0.0852 -0.0499 0.0125 298 PHE A O 2287 C CB . PHE A 300 ? 0.6362 0.4840 0.6053 -0.0769 -0.0265 0.0381 298 PHE A CB 2288 C CG . PHE A 300 ? 0.5884 0.4592 0.5550 -0.0710 -0.0275 0.0391 298 PHE A CG 2289 C CD1 . PHE A 300 ? 0.5845 0.4736 0.5609 -0.0735 -0.0235 0.0453 298 PHE A CD1 2290 C CD2 . PHE A 300 ? 0.5435 0.4163 0.4977 -0.0632 -0.0314 0.0337 298 PHE A CD2 2291 C CE1 . PHE A 300 ? 0.5231 0.4303 0.4970 -0.0683 -0.0240 0.0451 298 PHE A CE1 2292 C CE2 . PHE A 300 ? 0.5141 0.4053 0.4667 -0.0589 -0.0317 0.0347 298 PHE A CE2 2293 C CZ . PHE A 300 ? 0.4529 0.3605 0.4155 -0.0614 -0.0284 0.0400 298 PHE A CZ 2294 N N . LEU A 301 ? 0.6039 0.4218 0.5586 -0.0815 -0.0422 0.0120 299 LEU A N 2295 C CA . LEU A 301 ? 0.5848 0.3940 0.5234 -0.0781 -0.0488 0.0002 299 LEU A CA 2296 C C . LEU A 301 ? 0.6354 0.4218 0.5732 -0.0867 -0.0532 -0.0104 299 LEU A C 2297 O O . LEU A 301 ? 0.7274 0.4901 0.6621 -0.0855 -0.0470 -0.0099 299 LEU A O 2298 C CB . LEU A 301 ? 0.5882 0.3881 0.5102 -0.0649 -0.0423 0.0019 299 LEU A CB 2299 C CG . LEU A 301 ? 0.6097 0.4272 0.5239 -0.0552 -0.0406 0.0053 299 LEU A CG 2300 C CD1 . LEU A 301 ? 0.6495 0.4534 0.5497 -0.0442 -0.0345 0.0037 299 LEU A CD1 2301 C CD2 . LEU A 301 ? 0.5942 0.4239 0.5034 -0.0578 -0.0492 -0.0014 299 LEU A CD2 2302 N N . THR A 302 ? 0.6431 0.4354 0.5828 -0.0948 -0.0644 -0.0205 300 THR A N 2303 C CA . THR A 302 ? 0.7376 0.5099 0.6776 -0.1053 -0.0704 -0.0325 300 THR A CA 2304 C C . THR A 302 ? 0.7612 0.5107 0.6752 -0.0995 -0.0723 -0.0450 300 THR A C 2305 O O . THR A 302 ? 0.8655 0.5954 0.7761 -0.1079 -0.0775 -0.0573 300 THR A O 2306 C CB . THR A 302 ? 0.7950 0.5850 0.7510 -0.1180 -0.0834 -0.0389 300 THR A CB 2307 O OG1 . THR A 302 ? 0.8735 0.6807 0.8173 -0.1122 -0.0926 -0.0426 300 THR A OG1 2308 C CG2 . THR A 302 ? 0.7720 0.5824 0.7563 -0.1248 -0.0794 -0.0278 300 THR A CG2 2309 N N . ASP A 303 ? 0.7559 0.5076 0.6517 -0.0858 -0.0674 -0.0427 301 ASP A N 2310 C CA . ASP A 303 ? 0.7596 0.4922 0.6296 -0.0789 -0.0672 -0.0543 301 ASP A CA 2311 C C . ASP A 303 ? 0.7496 0.4902 0.6079 -0.0639 -0.0582 -0.0472 301 ASP A C 2312 O O . ASP A 303 ? 0.6784 0.4402 0.5476 -0.0606 -0.0553 -0.0352 301 ASP A O 2313 C CB . ASP A 303 ? 0.8863 0.6236 0.7434 -0.0849 -0.0810 -0.0671 301 ASP A CB 2314 C CG . ASP A 303 ? 0.9611 0.6729 0.7907 -0.0819 -0.0814 -0.0824 301 ASP A CG 2315 O OD1 . ASP A 303 ? 0.9875 0.6833 0.8065 -0.0712 -0.0693 -0.0817 301 ASP A OD1 2316 O OD2 . ASP A 303 ? 0.8534 0.5622 0.6721 -0.0897 -0.0940 -0.0954 301 ASP A OD2 2317 N N . MET A 304 ? 0.7933 0.5173 0.6303 -0.0553 -0.0533 -0.0552 302 MET A N 2318 C CA . MET A 304 ? 0.8525 0.5860 0.6806 -0.0419 -0.0443 -0.0491 302 MET A CA 2319 C C . MET A 304 ? 0.8177 0.5761 0.6417 -0.0422 -0.0501 -0.0456 302 MET A C 2320 O O . MET A 304 ? 0.7825 0.5422 0.5951 -0.0477 -0.0601 -0.0534 302 MET A O 2321 C CB . MET A 304 ? 0.9679 0.6803 0.7743 -0.0327 -0.0370 -0.0594 302 MET A CB 2322 C CG . MET A 304 ? 1.1670 0.8562 0.9792 -0.0263 -0.0270 -0.0591 302 MET A CG 2323 S SD . MET A 304 ? 1.2052 0.9075 1.0373 -0.0147 -0.0162 -0.0409 302 MET A SD 2324 C CE . MET A 304 ? 0.9665 0.6806 0.7865 0.0003 -0.0065 -0.0414 302 MET A CE 2325 N N . PRO A 305 ? 0.7666 0.5443 0.6002 -0.0364 -0.0445 -0.0336 303 PRO A N 2326 C CA . PRO A 305 ? 0.6790 0.4794 0.5138 -0.0373 -0.0491 -0.0282 303 PRO A CA 2327 C C . PRO A 305 ? 0.7274 0.5266 0.5379 -0.0341 -0.0515 -0.0345 303 PRO A C 2328 O O . PRO A 305 ? 0.7282 0.5390 0.5362 -0.0377 -0.0601 -0.0335 303 PRO A O 2329 C CB . PRO A 305 ? 0.6189 0.4337 0.4648 -0.0304 -0.0399 -0.0168 303 PRO A CB 2330 C CG . PRO A 305 ? 0.6138 0.4176 0.4700 -0.0281 -0.0337 -0.0137 303 PRO A CG 2331 C CD . PRO A 305 ? 0.7467 0.5249 0.5903 -0.0282 -0.0337 -0.0249 303 PRO A CD 2332 N N . ASP A 306 ? 0.6582 0.4433 0.4509 -0.0269 -0.0436 -0.0406 304 ASP A N 2333 C CA . ASP A 306 ? 0.6313 0.4133 0.3971 -0.0233 -0.0435 -0.0463 304 ASP A CA 2334 C C . ASP A 306 ? 0.6902 0.4643 0.4408 -0.0309 -0.0573 -0.0564 304 ASP A C 2335 O O . ASP A 306 ? 0.7002 0.4795 0.4325 -0.0304 -0.0628 -0.0569 304 ASP A O 2336 C CB . ASP A 306 ? 0.7931 0.5604 0.5440 -0.0141 -0.0306 -0.0523 304 ASP A CB 2337 C CG . ASP A 306 ? 1.0948 0.8710 0.8645 -0.0064 -0.0184 -0.0431 304 ASP A CG 2338 O OD1 . ASP A 306 ? 1.2710 1.0389 1.0554 -0.0054 -0.0161 -0.0423 304 ASP A OD1 2339 O OD2 . ASP A 306 ? 0.9868 0.7784 0.7571 -0.0017 -0.0117 -0.0363 304 ASP A OD2 2340 N N . ILE A 307 ? 0.7278 0.4889 0.4859 -0.0380 -0.0632 -0.0640 305 ILE A N 2341 C CA . ILE A 307 ? 0.7689 0.5235 0.5174 -0.0472 -0.0782 -0.0750 305 ILE A CA 2342 C C . ILE A 307 ? 0.6458 0.4231 0.4101 -0.0538 -0.0910 -0.0682 305 ILE A C 2343 O O . ILE A 307 ? 0.6777 0.4599 0.4274 -0.0562 -0.1032 -0.0724 305 ILE A O 2344 C CB . ILE A 307 ? 0.8294 0.5648 0.5882 -0.0549 -0.0800 -0.0841 305 ILE A CB 2345 C CG1 . ILE A 307 ? 1.0052 0.7158 0.7500 -0.0469 -0.0668 -0.0911 305 ILE A CG1 2346 C CG2 . ILE A 307 ? 0.6172 0.3481 0.3693 -0.0664 -0.0969 -0.0967 305 ILE A CG2 2347 C CD1 . ILE A 307 ? 1.0621 0.7604 0.7713 -0.0418 -0.0658 -0.1030 305 ILE A CD1 2348 N N . LEU A 308 ? 0.5959 0.3867 0.3897 -0.0562 -0.0883 -0.0578 306 LEU A N 2349 C CA . LEU A 308 ? 0.6325 0.4461 0.4453 -0.0609 -0.0976 -0.0505 306 LEU A CA 2350 C C . LEU A 308 ? 0.5938 0.4201 0.3932 -0.0536 -0.0986 -0.0439 306 LEU A C 2351 O O . LEU A 308 ? 0.6377 0.4757 0.4370 -0.0558 -0.1108 -0.0433 306 LEU A O 2352 C CB . LEU A 308 ? 0.5528 0.3770 0.3951 -0.0626 -0.0903 -0.0401 306 LEU A CB 2353 C CG . LEU A 308 ? 0.6004 0.4137 0.4597 -0.0710 -0.0895 -0.0434 306 LEU A CG 2354 C CD1 . LEU A 308 ? 0.6167 0.4416 0.5012 -0.0718 -0.0814 -0.0312 306 LEU A CD1 2355 C CD2 . LEU A 308 ? 0.5922 0.4077 0.4584 -0.0825 -0.1042 -0.0522 306 LEU A CD2 2356 N N . LEU A 309 ? 0.5169 0.3405 0.3057 -0.0449 -0.0856 -0.0389 307 LEU A N 2357 C CA . LEU A 309 ? 0.6305 0.4631 0.4066 -0.0386 -0.0839 -0.0319 307 LEU A CA 2358 C C . LEU A 309 ? 0.7387 0.5629 0.4836 -0.0375 -0.0925 -0.0388 307 LEU A C 2359 O O . LEU A 309 ? 0.7774 0.6113 0.5172 -0.0370 -0.1019 -0.0344 307 LEU A O 2360 C CB . LEU A 309 ? 0.5868 0.4185 0.3606 -0.0311 -0.0676 -0.0262 307 LEU A CB 2361 C CG . LEU A 309 ? 0.7158 0.5527 0.4747 -0.0252 -0.0622 -0.0195 307 LEU A CG 2362 C CD1 . LEU A 309 ? 0.6183 0.4709 0.3899 -0.0264 -0.0683 -0.0100 307 LEU A CD1 2363 C CD2 . LEU A 309 ? 0.6022 0.4395 0.3641 -0.0196 -0.0461 -0.0159 307 LEU A CD2 2364 N N . GLU A 310 ? 0.6265 0.4320 0.3496 -0.0366 -0.0894 -0.0497 308 GLU A N 2365 C CA . GLU A 310 ? 0.7917 0.5868 0.4805 -0.0359 -0.0972 -0.0583 308 GLU A CA 2366 C C . GLU A 310 ? 0.8206 0.6231 0.5113 -0.0432 -0.1179 -0.0625 308 GLU A C 2367 O O . GLU A 310 ? 0.8631 0.6709 0.5363 -0.0403 -0.1248 -0.0620 308 GLU A O 2368 C CB . GLU A 310 ? 1.0178 0.7900 0.6867 -0.0351 -0.0907 -0.0722 308 GLU A CB 2369 C CG . GLU A 310 ? 1.2690 1.0307 0.9038 -0.0265 -0.0793 -0.0742 308 GLU A CG 2370 C CD . GLU A 310 ? 1.4250 1.1786 1.0658 -0.0198 -0.0597 -0.0743 308 GLU A CD 2371 O OE1 . GLU A 310 ? 1.4287 1.1656 1.0699 -0.0207 -0.0568 -0.0853 308 GLU A OE1 2372 O OE2 . GLU A 310 ? 1.4523 1.2167 1.0992 -0.0138 -0.0475 -0.0634 308 GLU A OE2 2373 N N . LEU A 311 ? 0.7803 0.5889 0.5008 -0.0516 -0.1247 -0.0647 309 LEU A N 2374 C CA . LEU A 311 ? 0.7464 0.5654 0.4768 -0.0595 -0.1432 -0.0701 309 LEU A CA 2375 C C . LEU A 311 ? 0.8346 0.6780 0.5886 -0.0597 -0.1518 -0.0585 309 LEU A C 2376 O O . LEU A 311 ? 0.8048 0.6641 0.5770 -0.0648 -0.1647 -0.0605 309 LEU A O 2377 C CB . LEU A 311 ? 0.8207 0.6314 0.5703 -0.0702 -0.1457 -0.0804 309 LEU A CB 2378 C CG . LEU A 311 ? 0.9881 0.7742 0.7174 -0.0706 -0.1392 -0.0941 309 LEU A CG 2379 C CD1 . LEU A 311 ? 0.9553 0.7363 0.7067 -0.0823 -0.1443 -0.1038 309 LEU A CD1 2380 C CD2 . LEU A 311 ? 1.0315 0.8158 0.7292 -0.0650 -0.1418 -0.1004 309 LEU A CD2 2381 N N . GLY A 312 ? 0.8510 0.7016 0.6117 -0.0527 -0.1409 -0.0457 310 GLY A N 2382 C CA . GLY A 312 ? 0.6927 0.5647 0.4755 -0.0510 -0.1464 -0.0348 310 GLY A CA 2383 C C . GLY A 312 ? 0.6336 0.5192 0.4557 -0.0587 -0.1478 -0.0339 310 GLY A C 2384 O O . GLY A 312 ? 0.6735 0.5783 0.5175 -0.0589 -0.1551 -0.0280 310 GLY A O 2385 N N . GLN A 313 ? 0.6221 0.4974 0.4533 -0.0644 -0.1398 -0.0392 311 GLN A N 2386 C CA . GLN A 313 ? 0.6487 0.5349 0.5151 -0.0724 -0.1394 -0.0376 311 GLN A CA 2387 C C . GLN A 313 ? 0.6266 0.5196 0.5090 -0.0679 -0.1243 -0.0263 311 GLN A C 2388 O O . GLN A 313 ? 0.6685 0.5520 0.5558 -0.0693 -0.1131 -0.0257 311 GLN A O 2389 C CB . GLN A 313 ? 0.6480 0.5184 0.5173 -0.0820 -0.1396 -0.0484 311 GLN A CB 2390 C CG . GLN A 313 ? 0.7972 0.6633 0.6552 -0.0891 -0.1568 -0.0615 311 GLN A CG 2391 C CD . GLN A 313 ? 0.9313 0.7758 0.7881 -0.0987 -0.1556 -0.0739 311 GLN A CD 2392 O OE1 . GLN A 313 ? 1.0076 0.8447 0.8814 -0.1019 -0.1440 -0.0708 311 GLN A OE1 2393 N NE2 . GLN A 313 ? 0.8270 0.6647 0.6665 -0.1005 -0.1635 -0.0862 311 GLN A NE2 2394 N N . PHE A 314 ? 0.5347 0.4435 0.4245 -0.0623 -0.1247 -0.0176 312 PHE A N 2395 C CA . PHE A 314 ? 0.5197 0.4360 0.4235 -0.0584 -0.1118 -0.0081 312 PHE A CA 2396 C C . PHE A 314 ? 0.5521 0.4877 0.4724 -0.0552 -0.1163 -0.0014 312 PHE A C 2397 O O . PHE A 314 ? 0.5579 0.5006 0.4762 -0.0539 -0.1293 -0.0025 312 PHE A O 2398 C CB . PHE A 314 ? 0.5096 0.4143 0.3918 -0.0507 -0.1001 -0.0049 312 PHE A CB 2399 C CG . PHE A 314 ? 0.4972 0.3967 0.3533 -0.0445 -0.1044 -0.0047 312 PHE A CG 2400 C CD1 . PHE A 314 ? 0.4391 0.3474 0.2958 -0.0388 -0.1048 0.0033 312 PHE A CD1 2401 C CD2 . PHE A 314 ? 0.4909 0.3747 0.3205 -0.0441 -0.1070 -0.0123 312 PHE A CD2 2402 C CE1 . PHE A 314 ? 0.5595 0.4612 0.3907 -0.0331 -0.1079 0.0053 312 PHE A CE1 2403 C CE2 . PHE A 314 ? 0.5256 0.4041 0.3280 -0.0383 -0.1099 -0.0112 312 PHE A CE2 2404 C CZ . PHE A 314 ? 0.5300 0.4173 0.3332 -0.0330 -0.1104 -0.0016 312 PHE A CZ 2405 N N . LYS A 315 ? 0.5071 0.4509 0.4430 -0.0532 -0.1058 0.0054 313 LYS A N 2406 C CA . LYS A 315 ? 0.5051 0.4652 0.4576 -0.0491 -0.1072 0.0113 313 LYS A CA 2407 C C . LYS A 315 ? 0.5081 0.4642 0.4416 -0.0404 -0.1107 0.0153 313 LYS A C 2408 O O . LYS A 315 ? 0.5268 0.4709 0.4407 -0.0365 -0.1025 0.0173 313 LYS A O 2409 C CB . LYS A 315 ? 0.4436 0.4089 0.4101 -0.0487 -0.0934 0.0161 313 LYS A CB 2410 C CG . LYS A 315 ? 0.3875 0.3695 0.3757 -0.0457 -0.0927 0.0204 313 LYS A CG 2411 C CD . LYS A 315 ? 0.4606 0.4428 0.4515 -0.0438 -0.0783 0.0241 313 LYS A CD 2412 C CE . LYS A 315 ? 0.3891 0.3839 0.3968 -0.0390 -0.0755 0.0274 313 LYS A CE 2413 N NZ . LYS A 315 ? 0.3927 0.4045 0.4265 -0.0420 -0.0814 0.0264 313 LYS A NZ 2414 N N . LYS A 316 ? 0.4479 0.4144 0.3878 -0.0374 -0.1228 0.0169 314 LYS A N 2415 C CA . LYS A 316 ? 0.4816 0.4429 0.4026 -0.0286 -0.1270 0.0224 314 LYS A CA 2416 C C . LYS A 316 ? 0.4817 0.4473 0.4142 -0.0218 -0.1183 0.0304 314 LYS A C 2417 O O . LYS A 316 ? 0.4685 0.4481 0.4223 -0.0183 -0.1233 0.0336 314 LYS A O 2418 C CB . LYS A 316 ? 0.3366 0.3061 0.2564 -0.0270 -0.1458 0.0213 314 LYS A CB 2419 C CG . LYS A 316 ? 0.5162 0.4777 0.4176 -0.0333 -0.1555 0.0120 314 LYS A CG 2420 C CD . LYS A 316 ? 0.5821 0.5215 0.4521 -0.0332 -0.1447 0.0094 314 LYS A CD 2421 C CE . LYS A 316 ? 0.5759 0.5042 0.4202 -0.0368 -0.1547 0.0000 314 LYS A CE 2422 N NZ . LYS A 316 ? 0.5100 0.4459 0.3727 -0.0468 -0.1652 -0.0097 314 LYS A NZ 2423 N N . THR A 317 ? 0.4547 0.4086 0.3745 -0.0203 -0.1051 0.0329 315 THR A N 2424 C CA . THR A 317 ? 0.4940 0.4492 0.4236 -0.0156 -0.0957 0.0385 315 THR A CA 2425 C C . THR A 317 ? 0.4549 0.3943 0.3620 -0.0130 -0.0864 0.0421 315 THR A C 2426 O O . THR A 317 ? 0.4766 0.4057 0.3615 -0.0142 -0.0864 0.0406 315 THR A O 2427 C CB . THR A 317 ? 0.4465 0.4117 0.3991 -0.0200 -0.0861 0.0359 315 THR A CB 2428 O OG1 . THR A 317 ? 0.4336 0.4013 0.3972 -0.0150 -0.0795 0.0397 315 THR A OG1 2429 C CG2 . THR A 317 ? 0.3225 0.2799 0.2652 -0.0251 -0.0760 0.0329 315 THR A CG2 2430 N N . GLN A 318 ? 0.4068 0.3809 0.3533 0.0038 -0.1232 -0.0203 316 GLN A N 2431 C CA . GLN A 318 ? 0.4443 0.3881 0.3586 0.0078 -0.1209 -0.0105 316 GLN A CA 2432 C C . GLN A 318 ? 0.4600 0.3867 0.3692 -0.0038 -0.1080 -0.0055 316 GLN A C 2433 O O . GLN A 318 ? 0.5961 0.5294 0.5214 -0.0099 -0.0988 -0.0054 316 GLN A O 2434 C CB . GLN A 318 ? 0.3744 0.3087 0.2776 0.0218 -0.1214 -0.0038 316 GLN A CB 2435 C CG . GLN A 318 ? 0.4856 0.4357 0.3918 0.0372 -0.1343 -0.0065 316 GLN A CG 2436 C CD . GLN A 318 ? 0.5554 0.5385 0.4956 0.0389 -0.1357 -0.0148 316 GLN A CD 2437 O OE1 . GLN A 318 ? 0.5429 0.5300 0.4985 0.0333 -0.1245 -0.0150 316 GLN A OE1 2438 N NE2 . GLN A 318 ? 0.4921 0.5014 0.4441 0.0468 -0.1493 -0.0220 316 GLN A NE2 2439 N N . ILE A 319 ? 0.4292 0.3356 0.3157 -0.0058 -0.1070 -0.0009 317 ILE A N 2440 C CA . ILE A 319 ? 0.4359 0.3282 0.3166 -0.0143 -0.0961 0.0042 317 ILE A CA 2441 C C . ILE A 319 ? 0.4699 0.3437 0.3316 -0.0109 -0.0904 0.0113 317 ILE A C 2442 O O . ILE A 319 ? 0.5731 0.4420 0.4263 -0.0045 -0.0908 0.0122 317 ILE A O 2443 C CB . ILE A 319 ? 0.4906 0.3805 0.3726 -0.0235 -0.0942 0.0009 317 ILE A CB 2444 C CG1 . ILE A 319 ? 0.4831 0.3678 0.3508 -0.0194 -0.0975 -0.0005 317 ILE A CG1 2445 C CG2 . ILE A 319 ? 0.4759 0.3830 0.3836 -0.0304 -0.0940 -0.0073 317 ILE A CG2 2446 C CD1 . ILE A 319 ? 0.5177 0.3966 0.3831 -0.0267 -0.0941 -0.0038 317 ILE A CD1 2447 N N . LEU A 320 ? 0.4595 0.3265 0.3195 -0.0161 -0.0820 0.0151 318 LEU A N 2448 C CA . LEU A 320 ? 0.4728 0.3293 0.3254 -0.0163 -0.0736 0.0177 318 LEU A CA 2449 C C . LEU A 320 ? 0.4403 0.2973 0.2954 -0.0239 -0.0671 0.0184 318 LEU A C 2450 O O . LEU A 320 ? 0.4951 0.3567 0.3551 -0.0276 -0.0651 0.0199 318 LEU A O 2451 C CB . LEU A 320 ? 0.4801 0.3322 0.3301 -0.0139 -0.0714 0.0188 318 LEU A CB 2452 C CG . LEU A 320 ? 0.6271 0.4669 0.4682 -0.0152 -0.0656 0.0193 318 LEU A CG 2453 C CD1 . LEU A 320 ? 0.6183 0.4481 0.4520 -0.0103 -0.0669 0.0195 318 LEU A CD1 2454 C CD2 . LEU A 320 ? 0.5922 0.4363 0.4366 -0.0233 -0.0591 0.0189 318 LEU A CD2 2455 N N . VAL A 321 ? 0.3862 0.2389 0.2366 -0.0250 -0.0639 0.0180 319 VAL A N 2456 C CA . VAL A 321 ? 0.3665 0.2205 0.2186 -0.0298 -0.0592 0.0182 319 VAL A CA 2457 C C . VAL A 321 ? 0.4960 0.3487 0.3449 -0.0312 -0.0534 0.0184 319 VAL A C 2458 O O . VAL A 321 ? 0.4509 0.2968 0.2918 -0.0295 -0.0532 0.0186 319 VAL A O 2459 C CB . VAL A 321 ? 0.4471 0.2973 0.2943 -0.0302 -0.0632 0.0165 319 VAL A CB 2460 C CG1 . VAL A 321 ? 0.3903 0.2381 0.2357 -0.0339 -0.0587 0.0171 319 VAL A CG1 2461 C CG2 . VAL A 321 ? 0.4357 0.2891 0.2862 -0.0309 -0.0714 0.0143 319 VAL A CG2 2462 N N . GLY A 322 ? 0.4706 0.3297 0.3242 -0.0342 -0.0490 0.0193 320 GLY A N 2463 C CA . GLY A 322 ? 0.4580 0.3170 0.3080 -0.0366 -0.0450 0.0198 320 GLY A CA 2464 C C . GLY A 322 ? 0.4794 0.3474 0.3340 -0.0381 -0.0416 0.0216 320 GLY A C 2465 O O . GLY A 322 ? 0.4478 0.3222 0.3086 -0.0364 -0.0416 0.0231 320 GLY A O 2466 N N . VAL A 323 ? 0.4627 0.3307 0.3125 -0.0411 -0.0387 0.0225 321 VAL A N 2467 C CA . VAL A 323 ? 0.4278 0.3054 0.2799 -0.0418 -0.0362 0.0253 321 VAL A CA 2468 C C . VAL A 323 ? 0.4946 0.3745 0.3415 -0.0488 -0.0348 0.0262 321 VAL A C 2469 O O . VAL A 323 ? 0.5098 0.3790 0.3488 -0.0538 -0.0340 0.0249 321 VAL A O 2470 C CB . VAL A 323 ? 0.4538 0.3283 0.3009 -0.0399 -0.0335 0.0262 321 VAL A CB 2471 C CG1 . VAL A 323 ? 0.3388 0.2073 0.1866 -0.0358 -0.0356 0.0252 321 VAL A CG1 2472 C CG2 . VAL A 323 ? 0.3821 0.2475 0.2187 -0.0428 -0.0312 0.0252 321 VAL A CG2 2473 N N . ASN A 324 ? 0.5211 0.4149 0.3703 -0.0496 -0.0348 0.0287 322 ASN A N 2474 C CA . ASN A 324 ? 0.4747 0.3760 0.3173 -0.0591 -0.0346 0.0287 322 ASN A CA 2475 C C . ASN A 324 ? 0.5666 0.4721 0.4078 -0.0619 -0.0287 0.0300 322 ASN A C 2476 O O . ASN A 324 ? 0.5868 0.4905 0.4270 -0.0551 -0.0267 0.0326 322 ASN A O 2477 C CB . ASN A 324 ? 0.5400 0.4636 0.3888 -0.0572 -0.0390 0.0285 322 ASN A CB 2478 C CG . ASN A 324 ? 0.5700 0.4924 0.4226 -0.0536 -0.0419 0.0264 322 ASN A CG 2479 O OD1 . ASN A 324 ? 0.5407 0.4463 0.3912 -0.0543 -0.0412 0.0247 322 ASN A OD1 2480 N ND2 . ASN A 324 ? 0.6009 0.5424 0.4583 -0.0485 -0.0448 0.0269 322 ASN A ND2 2481 N N . LYS A 325 ? 0.4724 0.3848 0.3181 -0.0718 -0.0243 0.0262 323 LYS A N 2482 C CA . LYS A 325 ? 0.5006 0.4202 0.3501 -0.0752 -0.0159 0.0261 323 LYS A CA 2483 C C . LYS A 325 ? 0.4897 0.4355 0.3534 -0.0670 -0.0154 0.0264 323 LYS A C 2484 O O . LYS A 325 ? 0.4992 0.4442 0.3615 -0.0629 -0.0093 0.0280 323 LYS A O 2485 C CB . LYS A 325 ? 0.4664 0.3889 0.3210 -0.0897 -0.0100 0.0215 323 LYS A CB 2486 C CG . LYS A 325 ? 0.5236 0.4598 0.3868 -0.0955 0.0004 0.0206 323 LYS A CG 2487 C CD . LYS A 325 ? 0.6562 0.5788 0.5166 -0.1111 0.0096 0.0188 323 LYS A CD 2488 C CE . LYS A 325 ? 0.8086 0.7580 0.6887 -0.1213 0.0193 0.0140 323 LYS A CE 2489 N NZ . LYS A 325 ? 0.8911 0.8764 0.7952 -0.1244 0.0119 0.0048 323 LYS A NZ 2490 N N . ASP A 326 ? 0.4196 0.3879 0.2953 -0.0630 -0.0216 0.0249 324 ASP A N 2491 C CA . ASP A 326 ? 0.5322 0.5260 0.4213 -0.0530 -0.0212 0.0263 324 ASP A CA 2492 C C . ASP A 326 ? 0.5632 0.5560 0.4501 -0.0390 -0.0272 0.0322 324 ASP A C 2493 O O . ASP A 326 ? 0.6265 0.6428 0.5222 -0.0324 -0.0322 0.0331 324 ASP A O 2494 C CB . ASP A 326 ? 0.5939 0.6235 0.5021 -0.0589 -0.0217 0.0199 324 ASP A CB 2495 C CG . ASP A 326 ? 0.6239 0.6542 0.5371 -0.0744 -0.0125 0.0144 324 ASP A CG 2496 O OD1 . ASP A 326 ? 0.5567 0.5840 0.4697 -0.0732 -0.0034 0.0165 324 ASP A OD1 2497 O OD2 . ASP A 326 ? 0.5942 0.6268 0.5110 -0.0881 -0.0132 0.0080 324 ASP A OD2 2498 N N . GLU A 327 ? 0.6007 0.5663 0.4754 -0.0346 -0.0262 0.0362 325 GLU A N 2499 C CA . GLU A 327 ? 0.5664 0.5240 0.4385 -0.0236 -0.0291 0.0422 325 GLU A CA 2500 C C . GLU A 327 ? 0.5756 0.5487 0.4572 -0.0098 -0.0273 0.0471 325 GLU A C 2501 O O . GLU A 327 ? 0.5383 0.5145 0.4200 -0.0006 -0.0303 0.0534 325 GLU A O 2502 C CB . GLU A 327 ? 0.5493 0.4772 0.4103 -0.0238 -0.0270 0.0428 325 GLU A CB 2503 C CG . GLU A 327 ? 0.5705 0.4824 0.4215 -0.0330 -0.0302 0.0401 325 GLU A CG 2504 C CD . GLU A 327 ? 0.6220 0.5369 0.4804 -0.0306 -0.0336 0.0399 325 GLU A CD 2505 O OE1 . GLU A 327 ? 0.6299 0.5540 0.4919 -0.0234 -0.0344 0.0449 325 GLU A OE1 2506 O OE2 . GLU A 327 ? 0.5773 0.4853 0.4371 -0.0349 -0.0347 0.0352 325 GLU A OE2 2507 N N . GLY A 328 ? 0.4421 0.4244 0.3308 -0.0073 -0.0216 0.0448 326 GLY A N 2508 C CA . GLY A 328 ? 0.4896 0.4819 0.3867 0.0081 -0.0187 0.0495 326 GLY A CA 2509 C C . GLY A 328 ? 0.4819 0.5121 0.3941 0.0156 -0.0223 0.0506 326 GLY A C 2510 O O . GLY A 328 ? 0.5819 0.6199 0.4995 0.0319 -0.0215 0.0569 326 GLY A O 2511 N N . THR A 329 ? 0.4546 0.5084 0.3738 0.0044 -0.0264 0.0442 327 THR A N 2512 C CA . THR A 329 ? 0.4759 0.5723 0.4129 0.0100 -0.0304 0.0421 327 THR A CA 2513 C C . THR A 329 ? 0.5291 0.6396 0.4645 0.0251 -0.0388 0.0498 327 THR A C 2514 O O . THR A 329 ? 0.5066 0.6464 0.4541 0.0398 -0.0411 0.0529 327 THR A O 2515 C CB . THR A 329 ? 0.3649 0.4834 0.3114 -0.0080 -0.0327 0.0313 327 THR A CB 2516 O OG1 . THR A 329 ? 0.4299 0.5345 0.3639 -0.0171 -0.0389 0.0296 327 THR A OG1 2517 C CG2 . THR A 329 ? 0.3854 0.4925 0.3336 -0.0211 -0.0224 0.0259 327 THR A CG2 2518 N N . ALA A 330 ? 0.4791 0.5693 0.3989 0.0228 -0.0428 0.0536 328 ALA A N 2519 C CA . ALA A 330 ? 0.4985 0.5998 0.4121 0.0360 -0.0497 0.0619 328 ALA A CA 2520 C C . ALA A 330 ? 0.5360 0.6329 0.4497 0.0580 -0.0461 0.0746 328 ALA A C 2521 O O . ALA A 330 ? 0.6369 0.7552 0.5499 0.0732 -0.0517 0.0820 328 ALA A O 2522 C CB . ALA A 330 ? 0.4611 0.5362 0.3574 0.0296 -0.0510 0.0643 328 ALA A CB 2523 N N . PHE A 331 ? 0.5346 0.6029 0.4477 0.0602 -0.0367 0.0767 329 PHE A N 2524 C CA . PHE A 331 ? 0.4907 0.5429 0.4013 0.0797 -0.0312 0.0887 329 PHE A CA 2525 C C . PHE A 331 ? 0.5169 0.5965 0.4433 0.0954 -0.0298 0.0894 329 PHE A C 2526 O O . PHE A 331 ? 0.5537 0.6305 0.4795 0.1163 -0.0276 0.1008 329 PHE A O 2527 C CB . PHE A 331 ? 0.3857 0.3925 0.2877 0.0744 -0.0220 0.0889 329 PHE A CB 2528 C CG . PHE A 331 ? 0.5169 0.5017 0.4066 0.0602 -0.0237 0.0879 329 PHE A CG 2529 C CD1 . PHE A 331 ? 0.5680 0.5379 0.4478 0.0661 -0.0232 0.0985 329 PHE A CD1 2530 C CD2 . PHE A 331 ? 0.5067 0.4870 0.3948 0.0418 -0.0253 0.0770 329 PHE A CD2 2531 C CE1 . PHE A 331 ? 0.4865 0.4411 0.3610 0.0512 -0.0242 0.0945 329 PHE A CE1 2532 C CE2 . PHE A 331 ? 0.4894 0.4524 0.3680 0.0309 -0.0273 0.0759 329 PHE A CE2 2533 C CZ . PHE A 331 ? 0.5418 0.4933 0.4131 0.0365 -0.0268 0.0851 329 PHE A CZ 2534 N N . LEU A 332 ? 0.5035 0.6103 0.4447 0.0857 -0.0304 0.0778 330 LEU A N 2535 C CA . LEU A 332 ? 0.5143 0.6517 0.4746 0.0986 -0.0280 0.0761 330 LEU A CA 2536 C C . LEU A 332 ? 0.5682 0.7480 0.5377 0.1168 -0.0379 0.0822 330 LEU A C 2537 O O . LEU A 332 ? 0.6979 0.8927 0.6781 0.1379 -0.0356 0.0878 330 LEU A O 2538 C CB . LEU A 332 ? 0.4964 0.6541 0.4711 0.0810 -0.0247 0.0619 330 LEU A CB 2539 C CG . LEU A 332 ? 0.5236 0.6460 0.4871 0.0618 -0.0168 0.0553 330 LEU A CG 2540 C CD1 . LEU A 332 ? 0.4726 0.6180 0.4496 0.0455 -0.0127 0.0438 330 LEU A CD1 2541 C CD2 . LEU A 332 ? 0.4346 0.5204 0.3891 0.0711 -0.0068 0.0588 330 LEU A CD2 2542 N N . VAL A 333 ? 0.4443 0.6443 0.4090 0.1103 -0.0491 0.0807 331 VAL A N 2543 C CA . VAL A 333 ? 0.5037 0.7487 0.4754 0.1279 -0.0604 0.0851 331 VAL A CA 2544 C C . VAL A 333 ? 0.6372 0.8536 0.5927 0.1462 -0.0572 0.1000 331 VAL A C 2545 O O . VAL A 333 ? 0.6917 0.9283 0.6488 0.1573 -0.0618 0.1021 331 VAL A O 2546 C CB . VAL A 333 ? 0.5138 0.7908 0.4868 0.1124 -0.0725 0.0739 331 VAL A CB 2547 C CG1 . VAL A 333 ? 0.5074 0.8117 0.5024 0.0913 -0.0722 0.0561 331 VAL A CG1 2548 C CG2 . VAL A 333 ? 0.6030 0.8406 0.5526 0.0986 -0.0717 0.0748 331 VAL A CG2 2549 N N . TYR A 334 ? 0.7104 0.8766 0.6511 0.1462 -0.0474 0.1082 332 TYR A N 2550 C CA . TYR A 334 ? 0.7200 0.8514 0.6475 0.1567 -0.0406 0.1196 332 TYR A CA 2551 C C . TYR A 334 ? 0.8977 1.0061 0.8288 0.1741 -0.0298 0.1276 332 TYR A C 2552 O O . TYR A 334 ? 0.9717 1.0409 0.8920 0.1782 -0.0212 0.1359 332 TYR A O 2553 C CB . TYR A 334 ? 0.6163 0.7078 0.5272 0.1403 -0.0369 0.1203 332 TYR A CB 2554 C CG . TYR A 334 ? 0.5671 0.6738 0.4711 0.1292 -0.0453 0.1153 332 TYR A CG 2555 C CD1 . TYR A 334 ? 0.4990 0.6084 0.3950 0.1382 -0.0466 0.1218 332 TYR A CD1 2556 C CD2 . TYR A 334 ? 0.4820 0.5992 0.3862 0.1105 -0.0513 0.1039 332 TYR A CD2 2557 C CE1 . TYR A 334 ? 0.5737 0.6961 0.4622 0.1296 -0.0535 0.1168 332 TYR A CE1 2558 C CE2 . TYR A 334 ? 0.6037 0.7319 0.5015 0.1013 -0.0579 0.0980 332 TYR A CE2 2559 C CZ . TYR A 334 ? 0.6121 0.7432 0.5021 0.1113 -0.0590 0.1043 332 TYR A CZ 2560 O OH . TYR A 334 ? 0.7275 0.8691 0.6097 0.1038 -0.0649 0.0983 332 TYR A OH 2561 N N . GLY A 335 ? 0.8684 1.0017 0.8165 0.1838 -0.0293 0.1241 333 GLY A N 2562 C CA . GLY A 335 ? 0.8432 0.9545 0.7955 0.2016 -0.0180 0.1298 333 GLY A CA 2563 C C . GLY A 335 ? 0.8027 0.9383 0.7756 0.2105 -0.0146 0.1232 333 GLY A C 2564 O O . GLY A 335 ? 0.8413 0.9780 0.8232 0.2298 -0.0083 0.1264 333 GLY A O 2565 N N . ALA A 336 ? 0.6614 0.8087 0.6418 0.1854 -0.0149 0.1071 334 ALA A N 2566 C CA . ALA A 336 ? 0.6215 0.7865 0.6210 0.1833 -0.0074 0.0952 334 ALA A CA 2567 C C . ALA A 336 ? 0.6353 0.8636 0.6604 0.1960 -0.0146 0.0926 334 ALA A C 2568 O O . ALA A 336 ? 0.6677 0.9340 0.6986 0.1893 -0.0272 0.0900 334 ALA A O 2569 C CB . ALA A 336 ? 0.5896 0.7456 0.5867 0.1532 -0.0042 0.0810 334 ALA A CB 2570 N N . PRO A 337 ? 0.6503 0.8917 0.6919 0.2150 -0.0066 0.0922 335 PRO A N 2571 C CA . PRO A 337 ? 0.6625 0.9687 0.7330 0.2288 -0.0128 0.0888 335 PRO A CA 2572 C C . PRO A 337 ? 0.6228 0.9705 0.7139 0.2027 -0.0142 0.0713 335 PRO A C 2573 O O . PRO A 337 ? 0.6701 0.9946 0.7573 0.1817 -0.0037 0.0620 335 PRO A O 2574 C CB . PRO A 337 ? 0.6001 0.8989 0.6811 0.2536 0.0000 0.0915 335 PRO A CB 2575 C CG . PRO A 337 ? 0.5850 0.8217 0.6466 0.2414 0.0144 0.0881 335 PRO A CG 2576 C CD . PRO A 337 ? 0.6248 0.8216 0.6596 0.2261 0.0087 0.0942 335 PRO A CD 2577 N N . GLY A 338 ? 0.5480 0.9560 0.6600 0.2040 -0.0270 0.0670 336 GLY A N 2578 C CA . GLY A 338 ? 0.5691 1.0197 0.7044 0.1788 -0.0281 0.0499 336 GLY A CA 2579 C C . GLY A 338 ? 0.6508 1.1005 0.7748 0.1530 -0.0388 0.0442 336 GLY A C 2580 O O . GLY A 338 ? 0.6813 1.1735 0.8260 0.1343 -0.0436 0.0305 336 GLY A O 2581 N N . PHE A 339 ? 0.6196 1.0208 0.7118 0.1518 -0.0417 0.0539 337 PHE A N 2582 C CA . PHE A 339 ? 0.5591 0.9504 0.6368 0.1284 -0.0498 0.0489 337 PHE A CA 2583 C C . PHE A 339 ? 0.6693 1.0908 0.7423 0.1392 -0.0674 0.0532 337 PHE A C 2584 O O . PHE A 339 ? 0.7312 1.1487 0.7955 0.1638 -0.0701 0.0656 337 PHE A O 2585 C CB . PHE A 339 ? 0.4809 0.8049 0.5282 0.1184 -0.0421 0.0549 337 PHE A CB 2586 C CG . PHE A 339 ? 0.5035 0.8000 0.5511 0.1024 -0.0272 0.0478 337 PHE A CG 2587 C CD1 . PHE A 339 ? 0.4937 0.7696 0.5413 0.1166 -0.0152 0.0518 337 PHE A CD1 2588 C CD2 . PHE A 339 ? 0.4213 0.7112 0.4672 0.0741 -0.0250 0.0371 337 PHE A CD2 2589 C CE1 . PHE A 339 ? 0.4449 0.6974 0.4895 0.1030 -0.0019 0.0448 337 PHE A CE1 2590 C CE2 . PHE A 339 ? 0.4871 0.7521 0.5296 0.0613 -0.0114 0.0322 337 PHE A CE2 2591 C CZ . PHE A 339 ? 0.4562 0.7038 0.4973 0.0757 -0.0002 0.0358 337 PHE A CZ 2592 N N . SER A 340 ? 0.6063 1.0477 0.6813 0.1172 -0.0762 0.0410 338 SER A N 2593 C CA . SER A 340 ? 0.5496 1.0050 0.6153 0.1185 -0.0881 0.0387 338 SER A CA 2594 C C . SER A 340 ? 0.5186 0.9695 0.5777 0.0905 -0.0928 0.0259 338 SER A C 2595 O O . SER A 340 ? 0.5438 1.0098 0.6201 0.0687 -0.0901 0.0131 338 SER A O 2596 C CB . SER A 340 ? 0.4983 1.0057 0.5889 0.1260 -0.0935 0.0301 338 SER A CB 2597 O OG . SER A 340 ? 0.5064 1.0278 0.5885 0.1238 -0.1043 0.0247 338 SER A OG 2598 N N . LYS A 341 ? 0.5392 0.9678 0.5743 0.0902 -0.0979 0.0289 339 LYS A N 2599 C CA . LYS A 341 ? 0.5672 0.9886 0.5959 0.0653 -0.1012 0.0158 339 LYS A CA 2600 C C . LYS A 341 ? 0.5717 1.0381 0.6221 0.0535 -0.1080 -0.0027 339 LYS A C 2601 O O . LYS A 341 ? 0.6631 1.1274 0.7138 0.0315 -0.1097 -0.0165 339 LYS A O 2602 C CB . LYS A 341 ? 0.4537 0.8369 0.4519 0.0682 -0.1026 0.0235 339 LYS A CB 2603 C CG . LYS A 341 ? 0.4303 0.8293 0.4214 0.0826 -0.1097 0.0256 339 LYS A CG 2604 C CD . LYS A 341 ? 0.5203 0.8903 0.4869 0.0768 -0.1109 0.0264 339 LYS A CD 2605 C CE . LYS A 341 ? 0.5568 0.9485 0.5163 0.0884 -0.1187 0.0260 339 LYS A CE 2606 N NZ . LYS A 341 ? 0.6576 1.0928 0.6345 0.0774 -0.1277 0.0067 339 LYS A NZ 2607 N N . ASP A 342 ? 0.4777 0.9826 0.5461 0.0684 -0.1114 -0.0031 340 ASP A N 2608 C CA . ASP A 342 ? 0.5815 1.1320 0.6728 0.0580 -0.1179 -0.0210 340 ASP A CA 2609 C C . ASP A 342 ? 0.5700 1.1556 0.6964 0.0515 -0.1122 -0.0295 340 ASP A C 2610 O O . ASP A 342 ? 0.4420 1.0689 0.5911 0.0465 -0.1166 -0.0428 340 ASP A O 2611 C CB . ASP A 342 ? 0.5568 1.1303 0.6420 0.0789 -0.1276 -0.0171 340 ASP A CB 2612 C CG . ASP A 342 ? 0.6277 1.1677 0.6791 0.0870 -0.1308 -0.0070 340 ASP A CG 2613 O OD1 . ASP A 342 ? 0.6180 1.1427 0.6588 0.0695 -0.1325 -0.0162 340 ASP A OD1 2614 O OD2 . ASP A 342 ? 0.6769 1.2042 0.7130 0.1109 -0.1303 0.0101 340 ASP A OD2 2615 N N . ASN A 343 ? 0.6137 1.1830 0.7443 0.0520 -0.1019 -0.0219 341 ASN A N 2616 C CA . ASN A 343 ? 0.6239 1.2207 0.7868 0.0445 -0.0925 -0.0289 341 ASN A CA 2617 C C . ASN A 343 ? 0.5824 1.1573 0.7472 0.0173 -0.0822 -0.0349 341 ASN A C 2618 O O . ASN A 343 ? 0.6005 1.1365 0.7396 0.0106 -0.0833 -0.0299 341 ASN A O 2619 C CB . ASN A 343 ? 0.6305 1.2244 0.7959 0.0714 -0.0859 -0.0132 341 ASN A CB 2620 C CG . ASN A 343 ? 0.6762 1.3066 0.8576 0.0933 -0.0902 -0.0121 341 ASN A CG 2621 O OD1 . ASN A 343 ? 0.7560 1.4109 0.9393 0.0939 -0.1010 -0.0190 341 ASN A OD1 2622 N ND2 . ASN A 343 ? 0.8617 1.4958 1.0548 0.1120 -0.0812 -0.0038 341 ASN A ND2 2623 N N . ASN A 344 ? 0.5399 1.1368 0.7337 0.0020 -0.0707 -0.0445 342 ASN A N 2624 C CA . ASN A 344 ? 0.5497 1.1064 0.7368 -0.0206 -0.0546 -0.0455 342 ASN A CA 2625 C C . ASN A 344 ? 0.4824 0.9996 0.6542 -0.0036 -0.0413 -0.0299 342 ASN A C 2626 O O . ASN A 344 ? 0.4665 0.9399 0.6243 -0.0170 -0.0271 -0.0277 342 ASN A O 2627 C CB . ASN A 344 ? 0.5266 1.1131 0.7461 -0.0487 -0.0445 -0.0624 342 ASN A CB 2628 C CG . ASN A 344 ? 0.6547 1.2818 0.9062 -0.0393 -0.0346 -0.0635 342 ASN A CG 2629 O OD1 . ASN A 344 ? 0.6718 1.3178 0.9267 -0.0100 -0.0399 -0.0549 342 ASN A OD1 2630 N ND2 . ASN A 344 ? 0.6938 1.3254 0.9647 -0.0631 -0.0183 -0.0731 342 ASN A ND2 2631 N N . SER A 345 ? 0.5377 1.0710 0.7117 0.0268 -0.0462 -0.0197 343 SER A N 2632 C CA . SER A 345 ? 0.5573 1.0481 0.7124 0.0461 -0.0360 -0.0050 343 SER A CA 2633 C C . SER A 345 ? 0.6216 1.0968 0.7834 0.0368 -0.0160 -0.0076 343 SER A C 2634 O O . SER A 345 ? 0.6164 1.0388 0.7529 0.0381 -0.0064 0.0001 343 SER A O 2635 C CB . SER A 345 ? 0.4743 0.9041 0.5901 0.0475 -0.0387 0.0061 343 SER A CB 2636 O OG . SER A 345 ? 0.4275 0.8693 0.5336 0.0598 -0.0551 0.0110 343 SER A OG 2637 N N . ILE A 346 ? 0.6564 1.1791 0.8521 0.0270 -0.0097 -0.0191 344 ILE A N 2638 C CA . ILE A 346 ? 0.5773 1.0943 0.7816 0.0237 0.0103 -0.0205 344 ILE A CA 2639 C C . ILE A 346 ? 0.5921 1.1065 0.7950 0.0565 0.0134 -0.0106 344 ILE A C 2640 O O . ILE A 346 ? 0.6383 1.1974 0.8626 0.0782 0.0045 -0.0097 344 ILE A O 2641 C CB . ILE A 346 ? 0.5216 1.0974 0.7674 0.0076 0.0173 -0.0350 344 ILE A CB 2642 C CG1 . ILE A 346 ? 0.5026 1.0753 0.7503 -0.0270 0.0167 -0.0457 344 ILE A CG1 2643 C CG2 . ILE A 346 ? 0.4117 0.9853 0.6662 0.0083 0.0394 -0.0353 344 ILE A CG2 2644 C CD1 . ILE A 346 ? 0.5179 1.0243 0.7317 -0.0448 0.0289 -0.0406 344 ILE A CD1 2645 N N . ILE A 347 ? 0.5913 1.0526 0.7680 0.0609 0.0255 -0.0036 345 ILE A N 2646 C CA . ILE A 347 ? 0.5915 1.0418 0.7643 0.0907 0.0302 0.0045 345 ILE A CA 2647 C C . ILE A 347 ? 0.6415 1.0873 0.8198 0.0894 0.0510 -0.0002 345 ILE A C 2648 O O . ILE A 347 ? 0.6245 1.0623 0.8001 0.0649 0.0622 -0.0067 345 ILE A O 2649 C CB . ILE A 347 ? 0.5349 0.9246 0.6708 0.1023 0.0254 0.0166 345 ILE A CB 2650 C CG1 . ILE A 347 ? 0.5253 0.8593 0.6317 0.0824 0.0348 0.0157 345 ILE A CG1 2651 C CG2 . ILE A 347 ? 0.4970 0.8918 0.6258 0.1054 0.0065 0.0224 345 ILE A CG2 2652 C CD1 . ILE A 347 ? 0.4178 0.6945 0.4926 0.0944 0.0335 0.0252 345 ILE A CD1 2653 N N . THR A 348 ? 0.5839 1.0338 0.7686 0.1168 0.0570 0.0034 346 THR A N 2654 C CA . THR A 348 ? 0.5787 1.0262 0.7680 0.1195 0.0773 -0.0018 346 THR A CA 2655 C C . THR A 348 ? 0.6152 0.9943 0.7655 0.1219 0.0853 0.0024 346 THR A C 2656 O O . THR A 348 ? 0.5929 0.9300 0.7168 0.1212 0.0751 0.0095 346 THR A O 2657 C CB . THR A 348 ? 0.5285 1.0151 0.7454 0.1501 0.0806 -0.0015 346 THR A CB 2658 O OG1 . THR A 348 ? 0.5287 0.9815 0.7272 0.1771 0.0730 0.0097 346 THR A OG1 2659 C CG2 . THR A 348 ? 0.4387 0.9996 0.6967 0.1511 0.0698 -0.0064 346 THR A CG2 2660 N N . ARG A 349 ? 0.5891 0.9599 0.7368 0.1247 0.1038 -0.0029 347 ARG A N 2661 C CA . ARG A 349 ? 0.5781 0.8895 0.6910 0.1293 0.1118 -0.0019 347 ARG A CA 2662 C C . ARG A 349 ? 0.6705 0.9572 0.7765 0.1577 0.1057 0.0052 347 ARG A C 2663 O O . ARG A 349 ? 0.7501 0.9838 0.8266 0.1578 0.1027 0.0088 347 ARG A O 2664 C CB . ARG A 349 ? 0.5319 0.8473 0.6455 0.1292 0.1335 -0.0105 347 ARG A CB 2665 C CG . ARG A 349 ? 0.6627 0.9198 0.7388 0.1319 0.1422 -0.0127 347 ARG A CG 2666 C CD . ARG A 349 ? 0.7504 1.0158 0.8251 0.1307 0.1642 -0.0219 347 ARG A CD 2667 N NE . ARG A 349 ? 0.8439 1.0619 0.8883 0.1420 0.1727 -0.0268 347 ARG A NE 2668 C CZ . ARG A 349 ? 0.8810 1.0589 0.8892 0.1273 0.1767 -0.0301 347 ARG A CZ 2669 N NH1 . ARG A 349 ? 0.8528 1.0295 0.8496 0.1019 0.1739 -0.0271 347 ARG A NH1 2670 N NH2 . ARG A 349 ? 0.8292 0.9683 0.8124 0.1386 0.1834 -0.0371 347 ARG A NH2 2671 N N . LYS A 350 ? 0.6469 0.9729 0.7813 0.1820 0.1041 0.0075 348 LYS A N 2672 C CA . LYS A 350 ? 0.7067 1.0098 0.8360 0.2117 0.1002 0.0160 348 LYS A CA 2673 C C . LYS A 350 ? 0.6777 0.9622 0.7935 0.2104 0.0818 0.0275 348 LYS A C 2674 O O . LYS A 350 ? 0.7233 0.9613 0.8186 0.2230 0.0803 0.0351 348 LYS A O 2675 C CB . LYS A 350 ? 0.7555 1.1084 0.9192 0.2406 0.1034 0.0165 348 LYS A CB 2676 C CG . LYS A 350 ? 0.8727 1.2079 1.0341 0.2745 0.0975 0.0286 348 LYS A CG 2677 C CD . LYS A 350 ? 1.0125 1.2745 1.1421 0.2822 0.1068 0.0302 348 LYS A CD 2678 C CE . LYS A 350 ? 1.0908 1.3400 1.2185 0.2852 0.1274 0.0172 348 LYS A CE 2679 N NZ . LYS A 350 ? 1.1110 1.2883 1.2060 0.2873 0.1348 0.0153 348 LYS A NZ 2680 N N . GLU A 351 ? 0.5983 0.9177 0.7252 0.1943 0.0692 0.0279 349 GLU A N 2681 C CA . GLU A 351 ? 0.6606 0.9643 0.7727 0.1912 0.0525 0.0376 349 GLU A CA 2682 C C . GLU A 351 ? 0.6309 0.8747 0.7088 0.1716 0.0534 0.0380 349 GLU A C 2683 O O . GLU A 351 ? 0.6573 0.8645 0.7161 0.1780 0.0470 0.0473 349 GLU A O 2684 C CB . GLU A 351 ? 0.7153 1.0727 0.8478 0.1782 0.0390 0.0349 349 GLU A CB 2685 C CG . GLU A 351 ? 0.7003 1.1140 0.8616 0.2040 0.0301 0.0389 349 GLU A CG 2686 C CD . GLU A 351 ? 0.6815 1.1613 0.8727 0.1889 0.0213 0.0292 349 GLU A CD 2687 O OE1 . GLU A 351 ? 0.7168 1.2139 0.9219 0.1666 0.0313 0.0172 349 GLU A OE1 2688 O OE2 . GLU A 351 ? 0.6284 1.1429 0.8288 0.1993 0.0047 0.0334 349 GLU A OE2 2689 N N . PHE A 352 ? 0.5444 0.7800 0.6155 0.1486 0.0620 0.0284 350 PHE A N 2690 C CA . PHE A 352 ? 0.5352 0.7179 0.5750 0.1319 0.0642 0.0270 350 PHE A CA 2691 C C . PHE A 352 ? 0.5642 0.6984 0.5854 0.1479 0.0702 0.0294 350 PHE A C 2692 O O . PHE A 352 ? 0.6362 0.7310 0.6373 0.1446 0.0642 0.0344 350 PHE A O 2693 C CB . PHE A 352 ? 0.5236 0.7091 0.5598 0.1115 0.0758 0.0170 350 PHE A CB 2694 C CG . PHE A 352 ? 0.4694 0.6056 0.4731 0.0956 0.0772 0.0152 350 PHE A CG 2695 C CD1 . PHE A 352 ? 0.4963 0.6206 0.4879 0.0763 0.0669 0.0177 350 PHE A CD1 2696 C CD2 . PHE A 352 ? 0.5245 0.6280 0.5100 0.1007 0.0884 0.0098 350 PHE A CD2 2697 C CE1 . PHE A 352 ? 0.5317 0.6142 0.4948 0.0634 0.0673 0.0162 350 PHE A CE1 2698 C CE2 . PHE A 352 ? 0.6400 0.7024 0.5958 0.0867 0.0879 0.0072 350 PHE A CE2 2699 C CZ . PHE A 352 ? 0.5494 0.6025 0.4949 0.0686 0.0770 0.0109 350 PHE A CZ 2700 N N . GLN A 353 ? 0.5114 0.6488 0.5406 0.1647 0.0831 0.0247 351 GLN A N 2701 C CA . GLN A 353 ? 0.5414 0.6329 0.5555 0.1807 0.0905 0.0247 351 GLN A CA 2702 C C . GLN A 353 ? 0.6712 0.7446 0.6844 0.1993 0.0824 0.0377 351 GLN A C 2703 O O . GLN A 353 ? 0.7260 0.7498 0.7205 0.2019 0.0846 0.0394 351 GLN A O 2704 C CB . GLN A 353 ? 0.5518 0.6553 0.5774 0.1975 0.1063 0.0166 351 GLN A CB 2705 C CG . GLN A 353 ? 0.6554 0.7488 0.6665 0.1809 0.1184 0.0035 351 GLN A CG 2706 C CD . GLN A 353 ? 0.7305 0.8490 0.7571 0.1955 0.1349 -0.0050 351 GLN A CD 2707 O OE1 . GLN A 353 ? 0.7052 0.8730 0.7619 0.2067 0.1359 -0.0028 351 GLN A OE1 2708 N NE2 . GLN A 353 ? 0.8271 0.9141 0.8335 0.1956 0.1479 -0.0158 351 GLN A NE2 2709 N N . GLU A 354 ? 0.7008 0.8148 0.7338 0.2117 0.0733 0.0469 352 GLU A N 2710 C CA . GLU A 354 ? 0.7233 0.8228 0.7528 0.2302 0.0655 0.0618 352 GLU A CA 2711 C C . GLU A 354 ? 0.7077 0.7827 0.7178 0.2113 0.0547 0.0675 352 GLU A C 2712 O O . GLU A 354 ? 0.7477 0.7841 0.7433 0.2188 0.0540 0.0772 352 GLU A O 2713 C CB . GLU A 354 ? 0.8776 1.0324 0.9322 0.2508 0.0576 0.0696 352 GLU A CB 2714 C CG . GLU A 354 ? 1.0277 1.2013 1.1020 0.2785 0.0683 0.0679 352 GLU A CG 2715 C CD . GLU A 354 ? 1.1872 1.3026 1.2461 0.2969 0.0806 0.0712 352 GLU A CD 2716 O OE1 . GLU A 354 ? 1.2275 1.3073 1.2715 0.3065 0.0767 0.0847 352 GLU A OE1 2717 O OE2 . GLU A 354 ? 1.2091 1.3131 1.2702 0.3009 0.0952 0.0599 352 GLU A OE2 2718 N N . GLY A 355 ? 0.6600 0.7568 0.6704 0.1868 0.0478 0.0614 353 GLY A N 2719 C CA . GLY A 355 ? 0.5737 0.6478 0.5661 0.1675 0.0389 0.0643 353 GLY A CA 2720 C C . GLY A 355 ? 0.6240 0.6416 0.5941 0.1587 0.0457 0.0608 353 GLY A C 2721 O O . GLY A 355 ? 0.6606 0.6477 0.6171 0.1564 0.0416 0.0679 353 GLY A O 2722 N N . LEU A 356 ? 0.6234 0.6293 0.5901 0.1540 0.0565 0.0490 354 LEU A N 2723 C CA . LEU A 356 ? 0.5726 0.5287 0.5191 0.1467 0.0625 0.0426 354 LEU A CA 2724 C C . LEU A 356 ? 0.6816 0.5997 0.6236 0.1640 0.0669 0.0493 354 LEU A C 2725 O O . LEU A 356 ? 0.7689 0.6483 0.6965 0.1548 0.0661 0.0491 354 LEU A O 2726 C CB . LEU A 356 ? 0.5297 0.4842 0.4722 0.1424 0.0738 0.0284 354 LEU A CB 2727 C CG . LEU A 356 ? 0.6049 0.5824 0.5444 0.1214 0.0726 0.0215 354 LEU A CG 2728 C CD1 . LEU A 356 ? 0.6015 0.5668 0.5290 0.1180 0.0849 0.0086 354 LEU A CD1 2729 C CD2 . LEU A 356 ? 0.4325 0.3980 0.3586 0.1008 0.0612 0.0242 354 LEU A CD2 2730 N N . LYS A 357 ? 0.6704 0.5990 0.6258 0.1891 0.0722 0.0555 355 LYS A N 2731 C CA . LYS A 357 ? 0.8334 0.7222 0.7842 0.2070 0.0782 0.0637 355 LYS A CA 2732 C C . LYS A 357 ? 0.8437 0.7231 0.7887 0.2064 0.0691 0.0797 355 LYS A C 2733 O O . LYS A 357 ? 0.8743 0.7095 0.8092 0.2093 0.0740 0.0854 355 LYS A O 2734 C CB . LYS A 357 ? 0.9491 0.8515 0.9152 0.2371 0.0862 0.0681 355 LYS A CB 2735 C CG . LYS A 357 ? 1.0735 0.9247 1.0329 0.2557 0.0965 0.0742 355 LYS A CG 2736 C CD . LYS A 357 ? 1.2190 1.0899 1.1894 0.2761 0.0927 0.0895 355 LYS A CD 2737 C CE . LYS A 357 ? 1.3015 1.1876 1.2678 0.2712 0.0792 0.1052 355 LYS A CE 2738 N NZ . LYS A 357 ? 1.2981 1.1382 1.2473 0.2547 0.0796 0.1095 355 LYS A NZ 2739 N N . ILE A 358 ? 0.8020 0.7228 0.7531 0.2017 0.0569 0.0860 356 ILE A N 2740 C CA . ILE A 358 ? 0.7137 0.6315 0.6572 0.2000 0.0478 0.1001 356 ILE A CA 2741 C C . ILE A 358 ? 0.7613 0.6470 0.6894 0.1751 0.0461 0.0952 356 ILE A C 2742 O O . ILE A 358 ? 0.8264 0.6796 0.7448 0.1754 0.0478 0.1043 356 ILE A O 2743 C CB . ILE A 358 ? 0.7048 0.6776 0.6583 0.1985 0.0345 0.1036 356 ILE A CB 2744 C CG1 . ILE A 358 ? 0.7474 0.7588 0.7188 0.2250 0.0340 0.1093 356 ILE A CG1 2745 C CG2 . ILE A 358 ? 0.6940 0.6631 0.6359 0.1939 0.0253 0.1155 356 ILE A CG2 2746 C CD1 . ILE A 358 ? 0.7286 0.7220 0.6952 0.2487 0.0361 0.1255 356 ILE A CD1 2747 N N . PHE A 359 ? 0.6970 0.5927 0.6235 0.1541 0.0434 0.0813 357 PHE A N 2748 C CA . PHE A 359 ? 0.6794 0.5520 0.5928 0.1315 0.0398 0.0763 357 PHE A CA 2749 C C . PHE A 359 ? 0.6902 0.5198 0.5948 0.1252 0.0486 0.0659 357 PHE A C 2750 O O . PHE A 359 ? 0.6387 0.4445 0.5343 0.1101 0.0465 0.0629 357 PHE A O 2751 C CB . PHE A 359 ? 0.5788 0.4809 0.4925 0.1128 0.0318 0.0682 357 PHE A CB 2752 C CG . PHE A 359 ? 0.6434 0.5813 0.5634 0.1129 0.0215 0.0763 357 PHE A CG 2753 C CD1 . PHE A 359 ? 0.6269 0.5577 0.5384 0.1041 0.0142 0.0824 357 PHE A CD1 2754 C CD2 . PHE A 359 ? 0.6303 0.6109 0.5655 0.1220 0.0191 0.0765 357 PHE A CD2 2755 C CE1 . PHE A 359 ? 0.5997 0.5635 0.5149 0.1043 0.0044 0.0879 357 PHE A CE1 2756 C CE2 . PHE A 359 ? 0.5970 0.6130 0.5383 0.1214 0.0084 0.0815 357 PHE A CE2 2757 C CZ . PHE A 359 ? 0.5325 0.5388 0.4622 0.1128 0.0009 0.0870 357 PHE A CZ 2758 N N . PHE A 360 ? 0.6146 0.4356 0.5226 0.1374 0.0585 0.0592 358 PHE A N 2759 C CA . PHE A 360 ? 0.5761 0.3569 0.4754 0.1322 0.0670 0.0466 358 PHE A CA 2760 C C . PHE A 360 ? 0.7877 0.5416 0.6915 0.1539 0.0793 0.0495 358 PHE A C 2761 O O . PHE A 360 ? 0.7975 0.5452 0.7019 0.1614 0.0882 0.0380 358 PHE A O 2762 C CB . PHE A 360 ? 0.5735 0.3658 0.4671 0.1213 0.0681 0.0300 358 PHE A CB 2763 C CG . PHE A 360 ? 0.6623 0.4742 0.5496 0.1009 0.0575 0.0278 358 PHE A CG 2764 C CD1 . PHE A 360 ? 0.6211 0.4109 0.4962 0.0836 0.0529 0.0208 358 PHE A CD1 2765 C CD2 . PHE A 360 ? 0.5542 0.4067 0.4490 0.0994 0.0524 0.0322 358 PHE A CD2 2766 C CE1 . PHE A 360 ? 0.5198 0.3256 0.3887 0.0675 0.0436 0.0197 358 PHE A CE1 2767 C CE2 . PHE A 360 ? 0.5530 0.4183 0.4414 0.0812 0.0442 0.0304 358 PHE A CE2 2768 C CZ . PHE A 360 ? 0.5756 0.4165 0.4501 0.0664 0.0399 0.0248 358 PHE A CZ 2769 N N . PRO A 361 ? 0.8489 0.5842 0.7543 0.1646 0.0809 0.0653 359 PRO A N 2770 C CA . PRO A 361 ? 0.9402 0.6608 0.8524 0.1830 0.0899 0.0707 359 PRO A CA 2771 C C . PRO A 361 ? 1.0369 0.7213 0.9469 0.1784 0.1003 0.0542 359 PRO A C 2772 O O . PRO A 361 ? 1.1218 0.8041 1.0374 0.1946 0.1084 0.0510 359 PRO A O 2773 C CB . PRO A 361 ? 0.8862 0.6007 0.7987 0.1784 0.0858 0.0854 359 PRO A CB 2774 C CG . PRO A 361 ? 0.8856 0.6236 0.7939 0.1668 0.0743 0.0914 359 PRO A CG 2775 C CD . PRO A 361 ? 0.7636 0.4963 0.6647 0.1534 0.0732 0.0766 359 PRO A CD 2776 N N . GLY A 362 ? 0.9432 0.6029 0.8459 0.1564 0.0992 0.0429 360 GLY A N 2777 C CA . GLY A 362 ? 0.9508 0.5787 0.8525 0.1492 0.1068 0.0262 360 GLY A CA 2778 C C . GLY A 362 ? 0.9680 0.5940 0.8604 0.1442 0.1094 0.0048 360 GLY A C 2779 O O . GLY A 362 ? 0.9588 0.5619 0.8490 0.1363 0.1137 -0.0119 360 GLY A O 2780 N N . VAL A 363 ? 0.9290 0.5803 0.8151 0.1488 0.1071 0.0044 361 VAL A N 2781 C CA . VAL A 363 ? 0.8926 0.5516 0.7677 0.1397 0.1077 -0.0155 361 VAL A CA 2782 C C . VAL A 363 ? 0.8844 0.5475 0.7622 0.1589 0.1199 -0.0235 361 VAL A C 2783 O O . VAL A 363 ? 0.9489 0.6347 0.8397 0.1784 0.1231 -0.0113 361 VAL A O 2784 C CB . VAL A 363 ? 0.8344 0.5351 0.7061 0.1254 0.0954 -0.0131 361 VAL A CB 2785 C CG1 . VAL A 363 ? 0.8461 0.5564 0.7044 0.1175 0.0972 -0.0309 361 VAL A CG1 2786 C CG2 . VAL A 363 ? 0.7486 0.4434 0.6168 0.1066 0.0841 -0.0082 361 VAL A CG2 2787 N N . SER A 364 ? 0.8758 0.5198 0.7417 0.1533 0.1260 -0.0446 362 SER A N 2788 C CA . SER A 364 ? 0.8277 0.4777 0.6954 0.1681 0.1372 -0.0551 362 SER A CA 2789 C C . SER A 364 ? 0.8493 0.5444 0.7198 0.1767 0.1393 -0.0517 362 SER A C 2790 O O . SER A 364 ? 0.8341 0.5608 0.7037 0.1630 0.1286 -0.0447 362 SER A O 2791 C CB . SER A 364 ? 0.8876 0.5190 0.7408 0.1546 0.1387 -0.0792 362 SER A CB 2792 O OG . SER A 364 ? 1.0177 0.6601 0.8510 0.1387 0.1325 -0.0879 362 SER A OG 2793 N N . GLU A 365 ? 0.9011 0.6033 0.7779 0.1967 0.1523 -0.0570 363 GLU A N 2794 C CA . GLU A 365 ? 0.8966 0.6489 0.7835 0.2036 0.1548 -0.0533 363 GLU A CA 2795 C C . GLU A 365 ? 0.9105 0.6802 0.7794 0.1831 0.1521 -0.0645 363 GLU A C 2796 O O . GLU A 365 ? 0.7861 0.5967 0.6611 0.1762 0.1480 -0.0570 363 GLU A O 2797 C CB . GLU A 365 ? 0.9258 0.6815 0.8241 0.2290 0.1701 -0.0586 363 GLU A CB 2798 C CG . GLU A 365 ? 1.0836 0.8646 1.0088 0.2506 0.1687 -0.0396 363 GLU A CG 2799 C CD . GLU A 365 ? 1.3195 1.0797 1.2482 0.2492 0.1577 -0.0224 363 GLU A CD 2800 O OE1 . GLU A 365 ? 1.4677 1.1844 1.3876 0.2402 0.1565 -0.0262 363 GLU A OE1 2801 O OE2 . GLU A 365 ? 1.2959 1.0862 1.2370 0.2561 0.1502 -0.0054 363 GLU A OE2 2802 N N . PHE A 366 ? 1.0173 0.7549 0.8634 0.1731 0.1545 -0.0826 364 PHE A N 2803 C CA . PHE A 366 ? 1.0464 0.7957 0.8698 0.1557 0.1520 -0.0933 364 PHE A CA 2804 C C . PHE A 366 ? 0.9860 0.7409 0.8031 0.1341 0.1352 -0.0844 364 PHE A C 2805 O O . PHE A 366 ? 0.9239 0.7015 0.7296 0.1217 0.1313 -0.0834 364 PHE A O 2806 C CB . PHE A 366 ? 1.1882 0.9039 0.9879 0.1541 0.1590 -0.1171 364 PHE A CB 2807 C CG . PHE A 366 ? 1.4046 1.1278 1.2108 0.1703 0.1732 -0.1268 364 PHE A CG 2808 C CD1 . PHE A 366 ? 1.4487 1.2074 1.2695 0.1855 0.1841 -0.1185 364 PHE A CD1 2809 C CD2 . PHE A 366 ? 1.4798 1.1786 1.2805 0.1694 0.1749 -0.1447 364 PHE A CD2 2810 C CE1 . PHE A 366 ? 1.4793 1.2483 1.3087 0.1997 0.1964 -0.1273 364 PHE A CE1 2811 C CE2 . PHE A 366 ? 1.5075 1.2136 1.3145 0.1843 0.1875 -0.1541 364 PHE A CE2 2812 C CZ . PHE A 366 ? 1.5034 1.2443 1.3245 0.1996 0.1984 -0.1451 364 PHE A CZ 2813 N N . GLY A 367 ? 0.9342 0.6670 0.7586 0.1303 0.1263 -0.0773 365 GLY A N 2814 C CA . GLY A 367 ? 0.8367 0.5764 0.6586 0.1124 0.1112 -0.0680 365 GLY A CA 2815 C C . GLY A 367 ? 0.8401 0.6207 0.6765 0.1128 0.1073 -0.0510 365 GLY A C 2816 O O . GLY A 367 ? 0.8074 0.6055 0.6364 0.0980 0.0992 -0.0472 365 GLY A O 2817 N N . LYS A 368 ? 0.8307 0.6266 0.6884 0.1304 0.1129 -0.0413 366 LYS A N 2818 C CA . LYS A 368 ? 0.7863 0.6240 0.6613 0.1312 0.1083 -0.0269 366 LYS A CA 2819 C C . LYS A 368 ? 0.7232 0.5935 0.5964 0.1271 0.1152 -0.0320 366 LYS A C 2820 O O . LYS A 368 ? 0.8186 0.7156 0.6946 0.1144 0.1093 -0.0254 366 LYS A O 2821 C CB . LYS A 368 ? 0.7314 0.5793 0.6296 0.1530 0.1109 -0.0154 366 LYS A CB 2822 C CG . LYS A 368 ? 0.7941 0.6190 0.6950 0.1542 0.1024 -0.0035 366 LYS A CG 2823 C CD . LYS A 368 ? 0.9137 0.7476 0.8336 0.1787 0.1050 0.0099 366 LYS A CD 2824 C CE . LYS A 368 ? 1.0297 0.8276 0.9492 0.1982 0.1183 0.0044 366 LYS A CE 2825 N NZ . LYS A 368 ? 1.0856 0.8418 1.0021 0.2026 0.1176 0.0137 366 LYS A NZ 2826 N N . GLU A 369 ? 0.6532 0.5192 0.5212 0.1374 0.1290 -0.0440 367 GLU A N 2827 C CA . GLU A 369 ? 0.7513 0.6450 0.6154 0.1344 0.1393 -0.0498 367 GLU A CA 2828 C C . GLU A 369 ? 0.7964 0.6870 0.6355 0.1124 0.1340 -0.0523 367 GLU A C 2829 O O . GLU A 369 ? 0.8186 0.7377 0.6588 0.1038 0.1378 -0.0486 367 GLU A O 2830 C CB . GLU A 369 ? 0.8291 0.7106 0.6864 0.1498 0.1555 -0.0645 367 GLU A CB 2831 C CG . GLU A 369 ? 0.9596 0.8647 0.8068 0.1461 0.1687 -0.0721 367 GLU A CG 2832 C CD . GLU A 369 ? 1.0757 1.0315 0.9507 0.1482 0.1739 -0.0622 367 GLU A CD 2833 O OE1 . GLU A 369 ? 1.0871 1.0619 0.9904 0.1663 0.1769 -0.0577 367 GLU A OE1 2834 O OE2 . GLU A 369 ? 1.0897 1.0664 0.9586 0.1318 0.1751 -0.0590 367 GLU A OE2 2835 N N . SER A 370 ? 0.7468 0.6030 0.5643 0.1036 0.1256 -0.0585 368 SER A N 2836 C CA . SER A 370 ? 0.7392 0.5915 0.5320 0.0855 0.1189 -0.0600 368 SER A CA 2837 C C . SER A 370 ? 0.6979 0.5638 0.4991 0.0721 0.1059 -0.0454 368 SER A C 2838 O O . SER A 370 ? 0.7067 0.5824 0.4951 0.0597 0.1045 -0.0421 368 SER A O 2839 C CB . SER A 370 ? 0.7439 0.5603 0.5113 0.0813 0.1141 -0.0742 368 SER A CB 2840 O OG . SER A 370 ? 0.8750 0.6701 0.6510 0.0786 0.1025 -0.0716 368 SER A OG 2841 N N . ILE A 371 ? 0.6826 0.5475 0.5037 0.0753 0.0974 -0.0365 369 ILE A N 2842 C CA . ILE A 371 ? 0.6352 0.5172 0.4668 0.0649 0.0867 -0.0237 369 ILE A CA 2843 C C . ILE A 371 ? 0.6538 0.5742 0.5006 0.0641 0.0937 -0.0183 369 ILE A C 2844 O O . ILE A 371 ? 0.6577 0.5913 0.5020 0.0501 0.0904 -0.0131 369 ILE A O 2845 C CB . ILE A 371 ? 0.6015 0.4803 0.4519 0.0716 0.0786 -0.0146 369 ILE A CB 2846 C CG1 . ILE A 371 ? 0.6905 0.5314 0.5308 0.0716 0.0738 -0.0195 369 ILE A CG1 2847 C CG2 . ILE A 371 ? 0.6127 0.5096 0.4708 0.0605 0.0678 -0.0037 369 ILE A CG2 2848 C CD1 . ILE A 371 ? 0.6825 0.5164 0.5395 0.0800 0.0692 -0.0090 369 ILE A CD1 2849 N N . LEU A 372 ? 0.6596 0.5977 0.5236 0.0792 0.1043 -0.0202 370 LEU A N 2850 C CA . LEU A 372 ? 0.6124 0.5914 0.4953 0.0787 0.1125 -0.0173 370 LEU A CA 2851 C C . LEU A 372 ? 0.6733 0.6560 0.5375 0.0655 0.1222 -0.0216 370 LEU A C 2852 O O . LEU A 372 ? 0.6858 0.6900 0.5563 0.0520 0.1227 -0.0161 370 LEU A O 2853 C CB . LEU A 372 ? 0.5416 0.5397 0.4466 0.0999 0.1227 -0.0198 370 LEU A CB 2854 C CG . LEU A 372 ? 0.6453 0.6919 0.5746 0.0992 0.1319 -0.0185 370 LEU A CG 2855 C CD1 . LEU A 372 ? 0.6238 0.7026 0.5868 0.1163 0.1287 -0.0129 370 LEU A CD1 2856 C CD2 . LEU A 372 ? 0.7418 0.7928 0.6626 0.1031 0.1507 -0.0284 370 LEU A CD2 2857 N N . PHE A 373 ? 0.5319 0.4919 0.3714 0.0691 0.1303 -0.0316 371 PHE A N 2858 C CA . PHE A 373 ? 0.5090 0.4698 0.3251 0.0588 0.1404 -0.0346 371 PHE A CA 2859 C C . PHE A 373 ? 0.6597 0.6097 0.4588 0.0405 0.1300 -0.0271 371 PHE A C 2860 O O . PHE A 373 ? 0.6395 0.6034 0.4350 0.0289 0.1370 -0.0218 371 PHE A O 2861 C CB . PHE A 373 ? 0.5792 0.5139 0.3666 0.0665 0.1475 -0.0478 371 PHE A CB 2862 C CG . PHE A 373 ? 0.5919 0.5274 0.3505 0.0587 0.1590 -0.0504 371 PHE A CG 2863 C CD1 . PHE A 373 ? 0.6510 0.6132 0.4171 0.0621 0.1784 -0.0516 371 PHE A CD1 2864 C CD2 . PHE A 373 ? 0.5806 0.4916 0.3046 0.0489 0.1510 -0.0510 371 PHE A CD2 2865 C CE1 . PHE A 373 ? 0.7221 0.6834 0.4588 0.0551 0.1911 -0.0524 371 PHE A CE1 2866 C CE2 . PHE A 373 ? 0.6187 0.5292 0.3122 0.0436 0.1619 -0.0513 371 PHE A CE2 2867 C CZ . PHE A 373 ? 0.6511 0.5853 0.3497 0.0463 0.1827 -0.0515 371 PHE A CZ 2868 N N . HIS A 374 ? 0.6036 0.5282 0.3933 0.0383 0.1144 -0.0266 372 HIS A N 2869 C CA . HIS A 374 ? 0.5979 0.5100 0.3704 0.0238 0.1041 -0.0205 372 HIS A CA 2870 C C . HIS A 374 ? 0.7133 0.6465 0.5063 0.0131 0.1005 -0.0094 372 HIS A C 2871 O O . HIS A 374 ? 0.8263 0.7540 0.6056 0.0006 0.0985 -0.0037 372 HIS A O 2872 C CB . HIS A 374 ? 0.6296 0.5136 0.3917 0.0243 0.0888 -0.0238 372 HIS A CB 2873 C CG . HIS A 374 ? 0.8036 0.6713 0.5392 0.0137 0.0802 -0.0218 372 HIS A CG 2874 N ND1 . HIS A 374 ? 0.9091 0.7633 0.6124 0.0138 0.0834 -0.0288 372 HIS A ND1 2875 C CD2 . HIS A 374 ? 0.8529 0.7170 0.5887 0.0041 0.0686 -0.0135 372 HIS A CD2 2876 C CE1 . HIS A 374 ? 0.9246 0.7680 0.6098 0.0057 0.0733 -0.0238 372 HIS A CE1 2877 N NE2 . HIS A 374 ? 0.8996 0.7480 0.6049 -0.0003 0.0647 -0.0147 372 HIS A NE2 2878 N N . TYR A 375 ? 0.6957 0.6527 0.5204 0.0187 0.0998 -0.0068 373 TYR A N 2879 C CA . TYR A 375 ? 0.6958 0.6742 0.5411 0.0085 0.0941 0.0010 373 TYR A CA 2880 C C . TYR A 375 ? 0.7045 0.7198 0.5721 0.0039 0.1066 0.0017 373 TYR A C 2881 O O . TYR A 375 ? 0.5979 0.6359 0.4874 -0.0038 0.1019 0.0055 373 TYR A O 2882 C CB . TYR A 375 ? 0.6021 0.5835 0.4662 0.0158 0.0806 0.0043 373 TYR A CB 2883 C CG . TYR A 375 ? 0.5777 0.5301 0.4248 0.0101 0.0672 0.0067 373 TYR A CG 2884 C CD1 . TYR A 375 ? 0.5251 0.4482 0.3550 0.0162 0.0640 0.0018 373 TYR A CD1 2885 C CD2 . TYR A 375 ? 0.5676 0.5225 0.4166 -0.0023 0.0585 0.0124 373 TYR A CD2 2886 C CE1 . TYR A 375 ? 0.5811 0.4818 0.3984 0.0102 0.0521 0.0031 373 TYR A CE1 2887 C CE2 . TYR A 375 ? 0.5002 0.4307 0.3349 -0.0067 0.0471 0.0143 373 TYR A CE2 2888 C CZ . TYR A 375 ? 0.5740 0.4793 0.3939 -0.0005 0.0438 0.0099 373 TYR A CZ 2889 O OH . TYR A 375 ? 0.6851 0.5708 0.4946 -0.0052 0.0328 0.0109 373 TYR A OH 2890 N N . THR A 376 ? 0.8058 0.8286 0.6684 0.0078 0.1229 -0.0030 374 THR A N 2891 C CA . THR A 376 ? 0.8021 0.8640 0.6901 0.0038 0.1368 -0.0034 374 THR A CA 2892 C C . THR A 376 ? 0.7133 0.7743 0.5849 -0.0095 0.1536 -0.0023 374 THR A C 2893 O O . THR A 376 ? 0.6898 0.7826 0.5817 -0.0125 0.1688 -0.0040 374 THR A O 2894 C CB . THR A 376 ? 0.6093 0.6961 0.5198 0.0230 0.1448 -0.0094 374 THR A CB 2895 O OG1 . THR A 376 ? 0.6047 0.6681 0.4900 0.0336 0.1542 -0.0160 374 THR A OG1 2896 C CG2 . THR A 376 ? 0.5104 0.6038 0.4417 0.0365 0.1298 -0.0076 374 THR A CG2 2897 N N . ASP A 377 ? 0.7126 0.7388 0.5480 -0.0170 0.1518 0.0011 375 ASP A N 2898 C CA . ASP A 377 ? 0.7443 0.7669 0.5615 -0.0300 0.1680 0.0055 375 ASP A CA 2899 C C . ASP A 377 ? 0.6834 0.7212 0.5218 -0.0487 0.1686 0.0117 375 ASP A C 2900 O O . ASP A 377 ? 0.6196 0.6329 0.4413 -0.0591 0.1609 0.0182 375 ASP A O 2901 C CB . ASP A 377 ? 0.7774 0.7592 0.5484 -0.0308 0.1640 0.0086 375 ASP A CB 2902 C CG . ASP A 377 ? 0.9285 0.9044 0.6731 -0.0377 0.1839 0.0131 375 ASP A CG 2903 O OD1 . ASP A 377 ? 0.9456 0.9486 0.7112 -0.0449 0.2012 0.0143 375 ASP A OD1 2904 O OD2 . ASP A 377 ? 0.9724 0.9227 0.6855 -0.0341 0.1761 0.0156 375 ASP A OD2 2905 N N . TRP A 378 ? 0.6859 0.7647 0.5622 -0.0528 0.1775 0.0087 376 TRP A N 2906 C CA . TRP A 378 ? 0.6944 0.7923 0.5975 -0.0707 0.1753 0.0109 376 TRP A CA 2907 C C . TRP A 378 ? 0.7376 0.8180 0.6234 -0.0908 0.1897 0.0179 376 TRP A C 2908 O O . TRP A 378 ? 0.7862 0.8646 0.6574 -0.0928 0.2096 0.0200 376 TRP A O 2909 C CB . TRP A 378 ? 0.6801 0.8318 0.6300 -0.0709 0.1822 0.0041 376 TRP A CB 2910 C CG . TRP A 378 ? 0.6191 0.7942 0.5899 -0.0490 0.1725 -0.0016 376 TRP A CG 2911 C CD1 . TRP A 378 ? 0.5967 0.8054 0.5893 -0.0360 0.1840 -0.0074 376 TRP A CD1 2912 C CD2 . TRP A 378 ? 0.5295 0.6955 0.5016 -0.0367 0.1508 -0.0012 376 TRP A CD2 2913 N NE1 . TRP A 378 ? 0.6065 0.8250 0.6127 -0.0152 0.1703 -0.0099 376 TRP A NE1 2914 C CE2 . TRP A 378 ? 0.5569 0.7491 0.5503 -0.0158 0.1503 -0.0056 376 TRP A CE2 2915 C CE3 . TRP A 378 ? 0.5806 0.7187 0.5378 -0.0406 0.1329 0.0031 376 TRP A CE3 2916 C CZ2 . TRP A 378 ? 0.5759 0.7644 0.5743 0.0007 0.1332 -0.0046 376 TRP A CZ2 2917 C CZ3 . TRP A 378 ? 0.6552 0.7922 0.6183 -0.0252 0.1163 0.0032 376 TRP A CZ3 2918 C CH2 . TRP A 378 ? 0.6539 0.8145 0.6365 -0.0050 0.1168 0.0001 376 TRP A CH2 2919 N N . VAL A 379 ? 0.7546 0.8211 0.6413 -0.1051 0.1809 0.0219 377 VAL A N 2920 C CA . VAL A 379 ? 0.8370 0.8909 0.7181 -0.1248 0.1947 0.0284 377 VAL A CA 2921 C C . VAL A 379 ? 0.8148 0.9125 0.7367 -0.1355 0.2099 0.0230 377 VAL A C 2922 O O . VAL A 379 ? 0.8719 0.9677 0.7908 -0.1389 0.2248 0.0275 377 VAL A O 2923 C CB . VAL A 379 ? 0.7892 0.8210 0.6694 -0.1364 0.1808 0.0315 377 VAL A CB 2924 C CG1 . VAL A 379 ? 0.8015 0.8288 0.6937 -0.1528 0.1903 0.0349 377 VAL A CG1 2925 C CG2 . VAL A 379 ? 0.7030 0.6895 0.5430 -0.1251 0.1667 0.0385 377 VAL A CG2 2926 N N . ASP A 380 ? 0.7671 0.9070 0.7284 -0.1378 0.2034 0.0133 378 ASP A N 2927 C CA . ASP A 380 ? 0.8244 1.0137 0.8309 -0.1487 0.2145 0.0057 378 ASP A CA 2928 C C . ASP A 380 ? 0.8579 1.0969 0.8991 -0.1321 0.2059 -0.0040 378 ASP A C 2929 O O . ASP A 380 ? 0.9275 1.1659 0.9706 -0.1191 0.1839 -0.0057 378 ASP A O 2930 C CB . ASP A 380 ? 0.8884 1.0785 0.9155 -0.1697 0.2077 0.0033 378 ASP A CB 2931 C CG . ASP A 380 ? 0.9301 1.1736 1.0080 -0.1800 0.2129 -0.0070 378 ASP A CG 2932 O OD1 . ASP A 380 ? 0.8830 1.1508 0.9747 -0.1754 0.2278 -0.0078 378 ASP A OD1 2933 O OD2 . ASP A 380 ? 0.9467 1.2080 1.0502 -0.1921 0.2013 -0.0150 378 ASP A OD2 2934 N N . ASP A 381 ? 0.8330 1.1136 0.9013 -0.1307 0.2228 -0.0093 379 ASP A N 2935 C CA . ASP A 381 ? 0.8406 1.1750 0.9488 -0.1145 0.2157 -0.0183 379 ASP A CA 2936 C C . ASP A 381 ? 1.1356 1.5205 1.2910 -0.1297 0.2265 -0.0258 379 ASP A C 2937 O O . ASP A 381 ? 1.2640 1.6296 1.4147 -0.1482 0.2375 -0.0216 379 ASP A O 2938 C CB . ASP A 381 ? 0.7189 1.0495 0.8122 -0.0885 0.2221 -0.0177 379 ASP A CB 2939 C CG . ASP A 381 ? 0.9060 1.1958 0.9572 -0.0916 0.2409 -0.0110 379 ASP A CG 2940 O OD1 . ASP A 381 ? 1.0072 1.2472 1.0167 -0.0862 0.2310 -0.0047 379 ASP A OD1 2941 O OD2 . ASP A 381 ? 0.8482 1.1522 0.9072 -0.0966 0.2613 -0.0106 379 ASP A OD2 2942 N N . GLN A 382 ? 1.2607 1.7032 1.4597 -0.1190 0.2195 -0.0350 380 GLN A N 2943 C CA . GLN A 382 ? 1.2689 1.7319 1.4754 -0.0925 0.2019 -0.0375 380 GLN A CA 2944 C C . GLN A 382 ? 1.2216 1.6593 1.4138 -0.0947 0.1771 -0.0350 380 GLN A C 2945 O O . GLN A 382 ? 1.3319 1.7483 1.5051 -0.0730 0.1611 -0.0304 380 GLN A O 2946 C CB . GLN A 382 ? 1.2806 1.8135 1.5394 -0.0819 0.1992 -0.0471 380 GLN A CB 2947 C CG . GLN A 382 ? 1.2827 1.8317 1.5463 -0.0474 0.1849 -0.0465 380 GLN A CG 2948 C CD . GLN A 382 ? 1.2661 1.8107 1.5271 -0.0404 0.1566 -0.0447 380 GLN A CD 2949 O OE1 . GLN A 382 ? 1.2787 1.8601 1.5680 -0.0536 0.1456 -0.0515 380 GLN A OE1 2950 N NE2 . GLN A 382 ? 1.2227 1.7224 1.4493 -0.0202 0.1454 -0.0362 380 GLN A NE2 2951 N N . ARG A 383 ? 0.9863 1.4236 1.1868 -0.1219 0.1764 -0.0381 381 ARG A N 2952 C CA . ARG A 383 ? 0.7361 1.1508 0.9247 -0.1288 0.1556 -0.0376 381 ARG A CA 2953 C C . ARG A 383 ? 0.6648 1.0841 0.8501 -0.1025 0.1322 -0.0359 381 ARG A C 2954 O O . ARG A 383 ? 0.6290 1.0042 0.7789 -0.0869 0.1264 -0.0271 381 ARG A O 2955 C CB . ARG A 383 ? 0.6153 0.9630 0.7584 -0.1400 0.1596 -0.0281 381 ARG A CB 2956 C CG . ARG A 383 ? 0.6457 0.9739 0.7810 -0.1498 0.1414 -0.0291 381 ARG A CG 2957 C CD . ARG A 383 ? 0.7621 1.0262 0.8541 -0.1584 0.1450 -0.0194 381 ARG A CD 2958 N NE . ARG A 383 ? 0.7902 1.0358 0.8741 -0.1629 0.1263 -0.0207 381 ARG A NE 2959 C CZ . ARG A 383 ? 0.7862 1.0150 0.8521 -0.1445 0.1077 -0.0168 381 ARG A CZ 2960 N NH1 . ARG A 383 ? 0.7470 0.9727 0.8018 -0.1214 0.1055 -0.0117 381 ARG A NH1 2961 N NH2 . ARG A 383 ? 0.8435 1.0578 0.9030 -0.1497 0.0927 -0.0186 381 ARG A NH2 2962 N N . PRO A 384 ? 0.6177 1.0920 0.8404 -0.0977 0.1193 -0.0443 382 PRO A N 2963 C CA . PRO A 384 ? 0.5885 1.0826 0.8169 -0.0691 0.1003 -0.0424 382 PRO A CA 2964 C C . PRO A 384 ? 0.5358 0.9784 0.7251 -0.0570 0.0846 -0.0327 382 PRO A C 2965 O O . PRO A 384 ? 0.6404 1.0781 0.8217 -0.0305 0.0771 -0.0265 382 PRO A O 2966 C CB . PRO A 384 ? 0.6305 1.1868 0.9002 -0.0765 0.0872 -0.0543 382 PRO A CB 2967 C CG . PRO A 384 ? 0.5795 1.1387 0.8617 -0.1124 0.0981 -0.0634 382 PRO A CG 2968 C CD . PRO A 384 ? 0.5403 1.0621 0.8029 -0.1223 0.1227 -0.0571 382 PRO A CD 2969 N N . GLU A 385 ? 0.4266 0.8304 0.5928 -0.0755 0.0809 -0.0312 383 GLU A N 2970 C CA . GLU A 385 ? 0.4185 0.7805 0.5528 -0.0653 0.0653 -0.0233 383 GLU A CA 2971 C C . GLU A 385 ? 0.4849 0.7912 0.5812 -0.0557 0.0717 -0.0134 383 GLU A C 2972 O O . GLU A 385 ? 0.5875 0.8586 0.6586 -0.0489 0.0604 -0.0073 383 GLU A O 2973 C CB . GLU A 385 ? 0.5413 0.8897 0.6689 -0.0859 0.0558 -0.0271 383 GLU A CB 2974 C CG . GLU A 385 ? 0.6665 1.0027 0.7956 -0.1150 0.0704 -0.0320 383 GLU A CG 2975 C CD . GLU A 385 ? 0.7098 1.1019 0.8817 -0.1319 0.0748 -0.0454 383 GLU A CD 2976 O OE1 . GLU A 385 ? 0.6509 1.0644 0.8376 -0.1422 0.0619 -0.0548 383 GLU A OE1 2977 O OE2 . GLU A 385 ? 0.7556 1.1716 0.9470 -0.1355 0.0915 -0.0477 383 GLU A OE2 2978 N N . ASN A 386 ? 0.4957 0.7961 0.5882 -0.0551 0.0897 -0.0127 384 ASN A N 2979 C CA . ASN A 386 ? 0.4865 0.7369 0.5424 -0.0469 0.0956 -0.0057 384 ASN A CA 2980 C C . ASN A 386 ? 0.5637 0.7953 0.6060 -0.0230 0.0833 -0.0007 384 ASN A C 2981 O O . ASN A 386 ? 0.5559 0.7448 0.5693 -0.0225 0.0764 0.0043 384 ASN A O 2982 C CB . ASN A 386 ? 0.4685 0.7243 0.5248 -0.0452 0.1165 -0.0073 384 ASN A CB 2983 C CG . ASN A 386 ? 0.5844 0.8332 0.6359 -0.0698 0.1323 -0.0079 384 ASN A CG 2984 O OD1 . ASN A 386 ? 0.5550 0.7798 0.5933 -0.0865 0.1277 -0.0056 384 ASN A OD1 2985 N ND2 . ASN A 386 ? 0.5431 0.8110 0.6044 -0.0717 0.1526 -0.0104 384 ASN A ND2 2986 N N . TYR A 387 ? 0.5705 0.8344 0.6349 -0.0031 0.0813 -0.0018 385 TYR A N 2987 C CA . TYR A 387 ? 0.6177 0.8603 0.6695 0.0204 0.0738 0.0038 385 TYR A CA 2988 C C . TYR A 387 ? 0.6324 0.8624 0.6759 0.0221 0.0553 0.0091 385 TYR A C 2989 O O . TYR A 387 ? 0.4894 0.6801 0.5095 0.0306 0.0505 0.0148 385 TYR A O 2990 C CB . TYR A 387 ? 0.5555 0.8337 0.6325 0.0436 0.0777 0.0025 385 TYR A CB 2991 C CG . TYR A 387 ? 0.5635 0.8363 0.6371 0.0489 0.0968 -0.0014 385 TYR A CG 2992 C CD1 . TYR A 387 ? 0.5886 0.8136 0.6316 0.0569 0.1019 0.0001 385 TYR A CD1 2993 C CD2 . TYR A 387 ? 0.5246 0.8414 0.6257 0.0450 0.1101 -0.0080 385 TYR A CD2 2994 C CE1 . TYR A 387 ? 0.5863 0.8060 0.6231 0.0622 0.1194 -0.0051 385 TYR A CE1 2995 C CE2 . TYR A 387 ? 0.5075 0.8194 0.6034 0.0503 0.1291 -0.0118 385 TYR A CE2 2996 C CZ . TYR A 387 ? 0.5795 0.8419 0.6415 0.0593 0.1335 -0.0105 385 TYR A CZ 2997 O OH . TYR A 387 ? 0.6614 0.9185 0.7151 0.0654 0.1522 -0.0158 385 TYR A OH 2998 N N . ARG A 388 ? 0.5835 0.8481 0.6467 0.0129 0.0461 0.0061 386 ARG A N 2999 C CA . ARG A 388 ? 0.5064 0.7646 0.5621 0.0126 0.0293 0.0097 386 ARG A CA 3000 C C . ARG A 388 ? 0.5499 0.7577 0.5746 -0.0010 0.0281 0.0126 386 ARG A C 3001 O O . ARG A 388 ? 0.6204 0.7992 0.6265 0.0074 0.0201 0.0190 386 ARG A O 3002 C CB . ARG A 388 ? 0.4307 0.7351 0.5116 0.0003 0.0213 0.0022 386 ARG A CB 3003 C CG . ARG A 388 ? 0.2961 0.5989 0.3688 0.0002 0.0040 0.0042 386 ARG A CG 3004 C CD . ARG A 388 ? 0.2561 0.5978 0.3501 -0.0186 -0.0021 -0.0073 386 ARG A CD 3005 N NE . ARG A 388 ? 0.3369 0.6520 0.4213 -0.0452 0.0056 -0.0125 386 ARG A NE 3006 C CZ . ARG A 388 ? 0.4368 0.7765 0.5402 -0.0672 0.0072 -0.0240 386 ARG A CZ 3007 N NH1 . ARG A 388 ? 0.4171 0.8139 0.5525 -0.0666 0.0005 -0.0334 386 ARG A NH1 3008 N NH2 . ARG A 388 ? 0.4476 0.7551 0.5388 -0.0895 0.0157 -0.0265 386 ARG A NH2 3009 N N . GLU A 389 ? 0.5608 0.7588 0.5806 -0.0217 0.0370 0.0082 387 GLU A N 3010 C CA . GLU A 389 ? 0.5272 0.6796 0.5183 -0.0337 0.0365 0.0110 387 GLU A CA 3011 C C . GLU A 389 ? 0.5526 0.6660 0.5187 -0.0223 0.0404 0.0159 387 GLU A C 3012 O O . GLU A 389 ? 0.6558 0.7359 0.6008 -0.0226 0.0334 0.0196 387 GLU A O 3013 C CB . GLU A 389 ? 0.4226 0.5725 0.4135 -0.0562 0.0471 0.0068 387 GLU A CB 3014 C CG . GLU A 389 ? 0.6065 0.7902 0.6219 -0.0714 0.0433 -0.0005 387 GLU A CG 3015 C CD . GLU A 389 ? 0.7646 0.9412 0.7805 -0.0947 0.0566 -0.0040 387 GLU A CD 3016 O OE1 . GLU A 389 ? 0.8536 1.0196 0.8618 -0.0964 0.0719 -0.0015 387 GLU A OE1 3017 O OE2 . GLU A 389 ? 0.8902 1.0705 0.9132 -0.1111 0.0526 -0.0093 387 GLU A OE2 3018 N N . ALA A 390 ? 0.4523 0.5718 0.4220 -0.0127 0.0517 0.0144 388 ALA A N 3019 C CA . ALA A 390 ? 0.5205 0.6049 0.4674 -0.0024 0.0559 0.0160 388 ALA A CA 3020 C C . ALA A 390 ? 0.5256 0.5923 0.4667 0.0127 0.0453 0.0205 388 ALA A C 3021 O O . ALA A 390 ? 0.5371 0.5674 0.4561 0.0125 0.0426 0.0217 388 ALA A O 3022 C CB . ALA A 390 ? 0.5267 0.6240 0.4803 0.0067 0.0706 0.0121 388 ALA A CB 3023 N N . LEU A 391 ? 0.5070 0.5999 0.4680 0.0260 0.0398 0.0232 389 LEU A N 3024 C CA . LEU A 391 ? 0.4675 0.5423 0.4229 0.0415 0.0323 0.0295 389 LEU A CA 3025 C C . LEU A 391 ? 0.4344 0.4905 0.3769 0.0324 0.0209 0.0335 389 LEU A C 3026 O O . LEU A 391 ? 0.5593 0.5844 0.4878 0.0374 0.0180 0.0374 389 LEU A O 3027 C CB . LEU A 391 ? 0.4317 0.5393 0.4092 0.0607 0.0297 0.0333 389 LEU A CB 3028 C CG . LEU A 391 ? 0.6123 0.6981 0.5829 0.0794 0.0253 0.0421 389 LEU A CG 3029 C CD1 . LEU A 391 ? 0.6332 0.6793 0.5892 0.0859 0.0349 0.0401 389 LEU A CD1 3030 C CD2 . LEU A 391 ? 0.5852 0.7062 0.5764 0.1007 0.0222 0.0477 389 LEU A CD2 3031 N N . GLY A 392 ? 0.4417 0.5165 0.3901 0.0183 0.0153 0.0317 390 GLY A N 3032 C CA . GLY A 392 ? 0.3615 0.4201 0.2980 0.0094 0.0056 0.0341 390 GLY A CA 3033 C C . GLY A 392 ? 0.5095 0.5289 0.4235 0.0001 0.0081 0.0331 390 GLY A C 3034 O O . GLY A 392 ? 0.6130 0.6085 0.5147 0.0009 0.0022 0.0365 390 GLY A O 3035 N N . ASP A 393 ? 0.5210 0.5355 0.4296 -0.0080 0.0171 0.0287 391 ASP A N 3036 C CA . ASP A 393 ? 0.4517 0.4323 0.3372 -0.0151 0.0188 0.0277 391 ASP A CA 3037 C C . ASP A 393 ? 0.4782 0.4341 0.3526 -0.0038 0.0195 0.0276 391 ASP A C 3038 O O . ASP A 393 ? 0.5571 0.4872 0.4161 -0.0071 0.0147 0.0275 391 ASP A O 3039 C CB . ASP A 393 ? 0.4861 0.4679 0.3655 -0.0250 0.0295 0.0245 391 ASP A CB 3040 C CG . ASP A 393 ? 0.6560 0.6456 0.5387 -0.0413 0.0290 0.0244 391 ASP A CG 3041 O OD1 . ASP A 393 ? 0.5822 0.5643 0.4625 -0.0460 0.0194 0.0259 391 ASP A OD1 3042 O OD2 . ASP A 393 ? 0.7548 0.7570 0.6429 -0.0497 0.0395 0.0224 391 ASP A OD2 3043 N N . VAL A 394 ? 0.4428 0.4071 0.3266 0.0094 0.0255 0.0267 392 VAL A N 3044 C CA . VAL A 394 ? 0.4485 0.3877 0.3240 0.0199 0.0275 0.0251 392 VAL A CA 3045 C C . VAL A 394 ? 0.4397 0.3639 0.3147 0.0227 0.0186 0.0305 392 VAL A C 3046 O O . VAL A 394 ? 0.4696 0.3668 0.3323 0.0198 0.0164 0.0282 392 VAL A O 3047 C CB . VAL A 394 ? 0.5530 0.5046 0.4415 0.0360 0.0361 0.0240 392 VAL A CB 3048 C CG1 . VAL A 394 ? 0.3756 0.3001 0.2606 0.0486 0.0368 0.0245 392 VAL A CG1 3049 C CG2 . VAL A 394 ? 0.4956 0.4536 0.3798 0.0343 0.0477 0.0168 392 VAL A CG2 3050 N N . VAL A 395 ? 0.4112 0.3554 0.3000 0.0281 0.0139 0.0373 393 VAL A N 3051 C CA . VAL A 395 ? 0.4680 0.4003 0.3558 0.0323 0.0075 0.0443 393 VAL A CA 3052 C C . VAL A 395 ? 0.5591 0.4773 0.4356 0.0182 0.0006 0.0434 393 VAL A C 3053 O O . VAL A 395 ? 0.5675 0.4617 0.4371 0.0174 -0.0009 0.0441 393 VAL A O 3054 C CB . VAL A 395 ? 0.4114 0.3724 0.3132 0.0422 0.0033 0.0520 393 VAL A CB 3055 C CG1 . VAL A 395 ? 0.3920 0.3434 0.2890 0.0439 -0.0033 0.0601 393 VAL A CG1 3056 C CG2 . VAL A 395 ? 0.4616 0.4318 0.3743 0.0608 0.0099 0.0545 393 VAL A CG2 3057 N N . GLY A 396 ? 0.5508 0.4838 0.4270 0.0069 -0.0028 0.0413 394 GLY A N 3058 C CA . GLY A 396 ? 0.4856 0.4062 0.3514 -0.0050 -0.0087 0.0402 394 GLY A CA 3059 C C . GLY A 396 ? 0.5379 0.4324 0.3889 -0.0100 -0.0078 0.0354 394 GLY A C 3060 O O . GLY A 396 ? 0.6149 0.4940 0.4604 -0.0128 -0.0129 0.0357 394 GLY A O 3061 N N . ASP A 397 ? 0.4668 0.3587 0.3113 -0.0107 -0.0015 0.0306 395 ASP A N 3062 C CA . ASP A 397 ? 0.5049 0.3753 0.3323 -0.0143 -0.0016 0.0251 395 ASP A CA 3063 C C . ASP A 397 ? 0.5574 0.4094 0.3838 -0.0090 -0.0027 0.0218 395 ASP A C 3064 O O . ASP A 397 ? 0.5818 0.4190 0.3993 -0.0135 -0.0081 0.0179 395 ASP A O 3065 C CB . ASP A 397 ? 0.5319 0.4048 0.3508 -0.0141 0.0071 0.0209 395 ASP A CB 3066 C CG . ASP A 397 ? 0.5545 0.4384 0.3704 -0.0230 0.0098 0.0234 395 ASP A CG 3067 O OD1 . ASP A 397 ? 0.5694 0.4560 0.3883 -0.0297 0.0040 0.0270 395 ASP A OD1 3068 O OD2 . ASP A 397 ? 0.6030 0.4917 0.4134 -0.0238 0.0190 0.0214 395 ASP A OD2 3069 N N . TYR A 398 ? 0.5273 0.3804 0.3638 0.0008 0.0027 0.0227 396 TYR A N 3070 C CA . TYR A 398 ? 0.5615 0.3933 0.3981 0.0055 0.0046 0.0187 396 TYR A CA 3071 C C . TYR A 398 ? 0.5241 0.3475 0.3671 0.0033 -0.0006 0.0239 396 TYR A C 3072 O O . TYR A 398 ? 0.5801 0.3853 0.4206 -0.0009 -0.0022 0.0182 396 TYR A O 3073 C CB . TYR A 398 ? 0.5950 0.4270 0.4397 0.0184 0.0138 0.0189 396 TYR A CB 3074 C CG . TYR A 398 ? 0.5607 0.3679 0.4090 0.0242 0.0174 0.0170 396 TYR A CG 3075 C CD1 . TYR A 398 ? 0.5049 0.2891 0.3443 0.0186 0.0177 0.0052 396 TYR A CD1 3076 C CD2 . TYR A 398 ? 0.6114 0.4177 0.4715 0.0353 0.0210 0.0270 396 TYR A CD2 3077 C CE1 . TYR A 398 ? 0.5655 0.3245 0.4103 0.0218 0.0226 0.0022 396 TYR A CE1 3078 C CE2 . TYR A 398 ? 0.5650 0.3437 0.4280 0.0404 0.0267 0.0266 396 TYR A CE2 3079 C CZ . TYR A 398 ? 0.6651 0.4193 0.5216 0.0325 0.0281 0.0137 396 TYR A CZ 3080 O OH . TYR A 398 ? 0.8516 0.5766 0.7132 0.0356 0.0350 0.0123 396 TYR A OH 3081 N N . ASN A 399 ? 0.4389 0.2773 0.2903 0.0055 -0.0031 0.0336 397 ASN A N 3082 C CA . ASN A 399 ? 0.4764 0.3081 0.3326 0.0047 -0.0059 0.0400 397 ASN A CA 3083 C C . ASN A 399 ? 0.5242 0.3589 0.3767 -0.0059 -0.0137 0.0394 397 ASN A C 3084 O O . ASN A 399 ? 0.5311 0.3563 0.3865 -0.0088 -0.0150 0.0410 397 ASN A O 3085 C CB . ASN A 399 ? 0.4820 0.3279 0.3465 0.0151 -0.0043 0.0512 397 ASN A CB 3086 C CG . ASN A 399 ? 0.4854 0.3226 0.3549 0.0287 0.0039 0.0543 397 ASN A CG 3087 O OD1 . ASN A 399 ? 0.6011 0.4162 0.4721 0.0322 0.0087 0.0573 397 ASN A OD1 3088 N ND2 . ASN A 399 ? 0.4674 0.3218 0.3410 0.0365 0.0065 0.0536 397 ASN A ND2 3089 N N . PHE A 400 ? 0.4520 0.2988 0.2986 -0.0113 -0.0176 0.0373 398 PHE A N 3090 C CA . PHE A 400 ? 0.4223 0.2719 0.2659 -0.0188 -0.0243 0.0377 398 PHE A CA 3091 C C . PHE A 400 ? 0.4753 0.3191 0.3073 -0.0253 -0.0278 0.0314 398 PHE A C 3092 O O . PHE A 400 ? 0.5518 0.3873 0.3814 -0.0286 -0.0323 0.0275 398 PHE A O 3093 C CB . PHE A 400 ? 0.4161 0.2866 0.2662 -0.0182 -0.0259 0.0427 398 PHE A CB 3094 C CG . PHE A 400 ? 0.4912 0.3679 0.3482 -0.0100 -0.0242 0.0507 398 PHE A CG 3095 C CD1 . PHE A 400 ? 0.4875 0.3650 0.3530 -0.0093 -0.0238 0.0524 398 PHE A CD1 3096 C CD2 . PHE A 400 ? 0.5299 0.4190 0.3915 -0.0013 -0.0211 0.0547 398 PHE A CD2 3097 C CE1 . PHE A 400 ? 0.4808 0.3637 0.3509 -0.0008 -0.0208 0.0614 398 PHE A CE1 3098 C CE2 . PHE A 400 ? 0.4641 0.3591 0.3302 0.0092 -0.0198 0.0637 398 PHE A CE2 3099 C CZ . PHE A 400 ? 0.4286 0.3171 0.2953 0.0092 -0.0198 0.0685 398 PHE A CZ 3100 N N . ILE A 401 ? 0.4669 0.3167 0.2927 -0.0264 -0.0251 0.0304 399 ILE A N 3101 C CA . ILE A 401 ? 0.4905 0.3375 0.3076 -0.0310 -0.0269 0.0262 399 ILE A CA 3102 C C . ILE A 401 ? 0.5429 0.3729 0.3433 -0.0306 -0.0293 0.0209 399 ILE A C 3103 O O . ILE A 401 ? 0.6506 0.4783 0.4507 -0.0321 -0.0349 0.0174 399 ILE A O 3104 C CB . ILE A 401 ? 0.5698 0.4247 0.3825 -0.0337 -0.0213 0.0278 399 ILE A CB 3105 C CG1 . ILE A 401 ? 0.5347 0.4056 0.3590 -0.0360 -0.0211 0.0320 399 ILE A CG1 3106 C CG2 . ILE A 401 ? 0.4689 0.3198 0.2761 -0.0368 -0.0215 0.0252 399 ILE A CG2 3107 C CD1 . ILE A 401 ? 0.6304 0.5088 0.4509 -0.0427 -0.0156 0.0330 399 ILE A CD1 3108 N N . CYS A 402 ? 0.5322 0.3589 0.3312 -0.0267 -0.0238 0.0166 400 CYS A N 3109 C CA . CYS A 402 ? 0.5550 0.3701 0.3419 -0.0261 -0.0260 0.0076 400 CYS A CA 3110 C C . CYS A 402 ? 0.5827 0.3905 0.3768 -0.0282 -0.0329 0.0022 400 CYS A C 3111 O O . CYS A 402 ? 0.6092 0.4139 0.3936 -0.0301 -0.0400 -0.0041 400 CYS A O 3112 C CB . CYS A 402 ? 0.5199 0.3323 0.3026 -0.0213 -0.0174 0.0023 400 CYS A CB 3113 S SG . CYS A 402 ? 0.6839 0.5079 0.4578 -0.0211 -0.0086 0.0073 400 CYS A SG 3114 N N . PRO A 403 ? 0.5300 0.3366 0.3413 -0.0275 -0.0305 0.0049 401 PRO A N 3115 C CA . PRO A 403 ? 0.5550 0.3566 0.3753 -0.0319 -0.0357 0.0004 401 PRO A CA 3116 C C . PRO A 403 ? 0.5978 0.4074 0.4181 -0.0354 -0.0443 0.0031 401 PRO A C 3117 O O . PRO A 403 ? 0.5818 0.3914 0.4024 -0.0385 -0.0513 -0.0044 401 PRO A O 3118 C CB . PRO A 403 ? 0.5450 0.3423 0.3814 -0.0299 -0.0289 0.0063 401 PRO A CB 3119 C CG . PRO A 403 ? 0.5249 0.3296 0.3607 -0.0232 -0.0231 0.0148 401 PRO A CG 3120 C CD . PRO A 403 ? 0.4498 0.2587 0.2721 -0.0221 -0.0225 0.0111 401 PRO A CD 3121 N N . ALA A 404 ? 0.4686 0.2861 0.2894 -0.0346 -0.0439 0.0123 402 ALA A N 3122 C CA . ALA A 404 ? 0.4138 0.2366 0.2333 -0.0365 -0.0507 0.0144 402 ALA A CA 3123 C C . ALA A 404 ? 0.4813 0.3044 0.2910 -0.0351 -0.0556 0.0096 402 ALA A C 3124 O O . ALA A 404 ? 0.4935 0.3216 0.3088 -0.0345 -0.0616 0.0071 402 ALA A O 3125 C CB . ALA A 404 ? 0.3743 0.2116 0.2053 -0.0352 -0.0460 0.0192 402 ALA A CB 3126 N N . LEU A 405 ? 0.5002 0.3218 0.3001 -0.0329 -0.0512 0.0089 403 LEU A N 3127 C CA . LEU A 405 ? 0.5039 0.3280 0.2966 -0.0295 -0.0531 0.0065 403 LEU A CA 3128 C C . LEU A 405 ? 0.5274 0.3514 0.3161 -0.0286 -0.0599 -0.0027 403 LEU A C 3129 O O . LEU A 405 ? 0.6086 0.4403 0.3979 -0.0253 -0.0659 -0.0049 403 LEU A O 3130 C CB . LEU A 405 ? 0.4480 0.2705 0.2291 -0.0281 -0.0457 0.0082 403 LEU A CB 3131 C CG . LEU A 405 ? 0.4748 0.3025 0.2627 -0.0297 -0.0394 0.0146 403 LEU A CG 3132 C CD1 . LEU A 405 ? 0.4831 0.3100 0.2606 -0.0303 -0.0310 0.0160 403 LEU A CD1 3133 C CD2 . LEU A 405 ? 0.4566 0.2852 0.2448 -0.0277 -0.0416 0.0169 403 LEU A CD2 3134 N N . GLU A 406 ? 0.5799 0.3961 0.3662 -0.0315 -0.0586 -0.0097 404 GLU A N 3135 C CA . GLU A 406 ? 0.5988 0.4168 0.3876 -0.0324 -0.0631 -0.0225 404 GLU A CA 3136 C C . GLU A 406 ? 0.5004 0.3278 0.3081 -0.0359 -0.0701 -0.0263 404 GLU A C 3137 O O . GLU A 406 ? 0.5269 0.3664 0.3384 -0.0350 -0.0769 -0.0347 404 GLU A O 3138 C CB . GLU A 406 ? 0.5934 0.3974 0.3804 -0.0348 -0.0568 -0.0307 404 GLU A CB 3139 C CG . GLU A 406 ? 0.6746 0.4811 0.4673 -0.0368 -0.0594 -0.0461 404 GLU A CG 3140 C CD . GLU A 406 ? 0.8751 0.6908 0.6511 -0.0317 -0.0626 -0.0517 404 GLU A CD 3141 O OE1 . GLU A 406 ? 0.9226 0.7407 0.6833 -0.0265 -0.0609 -0.0421 404 GLU A OE1 3142 O OE2 . GLU A 406 ? 0.9049 0.7260 0.6844 -0.0334 -0.0659 -0.0662 404 GLU A OE2 3143 N N . PHE A 407 ? 0.4591 0.2829 0.2782 -0.0397 -0.0682 -0.0204 405 PHE A N 3144 C CA . PHE A 407 ? 0.5101 0.3434 0.3478 -0.0433 -0.0729 -0.0224 405 PHE A CA 3145 C C . PHE A 407 ? 0.5531 0.4014 0.3899 -0.0378 -0.0806 -0.0201 405 PHE A C 3146 O O . PHE A 407 ? 0.5417 0.4034 0.3894 -0.0385 -0.0875 -0.0286 405 PHE A O 3147 C CB . PHE A 407 ? 0.5431 0.3695 0.3910 -0.0472 -0.0670 -0.0141 405 PHE A CB 3148 C CG . PHE A 407 ? 0.4962 0.3340 0.3613 -0.0500 -0.0701 -0.0134 405 PHE A CG 3149 C CD1 . PHE A 407 ? 0.5394 0.3798 0.4252 -0.0573 -0.0683 -0.0207 405 PHE A CD1 3150 C CD2 . PHE A 407 ? 0.4089 0.2545 0.2703 -0.0456 -0.0738 -0.0063 405 PHE A CD2 3151 C CE1 . PHE A 407 ? 0.5102 0.3640 0.4137 -0.0602 -0.0698 -0.0204 405 PHE A CE1 3152 C CE2 . PHE A 407 ? 0.4841 0.3416 0.3617 -0.0470 -0.0758 -0.0065 405 PHE A CE2 3153 C CZ . PHE A 407 ? 0.5285 0.3919 0.4277 -0.0542 -0.0737 -0.0133 405 PHE A CZ 3154 N N . THR A 408 ? 0.5205 0.3665 0.3470 -0.0323 -0.0783 -0.0096 406 THR A N 3155 C CA . THR A 408 ? 0.5105 0.3656 0.3366 -0.0257 -0.0828 -0.0065 406 THR A CA 3156 C C . THR A 408 ? 0.5455 0.4098 0.3640 -0.0203 -0.0890 -0.0131 406 THR A C 3157 O O . THR A 408 ? 0.5532 0.4313 0.3776 -0.0166 -0.0972 -0.0172 406 THR A O 3158 C CB . THR A 408 ? 0.4949 0.3426 0.3141 -0.0225 -0.0757 0.0036 406 THR A CB 3159 O OG1 . THR A 408 ? 0.4394 0.2825 0.2653 -0.0273 -0.0701 0.0082 406 THR A OG1 3160 C CG2 . THR A 408 ? 0.4577 0.3103 0.2774 -0.0159 -0.0793 0.0063 406 THR A CG2 3161 N N . LYS A 409 ? 0.5193 0.3775 0.3237 -0.0194 -0.0852 -0.0143 407 LYS A N 3162 C CA . LYS A 409 ? 0.5778 0.4448 0.3715 -0.0148 -0.0904 -0.0213 407 LYS A CA 3163 C C . LYS A 409 ? 0.6178 0.5008 0.4248 -0.0182 -0.0994 -0.0355 407 LYS A C 3164 O O . LYS A 409 ? 0.6161 0.5154 0.4228 -0.0134 -0.1079 -0.0395 407 LYS A O 3165 C CB . LYS A 409 ? 0.5928 0.4498 0.3714 -0.0157 -0.0836 -0.0229 407 LYS A CB 3166 C CG . LYS A 409 ? 0.7553 0.6185 0.5159 -0.0096 -0.0860 -0.0259 407 LYS A CG 3167 C CD . LYS A 409 ? 0.9423 0.7946 0.6878 -0.0106 -0.0773 -0.0267 407 LYS A CD 3168 C CE . LYS A 409 ? 0.9867 0.8255 0.7324 -0.0129 -0.0670 -0.0153 407 LYS A CE 3169 N NZ . LYS A 409 ? 1.0582 0.8890 0.7894 -0.0133 -0.0580 -0.0164 407 LYS A NZ 3170 N N . LYS A 410 ? 0.6252 0.5040 0.4455 -0.0271 -0.0970 -0.0432 408 LYS A N 3171 C CA . LYS A 410 ? 0.5554 0.4483 0.3921 -0.0335 -0.1029 -0.0594 408 LYS A CA 3172 C C . LYS A 410 ? 0.5718 0.4806 0.4282 -0.0352 -0.1095 -0.0606 408 LYS A C 3173 O O . LYS A 410 ? 0.5273 0.4567 0.3949 -0.0376 -0.1175 -0.0726 408 LYS A O 3174 C CB . LYS A 410 ? 0.6040 0.4831 0.4508 -0.0432 -0.0954 -0.0670 408 LYS A CB 3175 C CG . LYS A 410 ? 0.7165 0.5858 0.5472 -0.0420 -0.0910 -0.0733 408 LYS A CG 3176 C CD . LYS A 410 ? 0.8250 0.6756 0.6656 -0.0494 -0.0813 -0.0780 408 LYS A CD 3177 C CE . LYS A 410 ? 1.0268 0.8717 0.8571 -0.0492 -0.0783 -0.0910 408 LYS A CE 3178 N NZ . LYS A 410 ? 1.1545 1.0192 0.9907 -0.0528 -0.0863 -0.1093 408 LYS A NZ 3179 N N . PHE A 411 ? 0.5642 0.4650 0.4247 -0.0345 -0.1062 -0.0488 409 PHE A N 3180 C CA . PHE A 411 ? 0.5562 0.4711 0.4343 -0.0351 -0.1117 -0.0490 409 PHE A CA 3181 C C . PHE A 411 ? 0.6509 0.5815 0.5210 -0.0235 -0.1206 -0.0468 409 PHE A C 3182 O O . PHE A 411 ? 0.6399 0.5928 0.5246 -0.0231 -0.1295 -0.0546 409 PHE A O 3183 C CB . PHE A 411 ? 0.5490 0.4503 0.4295 -0.0368 -0.1052 -0.0369 409 PHE A CB 3184 C CG . PHE A 411 ? 0.5168 0.4313 0.4166 -0.0388 -0.1097 -0.0379 409 PHE A CG 3185 C CD1 . PHE A 411 ? 0.4634 0.3891 0.3606 -0.0284 -0.1165 -0.0338 409 PHE A CD1 3186 C CD2 . PHE A 411 ? 0.5128 0.4277 0.4346 -0.0509 -0.1057 -0.0425 409 PHE A CD2 3187 C CE1 . PHE A 411 ? 0.4495 0.3895 0.3657 -0.0291 -0.1213 -0.0357 409 PHE A CE1 3188 C CE2 . PHE A 411 ? 0.6050 0.5365 0.5489 -0.0524 -0.1063 -0.0427 409 PHE A CE2 3189 C CZ . PHE A 411 ? 0.4611 0.4064 0.4023 -0.0413 -0.1150 -0.0402 409 PHE A CZ 3190 N N . SER A 412 ? 0.5829 0.5022 0.4310 -0.0144 -0.1176 -0.0360 410 SER A N 3191 C CA . SER A 412 ? 0.5713 0.5005 0.4100 -0.0027 -0.1242 -0.0317 410 SER A CA 3192 C C . SER A 412 ? 0.5097 0.4585 0.3437 0.0001 -0.1334 -0.0415 410 SER A C 3193 O O . SER A 412 ? 0.6076 0.5700 0.4386 0.0093 -0.1416 -0.0396 410 SER A O 3194 C CB . SER A 412 ? 0.4889 0.3986 0.3075 0.0043 -0.1164 -0.0177 410 SER A CB 3195 O OG . SER A 412 ? 0.5659 0.4655 0.3692 0.0024 -0.1107 -0.0176 410 SER A OG 3196 N N . GLU A 413 ? 0.4734 0.4234 0.3062 -0.0076 -0.1325 -0.0524 411 GLU A N 3197 C CA . GLU A 413 ? 0.5710 0.5405 0.3982 -0.0067 -0.1415 -0.0633 411 GLU A CA 3198 C C . GLU A 413 ? 0.5340 0.5301 0.3839 -0.0105 -0.1525 -0.0740 411 GLU A C 3199 O O . GLU A 413 ? 0.6363 0.6511 0.4822 -0.0081 -0.1627 -0.0808 411 GLU A O 3200 C CB . GLU A 413 ? 0.6842 0.6476 0.5045 -0.0148 -0.1372 -0.0744 411 GLU A CB 3201 C CG . GLU A 413 ? 0.8645 0.8083 0.6588 -0.0088 -0.1289 -0.0648 411 GLU A CG 3202 C CD . GLU A 413 ? 1.0938 1.0260 0.8858 -0.0167 -0.1217 -0.0744 411 GLU A CD 3203 O OE1 . GLU A 413 ? 1.2096 1.1490 1.0177 -0.0269 -0.1236 -0.0900 411 GLU A OE1 3204 O OE2 . GLU A 413 ? 1.1365 1.0515 0.9116 -0.0134 -0.1133 -0.0667 411 GLU A OE2 3205 N N . TRP A 414 ? 0.4883 0.4863 0.3622 -0.0167 -0.1506 -0.0752 412 TRP A N 3206 C CA . TRP A 414 ? 0.4854 0.5098 0.3855 -0.0213 -0.1596 -0.0852 412 TRP A CA 3207 C C . TRP A 414 ? 0.5117 0.5494 0.4172 -0.0082 -0.1669 -0.0765 412 TRP A C 3208 O O . TRP A 414 ? 0.5008 0.5630 0.4315 -0.0103 -0.1742 -0.0840 412 TRP A O 3209 C CB . TRP A 414 ? 0.5078 0.5296 0.4349 -0.0379 -0.1528 -0.0943 412 TRP A CB 3210 C CG . TRP A 414 ? 0.4646 0.4792 0.3902 -0.0508 -0.1485 -0.1071 412 TRP A CG 3211 C CD1 . TRP A 414 ? 0.4393 0.4288 0.3513 -0.0535 -0.1378 -0.1057 412 TRP A CD1 3212 C CD2 . TRP A 414 ? 0.3931 0.4235 0.3307 -0.0617 -0.1551 -0.1231 412 TRP A CD2 3213 N NE1 . TRP A 414 ? 0.5039 0.4924 0.4180 -0.0653 -0.1364 -0.1206 412 TRP A NE1 3214 C CE2 . TRP A 414 ? 0.4840 0.4950 0.4123 -0.0715 -0.1472 -0.1310 412 TRP A CE2 3215 C CE3 . TRP A 414 ? 0.4522 0.5108 0.4088 -0.0633 -0.1671 -0.1319 412 TRP A CE3 3216 C CZ2 . TRP A 414 ? 0.5256 0.5398 0.4598 -0.0835 -0.1515 -0.1470 412 TRP A CZ2 3217 C CZ3 . TRP A 414 ? 0.5333 0.5990 0.4987 -0.0752 -0.1718 -0.1485 412 TRP A CZ3 3218 C CH2 . TRP A 414 ? 0.4422 0.4836 0.3952 -0.0852 -0.1641 -0.1557 412 TRP A CH2 3219 N N . GLY A 415 ? 0.5561 0.5772 0.4393 0.0052 -0.1639 -0.0611 413 GLY A N 3220 C CA . GLY A 415 ? 0.4655 0.4955 0.3470 0.0204 -0.1707 -0.0527 413 GLY A CA 3221 C C . GLY A 415 ? 0.5216 0.5405 0.4090 0.0262 -0.1659 -0.0425 413 GLY A C 3222 O O . GLY A 415 ? 0.6560 0.6813 0.5426 0.0398 -0.1711 -0.0364 413 GLY A O 3223 N N . ASN A 416 ? 0.4587 0.4604 0.3512 0.0168 -0.1564 -0.0407 414 ASN A N 3224 C CA . ASN A 416 ? 0.5460 0.5355 0.4413 0.0213 -0.1518 -0.0316 414 ASN A CA 3225 C C . ASN A 416 ? 0.5786 0.5363 0.4483 0.0252 -0.1415 -0.0180 414 ASN A C 3226 O O . ASN A 416 ? 0.5872 0.5309 0.4423 0.0202 -0.1351 -0.0163 414 ASN A O 3227 C CB . ASN A 416 ? 0.6356 0.6263 0.5527 0.0081 -0.1480 -0.0369 414 ASN A CB 3228 C CG . ASN A 416 ? 0.6673 0.6913 0.6177 0.0030 -0.1560 -0.0504 414 ASN A CG 3229 O OD1 . ASN A 416 ? 0.6931 0.7252 0.6590 -0.0112 -0.1547 -0.0614 414 ASN A OD1 3230 N ND2 . ASN A 416 ? 0.5542 0.5978 0.5182 0.0143 -0.1626 -0.0502 414 ASN A ND2 3231 N N . ASN A 417 ? 0.5206 0.4681 0.3872 0.0336 -0.1391 -0.0095 415 ASN A N 3232 C CA . ASN A 417 ? 0.5196 0.4380 0.3658 0.0354 -0.1284 0.0017 415 ASN A CA 3233 C C . ASN A 417 ? 0.4832 0.3863 0.3303 0.0222 -0.1181 0.0029 415 ASN A C 3234 O O . ASN A 417 ? 0.5380 0.4448 0.3986 0.0163 -0.1177 0.0005 415 ASN A O 3235 C CB . ASN A 417 ? 0.4329 0.3430 0.2762 0.0473 -0.1282 0.0087 415 ASN A CB 3236 C CG . ASN A 417 ? 0.5057 0.4229 0.3408 0.0627 -0.1355 0.0118 415 ASN A CG 3237 O OD1 . ASN A 417 ? 0.5173 0.4439 0.3450 0.0642 -0.1401 0.0102 415 ASN A OD1 3238 N ND2 . ASN A 417 ? 0.5376 0.4498 0.3730 0.0749 -0.1365 0.0165 415 ASN A ND2 3239 N N . ALA A 418 ? 0.4373 0.3250 0.2703 0.0181 -0.1099 0.0068 416 ALA A N 3240 C CA . ALA A 418 ? 0.4244 0.2992 0.2580 0.0074 -0.0999 0.0086 416 ALA A CA 3241 C C . ALA A 418 ? 0.4204 0.2766 0.2416 0.0082 -0.0904 0.0160 416 ALA A C 3242 O O . ALA A 418 ? 0.5206 0.3710 0.3285 0.0142 -0.0899 0.0194 416 ALA A O 3243 C CB . ALA A 418 ? 0.4092 0.2864 0.2419 0.0004 -0.0989 0.0039 416 ALA A CB 3244 N N . PHE A 419 ? 0.4082 0.2566 0.2338 0.0018 -0.0832 0.0177 417 PHE A N 3245 C CA . PHE A 419 ? 0.4418 0.2756 0.2587 0.0002 -0.0749 0.0218 417 PHE A CA 3246 C C . PHE A 419 ? 0.5183 0.3513 0.3394 -0.0100 -0.0673 0.0208 417 PHE A C 3247 O O . PHE A 419 ? 0.5227 0.3622 0.3544 -0.0149 -0.0666 0.0191 417 PHE A O 3248 C CB . PHE A 419 ? 0.4601 0.2871 0.2774 0.0037 -0.0748 0.0233 417 PHE A CB 3249 C CG . PHE A 419 ? 0.4695 0.2970 0.2829 0.0162 -0.0823 0.0250 417 PHE A CG 3250 C CD1 . PHE A 419 ? 0.4483 0.2913 0.2728 0.0211 -0.0913 0.0218 417 PHE A CD1 3251 C CD2 . PHE A 419 ? 0.4611 0.2747 0.2604 0.0236 -0.0805 0.0301 417 PHE A CD2 3252 C CE1 . PHE A 419 ? 0.4630 0.3109 0.2866 0.0344 -0.0992 0.0227 417 PHE A CE1 3253 C CE2 . PHE A 419 ? 0.4798 0.2946 0.2757 0.0374 -0.0874 0.0327 417 PHE A CE2 3254 C CZ . PHE A 419 ? 0.5383 0.3716 0.3470 0.0435 -0.0972 0.0286 417 PHE A CZ 3255 N N . PHE A 420 ? 0.5066 0.3328 0.3190 -0.0124 -0.0616 0.0226 418 PHE A N 3256 C CA . PHE A 420 ? 0.4909 0.3195 0.3074 -0.0203 -0.0555 0.0215 418 PHE A CA 3257 C C . PHE A 420 ? 0.4808 0.3026 0.2935 -0.0249 -0.0493 0.0231 418 PHE A C 3258 O O . PHE A 420 ? 0.5240 0.3347 0.3251 -0.0229 -0.0469 0.0263 418 PHE A O 3259 C CB . PHE A 420 ? 0.4737 0.3030 0.2837 -0.0204 -0.0544 0.0213 418 PHE A CB 3260 C CG . PHE A 420 ? 0.4244 0.2586 0.2406 -0.0264 -0.0505 0.0198 418 PHE A CG 3261 C CD1 . PHE A 420 ? 0.4404 0.2743 0.2556 -0.0309 -0.0438 0.0213 418 PHE A CD1 3262 C CD2 . PHE A 420 ? 0.4657 0.3040 0.2873 -0.0271 -0.0539 0.0173 418 PHE A CD2 3263 C CE1 . PHE A 420 ? 0.5625 0.4026 0.3828 -0.0343 -0.0407 0.0206 418 PHE A CE1 3264 C CE2 . PHE A 420 ? 0.4601 0.3001 0.2846 -0.0309 -0.0503 0.0169 418 PHE A CE2 3265 C CZ . PHE A 420 ? 0.5460 0.3885 0.3705 -0.0334 -0.0438 0.0187 418 PHE A CZ 3266 N N . TYR A 421 ? 0.4600 0.2880 0.2811 -0.0310 -0.0468 0.0215 419 TYR A N 3267 C CA . TYR A 421 ? 0.4269 0.2495 0.2432 -0.0372 -0.0420 0.0222 419 TYR A CA 3268 C C . TYR A 421 ? 0.5348 0.3654 0.3541 -0.0431 -0.0378 0.0224 419 TYR A C 3269 O O . TYR A 421 ? 0.4577 0.2988 0.2852 -0.0419 -0.0386 0.0217 419 TYR A O 3270 C CB . TYR A 421 ? 0.5350 0.3564 0.3535 -0.0395 -0.0438 0.0206 419 TYR A CB 3271 C CG . TYR A 421 ? 0.4424 0.2784 0.2733 -0.0412 -0.0451 0.0191 419 TYR A CG 3272 C CD1 . TYR A 421 ? 0.4707 0.3144 0.3041 -0.0474 -0.0426 0.0195 419 TYR A CD1 3273 C CD2 . TYR A 421 ? 0.3967 0.2391 0.2356 -0.0364 -0.0484 0.0186 419 TYR A CD2 3274 C CE1 . TYR A 421 ? 0.3893 0.2473 0.2330 -0.0465 -0.0431 0.0200 419 TYR A CE1 3275 C CE2 . TYR A 421 ? 0.3639 0.2190 0.2126 -0.0372 -0.0477 0.0190 419 TYR A CE2 3276 C CZ . TYR A 421 ? 0.4093 0.2722 0.2602 -0.0411 -0.0449 0.0199 419 TYR A CZ 3277 O OH . TYR A 421 ? 0.5829 0.4588 0.4414 -0.0396 -0.0440 0.0216 419 TYR A OH 3278 N N . TYR A 422 ? 0.5930 0.4173 0.4049 -0.0499 -0.0328 0.0240 420 TYR A N 3279 C CA . TYR A 422 ? 0.4891 0.3213 0.3028 -0.0568 -0.0285 0.0250 420 TYR A CA 3280 C C . TYR A 422 ? 0.5209 0.3512 0.3325 -0.0671 -0.0271 0.0243 420 TYR A C 3281 O O . TYR A 422 ? 0.5436 0.3616 0.3480 -0.0735 -0.0216 0.0249 420 TYR A O 3282 C CB . TYR A 422 ? 0.4486 0.2745 0.2532 -0.0583 -0.0216 0.0280 420 TYR A CB 3283 C CG . TYR A 422 ? 0.5383 0.3740 0.3445 -0.0642 -0.0160 0.0296 420 TYR A CG 3284 C CD1 . TYR A 422 ? 0.4670 0.3161 0.2807 -0.0604 -0.0187 0.0290 420 TYR A CD1 3285 C CD2 . TYR A 422 ? 0.5580 0.3895 0.3585 -0.0736 -0.0066 0.0321 420 TYR A CD2 3286 C CE1 . TYR A 422 ? 0.5837 0.4422 0.3967 -0.0643 -0.0131 0.0312 420 TYR A CE1 3287 C CE2 . TYR A 422 ? 0.5750 0.4183 0.3776 -0.0798 0.0000 0.0336 420 TYR A CE2 3288 C CZ . TYR A 422 ? 0.6992 0.5564 0.5066 -0.0744 -0.0037 0.0333 420 TYR A CZ 3289 O OH . TYR A 422 ? 0.6255 0.4972 0.4353 -0.0786 0.0035 0.0346 420 TYR A OH 3290 N N . PHE A 423 ? 0.4535 0.2958 0.2715 -0.0691 -0.0312 0.0234 421 PHE A N 3291 C CA . PHE A 423 ? 0.4538 0.2953 0.2674 -0.0806 -0.0315 0.0221 421 PHE A CA 3292 C C . PHE A 423 ? 0.4773 0.3366 0.3014 -0.0895 -0.0260 0.0191 421 PHE A C 3293 O O . PHE A 423 ? 0.5906 0.4697 0.4227 -0.0856 -0.0265 0.0205 421 PHE A O 3294 C CB . PHE A 423 ? 0.4234 0.2819 0.2445 -0.0747 -0.0384 0.0197 421 PHE A CB 3295 C CG . PHE A 423 ? 0.5100 0.3798 0.3373 -0.0809 -0.0395 0.0113 421 PHE A CG 3296 C CD1 . PHE A 423 ? 0.5833 0.4367 0.4048 -0.0832 -0.0396 0.0065 421 PHE A CD1 3297 C CD2 . PHE A 423 ? 0.5310 0.4290 0.3696 -0.0837 -0.0409 0.0073 421 PHE A CD2 3298 C CE1 . PHE A 423 ? 0.6016 0.4649 0.4278 -0.0897 -0.0406 -0.0038 421 PHE A CE1 3299 C CE2 . PHE A 423 ? 0.5396 0.4509 0.3829 -0.0898 -0.0433 -0.0026 421 PHE A CE2 3300 C CZ . PHE A 423 ? 0.5713 0.4647 0.4084 -0.0934 -0.0428 -0.0088 421 PHE A CZ 3301 N N . GLU A 424 ? 0.5859 0.4384 0.4117 -0.1015 -0.0200 0.0146 422 GLU A N 3302 C CA . GLU A 424 ? 0.6605 0.5286 0.4978 -0.1123 -0.0125 0.0114 422 GLU A CA 3303 C C . GLU A 424 ? 0.6460 0.5324 0.4988 -0.1244 -0.0130 -0.0004 422 GLU A C 3304 O O . GLU A 424 ? 0.6014 0.4998 0.4664 -0.1368 -0.0058 -0.0052 422 GLU A O 3305 C CB . GLU A 424 ? 0.6907 0.5323 0.5165 -0.1193 -0.0013 0.0166 422 GLU A CB 3306 C CG . GLU A 424 ? 0.8215 0.6577 0.6367 -0.1086 0.0013 0.0249 422 GLU A CG 3307 C CD . GLU A 424 ? 0.8745 0.6933 0.6824 -0.1077 0.0109 0.0278 422 GLU A CD 3308 O OE1 . GLU A 424 ? 0.8600 0.6618 0.6641 -0.1066 0.0116 0.0269 422 GLU A OE1 3309 O OE2 . GLU A 424 ? 0.8769 0.6987 0.6822 -0.1078 0.0184 0.0316 422 GLU A OE2 3310 N N . HIS A 425 ? 0.6391 0.5285 0.4919 -0.1219 -0.0207 -0.0064 423 HIS A N 3311 C CA . HIS A 425 ? 0.5865 0.4930 0.4519 -0.1339 -0.0219 -0.0200 423 HIS A CA 3312 C C . HIS A 425 ? 0.5828 0.5309 0.4609 -0.1283 -0.0309 -0.0244 423 HIS A C 3313 O O . HIS A 425 ? 0.5718 0.5256 0.4436 -0.1143 -0.0378 -0.0188 423 HIS A O 3314 C CB . HIS A 425 ? 0.4870 0.3737 0.3456 -0.1324 -0.0227 -0.0254 423 HIS A CB 3315 C CG . HIS A 425 ? 0.5730 0.4804 0.4467 -0.1401 -0.0237 -0.0400 423 HIS A CG 3316 N ND1 . HIS A 425 ? 0.6201 0.5335 0.5084 -0.1542 -0.0162 -0.0479 423 HIS A ND1 3317 C CD2 . HIS A 425 ? 0.5435 0.4682 0.4203 -0.1351 -0.0311 -0.0487 423 HIS A CD2 3318 C CE1 . HIS A 425 ? 0.6299 0.5630 0.5301 -0.1580 -0.0203 -0.0618 423 HIS A CE1 3319 N NE2 . HIS A 425 ? 0.6929 0.6332 0.5852 -0.1461 -0.0295 -0.0625 423 HIS A NE2 3320 N N . ARG A 426 ? 0.5757 0.5534 0.4719 -0.1390 -0.0303 -0.0342 424 ARG A N 3321 C CA . ARG A 426 ? 0.6611 0.6817 0.5691 -0.1328 -0.0401 -0.0392 424 ARG A CA 3322 C C . ARG A 426 ? 0.6361 0.6683 0.5477 -0.1358 -0.0458 -0.0527 424 ARG A C 3323 O O . ARG A 426 ? 0.6271 0.6599 0.5507 -0.1482 -0.0409 -0.0640 424 ARG A O 3324 C CB . ARG A 426 ? 0.6684 0.7232 0.5980 -0.1377 -0.0373 -0.0418 424 ARG A CB 3325 C CG . ARG A 426 ? 0.6410 0.7415 0.5817 -0.1265 -0.0485 -0.0441 424 ARG A CG 3326 C CD . ARG A 426 ? 0.6134 0.7530 0.5796 -0.1324 -0.0463 -0.0499 424 ARG A CD 3327 N NE . ARG A 426 ? 0.6824 0.8684 0.6620 -0.1306 -0.0585 -0.0612 424 ARG A NE 3328 C CZ . ARG A 426 ? 0.6684 0.8875 0.6519 -0.1121 -0.0674 -0.0554 424 ARG A CZ 3329 N NH1 . ARG A 426 ? 0.6932 0.9015 0.6699 -0.0950 -0.0642 -0.0391 424 ARG A NH1 3330 N NH2 . ARG A 426 ? 0.5398 0.7923 0.5335 -0.1061 -0.0759 -0.0636 424 ARG A NH2 3331 N N . SER A 427 ? 0.5032 0.5425 0.4060 -0.1207 -0.0537 -0.0499 425 SER A N 3332 C CA . SER A 427 ? 0.4845 0.5333 0.3890 -0.1179 -0.0582 -0.0608 425 SER A CA 3333 C C . SER A 427 ? 0.6070 0.6902 0.5310 -0.1260 -0.0614 -0.0745 425 SER A C 3334 O O . SER A 427 ? 0.5766 0.6929 0.5125 -0.1234 -0.0653 -0.0731 425 SER A O 3335 C CB . SER A 427 ? 0.4378 0.4961 0.3312 -0.0992 -0.0653 -0.0537 425 SER A CB 3336 O OG . SER A 427 ? 0.5501 0.6273 0.4453 -0.0960 -0.0713 -0.0646 425 SER A OG 3337 N N . SER A 428 ? 0.6347 0.7105 0.5625 -0.1348 -0.0599 -0.0879 426 SER A N 3338 C CA . SER A 428 ? 0.6415 0.7475 0.5879 -0.1438 -0.0630 -0.1023 426 SER A CA 3339 C C . SER A 428 ? 0.7058 0.8488 0.6518 -0.1299 -0.0753 -0.1040 426 SER A C 3340 O O . SER A 428 ? 0.5543 0.7312 0.5162 -0.1342 -0.0801 -0.1141 426 SER A O 3341 C CB . SER A 428 ? 0.5106 0.5944 0.4582 -0.1557 -0.0584 -0.1158 426 SER A CB 3342 O OG . SER A 428 ? 0.5977 0.6643 0.5274 -0.1454 -0.0621 -0.1161 426 SER A OG 3343 N N . LYS A 429 ? 0.7032 0.8388 0.6306 -0.1131 -0.0795 -0.0934 427 LYS A N 3344 C CA . LYS A 429 ? 0.7643 0.9276 0.6860 -0.0977 -0.0893 -0.0912 427 LYS A CA 3345 C C . LYS A 429 ? 0.7554 0.9329 0.6751 -0.0823 -0.0916 -0.0744 427 LYS A C 3346 O O . LYS A 429 ? 0.8479 1.0433 0.7607 -0.0674 -0.0980 -0.0688 427 LYS A O 3347 C CB . LYS A 429 ? 0.7435 0.8884 0.6450 -0.0895 -0.0911 -0.0918 427 LYS A CB 3348 C CG . LYS A 429 ? 0.7072 0.8474 0.6098 -0.1007 -0.0917 -0.1099 427 LYS A CG 3349 C CD . LYS A 429 ? 0.7253 0.8353 0.6087 -0.0957 -0.0890 -0.1099 427 LYS A CD 3350 C CE . LYS A 429 ? 0.7517 0.8701 0.6169 -0.0778 -0.0938 -0.1000 427 LYS A CE 3351 N NZ . LYS A 429 ? 0.6823 0.8213 0.5412 -0.0764 -0.1009 -0.1113 427 LYS A NZ 3352 N N . LEU A 430 ? 0.6236 0.7907 0.5477 -0.0859 -0.0857 -0.0661 428 LEU A N 3353 C CA . LEU A 430 ? 0.6206 0.8002 0.5448 -0.0724 -0.0871 -0.0513 428 LEU A CA 3354 C C . LEU A 430 ? 0.6273 0.8518 0.5665 -0.0653 -0.0944 -0.0543 428 LEU A C 3355 O O . LEU A 430 ? 0.7587 1.0069 0.7179 -0.0775 -0.0946 -0.0662 428 LEU A O 3356 C CB . LEU A 430 ? 0.5550 0.7216 0.4844 -0.0821 -0.0799 -0.0464 428 LEU A CB 3357 C CG . LEU A 430 ? 0.6629 0.8111 0.5805 -0.0718 -0.0768 -0.0290 428 LEU A CG 3358 C CD1 . LEU A 430 ? 0.6447 0.8032 0.5557 -0.0495 -0.0812 -0.0162 428 LEU A CD1 3359 C CD2 . LEU A 430 ? 0.6870 0.7909 0.5881 -0.0765 -0.0708 -0.0247 428 LEU A CD2 3360 N N . PRO A 431 ? 0.4534 0.6884 0.3833 -0.0455 -0.0994 -0.0432 429 PRO A N 3361 C CA . PRO A 431 ? 0.4485 0.7241 0.3887 -0.0343 -0.1067 -0.0437 429 PRO A CA 3362 C C . PRO A 431 ? 0.5293 0.8277 0.4855 -0.0274 -0.1059 -0.0363 429 PRO A C 3363 O O . PRO A 431 ? 0.5539 0.8911 0.5256 -0.0219 -0.1114 -0.0406 429 PRO A O 3364 C CB . PRO A 431 ? 0.4538 0.7199 0.3730 -0.0155 -0.1092 -0.0311 429 PRO A CB 3365 C CG . PRO A 431 ? 0.4710 0.6947 0.3715 -0.0198 -0.1034 -0.0282 429 PRO A CG 3366 C CD . PRO A 431 ? 0.4062 0.6110 0.3138 -0.0330 -0.0970 -0.0298 429 PRO A CD 3367 N N . TRP A 432 ? 0.4619 0.7370 0.4138 -0.0269 -0.0993 -0.0256 430 TRP A N 3368 C CA . TRP A 432 ? 0.4500 0.7435 0.4163 -0.0212 -0.0972 -0.0189 430 TRP A CA 3369 C C . TRP A 432 ? 0.5203 0.8390 0.5120 -0.0408 -0.0950 -0.0337 430 TRP A C 3370 O O . TRP A 432 ? 0.4573 0.7636 0.4512 -0.0614 -0.0919 -0.0464 430 TRP A O 3371 C CB . TRP A 432 ? 0.4424 0.7005 0.3937 -0.0160 -0.0906 -0.0038 430 TRP A CB 3372 C CG . TRP A 432 ? 0.5353 0.7670 0.4659 0.0023 -0.0898 0.0111 430 TRP A CG 3373 C CD1 . TRP A 432 ? 0.5430 0.7402 0.4550 -0.0003 -0.0874 0.0131 430 TRP A CD1 3374 C CD2 . TRP A 432 ? 0.4289 0.6656 0.3572 0.0246 -0.0899 0.0253 430 TRP A CD2 3375 N NE1 . TRP A 432 ? 0.5188 0.7009 0.4184 0.0166 -0.0855 0.0270 430 TRP A NE1 3376 C CE2 . TRP A 432 ? 0.4243 0.6274 0.3326 0.0317 -0.0866 0.0350 430 TRP A CE2 3377 C CE3 . TRP A 432 ? 0.4867 0.7521 0.4289 0.0394 -0.0914 0.0305 430 TRP A CE3 3378 C CZ2 . TRP A 432 ? 0.4576 0.6525 0.3587 0.0506 -0.0841 0.0497 430 TRP A CZ2 3379 C CZ3 . TRP A 432 ? 0.5245 0.7797 0.4579 0.0609 -0.0893 0.0458 430 TRP A CZ3 3380 C CH2 . TRP A 432 ? 0.5180 0.7372 0.4309 0.0651 -0.0853 0.0552 430 TRP A CH2 3381 N N . PRO A 433 ? 0.5619 0.9146 0.5742 -0.0342 -0.0949 -0.0319 431 PRO A N 3382 C CA . PRO A 433 ? 0.5639 0.9427 0.6043 -0.0537 -0.0903 -0.0462 431 PRO A CA 3383 C C . PRO A 433 ? 0.5698 0.9116 0.6068 -0.0747 -0.0779 -0.0476 431 PRO A C 3384 O O . PRO A 433 ? 0.5950 0.8892 0.6080 -0.0704 -0.0726 -0.0360 431 PRO A O 3385 C CB . PRO A 433 ? 0.5440 0.9614 0.6050 -0.0371 -0.0907 -0.0399 431 PRO A CB 3386 C CG . PRO A 433 ? 0.5876 0.9846 0.6267 -0.0112 -0.0928 -0.0197 431 PRO A CG 3387 C CD . PRO A 433 ? 0.5543 0.9216 0.5667 -0.0079 -0.0973 -0.0170 431 PRO A CD 3388 N N . GLU A 434 ? 0.6422 0.9981 0.7020 -0.0958 -0.0704 -0.0604 432 GLU A N 3389 C CA . GLU A 434 ? 0.6544 0.9667 0.7086 -0.1143 -0.0549 -0.0600 432 GLU A CA 3390 C C . GLU A 434 ? 0.5735 0.8585 0.6187 -0.1025 -0.0437 -0.0440 432 GLU A C 3391 O O . GLU A 434 ? 0.6128 0.8496 0.6372 -0.1065 -0.0355 -0.0368 432 GLU A O 3392 C CB . GLU A 434 ? 0.8097 1.1461 0.8924 -0.1392 -0.0473 -0.0762 432 GLU A CB 3393 C CG . GLU A 434 ? 1.0228 1.3602 1.1083 -0.1515 -0.0520 -0.0918 432 GLU A CG 3394 C CD . GLU A 434 ? 1.2156 1.5013 1.2867 -0.1705 -0.0414 -0.0947 432 GLU A CD 3395 O OE1 . GLU A 434 ? 1.2520 1.4977 1.2998 -0.1696 -0.0376 -0.0838 432 GLU A OE1 3396 O OE2 . GLU A 434 ? 1.3013 1.5852 1.3839 -0.1852 -0.0370 -0.1075 432 GLU A OE2 3397 N N . TRP A 435 ? 0.5450 0.8615 0.6053 -0.0866 -0.0439 -0.0392 433 TRP A N 3398 C CA . TRP A 435 ? 0.5511 0.8453 0.6055 -0.0764 -0.0321 -0.0272 433 TRP A CA 3399 C C . TRP A 435 ? 0.5455 0.7918 0.5688 -0.0627 -0.0327 -0.0132 433 TRP A C 3400 O O . TRP A 435 ? 0.5685 0.7869 0.5819 -0.0584 -0.0226 -0.0055 433 TRP A O 3401 C CB . TRP A 435 ? 0.5693 0.9075 0.6473 -0.0597 -0.0320 -0.0256 433 TRP A CB 3402 C CG . TRP A 435 ? 0.5317 0.8867 0.6051 -0.0330 -0.0448 -0.0170 433 TRP A CG 3403 C CD1 . TRP A 435 ? 0.4435 0.8470 0.5317 -0.0242 -0.0588 -0.0222 433 TRP A CD1 3404 C CD2 . TRP A 435 ? 0.5725 0.8955 0.6249 -0.0113 -0.0438 -0.0014 433 TRP A CD2 3405 N NE1 . TRP A 435 ? 0.4535 0.8552 0.5288 0.0029 -0.0660 -0.0087 433 TRP A NE1 3406 C CE2 . TRP A 435 ? 0.5419 0.8930 0.5962 0.0102 -0.0562 0.0040 433 TRP A CE2 3407 C CE3 . TRP A 435 ? 0.6466 0.9202 0.6786 -0.0083 -0.0336 0.0078 433 TRP A CE3 3408 C CZ2 . TRP A 435 ? 0.5734 0.9006 0.6104 0.0338 -0.0568 0.0196 433 TRP A CZ2 3409 C CZ3 . TRP A 435 ? 0.5643 0.8168 0.5813 0.0135 -0.0353 0.0207 433 TRP A CZ3 3410 C CH2 . TRP A 435 ? 0.4868 0.7641 0.5066 0.0338 -0.0458 0.0270 433 TRP A CH2 3411 N N . MET A 436 ? 0.4827 0.7217 0.4912 -0.0563 -0.0440 -0.0109 434 MET A N 3412 C CA . MET A 436 ? 0.4556 0.6539 0.4384 -0.0443 -0.0445 0.0015 434 MET A CA 3413 C C . MET A 436 ? 0.4784 0.6339 0.4429 -0.0593 -0.0402 0.0003 434 MET A C 3414 O O . MET A 436 ? 0.4004 0.5207 0.3457 -0.0529 -0.0390 0.0089 434 MET A O 3415 C CB . MET A 436 ? 0.4552 0.6668 0.4305 -0.0277 -0.0567 0.0070 434 MET A CB 3416 C CG . MET A 436 ? 0.3603 0.6087 0.3501 -0.0073 -0.0604 0.0122 434 MET A CG 3417 S SD . MET A 436 ? 0.4685 0.7367 0.4475 0.0139 -0.0744 0.0202 434 MET A SD 3418 C CE . MET A 436 ? 0.3668 0.5778 0.3181 0.0234 -0.0681 0.0363 434 MET A CE 3419 N N . GLY A 437 ? 0.4742 0.6332 0.4463 -0.0794 -0.0374 -0.0107 435 GLY A N 3420 C CA . GLY A 437 ? 0.3381 0.4558 0.2945 -0.0930 -0.0309 -0.0112 435 GLY A CA 3421 C C . GLY A 437 ? 0.5079 0.5966 0.4428 -0.0885 -0.0373 -0.0073 435 GLY A C 3422 O O . GLY A 437 ? 0.4733 0.5773 0.4070 -0.0834 -0.0470 -0.0101 435 GLY A O 3423 N N . VAL A 438 ? 0.4697 0.5185 0.3873 -0.0896 -0.0317 -0.0010 436 VAL A N 3424 C CA . VAL A 438 ? 0.4970 0.5187 0.3968 -0.0862 -0.0363 0.0019 436 VAL A CA 3425 C C . VAL A 438 ? 0.5107 0.5288 0.4030 -0.0687 -0.0404 0.0120 436 VAL A C 3426 O O . VAL A 438 ? 0.4568 0.4525 0.3403 -0.0632 -0.0365 0.0191 436 VAL A O 3427 C CB . VAL A 438 ? 0.4798 0.4632 0.3658 -0.0945 -0.0294 0.0038 436 VAL A CB 3428 C CG1 . VAL A 438 ? 0.4153 0.3749 0.2863 -0.0906 -0.0343 0.0055 436 VAL A CG1 3429 C CG2 . VAL A 438 ? 0.4232 0.4067 0.3168 -0.1122 -0.0227 -0.0047 436 VAL A CG2 3430 N N . MET A 439 ? 0.5207 0.5609 0.4158 -0.0603 -0.0480 0.0122 437 MET A N 3431 C CA . MET A 439 ? 0.4861 0.5276 0.3775 -0.0434 -0.0500 0.0227 437 MET A CA 3432 C C . MET A 439 ? 0.5542 0.5666 0.4305 -0.0386 -0.0500 0.0293 437 MET A C 3433 O O . MET A 439 ? 0.5446 0.5429 0.4129 -0.0455 -0.0514 0.0254 437 MET A O 3434 C CB . MET A 439 ? 0.4436 0.5198 0.3411 -0.0342 -0.0576 0.0225 437 MET A CB 3435 C CG . MET A 439 ? 0.6212 0.7328 0.5373 -0.0326 -0.0583 0.0186 437 MET A CG 3436 S SD . MET A 439 ? 0.5806 0.7362 0.5010 -0.0201 -0.0702 0.0179 437 MET A SD 3437 C CE . MET A 439 ? 0.5565 0.6905 0.4595 0.0010 -0.0694 0.0362 437 MET A CE 3438 N N . HIS A 440 ? 0.3963 0.4005 0.2707 -0.0267 -0.0477 0.0386 438 HIS A N 3439 C CA . HIS A 440 ? 0.4406 0.4249 0.3062 -0.0202 -0.0469 0.0455 438 HIS A CA 3440 C C . HIS A 440 ? 0.5010 0.4955 0.3666 -0.0167 -0.0492 0.0431 438 HIS A C 3441 O O . HIS A 440 ? 0.5139 0.5324 0.3802 -0.0114 -0.0539 0.0430 438 HIS A O 3442 C CB . HIS A 440 ? 0.4626 0.4445 0.3296 -0.0070 -0.0437 0.0554 438 HIS A CB 3443 C CG . HIS A 440 ? 0.5335 0.4939 0.4003 -0.0018 -0.0379 0.0595 438 HIS A CG 3444 N ND1 . HIS A 440 ? 0.5225 0.4623 0.3911 -0.0085 -0.0345 0.0549 438 HIS A ND1 3445 C CD2 . HIS A 440 ? 0.4002 0.3604 0.2679 0.0085 -0.0345 0.0676 438 HIS A CD2 3446 C CE1 . HIS A 440 ? 0.4188 0.3485 0.2908 -0.0045 -0.0303 0.0587 438 HIS A CE1 3447 N NE2 . HIS A 440 ? 0.4619 0.4022 0.3336 0.0051 -0.0291 0.0672 438 HIS A NE2 3448 N N . GLY A 441 ? 0.4904 0.4689 0.3553 -0.0190 -0.0461 0.0408 439 GLY A N 3449 C CA . GLY A 441 ? 0.4370 0.4231 0.2991 -0.0159 -0.0471 0.0387 439 GLY A CA 3450 C C . GLY A 441 ? 0.5110 0.5068 0.3707 -0.0247 -0.0520 0.0281 439 GLY A C 3451 O O . GLY A 441 ? 0.5537 0.5534 0.4092 -0.0224 -0.0526 0.0249 439 GLY A O 3452 N N . TYR A 442 ? 0.4584 0.4576 0.3202 -0.0355 -0.0546 0.0220 440 TYR A N 3453 C CA . TYR A 442 ? 0.4548 0.4635 0.3163 -0.0456 -0.0582 0.0100 440 TYR A CA 3454 C C . TYR A 442 ? 0.5000 0.4832 0.3572 -0.0567 -0.0554 0.0043 440 TYR A C 3455 O O . TYR A 442 ? 0.4805 0.4650 0.3382 -0.0676 -0.0563 -0.0063 440 TYR A O 3456 C CB . TYR A 442 ? 0.3728 0.4094 0.2422 -0.0513 -0.0629 0.0042 440 TYR A CB 3457 C CG . TYR A 442 ? 0.4388 0.5029 0.3109 -0.0375 -0.0677 0.0075 440 TYR A CG 3458 C CD1 . TYR A 442 ? 0.4640 0.5437 0.3349 -0.0350 -0.0724 -0.0005 440 TYR A CD1 3459 C CD2 . TYR A 442 ? 0.4541 0.5242 0.3277 -0.0255 -0.0672 0.0193 440 TYR A CD2 3460 C CE1 . TYR A 442 ? 0.5316 0.6316 0.4015 -0.0217 -0.0769 0.0040 440 TYR A CE1 3461 C CE2 . TYR A 442 ? 0.4318 0.5216 0.3059 -0.0114 -0.0709 0.0240 440 TYR A CE2 3462 C CZ . TYR A 442 ? 0.5323 0.6365 0.4040 -0.0099 -0.0759 0.0169 440 TYR A CZ 3463 O OH . TYR A 442 ? 0.4688 0.5901 0.3390 0.0033 -0.0794 0.0228 440 TYR A OH 3464 N N . GLU A 443 ? 0.4008 0.3609 0.2549 -0.0530 -0.0515 0.0109 441 GLU A N 3465 C CA . GLU A 443 ? 0.4643 0.4008 0.3125 -0.0581 -0.0497 0.0075 441 GLU A CA 3466 C C . GLU A 443 ? 0.5246 0.4627 0.3708 -0.0513 -0.0497 0.0064 441 GLU A C 3467 O O . GLU A 443 ? 0.6146 0.5387 0.4548 -0.0544 -0.0494 0.0011 441 GLU A O 3468 C CB . GLU A 443 ? 0.4238 0.3388 0.2706 -0.0569 -0.0468 0.0141 441 GLU A CB 3469 C CG . GLU A 443 ? 0.4929 0.4033 0.3444 -0.0475 -0.0453 0.0188 441 GLU A CG 3470 C CD . GLU A 443 ? 0.5885 0.5136 0.4478 -0.0393 -0.0438 0.0245 441 GLU A CD 3471 O OE1 . GLU A 443 ? 0.6057 0.5447 0.4663 -0.0384 -0.0447 0.0262 441 GLU A OE1 3472 O OE2 . GLU A 443 ? 0.6010 0.5229 0.4639 -0.0341 -0.0418 0.0276 441 GLU A OE2 3473 N N . ILE A 444 ? 0.5488 0.5027 0.3980 -0.0416 -0.0494 0.0117 442 ILE A N 3474 C CA . ILE A 444 ? 0.4853 0.4409 0.3307 -0.0350 -0.0479 0.0128 442 ILE A CA 3475 C C . ILE A 444 ? 0.5583 0.5198 0.3962 -0.0377 -0.0500 0.0024 442 ILE A C 3476 O O . ILE A 444 ? 0.5960 0.5471 0.4278 -0.0372 -0.0485 -0.0004 442 ILE A O 3477 C CB . ILE A 444 ? 0.3890 0.3604 0.2356 -0.0245 -0.0462 0.0213 442 ILE A CB 3478 C CG1 . ILE A 444 ? 0.4050 0.3666 0.2592 -0.0217 -0.0425 0.0302 442 ILE A CG1 3479 C CG2 . ILE A 444 ? 0.2865 0.2624 0.1253 -0.0187 -0.0439 0.0223 442 ILE A CG2 3480 C CD1 . ILE A 444 ? 0.3856 0.3569 0.2398 -0.0112 -0.0393 0.0400 442 ILE A CD1 3481 N N . GLU A 445 ? 0.5237 0.5030 0.3623 -0.0402 -0.0539 -0.0048 443 GLU A N 3482 C CA . GLU A 445 ? 0.5579 0.5441 0.3913 -0.0434 -0.0563 -0.0179 443 GLU A CA 3483 C C . GLU A 445 ? 0.5670 0.5287 0.3982 -0.0533 -0.0541 -0.0264 443 GLU A C 3484 O O . GLU A 445 ? 0.6501 0.6083 0.4750 -0.0536 -0.0537 -0.0360 443 GLU A O 3485 C CB . GLU A 445 ? 0.5545 0.5648 0.3922 -0.0452 -0.0621 -0.0256 443 GLU A CB 3486 C CG . GLU A 445 ? 0.5593 0.5706 0.4074 -0.0558 -0.0629 -0.0276 443 GLU A CG 3487 C CD . GLU A 445 ? 0.6812 0.7228 0.5360 -0.0547 -0.0693 -0.0320 443 GLU A CD 3488 O OE1 . GLU A 445 ? 0.5960 0.6487 0.4549 -0.0622 -0.0727 -0.0460 443 GLU A OE1 3489 O OE2 . GLU A 445 ? 0.6566 0.7101 0.5131 -0.0460 -0.0708 -0.0216 443 GLU A OE2 3490 N N . PHE A 446 ? 0.4410 0.3835 0.2752 -0.0597 -0.0523 -0.0224 444 PHE A N 3491 C CA . PHE A 446 ? 0.5592 0.4732 0.3889 -0.0667 -0.0494 -0.0275 444 PHE A CA 3492 C C . PHE A 446 ? 0.5824 0.4769 0.4043 -0.0595 -0.0479 -0.0224 444 PHE A C 3493 O O . PHE A 446 ? 0.5831 0.4611 0.3986 -0.0598 -0.0463 -0.0297 444 PHE A O 3494 C CB . PHE A 446 ? 0.5091 0.4095 0.3415 -0.0755 -0.0475 -0.0244 444 PHE A CB 3495 C CG . PHE A 446 ? 0.5933 0.5088 0.4344 -0.0862 -0.0475 -0.0337 444 PHE A CG 3496 C CD1 . PHE A 446 ? 0.6004 0.5455 0.4494 -0.0854 -0.0514 -0.0325 444 PHE A CD1 3497 C CD2 . PHE A 446 ? 0.6105 0.5116 0.4538 -0.0963 -0.0433 -0.0440 444 PHE A CD2 3498 C CE1 . PHE A 446 ? 0.5760 0.5395 0.4356 -0.0952 -0.0524 -0.0424 444 PHE A CE1 3499 C CE2 . PHE A 446 ? 0.5871 0.5043 0.4422 -0.1072 -0.0429 -0.0538 444 PHE A CE2 3500 C CZ . PHE A 446 ? 0.6670 0.6171 0.5308 -0.1071 -0.0479 -0.0536 444 PHE A CZ 3501 N N . VAL A 447 ? 0.5325 0.4294 0.3566 -0.0527 -0.0482 -0.0109 445 VAL A N 3502 C CA . VAL A 447 ? 0.4360 0.3218 0.2560 -0.0457 -0.0476 -0.0066 445 VAL A CA 3503 C C . VAL A 447 ? 0.5059 0.3993 0.3192 -0.0409 -0.0465 -0.0124 445 VAL A C 3504 O O . VAL A 447 ? 0.6060 0.4847 0.4123 -0.0374 -0.0459 -0.0151 445 VAL A O 3505 C CB . VAL A 447 ? 0.5555 0.4489 0.3847 -0.0406 -0.0469 0.0049 445 VAL A CB 3506 C CG1 . VAL A 447 ? 0.4446 0.3337 0.2724 -0.0344 -0.0462 0.0084 445 VAL A CG1 3507 C CG2 . VAL A 447 ? 0.3265 0.2087 0.1595 -0.0440 -0.0474 0.0090 445 VAL A CG2 3508 N N . PHE A 448 ? 0.4929 0.4099 0.3068 -0.0395 -0.0464 -0.0146 446 PHE A N 3509 C CA . PHE A 448 ? 0.4553 0.3823 0.2599 -0.0342 -0.0445 -0.0194 446 PHE A CA 3510 C C . PHE A 448 ? 0.5724 0.4970 0.3710 -0.0382 -0.0449 -0.0357 446 PHE A C 3511 O O . PHE A 448 ? 0.5983 0.5295 0.3874 -0.0340 -0.0428 -0.0428 446 PHE A O 3512 C CB . PHE A 448 ? 0.4362 0.3897 0.2414 -0.0277 -0.0437 -0.0120 446 PHE A CB 3513 C CG . PHE A 448 ? 0.4588 0.4115 0.2660 -0.0221 -0.0396 0.0020 446 PHE A CG 3514 C CD1 . PHE A 448 ? 0.4038 0.3522 0.2229 -0.0227 -0.0396 0.0115 446 PHE A CD1 3515 C CD2 . PHE A 448 ? 0.5072 0.4632 0.3041 -0.0169 -0.0344 0.0046 446 PHE A CD2 3516 C CE1 . PHE A 448 ? 0.4023 0.3487 0.2251 -0.0190 -0.0352 0.0227 446 PHE A CE1 3517 C CE2 . PHE A 448 ? 0.5229 0.4767 0.3223 -0.0138 -0.0292 0.0175 446 PHE A CE2 3518 C CZ . PHE A 448 ? 0.4997 0.4482 0.3132 -0.0154 -0.0299 0.0261 446 PHE A CZ 3519 N N . GLY A 449 ? 0.5016 0.4165 0.3059 -0.0468 -0.0464 -0.0420 447 GLY A N 3520 C CA . GLY A 449 ? 0.5618 0.4658 0.3633 -0.0518 -0.0450 -0.0577 447 GLY A CA 3521 C C . GLY A 449 ? 0.5736 0.5019 0.3774 -0.0546 -0.0480 -0.0698 447 GLY A C 3522 O O . GLY A 449 ? 0.5290 0.4510 0.3309 -0.0579 -0.0469 -0.0849 447 GLY A O 3523 N N . LEU A 450 ? 0.5889 0.5436 0.3968 -0.0519 -0.0523 -0.0637 448 LEU A N 3524 C CA . LEU A 450 ? 0.5476 0.5256 0.3560 -0.0520 -0.0579 -0.0744 448 LEU A CA 3525 C C . LEU A 450 ? 0.6053 0.5754 0.4225 -0.0648 -0.0590 -0.0894 448 LEU A C 3526 O O . LEU A 450 ? 0.6317 0.6090 0.4453 -0.0660 -0.0625 -0.1031 448 LEU A O 3527 C CB . LEU A 450 ? 0.4735 0.4751 0.2849 -0.0461 -0.0628 -0.0637 448 LEU A CB 3528 C CG . LEU A 450 ? 0.5709 0.5840 0.3700 -0.0318 -0.0628 -0.0523 448 LEU A CG 3529 C CD1 . LEU A 450 ? 0.5199 0.5212 0.3181 -0.0275 -0.0554 -0.0395 448 LEU A CD1 3530 C CD2 . LEU A 450 ? 0.4281 0.4581 0.2290 -0.0269 -0.0679 -0.0432 448 LEU A CD2 3531 N N . PRO A 451 ? 0.5578 0.5105 0.3849 -0.0747 -0.0554 -0.0863 449 PRO A N 3532 C CA . PRO A 451 ? 0.5795 0.5235 0.4152 -0.0873 -0.0543 -0.1003 449 PRO A CA 3533 C C . PRO A 451 ? 0.6433 0.5622 0.4738 -0.0887 -0.0497 -0.1124 449 PRO A C 3534 O O . PRO A 451 ? 0.8030 0.7127 0.6408 -0.0989 -0.0481 -0.1244 449 PRO A O 3535 C CB . PRO A 451 ? 0.6022 0.5307 0.4466 -0.0961 -0.0495 -0.0913 449 PRO A CB 3536 C CG . PRO A 451 ? 0.5246 0.4661 0.3670 -0.0884 -0.0520 -0.0752 449 PRO A CG 3537 C CD . PRO A 451 ? 0.5316 0.4747 0.3622 -0.0756 -0.0529 -0.0707 449 PRO A CD 3538 N N . LEU A 452 ? 0.5680 0.4760 0.3867 -0.0790 -0.0470 -0.1098 450 LEU A N 3539 C CA . LEU A 452 ? 0.6319 0.5169 0.4453 -0.0783 -0.0423 -0.1224 450 LEU A CA 3540 C C . LEU A 452 ? 0.6780 0.5795 0.4864 -0.0772 -0.0472 -0.1392 450 LEU A C 3541 O O . LEU A 452 ? 0.7813 0.6643 0.5874 -0.0792 -0.0442 -0.1531 450 LEU A O 3542 C CB . LEU A 452 ? 0.6243 0.4927 0.4265 -0.0676 -0.0376 -0.1152 450 LEU A CB 3543 C CG . LEU A 452 ? 0.6871 0.5339 0.4900 -0.0667 -0.0349 -0.0983 450 LEU A CG 3544 C CD1 . LEU A 452 ? 0.6896 0.5229 0.4813 -0.0546 -0.0326 -0.0918 450 LEU A CD1 3545 C CD2 . LEU A 452 ? 0.7128 0.5303 0.5225 -0.0748 -0.0299 -0.0997 450 LEU A CD2 3546 N N . GLU A 453 ? 0.6319 0.5647 0.4361 -0.0730 -0.0549 -0.1368 451 GLU A N 3547 C CA . GLU A 453 ? 0.6698 0.6171 0.4629 -0.0711 -0.0607 -0.1493 451 GLU A CA 3548 C C . GLU A 453 ? 0.7837 0.7369 0.5884 -0.0852 -0.0650 -0.1613 451 GLU A C 3549 O O . GLU A 453 ? 0.7770 0.7520 0.5914 -0.0897 -0.0699 -0.1562 451 GLU A O 3550 C CB . GLU A 453 ? 0.6202 0.5942 0.4003 -0.0601 -0.0657 -0.1382 451 GLU A CB 3551 C CG . GLU A 453 ? 0.7753 0.7657 0.5404 -0.0591 -0.0709 -0.1479 451 GLU A CG 3552 C CD . GLU A 453 ? 0.9032 0.8758 0.6570 -0.0601 -0.0673 -0.1652 451 GLU A CD 3553 O OE1 . GLU A 453 ? 1.0111 0.9739 0.7502 -0.0504 -0.0613 -0.1630 451 GLU A OE1 3554 O OE2 . GLU A 453 ? 0.9013 0.8701 0.6611 -0.0707 -0.0696 -0.1814 451 GLU A OE2 3555 N N . ARG A 454 ? 0.8224 0.7564 0.6273 -0.0925 -0.0623 -0.1776 452 ARG A N 3556 C CA . ARG A 454 ? 0.8731 0.8091 0.6922 -0.1084 -0.0640 -0.1896 452 ARG A CA 3557 C C . ARG A 454 ? 0.8554 0.8275 0.6734 -0.1115 -0.0736 -0.1965 452 ARG A C 3558 O O . ARG A 454 ? 0.8088 0.7947 0.6432 -0.1239 -0.0761 -0.2016 452 ARG A O 3559 C CB . ARG A 454 ? 0.8925 0.7956 0.7123 -0.1155 -0.0576 -0.2049 452 ARG A CB 3560 C CG . ARG A 454 ? 0.9496 0.8192 0.7796 -0.1184 -0.0476 -0.1965 452 ARG A CG 3561 C CD . ARG A 454 ? 1.1053 0.9373 0.9316 -0.1183 -0.0399 -0.2070 452 ARG A CD 3562 N NE . ARG A 454 ? 1.1640 0.9650 0.9959 -0.1164 -0.0303 -0.1940 452 ARG A NE 3563 C CZ . ARG A 454 ? 1.1568 0.9213 0.9859 -0.1126 -0.0222 -0.1972 452 ARG A CZ 3564 N NH1 . ARG A 454 ? 1.1299 0.8837 0.9516 -0.1109 -0.0221 -0.2146 452 ARG A NH1 3565 N NH2 . ARG A 454 ? 1.1070 0.8450 0.9391 -0.1095 -0.0141 -0.1825 452 ARG A NH2 3566 N N . ARG A 455 ? 0.8432 0.8321 0.6422 -0.1000 -0.0783 -0.1958 453 ARG A N 3567 C CA . ARG A 455 ? 0.7852 0.8107 0.5817 -0.1005 -0.0875 -0.2002 453 ARG A CA 3568 C C . ARG A 455 ? 0.8365 0.8899 0.6432 -0.0971 -0.0923 -0.1844 453 ARG A C 3569 O O . ARG A 455 ? 0.8727 0.9585 0.6764 -0.0935 -0.1000 -0.1847 453 ARG A O 3570 C CB . ARG A 455 ? 0.8136 0.8473 0.5846 -0.0888 -0.0893 -0.2025 453 ARG A CB 3571 C CG . ARG A 455 ? 0.8631 0.8801 0.6236 -0.0933 -0.0871 -0.2233 453 ARG A CG 3572 C CD . ARG A 455 ? 0.8692 0.8604 0.6108 -0.0821 -0.0789 -0.2208 453 ARG A CD 3573 N NE . ARG A 455 ? 0.8669 0.8765 0.5879 -0.0683 -0.0793 -0.2097 453 ARG A NE 3574 C CZ . ARG A 455 ? 0.8756 0.8715 0.5780 -0.0581 -0.0716 -0.2078 453 ARG A CZ 3575 N NH1 . ARG A 455 ? 0.8873 0.8513 0.5890 -0.0585 -0.0641 -0.2169 453 ARG A NH1 3576 N NH2 . ARG A 455 ? 0.8743 0.8887 0.5596 -0.0471 -0.0705 -0.1965 453 ARG A NH2 3577 N N . ASP A 456 ? 0.7659 0.8075 0.5846 -0.0977 -0.0877 -0.1713 454 ASP A N 3578 C CA . ASP A 456 ? 0.7911 0.8535 0.6155 -0.0909 -0.0907 -0.1540 454 ASP A CA 3579 C C . ASP A 456 ? 0.8050 0.8812 0.6533 -0.1024 -0.0916 -0.1543 454 ASP A C 3580 O O . ASP A 456 ? 0.7614 0.8538 0.6153 -0.0968 -0.0934 -0.1408 454 ASP A O 3581 C CB . ASP A 456 ? 0.8631 0.9059 0.6800 -0.0801 -0.0847 -0.1368 454 ASP A CB 3582 C CG . ASP A 456 ? 0.9615 1.0238 0.7745 -0.0678 -0.0876 -0.1183 454 ASP A CG 3583 O OD1 . ASP A 456 ? 0.9009 0.9915 0.7200 -0.0674 -0.0940 -0.1170 454 ASP A OD1 3584 O OD2 . ASP A 456 ? 1.0286 1.0778 0.8335 -0.0583 -0.0829 -0.1049 454 ASP A OD2 3585 N N . ASN A 457 ? 0.8210 0.8900 0.6831 -0.1185 -0.0892 -0.1695 455 ASN A N 3586 C CA . ASN A 457 ? 0.8095 0.8932 0.6952 -0.1315 -0.0884 -0.1715 455 ASN A CA 3587 C C . ASN A 457 ? 0.7447 0.8112 0.6399 -0.1344 -0.0804 -0.1579 455 ASN A C 3588 O O . ASN A 457 ? 0.8345 0.9192 0.7469 -0.1417 -0.0799 -0.1561 455 ASN A O 3589 C CB . ASN A 457 ? 0.8459 0.9756 0.7388 -0.1278 -0.0981 -0.1715 455 ASN A CB 3590 C CG . ASN A 457 ? 0.9820 1.1332 0.8677 -0.1274 -0.1062 -0.1867 455 ASN A CG 3591 O OD1 . ASN A 457 ? 1.0008 1.1321 0.8744 -0.1296 -0.1046 -0.1975 455 ASN A OD1 3592 N ND2 . ASN A 457 ? 1.0337 1.2267 0.9260 -0.1235 -0.1151 -0.1878 455 ASN A ND2 3593 N N . TYR A 458 ? 0.6479 0.6819 0.5324 -0.1286 -0.0738 -0.1487 456 TYR A N 3594 C CA . TYR A 458 ? 0.6071 0.6199 0.4988 -0.1337 -0.0649 -0.1378 456 TYR A CA 3595 C C . TYR A 458 ? 0.6335 0.6203 0.5352 -0.1500 -0.0562 -0.1477 456 TYR A C 3596 O O . TYR A 458 ? 0.5808 0.5595 0.4812 -0.1549 -0.0565 -0.1621 456 TYR A O 3597 C CB . TYR A 458 ? 0.5471 0.5360 0.4240 -0.1217 -0.0611 -0.1242 456 TYR A CB 3598 C CG . TYR A 458 ? 0.5788 0.5875 0.4476 -0.1068 -0.0665 -0.1104 456 TYR A CG 3599 C CD1 . TYR A 458 ? 0.5342 0.5506 0.4087 -0.1058 -0.0655 -0.0972 456 TYR A CD1 3600 C CD2 . TYR A 458 ? 0.6036 0.6205 0.4577 -0.0935 -0.0713 -0.1098 456 TYR A CD2 3601 C CE1 . TYR A 458 ? 0.5335 0.5643 0.4009 -0.0918 -0.0695 -0.0840 456 TYR A CE1 3602 C CE2 . TYR A 458 ? 0.6122 0.6431 0.4587 -0.0798 -0.0743 -0.0954 456 TYR A CE2 3603 C CZ . TYR A 458 ? 0.6136 0.6507 0.4676 -0.0788 -0.0734 -0.0827 456 TYR A CZ 3604 O OH . TYR A 458 ? 0.6940 0.7413 0.5410 -0.0649 -0.0754 -0.0682 456 TYR A OH 3605 N N . THR A 459 ? 0.6427 0.6148 0.5531 -0.1582 -0.0475 -0.1397 457 THR A N 3606 C CA . THR A 459 ? 0.5945 0.5368 0.5120 -0.1721 -0.0372 -0.1460 457 THR A CA 3607 C C . THR A 459 ? 0.5979 0.4982 0.5007 -0.1652 -0.0307 -0.1407 457 THR A C 3608 O O . THR A 459 ? 0.6304 0.5246 0.5203 -0.1519 -0.0322 -0.1291 457 THR A O 3609 C CB . THR A 459 ? 0.5132 0.4521 0.4429 -0.1830 -0.0285 -0.1380 457 THR A CB 3610 O OG1 . THR A 459 ? 0.5081 0.4286 0.4260 -0.1740 -0.0243 -0.1198 457 THR A OG1 3611 C CG2 . THR A 459 ? 0.5169 0.5007 0.4628 -0.1881 -0.0346 -0.1421 457 THR A CG2 3612 N N . LYS A 460 ? 0.6036 0.4757 0.5094 -0.1742 -0.0232 -0.1490 458 LYS A N 3613 C CA . LYS A 460 ? 0.5985 0.4280 0.4927 -0.1680 -0.0155 -0.1438 458 LYS A CA 3614 C C . LYS A 460 ? 0.6256 0.4377 0.5121 -0.1609 -0.0098 -0.1233 458 LYS A C 3615 O O . LYS A 460 ? 0.7271 0.5219 0.6000 -0.1478 -0.0095 -0.1149 458 LYS A O 3616 C CB . LYS A 460 ? 0.5816 0.3828 0.4831 -0.1811 -0.0062 -0.1528 458 LYS A CB 3617 C CG . LYS A 460 ? 0.7148 0.4721 0.6046 -0.1732 0.0014 -0.1484 458 LYS A CG 3618 C CD . LYS A 460 ? 0.8151 0.5727 0.6944 -0.1618 -0.0052 -0.1587 458 LYS A CD 3619 C CE . LYS A 460 ? 0.9457 0.6621 0.8139 -0.1510 0.0022 -0.1528 458 LYS A CE 3620 N NZ . LYS A 460 ? 0.9676 0.6870 0.8249 -0.1375 -0.0032 -0.1607 458 LYS A NZ 3621 N N . ALA A 461 ? 0.5245 0.3430 0.4193 -0.1695 -0.0053 -0.1159 459 ALA A N 3622 C CA . ALA A 461 ? 0.6217 0.4260 0.5078 -0.1635 -0.0004 -0.0969 459 ALA A CA 3623 C C . ALA A 461 ? 0.6783 0.4995 0.5540 -0.1499 -0.0092 -0.0879 459 ALA A C 3624 O O . ALA A 461 ? 0.7187 0.5206 0.5813 -0.1400 -0.0073 -0.0737 459 ALA A O 3625 C CB . ALA A 461 ? 0.4745 0.2876 0.3720 -0.1760 0.0059 -0.0929 459 ALA A CB 3626 N N . GLU A 462 ? 0.5897 0.4469 0.4708 -0.1487 -0.0189 -0.0955 460 GLU A N 3627 C CA . GLU A 462 ? 0.6074 0.4804 0.4790 -0.1359 -0.0266 -0.0867 460 GLU A CA 3628 C C . GLU A 462 ? 0.5691 0.4275 0.4280 -0.1242 -0.0284 -0.0875 460 GLU A C 3629 O O . GLU A 462 ? 0.6396 0.4917 0.4876 -0.1136 -0.0300 -0.0759 460 GLU A O 3630 C CB . GLU A 462 ? 0.5610 0.4771 0.4411 -0.1356 -0.0359 -0.0922 460 GLU A CB 3631 C CG . GLU A 462 ? 0.5025 0.4357 0.3933 -0.1430 -0.0347 -0.0870 460 GLU A CG 3632 C CD . GLU A 462 ? 0.5575 0.5346 0.4604 -0.1436 -0.0435 -0.0946 460 GLU A CD 3633 O OE1 . GLU A 462 ? 0.5845 0.5754 0.4920 -0.1454 -0.0483 -0.1085 460 GLU A OE1 3634 O OE2 . GLU A 462 ? 0.5641 0.5616 0.4709 -0.1412 -0.0460 -0.0866 460 GLU A OE2 3635 N N . GLU A 463 ? 0.4981 0.3504 0.3587 -0.1266 -0.0278 -0.1018 461 GLU A N 3636 C CA . GLU A 463 ? 0.5883 0.4229 0.4371 -0.1161 -0.0274 -0.1037 461 GLU A CA 3637 C C . GLU A 463 ? 0.6047 0.4017 0.4450 -0.1108 -0.0200 -0.0912 461 GLU A C 3638 O O . GLU A 463 ? 0.6562 0.4455 0.4857 -0.0990 -0.0215 -0.0836 461 GLU A O 3639 C CB . GLU A 463 ? 0.5480 0.3796 0.3994 -0.1198 -0.0275 -0.1226 461 GLU A CB 3640 C CG . GLU A 463 ? 0.7460 0.5634 0.5851 -0.1080 -0.0269 -0.1264 461 GLU A CG 3641 C CD . GLU A 463 ? 0.9985 0.7925 0.8387 -0.1116 -0.0224 -0.1417 461 GLU A CD 3642 O OE1 . GLU A 463 ? 0.9884 0.7953 0.8348 -0.1204 -0.0259 -0.1568 461 GLU A OE1 3643 O OE2 . GLU A 463 ? 1.1294 0.8914 0.9636 -0.1049 -0.0157 -0.1384 461 GLU A OE2 3644 N N . ILE A 464 ? 0.6893 0.4636 0.5341 -0.1187 -0.0122 -0.0886 462 ILE A N 3645 C CA . ILE A 464 ? 0.7493 0.4891 0.5845 -0.1113 -0.0057 -0.0755 462 ILE A CA 3646 C C . ILE A 464 ? 0.6883 0.4325 0.5145 -0.1026 -0.0095 -0.0586 462 ILE A C 3647 O O . ILE A 464 ? 0.6878 0.4172 0.5033 -0.0898 -0.0108 -0.0504 462 ILE A O 3648 C CB . ILE A 464 ? 0.8174 0.5340 0.6579 -0.1208 0.0041 -0.0736 462 ILE A CB 3649 C CG1 . ILE A 464 ? 0.8943 0.5988 0.7422 -0.1282 0.0079 -0.0901 462 ILE A CG1 3650 C CG2 . ILE A 464 ? 0.7233 0.4091 0.5517 -0.1104 0.0095 -0.0575 462 ILE A CG2 3651 C CD1 . ILE A 464 ? 1.0448 0.7326 0.8845 -0.1162 0.0070 -0.0956 462 ILE A CD1 3652 N N . LEU A 465 ? 0.5900 0.3558 0.4215 -0.1092 -0.0117 -0.0546 463 LEU A N 3653 C CA . LEU A 465 ? 0.5967 0.3691 0.4211 -0.1021 -0.0160 -0.0406 463 LEU A CA 3654 C C . LEU A 465 ? 0.6476 0.4306 0.4657 -0.0908 -0.0240 -0.0392 463 LEU A C 3655 O O . LEU A 465 ? 0.6635 0.4359 0.4729 -0.0808 -0.0264 -0.0287 463 LEU A O 3656 C CB . LEU A 465 ? 0.5046 0.3018 0.3377 -0.1114 -0.0172 -0.0396 463 LEU A CB 3657 C CG . LEU A 465 ? 0.5766 0.3810 0.4033 -0.1050 -0.0216 -0.0266 463 LEU A CG 3658 C CD1 . LEU A 465 ? 0.4875 0.2652 0.3027 -0.0977 -0.0176 -0.0143 463 LEU A CD1 3659 C CD2 . LEU A 465 ? 0.5104 0.3391 0.3470 -0.1145 -0.0219 -0.0275 463 LEU A CD2 3660 N N . SER A 466 ? 0.6644 0.4702 0.4873 -0.0921 -0.0281 -0.0501 464 SER A N 3661 C CA . SER A 466 ? 0.5628 0.3825 0.3803 -0.0818 -0.0341 -0.0486 464 SER A CA 3662 C C . SER A 466 ? 0.6542 0.4503 0.4627 -0.0722 -0.0324 -0.0496 464 SER A C 3663 O O . SER A 466 ? 0.6442 0.4387 0.4465 -0.0625 -0.0357 -0.0423 464 SER A O 3664 C CB . SER A 466 ? 0.5264 0.3783 0.3495 -0.0836 -0.0382 -0.0592 464 SER A CB 3665 O OG . SER A 466 ? 0.5240 0.3885 0.3406 -0.0729 -0.0417 -0.0566 464 SER A OG 3666 N N . ARG A 467 ? 0.6020 0.3803 0.4112 -0.0748 -0.0271 -0.0595 465 ARG A N 3667 C CA A ARG A 467 ? 0.6283 0.3816 0.4298 -0.0644 -0.0243 -0.0611 465 ARG A CA 3668 C CA B ARG A 467 ? 0.6292 0.3825 0.4308 -0.0646 -0.0243 -0.0612 465 ARG A CA 3669 C C . ARG A 467 ? 0.6842 0.4166 0.4795 -0.0551 -0.0246 -0.0460 465 ARG A C 3670 O O . ARG A 467 ? 0.8149 0.5381 0.6042 -0.0425 -0.0266 -0.0435 465 ARG A O 3671 C CB A ARG A 467 ? 0.6093 0.3430 0.4145 -0.0692 -0.0173 -0.0726 465 ARG A CB 3672 C CB B ARG A 467 ? 0.6052 0.3395 0.4108 -0.0698 -0.0173 -0.0728 465 ARG A CB 3673 C CG A ARG A 467 ? 0.6341 0.3424 0.4325 -0.0567 -0.0136 -0.0755 465 ARG A CG 3674 C CG B ARG A 467 ? 0.6405 0.3602 0.4407 -0.0599 -0.0147 -0.0821 465 ARG A CG 3675 C CD A ARG A 467 ? 0.6599 0.3844 0.4547 -0.0512 -0.0158 -0.0881 465 ARG A CD 3676 C CD B ARG A 467 ? 0.6391 0.3446 0.4454 -0.0667 -0.0086 -0.0972 465 ARG A CD 3677 N NE A ARG A 467 ? 0.5255 0.2286 0.3140 -0.0366 -0.0123 -0.0902 465 ARG A NE 3678 N NE B ARG A 467 ? 0.5355 0.2654 0.3446 -0.0718 -0.0116 -0.1150 465 ARG A NE 3679 C CZ A ARG A 467 ? 0.5445 0.2422 0.3274 -0.0228 -0.0148 -0.0800 465 ARG A CZ 3680 C CZ B ARG A 467 ? 0.5968 0.3377 0.3985 -0.0627 -0.0133 -0.1231 465 ARG A CZ 3681 N NH1 A ARG A 467 ? 0.4526 0.1628 0.2345 -0.0230 -0.0212 -0.0674 465 ARG A NH1 3682 N NH1 B ARG A 467 ? 0.5727 0.3023 0.3656 -0.0488 -0.0119 -0.1155 465 ARG A NH1 3683 N NH2 A ARG A 467 ? 0.5289 0.2099 0.3087 -0.0080 -0.0112 -0.0834 465 ARG A NH2 3684 N NH2 B ARG A 467 ? 0.5892 0.3537 0.3914 -0.0665 -0.0167 -0.1388 465 ARG A NH2 3685 N N . SER A 468 ? 0.6187 0.3463 0.4157 -0.0605 -0.0228 -0.0367 466 SER A N 3686 C CA . SER A 468 ? 0.6460 0.3585 0.4367 -0.0517 -0.0234 -0.0225 466 SER A CA 3687 C C . SER A 468 ? 0.6780 0.4064 0.4667 -0.0459 -0.0317 -0.0143 466 SER A C 3688 O O . SER A 468 ? 0.5932 0.3137 0.3778 -0.0338 -0.0353 -0.0072 466 SER A O 3689 C CB . SER A 468 ? 0.5639 0.2685 0.3559 -0.0599 -0.0172 -0.0170 466 SER A CB 3690 O OG . SER A 468 ? 0.8244 0.5163 0.6089 -0.0500 -0.0171 -0.0045 466 SER A OG 3691 N N . ILE A 469 ? 0.5974 0.3497 0.3910 -0.0539 -0.0348 -0.0156 467 ILE A N 3692 C CA . ILE A 469 ? 0.5270 0.2946 0.3207 -0.0499 -0.0416 -0.0094 467 ILE A CA 3693 C C . ILE A 469 ? 0.5907 0.3719 0.3889 -0.0395 -0.0438 -0.0118 467 ILE A C 3694 O O . ILE A 469 ? 0.5306 0.3197 0.3333 -0.0308 -0.0469 -0.0050 467 ILE A O 3695 C CB . ILE A 469 ? 0.5567 0.3504 0.3572 -0.0589 -0.0426 -0.0098 467 ILE A CB 3696 C CG1 . ILE A 469 ? 0.5007 0.2892 0.3016 -0.0654 -0.0394 -0.0038 467 ILE A CG1 3697 C CG2 . ILE A 469 ? 0.4209 0.2384 0.2266 -0.0527 -0.0471 -0.0046 467 ILE A CG2 3698 C CD1 . ILE A 469 ? 0.5718 0.3817 0.3811 -0.0758 -0.0383 -0.0078 467 ILE A CD1 3699 N N . VAL A 470 ? 0.6047 0.3892 0.4018 -0.0410 -0.0415 -0.0228 468 VAL A N 3700 C CA . VAL A 470 ? 0.6469 0.4432 0.4468 -0.0313 -0.0411 -0.0261 468 VAL A CA 3701 C C . VAL A 470 ? 0.6282 0.4078 0.4292 -0.0188 -0.0405 -0.0233 468 VAL A C 3702 O O . VAL A 470 ? 0.5546 0.3487 0.3637 -0.0095 -0.0419 -0.0194 468 VAL A O 3703 C CB . VAL A 470 ? 0.6118 0.4131 0.4068 -0.0353 -0.0383 -0.0403 468 VAL A CB 3704 C CG1 . VAL A 470 ? 0.5578 0.3640 0.3534 -0.0240 -0.0354 -0.0447 468 VAL A CG1 3705 C CG2 . VAL A 470 ? 0.5650 0.3934 0.3600 -0.0428 -0.0409 -0.0416 468 VAL A CG2 3706 N N . LYS A 471 ? 0.5984 0.3478 0.3922 -0.0183 -0.0381 -0.0247 469 LYS A N 3707 C CA . LYS A 471 ? 0.5418 0.2737 0.3351 -0.0039 -0.0382 -0.0206 469 LYS A CA 3708 C C . LYS A 471 ? 0.6182 0.3594 0.4159 0.0028 -0.0446 -0.0080 469 LYS A C 3709 O O . LYS A 471 ? 0.6484 0.4011 0.4545 0.0150 -0.0478 -0.0059 469 LYS A O 3710 C CB . LYS A 471 ? 0.5289 0.2214 0.3107 -0.0047 -0.0329 -0.0227 469 LYS A CB 3711 C CG . LYS A 471 ? 0.6323 0.3034 0.4111 0.0127 -0.0328 -0.0171 469 LYS A CG 3712 C CD . LYS A 471 ? 0.8348 0.5144 0.6208 0.0253 -0.0313 -0.0256 469 LYS A CD 3713 C CE . LYS A 471 ? 0.9133 0.5733 0.6933 0.0204 -0.0231 -0.0407 469 LYS A CE 3714 N NZ . LYS A 471 ? 0.8349 0.5113 0.6219 0.0306 -0.0205 -0.0511 469 LYS A NZ 3715 N N . ARG A 472 ? 0.6266 0.3653 0.4196 -0.0056 -0.0465 -0.0012 470 ARG A N 3716 C CA . ARG A 472 ? 0.5700 0.3160 0.3645 0.0001 -0.0528 0.0087 470 ARG A CA 3717 C C . ARG A 472 ? 0.5712 0.3498 0.3806 0.0011 -0.0569 0.0088 470 ARG A C 3718 O O . ARG A 472 ? 0.6099 0.3982 0.4263 0.0100 -0.0622 0.0119 470 ARG A O 3719 C CB . ARG A 472 ? 0.5015 0.2414 0.2885 -0.0087 -0.0517 0.0145 470 ARG A CB 3720 C CG . ARG A 472 ? 0.5638 0.2850 0.3440 -0.0108 -0.0442 0.0151 470 ARG A CG 3721 C CD . ARG A 472 ? 0.6234 0.3519 0.4027 -0.0183 -0.0413 0.0195 470 ARG A CD 3722 N NE . ARG A 472 ? 0.6329 0.3427 0.4055 -0.0189 -0.0336 0.0229 470 ARG A NE 3723 C CZ . ARG A 472 ? 0.6533 0.3537 0.4198 -0.0083 -0.0335 0.0296 470 ARG A CZ 3724 N NH1 . ARG A 472 ? 0.6535 0.3644 0.4214 0.0035 -0.0416 0.0323 470 ARG A NH1 3725 N NH2 . ARG A 472 ? 0.5543 0.2353 0.3140 -0.0095 -0.0251 0.0339 470 ARG A NH2 3726 N N . TRP A 473 ? 0.4917 0.2871 0.3060 -0.0079 -0.0543 0.0054 471 TRP A N 3727 C CA . TRP A 473 ? 0.4858 0.3074 0.3132 -0.0073 -0.0554 0.0063 471 TRP A CA 3728 C C . TRP A 473 ? 0.5383 0.3690 0.3756 0.0028 -0.0543 0.0025 471 TRP A C 3729 O O . TRP A 473 ? 0.5290 0.3746 0.3791 0.0077 -0.0573 0.0046 471 TRP A O 3730 C CB . TRP A 473 ? 0.4367 0.2720 0.2641 -0.0160 -0.0517 0.0045 471 TRP A CB 3731 C CG . TRP A 473 ? 0.4242 0.2652 0.2512 -0.0233 -0.0532 0.0101 471 TRP A CG 3732 C CD1 . TRP A 473 ? 0.5818 0.4400 0.4149 -0.0258 -0.0519 0.0136 471 TRP A CD1 3733 C CD2 . TRP A 473 ? 0.4743 0.3029 0.2941 -0.0282 -0.0548 0.0131 471 TRP A CD2 3734 N NE1 . TRP A 473 ? 0.5078 0.3683 0.3453 -0.0301 -0.0514 0.0168 471 TRP A NE1 3735 C CE2 . TRP A 473 ? 0.5416 0.3866 0.3728 -0.0320 -0.0527 0.0158 471 TRP A CE2 3736 C CE3 . TRP A 473 ? 0.5360 0.3430 0.3462 -0.0285 -0.0550 0.0136 471 TRP A CE3 3737 C CZ2 . TRP A 473 ? 0.4704 0.3143 0.3048 -0.0360 -0.0511 0.0168 471 TRP A CZ2 3738 C CZ3 . TRP A 473 ? 0.4932 0.2987 0.3029 -0.0339 -0.0534 0.0159 471 TRP A CZ3 3739 C CH2 . TRP A 473 ? 0.5093 0.3349 0.3324 -0.0375 -0.0516 0.0164 471 TRP A CH2 3740 N N . ALA A 474 ? 0.5474 0.3703 0.3802 0.0057 -0.0497 -0.0045 472 ALA A N 3741 C CA . ALA A 474 ? 0.5606 0.3927 0.4028 0.0163 -0.0471 -0.0090 472 ALA A CA 3742 C C . ALA A 474 ? 0.5817 0.4089 0.4301 0.0292 -0.0524 -0.0061 472 ALA A C 3743 O O . ALA A 474 ? 0.5238 0.3720 0.3886 0.0363 -0.0535 -0.0065 472 ALA A O 3744 C CB . ALA A 474 ? 0.5111 0.3324 0.3446 0.0174 -0.0408 -0.0187 472 ALA A CB 3745 N N . ASN A 475 ? 0.5368 0.3379 0.3724 0.0322 -0.0553 -0.0027 473 ASN A N 3746 C CA . ASN A 475 ? 0.5220 0.3186 0.3594 0.0457 -0.0620 0.0024 473 ASN A CA 3747 C C . ASN A 475 ? 0.5584 0.3782 0.4065 0.0446 -0.0701 0.0070 473 ASN A C 3748 O O . ASN A 475 ? 0.6107 0.4466 0.4715 0.0558 -0.0759 0.0068 473 ASN A O 3749 C CB . ASN A 475 ? 0.5494 0.3100 0.3666 0.0487 -0.0621 0.0076 473 ASN A CB 3750 C CG . ASN A 475 ? 0.6750 0.4092 0.4845 0.0542 -0.0545 0.0018 473 ASN A CG 3751 O OD1 . ASN A 475 ? 0.5767 0.3215 0.3958 0.0592 -0.0506 -0.0065 473 ASN A OD1 3752 N ND2 . ASN A 475 ? 0.6923 0.3908 0.4842 0.0527 -0.0511 0.0056 473 ASN A ND2 3753 N N . PHE A 476 ? 0.5913 0.4139 0.4356 0.0315 -0.0705 0.0098 474 PHE A N 3754 C CA . PHE A 476 ? 0.4799 0.3226 0.3347 0.0288 -0.0768 0.0118 474 PHE A CA 3755 C C . PHE A 476 ? 0.4954 0.3676 0.3740 0.0290 -0.0752 0.0070 474 PHE A C 3756 O O . PHE A 476 ? 0.4079 0.2990 0.3012 0.0333 -0.0816 0.0056 474 PHE A O 3757 C CB . PHE A 476 ? 0.4287 0.2682 0.2760 0.0154 -0.0757 0.0148 474 PHE A CB 3758 C CG . PHE A 476 ? 0.5195 0.3762 0.3770 0.0125 -0.0813 0.0150 474 PHE A CG 3759 C CD1 . PHE A 476 ? 0.5498 0.4042 0.4011 0.0186 -0.0901 0.0168 474 PHE A CD1 3760 C CD2 . PHE A 476 ? 0.5226 0.3971 0.3952 0.0041 -0.0774 0.0130 474 PHE A CD2 3761 C CE1 . PHE A 476 ? 0.5345 0.4056 0.3955 0.0150 -0.0958 0.0141 474 PHE A CE1 3762 C CE2 . PHE A 476 ? 0.3939 0.2816 0.2775 0.0002 -0.0817 0.0114 474 PHE A CE2 3763 C CZ . PHE A 476 ? 0.3916 0.2783 0.2699 0.0051 -0.0913 0.0106 474 PHE A CZ 3764 N N . ALA A 477 ? 0.5001 0.3775 0.3822 0.0239 -0.0664 0.0042 475 ALA A N 3765 C CA . ALA A 477 ? 0.4657 0.3693 0.3685 0.0226 -0.0615 0.0010 475 ALA A CA 3766 C C . ALA A 477 ? 0.4826 0.3997 0.4007 0.0361 -0.0636 -0.0033 475 ALA A C 3767 O O . ALA A 477 ? 0.5069 0.4484 0.4465 0.0369 -0.0664 -0.0054 475 ALA A O 3768 C CB . ALA A 477 ? 0.4242 0.3286 0.3219 0.0170 -0.0510 -0.0002 475 ALA A CB 3769 N N . LYS A 478 ? 0.4843 0.3855 0.3923 0.0466 -0.0621 -0.0055 476 LYS A N 3770 C CA . LYS A 478 ? 0.5116 0.4225 0.4322 0.0627 -0.0635 -0.0094 476 LYS A CA 3771 C C . LYS A 478 ? 0.5417 0.4588 0.4684 0.0735 -0.0761 -0.0069 476 LYS A C 3772 O O . LYS A 478 ? 0.5696 0.5138 0.5188 0.0826 -0.0793 -0.0107 476 LYS A O 3773 C CB . LYS A 478 ? 0.5554 0.4401 0.4602 0.0717 -0.0583 -0.0123 476 LYS A CB 3774 C CG . LYS A 478 ? 0.5760 0.4607 0.4765 0.0651 -0.0466 -0.0183 476 LYS A CG 3775 C CD . LYS A 478 ? 0.6379 0.4911 0.5199 0.0712 -0.0423 -0.0232 476 LYS A CD 3776 C CE . LYS A 478 ? 0.5928 0.4480 0.4679 0.0642 -0.0320 -0.0314 476 LYS A CE 3777 N NZ . LYS A 478 ? 0.6911 0.5135 0.5463 0.0638 -0.0285 -0.0380 476 LYS A NZ 3778 N N . TYR A 479 ? 0.5544 0.4492 0.4612 0.0729 -0.0830 -0.0008 477 TYR A N 3779 C CA . TYR A 479 ? 0.5668 0.4632 0.4719 0.0868 -0.0952 0.0026 477 TYR A CA 3780 C C . TYR A 479 ? 0.6230 0.5261 0.5241 0.0795 -0.1048 0.0055 477 TYR A C 3781 O O . TYR A 479 ? 0.6604 0.5703 0.5598 0.0914 -0.1162 0.0073 477 TYR A O 3782 C CB . TYR A 479 ? 0.5106 0.3703 0.3912 0.0998 -0.0951 0.0086 477 TYR A CB 3783 C CG . TYR A 479 ? 0.5696 0.4145 0.4495 0.1068 -0.0850 0.0044 477 TYR A CG 3784 C CD1 . TYR A 479 ? 0.6004 0.4658 0.5002 0.1217 -0.0844 -0.0011 477 TYR A CD1 3785 C CD2 . TYR A 479 ? 0.6104 0.4219 0.4705 0.0986 -0.0760 0.0046 477 TYR A CD2 3786 C CE1 . TYR A 479 ? 0.6376 0.4884 0.5355 0.1289 -0.0744 -0.0064 477 TYR A CE1 3787 C CE2 . TYR A 479 ? 0.5873 0.3843 0.4459 0.1042 -0.0668 -0.0017 477 TYR A CE2 3788 C CZ . TYR A 479 ? 0.7172 0.5326 0.5935 0.1199 -0.0657 -0.0071 477 TYR A CZ 3789 O OH . TYR A 479 ? 0.8361 0.6363 0.7098 0.1264 -0.0558 -0.0148 477 TYR A OH 3790 N N . GLY A 480 ? 0.5575 0.4585 0.4555 0.0616 -0.1005 0.0056 478 GLY A N 3791 C CA . GLY A 480 ? 0.4982 0.4018 0.3903 0.0545 -0.1080 0.0071 478 GLY A CA 3792 C C . GLY A 480 ? 0.6198 0.4928 0.4815 0.0576 -0.1105 0.0152 478 GLY A C 3793 O O . GLY A 480 ? 0.6337 0.5081 0.4878 0.0541 -0.1150 0.0163 478 GLY A O 3794 N N . ASN A 481 ? 0.5908 0.4370 0.4375 0.0624 -0.1040 0.0195 479 ASN A N 3795 C CA . ASN A 481 ? 0.6212 0.4411 0.4465 0.0621 -0.0990 0.0257 479 ASN A CA 3796 C C . ASN A 481 ? 0.6597 0.4562 0.4754 0.0521 -0.0885 0.0260 479 ASN A C 3797 O O . ASN A 481 ? 0.7065 0.4943 0.5239 0.0569 -0.0852 0.0236 479 ASN A O 3798 C CB . ASN A 481 ? 0.7384 0.5520 0.5593 0.0803 -0.1017 0.0291 479 ASN A CB 3799 C CG . ASN A 481 ? 0.8026 0.5907 0.6045 0.0797 -0.0937 0.0358 479 ASN A CG 3800 O OD1 . ASN A 481 ? 0.8573 0.6380 0.6512 0.0664 -0.0876 0.0371 479 ASN A OD1 3801 N ND2 . ASN A 481 ? 0.9234 0.6991 0.7195 0.0948 -0.0931 0.0401 479 ASN A ND2 3802 N N . PRO A 482 ? 0.5931 0.3843 0.4028 0.0377 -0.0818 0.0266 480 PRO A N 3803 C CA . PRO A 482 ? 0.4962 0.2717 0.2996 0.0271 -0.0734 0.0251 480 PRO A CA 3804 C C . PRO A 482 ? 0.6583 0.4084 0.4487 0.0292 -0.0664 0.0274 480 PRO A C 3805 O O . PRO A 482 ? 0.6187 0.3614 0.4033 0.0183 -0.0596 0.0279 480 PRO A O 3806 C CB . PRO A 482 ? 0.4247 0.2118 0.2316 0.0131 -0.0702 0.0241 480 PRO A CB 3807 C CG . PRO A 482 ? 0.4803 0.2734 0.2861 0.0170 -0.0728 0.0267 480 PRO A CG 3808 C CD . PRO A 482 ? 0.5169 0.3168 0.3256 0.0318 -0.0817 0.0278 480 PRO A CD 3809 N N . ASN A 483 ? 0.6773 0.4158 0.4650 0.0436 -0.0676 0.0290 481 ASN A N 3810 C CA . ASN A 483 ? 0.7847 0.4966 0.5615 0.0460 -0.0593 0.0315 481 ASN A CA 3811 C C . ASN A 483 ? 0.8385 0.5330 0.6137 0.0377 -0.0515 0.0248 481 ASN A C 3812 O O . ASN A 483 ? 0.8168 0.5182 0.5976 0.0341 -0.0532 0.0182 481 ASN A O 3813 C CB . ASN A 483 ? 0.8213 0.5268 0.5964 0.0657 -0.0624 0.0361 481 ASN A CB 3814 C CG . ASN A 483 ? 0.8477 0.5612 0.6337 0.0795 -0.0681 0.0313 481 ASN A CG 3815 O OD1 . ASN A 483 ? 0.8647 0.5964 0.6609 0.0767 -0.0733 0.0265 481 ASN A OD1 3816 N ND2 . ASN A 483 ? 1.0268 0.7277 0.8118 0.0957 -0.0665 0.0330 481 ASN A ND2 3817 N N . GLU A 484 ? 0.7432 0.4153 0.5111 0.0341 -0.0423 0.0258 482 GLU A N 3818 C CA . GLU A 484 ? 0.8174 0.4741 0.5858 0.0256 -0.0344 0.0172 482 GLU A CA 3819 C C . GLU A 484 ? 0.8676 0.5031 0.6343 0.0395 -0.0305 0.0165 482 GLU A C 3820 O O . GLU A 484 ? 0.9322 0.5675 0.7036 0.0484 -0.0319 0.0094 482 GLU A O 3821 C CB . GLU A 484 ? 0.9515 0.6006 0.7172 0.0091 -0.0260 0.0171 482 GLU A CB 3822 C CG . GLU A 484 ? 1.0441 0.6827 0.8136 -0.0020 -0.0186 0.0057 482 GLU A CG 3823 C CD . GLU A 484 ? 1.1465 0.7910 0.9190 -0.0206 -0.0135 0.0033 482 GLU A CD 3824 O OE1 . GLU A 484 ? 1.1641 0.8122 0.9336 -0.0233 -0.0126 0.0119 482 GLU A OE1 3825 O OE2 . GLU A 484 ? 1.1588 0.8067 0.9375 -0.0320 -0.0105 -0.0083 482 GLU A OE2 3826 N N . THR A 485 ? 0.8386 0.4559 0.5989 0.0422 -0.0248 0.0241 483 THR A N 3827 C CA . THR A 485 ? 0.9881 0.5849 0.7462 0.0582 -0.0217 0.0268 483 THR A CA 3828 C C . THR A 485 ? 0.9348 0.5296 0.6851 0.0693 -0.0243 0.0407 483 THR A C 3829 O O . THR A 485 ? 0.8738 0.4769 0.6191 0.0613 -0.0251 0.0465 483 THR A O 3830 C CB . THR A 485 ? 1.0400 0.6083 0.7980 0.0502 -0.0094 0.0202 483 THR A CB 3831 O OG1 . THR A 485 ? 1.1516 0.7155 0.9079 0.0310 -0.0029 0.0207 483 THR A OG1 3832 C CG2 . THR A 485 ? 0.8768 0.4480 0.6424 0.0469 -0.0082 0.0046 483 THR A CG2 3833 N N . GLN A 486 ? 0.9367 0.5230 0.6860 0.0889 -0.0262 0.0452 484 GLN A N 3834 C CA . GLN A 486 ? 1.0400 0.6164 0.7791 0.0998 -0.0261 0.0585 484 GLN A CA 3835 C C . GLN A 486 ? 1.2276 0.7686 0.9611 0.0917 -0.0123 0.0593 484 GLN A C 3836 O O . GLN A 486 ? 1.3940 0.9196 1.1336 0.0904 -0.0063 0.0503 484 GLN A O 3837 C CB . GLN A 486 ? 0.9896 0.5720 0.7319 0.1246 -0.0336 0.0622 484 GLN A CB 3838 C CG . GLN A 486 ? 0.9984 0.5764 0.7292 0.1388 -0.0366 0.0764 484 GLN A CG 3839 C CD . GLN A 486 ? 0.9242 0.5047 0.6593 0.1643 -0.0424 0.0797 484 GLN A CD 3840 O OE1 . GLN A 486 ? 0.9206 0.5291 0.6693 0.1744 -0.0522 0.0738 484 GLN A OE1 3841 N NE2 . GLN A 486 ? 0.7823 0.3340 0.5069 0.1749 -0.0361 0.0892 484 GLN A NE2 3842 N N . ASN A 487 ? 1.1483 0.6772 0.8714 0.0851 -0.0067 0.0688 485 ASN A N 3843 C CA . ASN A 487 ? 1.1761 0.6717 0.8951 0.0747 0.0071 0.0701 485 ASN A CA 3844 C C . ASN A 487 ? 1.1149 0.6126 0.8417 0.0499 0.0139 0.0592 485 ASN A C 3845 O O . ASN A 487 ? 1.1297 0.6423 0.8669 0.0426 0.0109 0.0465 485 ASN A O 3846 C CB . ASN A 487 ? 1.1240 0.5899 0.8437 0.0869 0.0129 0.0691 485 ASN A CB 3847 C CG . ASN A 487 ? 1.2011 0.6617 0.9119 0.1121 0.0076 0.0822 485 ASN A CG 3848 O OD1 . ASN A 487 ? 1.1825 0.6616 0.8857 0.1201 -0.0007 0.0918 485 ASN A OD1 3849 N ND2 . ASN A 487 ? 1.1921 0.6282 0.9040 0.1252 0.0120 0.0818 485 ASN A ND2 3850 N N . ASN A 488 ? 1.0742 0.5579 0.7958 0.0377 0.0230 0.0647 486 ASN A N 3851 C CA . ASN A 488 ? 1.0782 0.5658 0.8080 0.0144 0.0297 0.0557 486 ASN A CA 3852 C C . ASN A 488 ? 0.9790 0.5026 0.7154 0.0052 0.0217 0.0496 486 ASN A C 3853 O O . ASN A 488 ? 0.9933 0.5260 0.7393 -0.0122 0.0247 0.0394 486 ASN A O 3854 C CB . ASN A 488 ? 1.1569 0.6262 0.8970 0.0051 0.0369 0.0424 486 ASN A CB 3855 C CG . ASN A 488 ? 1.3024 0.7669 1.0496 -0.0179 0.0464 0.0361 486 ASN A CG 3856 O OD1 . ASN A 488 ? 1.1335 0.6035 0.8768 -0.0255 0.0496 0.0439 486 ASN A OD1 3857 N ND2 . ASN A 488 ? 1.6255 1.0814 1.3841 -0.0289 0.0509 0.0209 486 ASN A ND2 3858 N N . SER A 489 ? 0.9142 0.4587 0.6458 0.0167 0.0114 0.0555 487 SER A N 3859 C CA . SER A 489 ? 0.8268 0.4031 0.5644 0.0092 0.0037 0.0500 487 SER A CA 3860 C C . SER A 489 ? 0.6729 0.2636 0.4031 0.0115 0.0002 0.0591 487 SER A C 3861 O O . SER A 489 ? 0.7038 0.2908 0.4246 0.0261 -0.0033 0.0686 487 SER A O 3862 C CB . SER A 489 ? 0.9185 0.5108 0.6617 0.0189 -0.0068 0.0437 487 SER A CB 3863 O OG . SER A 489 ? 1.0639 0.6832 0.8136 0.0096 -0.0129 0.0377 487 SER A OG 3864 N N . THR A 490 ? 0.7183 0.3258 0.4529 -0.0024 0.0013 0.0557 488 THR A N 3865 C CA . THR A 490 ? 0.7445 0.3690 0.4738 -0.0004 -0.0027 0.0616 488 THR A CA 3866 C C . THR A 490 ? 0.7008 0.3481 0.4332 0.0105 -0.0161 0.0594 488 THR A C 3867 O O . THR A 490 ? 0.6902 0.3526 0.4326 0.0067 -0.0216 0.0509 488 THR A O 3868 C CB . THR A 490 ? 0.9253 0.5633 0.6604 -0.0171 0.0018 0.0576 488 THR A CB 3869 O OG1 . THR A 490 ? 1.0624 0.6806 0.7941 -0.0261 0.0145 0.0618 488 THR A OG1 3870 C CG2 . THR A 490 ? 0.8510 0.5100 0.5832 -0.0138 -0.0040 0.0605 488 THR A CG2 3871 N N . SER A 491 ? 0.6296 0.2796 0.3537 0.0239 -0.0212 0.0671 489 SER A N 3872 C CA . SER A 491 ? 0.7106 0.3838 0.4395 0.0332 -0.0336 0.0645 489 SER A CA 3873 C C . SER A 491 ? 0.6356 0.3331 0.3709 0.0242 -0.0372 0.0597 489 SER A C 3874 O O . SER A 491 ? 0.6544 0.3520 0.3841 0.0179 -0.0320 0.0628 489 SER A O 3875 C CB . SER A 491 ? 0.7042 0.3753 0.4226 0.0501 -0.0388 0.0735 489 SER A CB 3876 O OG . SER A 491 ? 0.8112 0.4844 0.5194 0.0479 -0.0361 0.0794 489 SER A OG 3877 N N . TRP A 492 ? 0.6222 0.3390 0.3694 0.0243 -0.0456 0.0526 490 TRP A N 3878 C CA . TRP A 492 ? 0.5260 0.2654 0.2819 0.0173 -0.0496 0.0474 490 TRP A CA 3879 C C . TRP A 492 ? 0.6089 0.3627 0.3639 0.0281 -0.0587 0.0491 490 TRP A C 3880 O O . TRP A 492 ? 0.8074 0.5712 0.5696 0.0361 -0.0670 0.0467 490 TRP A O 3881 C CB . TRP A 492 ? 0.4472 0.1972 0.2167 0.0114 -0.0528 0.0396 490 TRP A CB 3882 C CG . TRP A 492 ? 0.5671 0.3360 0.3471 0.0021 -0.0540 0.0346 490 TRP A CG 3883 C CD1 . TRP A 492 ? 0.5279 0.3076 0.3084 0.0010 -0.0550 0.0349 490 TRP A CD1 3884 C CD2 . TRP A 492 ? 0.5678 0.3457 0.3584 -0.0063 -0.0540 0.0292 490 TRP A CD2 3885 N NE1 . TRP A 492 ? 0.5544 0.3478 0.3465 -0.0073 -0.0549 0.0300 490 TRP A NE1 3886 C CE2 . TRP A 492 ? 0.5916 0.3853 0.3904 -0.0118 -0.0543 0.0270 490 TRP A CE2 3887 C CE3 . TRP A 492 ? 0.5717 0.3447 0.3641 -0.0092 -0.0534 0.0263 490 TRP A CE3 3888 C CZ2 . TRP A 492 ? 0.5143 0.3198 0.3241 -0.0191 -0.0538 0.0232 490 TRP A CZ2 3889 C CZ3 . TRP A 492 ? 0.5676 0.3534 0.3690 -0.0170 -0.0538 0.0225 490 TRP A CZ3 3890 C CH2 . TRP A 492 ? 0.5472 0.3498 0.3580 -0.0215 -0.0538 0.0214 490 TRP A CH2 3891 N N . PRO A 493 ? 0.6168 0.3727 0.3626 0.0284 -0.0573 0.0529 491 PRO A N 3892 C CA . PRO A 493 ? 0.6595 0.4301 0.4020 0.0383 -0.0664 0.0539 491 PRO A CA 3893 C C . PRO A 493 ? 0.5725 0.3657 0.3288 0.0333 -0.0731 0.0452 491 PRO A C 3894 O O . PRO A 493 ? 0.5101 0.3064 0.2764 0.0219 -0.0690 0.0402 491 PRO A O 3895 C CB . PRO A 493 ? 0.4597 0.2223 0.1850 0.0389 -0.0610 0.0609 491 PRO A CB 3896 C CG . PRO A 493 ? 0.7234 0.4766 0.4503 0.0251 -0.0497 0.0599 491 PRO A CG 3897 C CD . PRO A 493 ? 0.5933 0.3396 0.3314 0.0193 -0.0472 0.0559 491 PRO A CD 3898 N N . VAL A 494 ? 0.5313 0.3407 0.2886 0.0418 -0.0834 0.0434 492 VAL A N 3899 C CA . VAL A 494 ? 0.4968 0.3261 0.2668 0.0366 -0.0894 0.0350 492 VAL A CA 3900 C C . VAL A 494 ? 0.6105 0.4407 0.3745 0.0293 -0.0850 0.0334 492 VAL A C 3901 O O . VAL A 494 ? 0.6230 0.4448 0.3706 0.0318 -0.0808 0.0389 492 VAL A O 3902 C CB . VAL A 494 ? 0.4890 0.3392 0.2638 0.0461 -0.1026 0.0312 492 VAL A CB 3903 C CG1 . VAL A 494 ? 0.5643 0.4199 0.3523 0.0519 -0.1079 0.0298 492 VAL A CG1 3904 C CG2 . VAL A 494 ? 0.4956 0.3467 0.2526 0.0572 -0.1066 0.0368 492 VAL A CG2 3905 N N . PHE A 495 ? 0.5598 0.3993 0.3366 0.0207 -0.0856 0.0263 493 PHE A N 3906 C CA . PHE A 495 ? 0.6652 0.5065 0.4378 0.0147 -0.0824 0.0232 493 PHE A CA 3907 C C . PHE A 495 ? 0.6192 0.4765 0.3878 0.0196 -0.0923 0.0175 493 PHE A C 3908 O O . PHE A 495 ? 0.6977 0.5697 0.4792 0.0191 -0.1005 0.0103 493 PHE A O 3909 C CB . PHE A 495 ? 0.5502 0.3921 0.3375 0.0041 -0.0785 0.0189 493 PHE A CB 3910 C CG . PHE A 495 ? 0.5073 0.3474 0.2898 -0.0015 -0.0737 0.0166 493 PHE A CG 3911 C CD1 . PHE A 495 ? 0.5479 0.3971 0.3295 -0.0018 -0.0793 0.0095 493 PHE A CD1 3912 C CD2 . PHE A 495 ? 0.5654 0.3962 0.3450 -0.0068 -0.0638 0.0202 493 PHE A CD2 3913 C CE1 . PHE A 495 ? 0.5909 0.4363 0.3663 -0.0061 -0.0747 0.0068 493 PHE A CE1 3914 C CE2 . PHE A 495 ? 0.6003 0.4302 0.3751 -0.0108 -0.0594 0.0182 493 PHE A CE2 3915 C CZ . PHE A 495 ? 0.5823 0.4178 0.3538 -0.0100 -0.0646 0.0119 493 PHE A CZ 3916 N N . LYS A 496 ? 0.6025 0.4581 0.3529 0.0240 -0.0915 0.0202 494 LYS A N 3917 C CA . LYS A 496 ? 0.6249 0.4968 0.3680 0.0283 -0.1007 0.0138 494 LYS A CA 3918 C C . LYS A 496 ? 0.6983 0.5672 0.4318 0.0226 -0.0953 0.0099 494 LYS A C 3919 O O . LYS A 496 ? 0.6466 0.5008 0.3715 0.0199 -0.0848 0.0163 494 LYS A O 3920 C CB . LYS A 496 ? 0.6692 0.5420 0.3948 0.0402 -0.1050 0.0213 494 LYS A CB 3921 C CG . LYS A 496 ? 0.7180 0.6099 0.4506 0.0484 -0.1185 0.0177 494 LYS A CG 3922 C CD . LYS A 496 ? 0.6670 0.5618 0.4218 0.0463 -0.1204 0.0152 494 LYS A CD 3923 C CE . LYS A 496 ? 0.6813 0.5981 0.4452 0.0549 -0.1340 0.0111 494 LYS A CE 3924 N NZ . LYS A 496 ? 0.6344 0.5757 0.4027 0.0518 -0.1442 -0.0014 494 LYS A NZ 3925 N N . SER A 497 ? 0.7982 0.6818 0.5337 0.0204 -0.1023 -0.0016 495 SER A N 3926 C CA . SER A 497 ? 0.8271 0.7074 0.5547 0.0150 -0.0973 -0.0077 495 SER A CA 3927 C C . SER A 497 ? 0.7578 0.6317 0.4602 0.0199 -0.0918 -0.0014 495 SER A C 3928 O O . SER A 497 ? 0.8063 0.6721 0.5009 0.0159 -0.0836 -0.0025 495 SER A O 3929 C CB . SER A 497 ? 0.9373 0.8343 0.6723 0.0110 -0.1061 -0.0238 495 SER A CB 3930 O OG . SER A 497 ? 1.0092 0.9242 0.7358 0.0173 -0.1168 -0.0279 495 SER A OG 3931 N N . THR A 498 ? 0.6852 0.5621 0.3740 0.0288 -0.0958 0.0058 496 THR A N 3932 C CA . THR A 498 ? 0.7128 0.5812 0.3764 0.0335 -0.0893 0.0145 496 THR A CA 3933 C C . THR A 498 ? 0.7649 0.6126 0.4270 0.0307 -0.0756 0.0265 496 THR A C 3934 O O . THR A 498 ? 0.7944 0.6345 0.4504 0.0256 -0.0656 0.0272 496 THR A O 3935 C CB . THR A 498 ? 0.8885 0.7644 0.5360 0.0445 -0.0979 0.0202 496 THR A CB 3936 O OG1 . THR A 498 ? 0.9972 0.8950 0.6437 0.0457 -0.1107 0.0074 496 THR A OG1 3937 C CG2 . THR A 498 ? 0.7890 0.6526 0.4087 0.0493 -0.0896 0.0317 496 THR A CG2 3938 N N . GLU A 499 ? 0.7873 0.6267 0.4551 0.0336 -0.0750 0.0351 497 GLU A N 3939 C CA . GLU A 499 ? 0.8375 0.6582 0.5041 0.0298 -0.0624 0.0449 497 GLU A CA 3940 C C . GLU A 499 ? 0.7896 0.6059 0.4768 0.0190 -0.0562 0.0408 497 GLU A C 3941 O O . GLU A 499 ? 0.7186 0.5248 0.4042 0.0128 -0.0451 0.0450 497 GLU A O 3942 C CB . GLU A 499 ? 1.0238 0.8352 0.6871 0.0371 -0.0637 0.0546 497 GLU A CB 3943 C CG . GLU A 499 ? 1.2243 1.0411 0.8679 0.0493 -0.0716 0.0595 497 GLU A CG 3944 C CD . GLU A 499 ? 1.4165 1.2221 1.0576 0.0579 -0.0730 0.0693 497 GLU A CD 3945 O OE1 . GLU A 499 ? 1.4690 1.2709 1.1282 0.0553 -0.0731 0.0674 497 GLU A OE1 3946 O OE2 . GLU A 499 ? 1.4849 1.2842 1.1045 0.0675 -0.0737 0.0790 497 GLU A OE2 3947 N N . GLN A 500 ? 0.6795 0.5046 0.3857 0.0165 -0.0633 0.0330 498 GLN A N 3948 C CA . GLN A 500 ? 0.6103 0.4326 0.3349 0.0069 -0.0585 0.0297 498 GLN A CA 3949 C C . GLN A 500 ? 0.6836 0.4937 0.4124 0.0027 -0.0499 0.0363 498 GLN A C 3950 O O . GLN A 500 ? 0.6750 0.4817 0.4087 -0.0052 -0.0419 0.0362 498 GLN A O 3951 C CB . GLN A 500 ? 0.5107 0.3350 0.2335 0.0014 -0.0543 0.0244 498 GLN A CB 3952 C CG . GLN A 500 ? 0.5684 0.4038 0.2867 0.0046 -0.0629 0.0155 498 GLN A CG 3953 C CD . GLN A 500 ? 0.6920 0.5267 0.3989 0.0024 -0.0578 0.0109 498 GLN A CD 3954 O OE1 . GLN A 500 ? 0.5712 0.4002 0.2832 -0.0037 -0.0504 0.0104 498 GLN A OE1 3955 N NE2 . GLN A 500 ? 0.8174 0.6590 0.5072 0.0078 -0.0619 0.0070 498 GLN A NE2 3956 N N . LYS A 501 ? 0.5914 0.3956 0.3180 0.0082 -0.0521 0.0414 499 LYS A N 3957 C CA . LYS A 501 ? 0.5852 0.3766 0.3151 0.0042 -0.0450 0.0460 499 LYS A CA 3958 C C . LYS A 501 ? 0.5577 0.3532 0.3073 -0.0030 -0.0456 0.0403 499 LYS A C 3959 O O . LYS A 501 ? 0.5750 0.3801 0.3359 -0.0014 -0.0531 0.0353 499 LYS A O 3960 C CB . LYS A 501 ? 0.5209 0.3029 0.2418 0.0135 -0.0477 0.0527 499 LYS A CB 3961 C CG . LYS A 501 ? 0.5523 0.3272 0.2513 0.0207 -0.0454 0.0612 499 LYS A CG 3962 C CD . LYS A 501 ? 0.6750 0.4405 0.3650 0.0319 -0.0489 0.0687 499 LYS A CD 3963 C CE . LYS A 501 ? 0.7246 0.4750 0.3916 0.0364 -0.0417 0.0804 499 LYS A CE 3964 N NZ . LYS A 501 ? 0.8310 0.5799 0.4851 0.0514 -0.0496 0.0873 499 LYS A NZ 3965 N N . TYR A 502 ? 0.5504 0.3394 0.3034 -0.0112 -0.0375 0.0413 500 TYR A N 3966 C CA . TYR A 502 ? 0.5407 0.3337 0.3092 -0.0175 -0.0381 0.0366 500 TYR A CA 3967 C C . TYR A 502 ? 0.5677 0.3475 0.3329 -0.0222 -0.0315 0.0397 500 TYR A C 3968 O O . TYR A 502 ? 0.5423 0.3093 0.2952 -0.0222 -0.0248 0.0457 500 TYR A O 3969 C CB . TYR A 502 ? 0.4349 0.2394 0.2136 -0.0246 -0.0363 0.0322 500 TYR A CB 3970 C CG . TYR A 502 ? 0.5627 0.3643 0.3350 -0.0306 -0.0274 0.0349 500 TYR A CG 3971 C CD1 . TYR A 502 ? 0.5692 0.3696 0.3292 -0.0280 -0.0242 0.0374 500 TYR A CD1 3972 C CD2 . TYR A 502 ? 0.5089 0.3097 0.2863 -0.0393 -0.0218 0.0349 500 TYR A CD2 3973 C CE1 . TYR A 502 ? 0.5282 0.3265 0.2821 -0.0337 -0.0147 0.0404 500 TYR A CE1 3974 C CE2 . TYR A 502 ? 0.5331 0.3326 0.3057 -0.0460 -0.0128 0.0376 500 TYR A CE2 3975 C CZ . TYR A 502 ? 0.5484 0.3468 0.3098 -0.0430 -0.0087 0.0406 500 TYR A CZ 3976 O OH . TYR A 502 ? 0.5618 0.3599 0.3186 -0.0498 0.0018 0.0436 500 TYR A OH 3977 N N . LEU A 503 ? 0.6215 0.4034 0.3968 -0.0264 -0.0331 0.0357 501 LEU A N 3978 C CA . LEU A 503 ? 0.6074 0.3762 0.3798 -0.0318 -0.0278 0.0368 501 LEU A CA 3979 C C . LEU A 503 ? 0.5266 0.3029 0.3065 -0.0437 -0.0239 0.0331 501 LEU A C 3980 O O . LEU A 503 ? 0.5105 0.3017 0.3008 -0.0455 -0.0286 0.0289 501 LEU A O 3981 C CB . LEU A 503 ? 0.6291 0.3928 0.4035 -0.0265 -0.0330 0.0352 501 LEU A CB 3982 C CG . LEU A 503 ? 0.7491 0.4955 0.5195 -0.0307 -0.0277 0.0354 501 LEU A CG 3983 C CD1 . LEU A 503 ? 0.7947 0.5199 0.5529 -0.0273 -0.0205 0.0426 501 LEU A CD1 3984 C CD2 . LEU A 503 ? 0.6390 0.3842 0.4129 -0.0257 -0.0336 0.0321 501 LEU A CD2 3985 N N . THR A 504 ? 0.5124 0.2790 0.2877 -0.0520 -0.0150 0.0354 502 THR A N 3986 C CA . THR A 504 ? 0.6776 0.4523 0.4603 -0.0644 -0.0114 0.0319 502 THR A CA 3987 C C . THR A 504 ? 0.7177 0.4870 0.5036 -0.0691 -0.0128 0.0276 502 THR A C 3988 O O . THR A 504 ? 0.7123 0.4649 0.4931 -0.0656 -0.0110 0.0286 502 THR A O 3989 C CB . THR A 504 ? 0.7218 0.4906 0.5018 -0.0740 0.0003 0.0350 502 THR A CB 3990 O OG1 . THR A 504 ? 0.7494 0.4976 0.5243 -0.0762 0.0073 0.0373 502 THR A OG1 3991 C CG2 . THR A 504 ? 0.6684 0.4399 0.4416 -0.0684 0.0028 0.0398 502 THR A CG2 3992 N N . LEU A 505 ? 0.6375 0.4206 0.4311 -0.0763 -0.0160 0.0230 503 LEU A N 3993 C CA . LEU A 505 ? 0.5804 0.3606 0.3771 -0.0812 -0.0177 0.0175 503 LEU A CA 3994 C C . LEU A 505 ? 0.5922 0.3821 0.3986 -0.0968 -0.0128 0.0115 503 LEU A C 3995 O O . LEU A 505 ? 0.6305 0.4395 0.4435 -0.1022 -0.0158 0.0100 503 LEU A O 3996 C CB . LEU A 505 ? 0.5574 0.3481 0.3558 -0.0752 -0.0273 0.0161 503 LEU A CB 3997 C CG . LEU A 505 ? 0.5940 0.3792 0.3889 -0.0614 -0.0326 0.0185 503 LEU A CG 3998 C CD1 . LEU A 505 ? 0.4244 0.2209 0.2239 -0.0576 -0.0400 0.0169 503 LEU A CD1 3999 C CD2 . LEU A 505 ? 0.5297 0.2945 0.3186 -0.0580 -0.0294 0.0182 503 LEU A CD2 4000 N N . ASN A 506 ? 0.5533 0.3317 0.3630 -0.1042 -0.0053 0.0071 504 ASN A N 4001 C CA . ASN A 506 ? 0.6390 0.4314 0.4632 -0.1197 -0.0012 -0.0024 504 ASN A CA 4002 C C . ASN A 506 ? 0.6739 0.4502 0.5023 -0.1251 0.0052 -0.0094 504 ASN A C 4003 O O . ASN A 506 ? 0.7145 0.4673 0.5331 -0.1162 0.0065 -0.0054 504 ASN A O 4004 C CB . ASN A 506 ? 0.7316 0.5330 0.5609 -0.1283 0.0061 0.0006 504 ASN A CB 4005 C CG . ASN A 506 ? 0.8459 0.6245 0.6679 -0.1275 0.0169 0.0073 504 ASN A CG 4006 O OD1 . ASN A 506 ? 1.0296 0.7973 0.8578 -0.1360 0.0250 0.0031 504 ASN A OD1 4007 N ND2 . ASN A 506 ? 0.8790 0.6508 0.6884 -0.1168 0.0170 0.0174 504 ASN A ND2 4008 N N . THR A 507 ? 0.6495 0.4399 0.4939 -0.1394 0.0087 -0.0205 505 THR A N 4009 C CA . THR A 507 ? 0.7306 0.5076 0.5818 -0.1460 0.0139 -0.0299 505 THR A CA 4010 C C . THR A 507 ? 0.8050 0.5581 0.6559 -0.1522 0.0270 -0.0251 505 THR A C 4011 O O . THR A 507 ? 0.8407 0.5707 0.6911 -0.1532 0.0321 -0.0281 505 THR A O 4012 C CB . THR A 507 ? 0.7445 0.5504 0.6144 -0.1575 0.0097 -0.0468 505 THR A CB 4013 O OG1 . THR A 507 ? 0.6733 0.5004 0.5583 -0.1706 0.0142 -0.0500 505 THR A OG1 4014 C CG2 . THR A 507 ? 0.7061 0.5369 0.5744 -0.1493 -0.0031 -0.0498 505 THR A CG2 4015 N N . GLU A 508 ? 0.8422 0.6001 0.6929 -0.1558 0.0330 -0.0174 506 GLU A N 4016 C CA . GLU A 508 ? 1.0040 0.7397 0.8528 -0.1610 0.0462 -0.0111 506 GLU A CA 4017 C C . GLU A 508 ? 1.1157 0.8187 0.9446 -0.1459 0.0477 0.0009 506 GLU A C 4018 O O . GLU A 508 ? 1.1642 0.8428 0.9918 -0.1462 0.0527 -0.0003 506 GLU A O 4019 C CB . GLU A 508 ? 0.9995 0.7493 0.8515 -0.1669 0.0528 -0.0053 506 GLU A CB 4020 C CG . GLU A 508 ? 1.0471 0.8242 0.9233 -0.1856 0.0571 -0.0172 506 GLU A CG 4021 C CD . GLU A 508 ? 1.0448 0.8376 0.9251 -0.1906 0.0645 -0.0113 506 GLU A CD 4022 O OE1 . GLU A 508 ? 1.0416 0.8242 0.9042 -0.1788 0.0651 0.0015 506 GLU A OE1 4023 O OE2 . GLU A 508 ? 1.0471 0.8647 0.9494 -0.2057 0.0695 -0.0204 506 GLU A OE2 4024 N N . SER A 509 ? 1.0952 0.7994 0.9097 -0.1323 0.0428 0.0117 507 SER A N 4025 C CA . SER A 509 ? 1.1198 0.8002 0.9167 -0.1163 0.0419 0.0224 507 SER A CA 4026 C C . SER A 509 ? 1.0265 0.7199 0.8135 -0.1022 0.0312 0.0280 507 SER A C 4027 O O . SER A 509 ? 1.0664 0.7772 0.8543 -0.1040 0.0303 0.0298 507 SER A O 4028 C CB . SER A 509 ? 1.1451 0.8052 0.9341 -0.1173 0.0540 0.0327 507 SER A CB 4029 O OG . SER A 509 ? 1.0686 0.7423 0.8528 -0.1159 0.0552 0.0391 507 SER A OG 4030 N N . THR A 510 ? 0.9872 0.6726 0.7662 -0.0884 0.0236 0.0301 508 THR A N 4031 C CA . THR A 510 ? 1.0355 0.7335 0.8073 -0.0753 0.0133 0.0343 508 THR A CA 4032 C C . THR A 510 ? 1.0087 0.6948 0.7671 -0.0642 0.0155 0.0450 508 THR A C 4033 O O . THR A 510 ? 1.0286 0.6922 0.7796 -0.0594 0.0204 0.0505 508 THR A O 4034 C CB . THR A 510 ? 1.0135 0.7149 0.7862 -0.0667 0.0032 0.0300 508 THR A CB 4035 O OG1 . THR A 510 ? 1.0373 0.7155 0.8041 -0.0590 0.0054 0.0326 508 THR A OG1 4036 C CG2 . THR A 510 ? 0.8396 0.5543 0.6238 -0.0775 0.0008 0.0197 508 THR A CG2 4037 N N . ARG A 511 ? 0.9781 0.6790 0.7333 -0.0601 0.0119 0.0480 509 ARG A N 4038 C CA . ARG A 511 ? 0.9291 0.6216 0.6709 -0.0503 0.0137 0.0574 509 ARG A CA 4039 C C . ARG A 511 ? 0.8108 0.5218 0.5506 -0.0410 0.0041 0.0572 509 ARG A C 4040 O O . ARG A 511 ? 0.7494 0.4795 0.4993 -0.0434 -0.0023 0.0504 509 ARG A O 4041 C CB . ARG A 511 ? 0.9895 0.6726 0.7269 -0.0592 0.0270 0.0631 509 ARG A CB 4042 C CG . ARG A 511 ? 0.9200 0.6218 0.6668 -0.0709 0.0305 0.0585 509 ARG A CG 4043 C CD . ARG A 511 ? 0.9277 0.6194 0.6744 -0.0828 0.0457 0.0626 509 ARG A CD 4044 N NE . ARG A 511 ? 1.0688 0.7797 0.8216 -0.0909 0.0498 0.0606 509 ARG A NE 4045 C CZ . ARG A 511 ? 1.2377 0.9503 0.9803 -0.0880 0.0556 0.0674 509 ARG A CZ 4046 N NH1 . ARG A 511 ? 1.2978 0.9945 1.0226 -0.0775 0.0574 0.0771 509 ARG A NH1 4047 N NH2 . ARG A 511 ? 1.2270 0.9579 0.9767 -0.0954 0.0600 0.0646 509 ARG A NH2 4048 N N . ILE A 512 ? 0.7074 0.4116 0.4340 -0.0303 0.0034 0.0649 510 ILE A N 4049 C CA . ILE A 512 ? 0.6506 0.3703 0.3746 -0.0209 -0.0059 0.0642 510 ILE A CA 4050 C C . ILE A 512 ? 0.7687 0.4945 0.4865 -0.0244 -0.0002 0.0667 510 ILE A C 4051 O O . ILE A 512 ? 0.8637 0.5763 0.5697 -0.0261 0.0096 0.0747 510 ILE A O 4052 C CB . ILE A 512 ? 0.6691 0.3798 0.3808 -0.0063 -0.0110 0.0709 510 ILE A CB 4053 C CG1 . ILE A 512 ? 0.6439 0.3471 0.3614 -0.0019 -0.0155 0.0688 510 ILE A CG1 4054 C CG2 . ILE A 512 ? 0.5993 0.3276 0.3081 0.0024 -0.0207 0.0694 510 ILE A CG2 4055 C CD1 . ILE A 512 ? 0.6664 0.3539 0.3708 0.0117 -0.0168 0.0777 510 ILE A CD1 4056 N N . MET A 513 ? 0.6790 0.4237 0.4045 -0.0256 -0.0054 0.0603 511 MET A N 4057 C CA . MET A 513 ? 0.6365 0.3878 0.3557 -0.0279 -0.0004 0.0618 511 MET A CA 4058 C C . MET A 513 ? 0.6556 0.4199 0.3723 -0.0194 -0.0098 0.0583 511 MET A C 4059 O O . MET A 513 ? 0.6183 0.3879 0.3408 -0.0133 -0.0198 0.0547 511 MET A O 4060 C CB . MET A 513 ? 0.6684 0.4292 0.4000 -0.0398 0.0049 0.0568 511 MET A CB 4061 C CG . MET A 513 ? 0.7049 0.4576 0.4443 -0.0500 0.0111 0.0564 511 MET A CG 4062 S SD . MET A 513 ? 0.9970 0.7457 0.7343 -0.0628 0.0276 0.0607 511 MET A SD 4063 C CE . MET A 513 ? 0.6890 0.4224 0.4040 -0.0539 0.0336 0.0718 511 MET A CE 4064 N N . THR A 514 ? 0.7137 0.4834 0.4218 -0.0196 -0.0060 0.0589 512 THR A N 4065 C CA . THR A 514 ? 0.7127 0.4930 0.4155 -0.0122 -0.0143 0.0549 512 THR A CA 4066 C C . THR A 514 ? 0.7018 0.4927 0.4091 -0.0170 -0.0119 0.0488 512 THR A C 4067 O O . THR A 514 ? 0.6891 0.4790 0.3961 -0.0241 -0.0017 0.0507 512 THR A O 4068 C CB . THR A 514 ? 0.7363 0.5115 0.4162 -0.0033 -0.0139 0.0619 512 THR A CB 4069 O OG1 . THR A 514 ? 0.8183 0.5865 0.4857 -0.0076 -0.0011 0.0683 512 THR A OG1 4070 C CG2 . THR A 514 ? 0.6102 0.3747 0.2847 0.0039 -0.0175 0.0686 512 THR A CG2 4071 N N . LYS A 515 ? 0.5760 0.3764 0.2876 -0.0134 -0.0210 0.0415 513 LYS A N 4072 C CA . LYS A 515 ? 0.6184 0.4259 0.3295 -0.0154 -0.0195 0.0355 513 LYS A CA 4073 C C . LYS A 515 ? 0.5502 0.3602 0.2733 -0.0240 -0.0119 0.0348 513 LYS A C 4074 O O . LYS A 515 ? 0.6093 0.4198 0.3245 -0.0268 -0.0023 0.0365 513 LYS A O 4075 C CB . LYS A 515 ? 0.6420 0.4486 0.3305 -0.0112 -0.0146 0.0374 513 LYS A CB 4076 C CG . LYS A 515 ? 0.6377 0.4459 0.3117 -0.0019 -0.0232 0.0376 513 LYS A CG 4077 C CD . LYS A 515 ? 0.7668 0.5780 0.4186 0.0021 -0.0197 0.0365 513 LYS A CD 4078 C CE . LYS A 515 ? 1.0539 0.8711 0.6910 0.0115 -0.0302 0.0354 513 LYS A CE 4079 N NZ . LYS A 515 ? 1.1760 0.9857 0.8036 0.0169 -0.0300 0.0472 513 LYS A NZ 4080 N N . LEU A 516 ? 0.4546 0.2679 0.1961 -0.0277 -0.0158 0.0326 514 LEU A N 4081 C CA . LEU A 516 ? 0.5300 0.3491 0.2835 -0.0350 -0.0106 0.0322 514 LEU A CA 4082 C C . LEU A 516 ? 0.6930 0.5175 0.4435 -0.0349 -0.0071 0.0287 514 LEU A C 4083 O O . LEU A 516 ? 0.5416 0.3662 0.2917 -0.0310 -0.0134 0.0235 514 LEU A O 4084 C CB . LEU A 516 ? 0.5528 0.3765 0.3243 -0.0367 -0.0175 0.0297 514 LEU A CB 4085 C CG . LEU A 516 ? 0.5490 0.3818 0.3332 -0.0427 -0.0148 0.0293 514 LEU A CG 4086 C CD1 . LEU A 516 ? 0.4992 0.3311 0.2814 -0.0508 -0.0060 0.0332 514 LEU A CD1 4087 C CD2 . LEU A 516 ? 0.4872 0.3248 0.2861 -0.0423 -0.0222 0.0268 514 LEU A CD2 4088 N N . ARG A 517 ? 0.6461 0.4742 0.3938 -0.0397 0.0037 0.0314 515 ARG A N 4089 C CA . ARG A 517 ? 0.7034 0.5370 0.4467 -0.0390 0.0099 0.0286 515 ARG A CA 4090 C C . ARG A 517 ? 0.7855 0.6131 0.5133 -0.0315 0.0070 0.0226 515 ARG A C 4091 O O . ARG A 517 ? 0.6572 0.4841 0.3833 -0.0287 0.0065 0.0169 515 ARG A O 4092 C CB . ARG A 517 ? 0.7095 0.5512 0.4675 -0.0408 0.0075 0.0276 515 ARG A CB 4093 C CG . ARG A 517 ? 0.7403 0.5878 0.5150 -0.0467 0.0035 0.0306 515 ARG A CG 4094 C CD . ARG A 517 ? 0.5969 0.4579 0.3791 -0.0546 0.0110 0.0335 515 ARG A CD 4095 N NE . ARG A 517 ? 0.5584 0.4342 0.3505 -0.0487 0.0147 0.0306 515 ARG A NE 4096 C CZ . ARG A 517 ? 0.7418 0.6362 0.5450 -0.0504 0.0251 0.0296 515 ARG A CZ 4097 N NH1 . ARG A 517 ? 0.7462 0.6442 0.5488 -0.0609 0.0338 0.0318 515 ARG A NH1 4098 N NH2 . ARG A 517 ? 0.6997 0.6088 0.5156 -0.0416 0.0280 0.0264 515 ARG A NH2 4099 N N . ALA A 518 ? 0.6590 0.4814 0.3740 -0.0280 0.0051 0.0235 516 ALA A N 4100 C CA . ALA A 518 ? 0.6988 0.5180 0.3990 -0.0213 0.0000 0.0168 516 ALA A CA 4101 C C . ALA A 518 ? 0.7017 0.5216 0.3892 -0.0191 0.0090 0.0107 516 ALA A C 4102 O O . ALA A 518 ? 0.6539 0.4706 0.3344 -0.0150 0.0048 0.0009 516 ALA A O 4103 C CB . ALA A 518 ? 0.6212 0.4381 0.3078 -0.0172 -0.0020 0.0209 516 ALA A CB 4104 N N . GLN A 519 ? 0.6699 0.4944 0.3554 -0.0222 0.0225 0.0154 517 GLN A N 4105 C CA . GLN A 519 ? 0.6778 0.5051 0.3521 -0.0191 0.0341 0.0098 517 GLN A CA 4106 C C . GLN A 519 ? 0.7291 0.5564 0.4121 -0.0179 0.0358 0.0036 517 GLN A C 4107 O O . GLN A 519 ? 0.9315 0.7545 0.6050 -0.0116 0.0397 -0.0065 517 GLN A O 4108 C CB . GLN A 519 ? 0.8134 0.6484 0.4855 -0.0234 0.0496 0.0174 517 GLN A CB 4109 C CG . GLN A 519 ? 1.0461 0.8847 0.7012 -0.0185 0.0617 0.0127 517 GLN A CG 4110 C CD . GLN A 519 ? 1.2283 1.0781 0.8919 -0.0187 0.0770 0.0093 517 GLN A CD 4111 O OE1 . GLN A 519 ? 1.1859 1.0424 0.8676 -0.0235 0.0788 0.0120 517 GLN A OE1 4112 N NE2 . GLN A 519 ? 1.3291 1.1834 0.9806 -0.0127 0.0885 0.0028 517 GLN A NE2 4113 N N . GLN A 520 ? 0.5675 0.3987 0.2677 -0.0227 0.0332 0.0092 518 GLN A N 4114 C CA . GLN A 520 ? 0.6071 0.4473 0.3344 -0.0186 0.0313 0.0051 518 GLN A CA 4115 C C . GLN A 520 ? 0.6513 0.4785 0.3791 -0.0150 0.0195 -0.0018 518 GLN A C 4116 O O . GLN A 520 ? 0.7754 0.6005 0.5126 -0.0088 0.0214 -0.0089 518 GLN A O 4117 C CB . GLN A 520 ? 0.5298 0.3848 0.2822 -0.0237 0.0299 0.0128 518 GLN A CB 4118 C CG . GLN A 520 ? 0.6478 0.5206 0.4085 -0.0292 0.0420 0.0174 518 GLN A CG 4119 C CD . GLN A 520 ? 0.7525 0.6160 0.4950 -0.0386 0.0452 0.0239 518 GLN A CD 4120 O OE1 . GLN A 520 ? 0.7858 0.6323 0.5115 -0.0379 0.0373 0.0249 518 GLN A OE1 4121 N NE2 . GLN A 520 ? 0.6527 0.5302 0.4049 -0.0466 0.0566 0.0277 518 GLN A NE2 4122 N N . CYS A 521 ? 0.5857 0.4037 0.3046 -0.0188 0.0082 0.0000 519 CYS A N 4123 C CA . CYS A 521 ? 0.5693 0.3783 0.2928 -0.0177 -0.0028 -0.0069 519 CYS A CA 4124 C C . CYS A 521 ? 0.5799 0.3793 0.2856 -0.0140 -0.0039 -0.0199 519 CYS A C 4125 O O . CYS A 521 ? 0.5892 0.3816 0.3036 -0.0129 -0.0077 -0.0293 519 CYS A O 4126 C CB . CYS A 521 ? 0.5688 0.3769 0.2944 -0.0221 -0.0141 -0.0015 519 CYS A CB 4127 S SG . CYS A 521 ? 0.8551 0.6722 0.6018 -0.0265 -0.0141 0.0094 519 CYS A SG 4128 N N . ARG A 522 ? 0.5638 0.3657 0.2506 -0.0122 0.0003 -0.0201 520 ARG A N 4129 C CA . ARG A 522 ? 0.6037 0.4028 0.2773 -0.0078 0.0000 -0.0327 520 ARG A CA 4130 C C . ARG A 522 ? 0.7425 0.5315 0.4158 -0.0037 0.0090 -0.0443 520 ARG A C 4131 O O . ARG A 522 ? 0.7735 0.5541 0.4460 -0.0022 0.0054 -0.0585 520 ARG A O 4132 C CB . ARG A 522 ? 0.6680 0.4757 0.3261 -0.0054 0.0064 -0.0283 520 ARG A CB 4133 C CG . ARG A 522 ? 0.6579 0.4675 0.3011 -0.0009 0.0031 -0.0401 520 ARG A CG 4134 C CD . ARG A 522 ? 0.6349 0.4523 0.2593 0.0021 0.0109 -0.0345 520 ARG A CD 4135 N NE . ARG A 522 ? 0.8333 0.6530 0.4424 0.0070 0.0108 -0.0491 520 ARG A NE 4136 C CZ . ARG A 522 ? 0.7624 0.5820 0.3608 0.0107 0.0237 -0.0558 520 ARG A CZ 4137 N NH1 . ARG A 522 ? 0.6507 0.4704 0.2527 0.0105 0.0386 -0.0483 520 ARG A NH1 4138 N NH2 . ARG A 522 ? 0.8192 0.6415 0.4048 0.0146 0.0222 -0.0707 520 ARG A NH2 4139 N N . PHE A 523 ? 0.7003 0.4982 0.3899 -0.0015 0.0204 -0.0369 521 PHE A N 4140 C CA . PHE A 523 ? 0.7274 0.5236 0.4321 0.0054 0.0296 -0.0436 521 PHE A CA 4141 C C . PHE A 523 ? 0.7272 0.5131 0.4537 0.0054 0.0232 -0.0464 521 PHE A C 4142 O O . PHE A 523 ? 0.7614 0.5340 0.4909 0.0099 0.0268 -0.0579 521 PHE A O 4143 C CB . PHE A 523 ? 0.7327 0.5466 0.4530 0.0088 0.0418 -0.0340 521 PHE A CB 4144 C CG . PHE A 523 ? 0.8424 0.6568 0.5830 0.0185 0.0497 -0.0377 521 PHE A CG 4145 C CD1 . PHE A 523 ? 0.8822 0.6943 0.6152 0.0271 0.0616 -0.0479 521 PHE A CD1 4146 C CD2 . PHE A 523 ? 0.8299 0.6461 0.5956 0.0206 0.0458 -0.0307 521 PHE A CD2 4147 C CE1 . PHE A 523 ? 0.8521 0.6625 0.6038 0.0383 0.0693 -0.0509 521 PHE A CE1 4148 C CE2 . PHE A 523 ? 0.8644 0.6787 0.6469 0.0320 0.0531 -0.0323 521 PHE A CE2 4149 C CZ . PHE A 523 ? 0.8607 0.6715 0.6369 0.0412 0.0649 -0.0424 521 PHE A CZ 4150 N N . TRP A 524 ? 0.5665 0.3567 0.3074 0.0002 0.0151 -0.0361 522 TRP A N 4151 C CA . TRP A 524 ? 0.5555 0.3368 0.3168 0.0001 0.0115 -0.0358 522 TRP A CA 4152 C C . TRP A 524 ? 0.6796 0.4460 0.4369 -0.0056 0.0026 -0.0476 522 TRP A C 4153 O O . TRP A 524 ? 0.8865 0.6395 0.6577 -0.0053 0.0042 -0.0523 522 TRP A O 4154 C CB . TRP A 524 ? 0.4967 0.2898 0.2747 -0.0025 0.0075 -0.0210 522 TRP A CB 4155 C CG . TRP A 524 ? 0.5435 0.3535 0.3323 0.0032 0.0158 -0.0119 522 TRP A CG 4156 C CD1 . TRP A 524 ? 0.5645 0.3923 0.3522 -0.0005 0.0167 -0.0042 522 TRP A CD1 4157 C CD2 . TRP A 524 ? 0.5611 0.3735 0.3649 0.0138 0.0244 -0.0105 522 TRP A CD2 4158 N NE1 . TRP A 524 ? 0.5835 0.4282 0.3865 0.0059 0.0245 0.0005 522 TRP A NE1 4159 C CE2 . TRP A 524 ? 0.5937 0.4303 0.4063 0.0161 0.0288 -0.0025 522 TRP A CE2 4160 C CE3 . TRP A 524 ? 0.5868 0.3823 0.3979 0.0219 0.0292 -0.0153 522 TRP A CE3 4161 C CZ2 . TRP A 524 ? 0.5505 0.3994 0.3795 0.0277 0.0363 0.0009 522 TRP A CZ2 4162 C CZ3 . TRP A 524 ? 0.5929 0.3957 0.4181 0.0345 0.0377 -0.0103 522 TRP A CZ3 4163 C CH2 . TRP A 524 ? 0.5650 0.3964 0.3992 0.0381 0.0404 -0.0024 522 TRP A CH2 4164 N N . THR A 525 ? 0.6614 0.4305 0.4003 -0.0104 -0.0063 -0.0525 523 THR A N 4165 C CA . THR A 525 ? 0.7180 0.4791 0.4552 -0.0162 -0.0164 -0.0656 523 THR A CA 4166 C C . THR A 525 ? 0.8184 0.5740 0.5420 -0.0143 -0.0148 -0.0834 523 THR A C 4167 O O . THR A 525 ? 0.7888 0.5425 0.5261 -0.0185 -0.0188 -0.0956 523 THR A O 4168 C CB . THR A 525 ? 0.7638 0.5381 0.4949 -0.0205 -0.0292 -0.0611 523 THR A CB 4169 O OG1 . THR A 525 ? 0.9718 0.7576 0.6845 -0.0164 -0.0294 -0.0614 523 THR A OG1 4170 C CG2 . THR A 525 ? 0.5923 0.3726 0.3314 -0.0219 -0.0303 -0.0445 523 THR A CG2 4171 N N . SER A 526 ? 0.8595 0.6196 0.5630 -0.0083 -0.0079 -0.0838 524 SER A N 4172 C CA . SER A 526 ? 0.8622 0.6263 0.5558 -0.0059 -0.0073 -0.0990 524 SER A CA 4173 C C . SER A 526 ? 0.8430 0.5959 0.5295 0.0017 0.0075 -0.1072 524 SER A C 4174 O O . SER A 526 ? 0.9470 0.7016 0.6269 0.0035 0.0086 -0.1221 524 SER A O 4175 C CB . SER A 526 ? 0.8698 0.6533 0.5454 -0.0047 -0.0133 -0.0947 524 SER A CB 4176 O OG . SER A 526 ? 0.9756 0.7694 0.6592 -0.0089 -0.0251 -0.0850 524 SER A OG 4177 N N . PHE A 527 ? 0.8483 0.5927 0.5374 0.0072 0.0192 -0.0984 525 PHE A N 4178 C CA . PHE A 527 ? 0.8745 0.6116 0.5650 0.0167 0.0342 -0.1058 525 PHE A CA 4179 C C . PHE A 527 ? 0.7976 0.5222 0.5171 0.0210 0.0404 -0.1027 525 PHE A C 4180 O O . PHE A 527 ? 0.7575 0.4622 0.4797 0.0248 0.0464 -0.1170 525 PHE A O 4181 C CB . PHE A 527 ? 0.7844 0.5383 0.4652 0.0233 0.0458 -0.0969 525 PHE A CB 4182 C CG . PHE A 527 ? 0.7452 0.4939 0.4254 0.0344 0.0614 -0.1068 525 PHE A CG 4183 C CD1 . PHE A 527 ? 0.8159 0.5596 0.4775 0.0365 0.0636 -0.1244 525 PHE A CD1 4184 C CD2 . PHE A 527 ? 0.6752 0.4304 0.3798 0.0433 0.0722 -0.0978 525 PHE A CD2 4185 C CE1 . PHE A 527 ? 0.7975 0.5374 0.4608 0.0473 0.0783 -0.1342 525 PHE A CE1 4186 C CE2 . PHE A 527 ? 0.6817 0.4327 0.3873 0.0557 0.0870 -0.1072 525 PHE A CE2 4187 C CZ . PHE A 527 ? 0.7009 0.4396 0.3818 0.0580 0.0916 -0.1267 525 PHE A CZ 4188 N N . PHE A 528 ? 0.6657 0.4008 0.4053 0.0211 0.0393 -0.0843 526 PHE A N 4189 C CA . PHE A 528 ? 0.7517 0.4770 0.5165 0.0273 0.0448 -0.0773 526 PHE A CA 4190 C C . PHE A 528 ? 0.8984 0.5953 0.6717 0.0240 0.0441 -0.0885 526 PHE A C 4191 O O . PHE A 528 ? 1.0044 0.6841 0.7887 0.0332 0.0545 -0.0901 526 PHE A O 4192 C CB . PHE A 528 ? 0.7498 0.4918 0.5310 0.0255 0.0398 -0.0574 526 PHE A CB 4193 C CG . PHE A 528 ? 0.8355 0.5727 0.6384 0.0355 0.0463 -0.0474 526 PHE A CG 4194 C CD1 . PHE A 528 ? 0.8001 0.5475 0.6102 0.0494 0.0570 -0.0433 526 PHE A CD1 4195 C CD2 . PHE A 528 ? 0.8221 0.5457 0.6380 0.0321 0.0423 -0.0414 526 PHE A CD2 4196 C CE1 . PHE A 528 ? 0.7345 0.4790 0.5630 0.0613 0.0620 -0.0330 526 PHE A CE1 4197 C CE2 . PHE A 528 ? 0.7237 0.4415 0.5558 0.0431 0.0488 -0.0302 526 PHE A CE2 4198 C CZ . PHE A 528 ? 0.7212 0.4494 0.5590 0.0586 0.0578 -0.0258 526 PHE A CZ 4199 N N . PRO A 529 ? 0.9161 0.6080 0.6858 0.0110 0.0325 -0.0960 527 PRO A N 4200 C CA . PRO A 529 ? 0.8718 0.5416 0.6552 0.0052 0.0328 -0.1074 527 PRO A CA 4201 C C . PRO A 529 ? 0.8971 0.5567 0.6809 0.0101 0.0407 -0.1242 527 PRO A C 4202 O O . PRO A 529 ? 1.0384 0.6807 0.8411 0.0119 0.0472 -0.1266 527 PRO A O 4203 C CB . PRO A 529 ? 0.8894 0.5753 0.6735 -0.0087 0.0174 -0.1137 527 PRO A CB 4204 C CG . PRO A 529 ? 0.9966 0.6962 0.7688 -0.0096 0.0105 -0.0990 527 PRO A CG 4205 C CD . PRO A 529 ? 0.9777 0.6880 0.7386 0.0015 0.0190 -0.0914 527 PRO A CD 4206 N N . LYS A 530 ? 0.9235 0.5939 0.6860 0.0129 0.0406 -0.1350 528 LYS A N 4207 C CA . LYS A 530 ? 1.0410 0.7041 0.8017 0.0177 0.0473 -0.1528 528 LYS A CA 4208 C C . LYS A 530 ? 1.1303 0.7799 0.8949 0.0336 0.0641 -0.1477 528 LYS A C 4209 O O . LYS A 530 ? 1.2412 0.8821 1.0066 0.0401 0.0718 -0.1611 528 LYS A O 4210 C CB . LYS A 530 ? 1.0336 0.7160 0.7693 0.0166 0.0421 -0.1644 528 LYS A CB 4211 C CG . LYS A 530 ? 0.9913 0.6925 0.7226 0.0045 0.0250 -0.1663 528 LYS A CG 4212 C CD . LYS A 530 ? 1.0419 0.7635 0.7473 0.0061 0.0207 -0.1745 528 LYS A CD 4213 C CE . LYS A 530 ? 1.0805 0.8218 0.7855 -0.0036 0.0038 -0.1782 528 LYS A CE 4214 N NZ . LYS A 530 ? 1.1314 0.8756 0.8465 -0.0086 -0.0029 -0.1596 528 LYS A NZ 4215 N N . VAL A 531 ? 1.0803 0.7302 0.8486 0.0413 0.0694 -0.1289 529 VAL A N 4216 C CA . VAL A 531 ? 1.0901 0.7345 0.8651 0.0595 0.0846 -0.1221 529 VAL A CA 4217 C C . VAL A 531 ? 1.1896 0.8130 0.9902 0.0644 0.0893 -0.1154 529 VAL A C 4218 O O . VAL A 531 ? 1.1958 0.8119 1.0089 0.0537 0.0819 -0.1098 529 VAL A O 4219 C CB . VAL A 531 ? 1.0221 0.6979 0.8007 0.0651 0.0843 -0.1019 529 VAL A CB 4220 C CG1 . VAL A 531 ? 0.9790 0.6555 0.7823 0.0753 0.0875 -0.0828 529 VAL A CG1 4221 C CG2 . VAL A 531 ? 1.0693 0.7636 0.8363 0.0746 0.0940 -0.1064 529 VAL A CG2 4222 O OXT . VAL A 531 ? 1.2544 0.8695 1.0641 0.0794 0.1009 -0.1147 529 VAL A OXT 4223 N N . ILE B 6 ? 1.4270 1.0318 1.0710 0.0646 0.4592 -0.1873 4 ILE B N 4224 C CA . ILE B 6 ? 1.4205 1.0537 1.1280 0.0831 0.4486 -0.1755 4 ILE B CA 4225 C C . ILE B 6 ? 1.3586 1.0430 1.1078 0.0838 0.4414 -0.1586 4 ILE B C 4226 O O . ILE B 6 ? 1.3125 1.0060 1.0520 0.0707 0.4157 -0.1508 4 ILE B O 4227 C CB . ILE B 6 ? 1.2915 0.9032 0.9873 0.0782 0.4190 -0.1754 4 ILE B CB 4228 C CG1 . ILE B 6 ? 1.3614 0.9200 1.0001 0.0674 0.4202 -0.1922 4 ILE B CG1 4229 C CG2 . ILE B 6 ? 1.2558 0.8863 1.0131 0.1009 0.4155 -0.1666 4 ILE B CG2 4230 C CD1 . ILE B 6 ? 1.3735 0.9123 0.9513 0.0398 0.3992 -0.1954 4 ILE B CD1 4231 N N . ILE B 7 ? 1.3400 1.0583 1.1372 0.0991 0.4646 -0.1529 5 ILE B N 4232 C CA . ILE B 7 ? 1.2511 1.0185 1.0848 0.0971 0.4632 -0.1379 5 ILE B CA 4233 C C . ILE B 7 ? 1.2044 1.0156 1.1185 0.1192 0.4637 -0.1243 5 ILE B C 4234 O O . ILE B 7 ? 1.2496 1.0599 1.1955 0.1389 0.4796 -0.1270 5 ILE B O 4235 C CB . ILE B 7 ? 1.2130 0.9884 1.0303 0.0902 0.4907 -0.1412 5 ILE B CB 4236 C CG1 . ILE B 7 ? 1.2411 0.9659 0.9797 0.0734 0.4961 -0.1575 5 ILE B CG1 4237 C CG2 . ILE B 7 ? 1.1337 0.9493 0.9662 0.0781 0.4834 -0.1266 5 ILE B CG2 4238 C CD1 . ILE B 7 ? 1.3297 1.0602 1.0374 0.0590 0.5135 -0.1580 5 ILE B CD1 4239 N N . ILE B 8 ? 1.0356 0.8851 0.9822 0.1155 0.4452 -0.1091 6 ILE B N 4240 C CA . ILE B 8 ? 0.9720 0.8670 0.9951 0.1335 0.4399 -0.0938 6 ILE B CA 4241 C C . ILE B 8 ? 1.0136 0.9602 1.0735 0.1267 0.4401 -0.0793 6 ILE B C 4242 O O . ILE B 8 ? 1.0068 0.9556 1.0393 0.1077 0.4268 -0.0760 6 ILE B O 4243 C CB . ILE B 8 ? 0.8290 0.7189 0.8636 0.1379 0.4099 -0.0879 6 ILE B CB 4244 C CG1 . ILE B 8 ? 0.8820 0.7305 0.9009 0.1492 0.4110 -0.0983 6 ILE B CG1 4245 C CG2 . ILE B 8 ? 0.7221 0.6644 0.8310 0.1508 0.3984 -0.0691 6 ILE B CG2 4246 C CD1 . ILE B 8 ? 0.8788 0.7366 0.9423 0.1720 0.4332 -0.0979 6 ILE B CD1 4247 N N . ALA B 9 ? 1.0185 1.0067 1.1414 0.1414 0.4544 -0.0700 7 ALA B N 4248 C CA . ALA B 9 ? 0.9913 1.0331 1.1579 0.1347 0.4536 -0.0547 7 ALA B CA 4249 C C . ALA B 9 ? 0.9988 1.0764 1.2171 0.1388 0.4246 -0.0382 7 ALA B C 4250 O O . ALA B 9 ? 1.0315 1.1295 1.3027 0.1575 0.4192 -0.0304 7 ALA B O 4251 C CB . ALA B 9 ? 0.7827 0.8563 0.9943 0.1464 0.4818 -0.0518 7 ALA B CB 4252 N N . THR B 10 ? 1.0034 1.0876 1.2054 0.1209 0.4053 -0.0324 8 THR B N 4253 C CA . THR B 10 ? 0.9763 1.0977 1.2272 0.1222 0.3785 -0.0164 8 THR B CA 4254 C C . THR B 10 ? 1.0088 1.1866 1.3149 0.1167 0.3825 -0.0016 8 THR B C 4255 O O . THR B 10 ? 1.0328 1.2193 1.3388 0.1137 0.4075 -0.0043 8 THR B O 4256 C CB . THR B 10 ? 0.9016 1.0047 1.1123 0.1056 0.3560 -0.0168 8 THR B CB 4257 O OG1 . THR B 10 ? 0.8913 1.0038 1.0811 0.0837 0.3611 -0.0139 8 THR B OG1 4258 C CG2 . THR B 10 ? 0.9208 0.9651 1.0656 0.1050 0.3548 -0.0333 8 THR B CG2 4259 N N . LYS B 11 ? 0.9952 1.2113 1.3475 0.1142 0.3571 0.0139 9 LYS B N 4260 C CA . LYS B 11 ? 0.9906 1.2613 1.3969 0.1057 0.3556 0.0288 9 LYS B CA 4261 C C . LYS B 11 ? 1.0259 1.2970 1.4004 0.0794 0.3608 0.0296 9 LYS B C 4262 O O . LYS B 11 ? 1.0617 1.3731 1.4721 0.0680 0.3629 0.0405 9 LYS B O 4263 C CB . LYS B 11 ? 0.9051 1.2142 1.3668 0.1086 0.3226 0.0450 9 LYS B CB 4264 C CG . LYS B 11 ? 0.9459 1.2636 1.4480 0.1332 0.3159 0.0492 9 LYS B CG 4265 C CD . LYS B 11 ? 1.0156 1.3561 1.5558 0.1456 0.3415 0.0502 9 LYS B CD 4266 C CE . LYS B 11 ? 1.0540 1.4018 1.6348 0.1700 0.3340 0.0559 9 LYS B CE 4267 N NZ . LYS B 11 ? 1.0773 1.3719 1.6149 0.1828 0.3349 0.0441 9 LYS B NZ 4268 N N . ASN B 12 ? 1.0004 1.2252 1.3062 0.0689 0.3616 0.0185 10 ASN B N 4269 C CA . ASN B 12 ? 1.0182 1.2354 1.2849 0.0434 0.3642 0.0201 10 ASN B CA 4270 C C . ASN B 12 ? 1.0437 1.2211 1.2456 0.0376 0.3895 0.0063 10 ASN B C 4271 O O . ASN B 12 ? 1.1187 1.2891 1.2857 0.0167 0.3941 0.0086 10 ASN B O 4272 C CB . ASN B 12 ? 1.0744 1.2730 1.3132 0.0311 0.3383 0.0220 10 ASN B CB 4273 C CG . ASN B 12 ? 1.1032 1.3390 1.4017 0.0358 0.3107 0.0354 10 ASN B CG 4274 O OD1 . ASN B 12 ? 1.0743 1.3470 1.4103 0.0219 0.2989 0.0491 10 ASN B OD1 4275 N ND2 . ASN B 12 ? 1.1226 1.3472 1.4279 0.0541 0.2979 0.0318 10 ASN B ND2 4276 N N . GLY B 13 ? 0.9325 1.0824 1.1170 0.0550 0.4041 -0.0073 11 GLY B N 4277 C CA . GLY B 13 ? 0.9068 1.0168 1.0288 0.0500 0.4260 -0.0215 11 GLY B CA 4278 C C . GLY B 13 ? 0.9645 1.0265 1.0476 0.0630 0.4272 -0.0382 11 GLY B C 4279 O O . GLY B 13 ? 0.9951 1.0537 1.0992 0.0766 0.4115 -0.0383 11 GLY B O 4280 N N . LYS B 14 ? 0.9833 1.0076 1.0089 0.0575 0.4448 -0.0517 12 LYS B N 4281 C CA . LYS B 14 ? 0.9901 0.9654 0.9739 0.0658 0.4460 -0.0683 12 LYS B CA 4282 C C . LYS B 14 ? 0.9852 0.9223 0.9111 0.0514 0.4201 -0.0733 12 LYS B C 4283 O O . LYS B 14 ? 0.9911 0.9281 0.8883 0.0319 0.4086 -0.0676 12 LYS B O 4284 C CB . LYS B 14 ? 1.0064 0.9568 0.9518 0.0646 0.4750 -0.0811 12 LYS B CB 4285 C CG . LYS B 14 ? 0.9364 0.9212 0.9350 0.0798 0.5041 -0.0782 12 LYS B CG 4286 C CD . LYS B 14 ? 1.0126 0.9631 0.9680 0.0817 0.5330 -0.0944 12 LYS B CD 4287 C CE . LYS B 14 ? 1.0486 1.0347 1.0541 0.0953 0.5650 -0.0916 12 LYS B CE 4288 N NZ . LYS B 14 ? 1.0734 1.0234 1.0396 0.1006 0.5949 -0.1091 12 LYS B NZ 4289 N N . VAL B 15 ? 1.0010 0.9060 0.9114 0.0604 0.4101 -0.0831 13 VAL B N 4290 C CA . VAL B 15 ? 1.0169 0.8836 0.8712 0.0468 0.3861 -0.0893 13 VAL B CA 4291 C C . VAL B 15 ? 1.0462 0.8643 0.8546 0.0483 0.3910 -0.1061 13 VAL B C 4292 O O . VAL B 15 ? 1.0658 0.8771 0.8983 0.0660 0.4012 -0.1115 13 VAL B O 4293 C CB . VAL B 15 ? 0.8214 0.6999 0.7030 0.0517 0.3592 -0.0815 13 VAL B CB 4294 C CG1 . VAL B 15 ? 0.7674 0.6886 0.6847 0.0454 0.3514 -0.0657 13 VAL B CG1 4295 C CG2 . VAL B 15 ? 0.8164 0.7013 0.7451 0.0752 0.3613 -0.0816 13 VAL B CG2 4296 N N . ARG B 16 ? 1.0467 0.8311 0.7899 0.0288 0.3828 -0.1133 14 ARG B N 4297 C CA . ARG B 16 ? 1.1131 0.8515 0.8107 0.0263 0.3843 -0.1285 14 ARG B CA 4298 C C . ARG B 16 ? 1.0916 0.8118 0.7794 0.0240 0.3552 -0.1295 14 ARG B C 4299 O O . ARG B 16 ? 1.0983 0.8274 0.7803 0.0134 0.3310 -0.1214 14 ARG B O 4300 C CB . ARG B 16 ? 1.1204 0.8326 0.7537 0.0058 0.3882 -0.1350 14 ARG B CB 4301 C CG . ARG B 16 ? 1.2108 0.8777 0.7990 0.0033 0.3964 -0.1516 14 ARG B CG 4302 C CD . ARG B 16 ? 1.4231 1.0672 0.9496 -0.0166 0.4025 -0.1570 14 ARG B CD 4303 N NE . ARG B 16 ? 1.5244 1.1865 1.0604 -0.0126 0.4340 -0.1562 14 ARG B NE 4304 C CZ . ARG B 16 ? 1.5950 1.2871 1.1403 -0.0203 0.4356 -0.1436 14 ARG B CZ 4305 N NH1 . ARG B 16 ? 1.6554 1.3605 1.2004 -0.0318 0.4075 -0.1312 14 ARG B NH1 4306 N NH2 . ARG B 16 ? 1.6321 1.3411 1.1876 -0.0168 0.4657 -0.1430 14 ARG B NH2 4307 N N . GLY B 17 ? 1.0853 0.7804 0.7729 0.0340 0.3581 -0.1389 15 GLY B N 4308 C CA . GLY B 17 ? 1.0619 0.7385 0.7406 0.0314 0.3323 -0.1400 15 GLY B CA 4309 C C . GLY B 17 ? 1.1966 0.8282 0.8183 0.0175 0.3269 -0.1529 15 GLY B C 4310 O O . GLY B 17 ? 1.2434 0.8563 0.8267 0.0080 0.3411 -0.1611 15 GLY B O 4311 N N . MET B 18 ? 1.2115 0.8261 0.8278 0.0153 0.3060 -0.1544 16 MET B N 4312 C CA . MET B 18 ? 1.2692 0.8436 0.8359 0.0008 0.2981 -0.1655 16 MET B CA 4313 C C . MET B 18 ? 1.2298 0.7846 0.8118 0.0121 0.2978 -0.1708 16 MET B C 4314 O O . MET B 18 ? 1.2745 0.8475 0.8989 0.0252 0.2897 -0.1626 16 MET B O 4315 C CB . MET B 18 ? 1.2645 0.8377 0.8005 -0.0207 0.2665 -0.1600 16 MET B CB 4316 C CG . MET B 18 ? 1.1668 0.7657 0.7364 -0.0172 0.2428 -0.1480 16 MET B CG 4317 S SD . MET B 18 ? 1.4386 1.0388 0.9762 -0.0412 0.2070 -0.1407 16 MET B SD 4318 C CE . MET B 18 ? 1.4594 1.0180 0.9506 -0.0561 0.2007 -0.1527 16 MET B CE 4319 N N . ASN B 19 ? 1.2418 0.7583 0.7883 0.0067 0.3069 -0.1843 17 ASN B N 4320 C CA . ASN B 19 ? 1.2837 0.7761 0.8385 0.0147 0.3060 -0.1901 17 ASN B CA 4321 C C . ASN B 19 ? 1.2117 0.6906 0.7434 -0.0028 0.2755 -0.1889 17 ASN B C 4322 O O . ASN B 19 ? 1.2455 0.7083 0.7319 -0.0237 0.2642 -0.1934 17 ASN B O 4323 C CB . ASN B 19 ? 1.5098 0.9654 1.0396 0.0186 0.3324 -0.2062 17 ASN B CB 4324 C CG . ASN B 19 ? 1.7305 1.1991 1.3039 0.0443 0.3620 -0.2061 17 ASN B CG 4325 O OD1 . ASN B 19 ? 1.5367 1.0449 1.1537 0.0563 0.3648 -0.1941 17 ASN B OD1 4326 N ND2 . ASN B 19 ? 2.1348 1.5708 1.6990 0.0533 0.3836 -0.2191 17 ASN B ND2 4327 N N . LEU B 20 ? 1.1762 0.6642 0.7414 0.0057 0.2618 -0.1816 18 LEU B N 4328 C CA . LEU B 20 ? 1.1031 0.5795 0.6535 -0.0089 0.2351 -0.1802 18 LEU B CA 4329 C C . LEU B 20 ? 1.1987 0.6397 0.7451 -0.0042 0.2421 -0.1896 18 LEU B C 4330 O O . LEU B 20 ? 1.2095 0.6475 0.7866 0.0164 0.2600 -0.1902 18 LEU B O 4331 C CB . LEU B 20 ? 0.9426 0.4514 0.5308 -0.0039 0.2149 -0.1655 18 LEU B CB 4332 C CG . LEU B 20 ? 1.0043 0.5483 0.6011 -0.0076 0.2052 -0.1553 18 LEU B CG 4333 C CD1 . LEU B 20 ? 0.8610 0.4283 0.4869 -0.0056 0.1827 -0.1434 18 LEU B CD1 4334 C CD2 . LEU B 20 ? 1.0636 0.6011 0.6154 -0.0297 0.1952 -0.1579 18 LEU B CD2 4335 N N . THR B 21 ? 1.1067 0.5215 0.6172 -0.0233 0.2275 -0.1961 19 THR B N 4336 C CA . THR B 21 ? 1.2395 0.6201 0.7460 -0.0213 0.2306 -0.2042 19 THR B CA 4337 C C . THR B 21 ? 1.1910 0.5834 0.7228 -0.0232 0.2070 -0.1935 19 THR B C 4338 O O . THR B 21 ? 1.0823 0.4818 0.5986 -0.0420 0.1833 -0.1896 19 THR B O 4339 C CB . THR B 21 ? 1.3554 0.6990 0.8076 -0.0429 0.2273 -0.2177 19 THR B CB 4340 O OG1 . THR B 21 ? 1.4236 0.7829 0.8565 -0.0645 0.2003 -0.2111 19 THR B OG1 4341 C CG2 . THR B 21 ? 1.2368 0.5613 0.6587 -0.0412 0.2536 -0.2304 19 THR B CG2 4342 N N . VAL B 22 ? 1.2609 0.6560 0.8323 -0.0038 0.2134 -0.1880 20 VAL B N 4343 C CA . VAL B 22 ? 1.1856 0.5906 0.7821 -0.0044 0.1931 -0.1771 20 VAL B CA 4344 C C . VAL B 22 ? 1.2497 0.6214 0.8535 0.0017 0.1976 -0.1808 20 VAL B C 4345 O O . VAL B 22 ? 1.2653 0.6304 0.8951 0.0232 0.2153 -0.1801 20 VAL B O 4346 C CB . VAL B 22 ? 1.0016 0.4459 0.6441 0.0126 0.1906 -0.1619 20 VAL B CB 4347 C CG1 . VAL B 22 ? 0.8835 0.3370 0.5457 0.0093 0.1691 -0.1507 20 VAL B CG1 4348 C CG2 . VAL B 22 ? 0.9666 0.4422 0.6047 0.0081 0.1878 -0.1581 20 VAL B CG2 4349 N N . PHE B 23 ? 1.1597 0.5122 0.7431 -0.0171 0.1808 -0.1835 21 PHE B N 4350 C CA . PHE B 23 ? 1.2705 0.5895 0.8587 -0.0149 0.1820 -0.1863 21 PHE B CA 4351 C C . PHE B 23 ? 1.4621 0.7415 1.0343 -0.0055 0.2067 -0.2012 21 PHE B C 4352 O O . PHE B 23 ? 1.5360 0.7956 1.1298 0.0102 0.2167 -0.2002 21 PHE B O 4353 C CB . PHE B 23 ? 1.2240 0.5594 0.8595 0.0025 0.1780 -0.1705 21 PHE B CB 4354 C CG . PHE B 23 ? 1.1976 0.5690 0.8496 -0.0054 0.1556 -0.1563 21 PHE B CG 4355 C CD1 . PHE B 23 ? 1.2972 0.6774 0.9244 -0.0292 0.1370 -0.1578 21 PHE B CD1 4356 C CD2 . PHE B 23 ? 1.0539 0.4502 0.7466 0.0114 0.1528 -0.1408 21 PHE B CD2 4357 C CE1 . PHE B 23 ? 1.2415 0.6546 0.8853 -0.0353 0.1177 -0.1451 21 PHE B CE1 4358 C CE2 . PHE B 23 ? 1.1546 0.5813 0.8601 0.0042 0.1338 -0.1287 21 PHE B CE2 4359 C CZ . PHE B 23 ? 1.1764 0.6112 0.8578 -0.0188 0.1170 -0.1314 21 PHE B CZ 4360 N N . GLY B 24 ? 1.4663 0.7331 1.0003 -0.0148 0.2168 -0.2144 22 GLY B N 4361 C CA . GLY B 24 ? 1.5702 0.7975 1.0838 -0.0074 0.2417 -0.2305 22 GLY B CA 4362 C C . GLY B 24 ? 1.5547 0.7975 1.0947 0.0180 0.2670 -0.2292 22 GLY B C 4363 O O . GLY B 24 ? 1.5655 0.7853 1.0845 0.0229 0.2902 -0.2428 22 GLY B O 4364 N N . GLY B 25 ? 1.3987 0.6813 0.9854 0.0339 0.2627 -0.2126 23 GLY B N 4365 C CA . GLY B 25 ? 1.2990 0.6045 0.9173 0.0572 0.2838 -0.2087 23 GLY B CA 4366 C C . GLY B 25 ? 1.3211 0.6598 0.9294 0.0494 0.2826 -0.2063 23 GLY B C 4367 O O . GLY B 25 ? 1.3577 0.6946 0.9283 0.0264 0.2683 -0.2101 23 GLY B O 4368 N N . THR B 26 ? 1.2581 0.6279 0.9022 0.0686 0.2968 -0.1988 24 THR B N 4369 C CA . THR B 26 ? 1.2370 0.6385 0.8761 0.0630 0.2980 -0.1957 24 THR B CA 4370 C C . THR B 26 ? 1.2149 0.6631 0.9052 0.0770 0.2902 -0.1778 24 THR B C 4371 O O . THR B 26 ? 1.2752 0.7335 1.0097 0.0983 0.2962 -0.1695 24 THR B O 4372 C CB . THR B 26 ? 1.2016 0.5941 0.8274 0.0699 0.3284 -0.2070 24 THR B CB 4373 O OG1 . THR B 26 ? 1.3167 0.6638 0.8889 0.0548 0.3348 -0.2246 24 THR B OG1 4374 C CG2 . THR B 26 ? 1.1119 0.5381 0.7348 0.0641 0.3303 -0.2023 24 THR B CG2 4375 N N . VAL B 27 ? 1.1438 0.6196 0.8274 0.0647 0.2752 -0.1713 25 VAL B N 4376 C CA . VAL B 27 ? 1.0423 0.5622 0.7693 0.0763 0.2703 -0.1563 25 VAL B CA 4377 C C . VAL B 27 ? 1.0589 0.5983 0.7728 0.0700 0.2797 -0.1580 25 VAL B C 4378 O O . VAL B 27 ? 1.1078 0.6324 0.7758 0.0501 0.2752 -0.1659 25 VAL B O 4379 C CB . VAL B 27 ? 0.9394 0.4744 0.6727 0.0672 0.2411 -0.1456 25 VAL B CB 4380 C CG1 . VAL B 27 ? 0.8623 0.4413 0.6344 0.0771 0.2360 -0.1315 25 VAL B CG1 4381 C CG2 . VAL B 27 ? 0.8726 0.3885 0.6189 0.0725 0.2322 -0.1425 25 VAL B CG2 4382 N N . THR B 28 ? 0.9593 0.5322 0.7141 0.0862 0.2922 -0.1496 26 THR B N 4383 C CA . THR B 28 ? 1.0332 0.6276 0.7798 0.0800 0.3011 -0.1493 26 THR B CA 4384 C C . THR B 28 ? 1.0084 0.6373 0.7711 0.0747 0.2806 -0.1366 26 THR B C 4385 O O . THR B 28 ? 0.9683 0.6232 0.7762 0.0885 0.2739 -0.1248 26 THR B O 4386 C CB . THR B 28 ? 1.0994 0.7119 0.8813 0.0991 0.3295 -0.1483 26 THR B CB 4387 O OG1 . THR B 28 ? 1.2151 0.7954 0.9908 0.1087 0.3482 -0.1592 26 THR B OG1 4388 C CG2 . THR B 28 ? 1.0807 0.7053 0.8417 0.0887 0.3421 -0.1513 26 THR B CG2 4389 N N . ALA B 29 ? 0.9942 0.6227 0.7195 0.0546 0.2700 -0.1385 27 ALA B N 4390 C CA . ALA B 29 ? 0.9449 0.6024 0.6814 0.0488 0.2508 -0.1276 27 ALA B CA 4391 C C . ALA B 29 ? 0.9574 0.6389 0.6931 0.0442 0.2609 -0.1242 27 ALA B C 4392 O O . ALA B 29 ? 0.9700 0.6382 0.6731 0.0348 0.2739 -0.1315 27 ALA B O 4393 C CB . ALA B 29 ? 0.8090 0.4515 0.5109 0.0294 0.2228 -0.1283 27 ALA B CB 4394 N N . PHE B 30 ? 0.8648 0.5814 0.6366 0.0507 0.2550 -0.1126 28 PHE B N 4395 C CA . PHE B 30 ? 0.9150 0.6579 0.6907 0.0452 0.2623 -0.1070 28 PHE B CA 4396 C C . PHE B 30 ? 0.8526 0.6088 0.6225 0.0344 0.2377 -0.0992 28 PHE B C 4397 O O . PHE B 30 ? 0.8350 0.6160 0.6440 0.0449 0.2311 -0.0904 28 PHE B O 4398 C CB . PHE B 30 ? 0.9082 0.6875 0.7432 0.0646 0.2811 -0.0987 28 PHE B CB 4399 C CG . PHE B 30 ? 0.8637 0.6343 0.7102 0.0772 0.3066 -0.1051 28 PHE B CG 4400 C CD1 . PHE B 30 ? 0.9001 0.6723 0.7325 0.0724 0.3289 -0.1095 28 PHE B CD1 4401 C CD2 . PHE B 30 ? 0.8733 0.6338 0.7447 0.0940 0.3088 -0.1061 28 PHE B CD2 4402 C CE1 . PHE B 30 ? 0.9515 0.7150 0.7941 0.0849 0.3541 -0.1164 28 PHE B CE1 4403 C CE2 . PHE B 30 ? 0.8956 0.6468 0.7779 0.1064 0.3325 -0.1122 28 PHE B CE2 4404 C CZ . PHE B 30 ? 1.0128 0.7656 0.8809 0.1023 0.3560 -0.1180 28 PHE B CZ 4405 N N . LEU B 31 ? 0.9130 0.6530 0.6356 0.0139 0.2231 -0.1017 29 LEU B N 4406 C CA . LEU B 31 ? 0.8496 0.5984 0.5633 0.0029 0.1971 -0.0946 29 LEU B CA 4407 C C . LEU B 31 ? 0.8137 0.5843 0.5253 -0.0060 0.1994 -0.0863 29 LEU B C 4408 O O . LEU B 31 ? 0.8190 0.5840 0.5057 -0.0160 0.2099 -0.0874 29 LEU B O 4409 C CB . LEU B 31 ? 0.8604 0.5828 0.5312 -0.0142 0.1741 -0.0985 29 LEU B CB 4410 C CG . LEU B 31 ? 0.7928 0.4895 0.4564 -0.0117 0.1718 -0.1067 29 LEU B CG 4411 C CD1 . LEU B 31 ? 0.8384 0.5194 0.4681 -0.0302 0.1464 -0.1071 29 LEU B CD1 4412 C CD2 . LEU B 31 ? 0.7866 0.4918 0.4896 0.0050 0.1697 -0.1040 29 LEU B CD2 4413 N N . GLY B 32 ? 0.8062 0.6062 0.5514 -0.0033 0.1836 -0.0746 30 GLY B N 4414 C CA . GLY B 32 ? 0.8061 0.6295 0.5572 -0.0139 0.1767 -0.0629 30 GLY B CA 4415 C C . GLY B 32 ? 0.8246 0.6722 0.6045 -0.0086 0.2041 -0.0589 30 GLY B C 4416 O O . GLY B 32 ? 0.8151 0.6583 0.5681 -0.0207 0.2176 -0.0581 30 GLY B O 4417 N N . ILE B 33 ? 0.7639 0.6380 0.5991 0.0092 0.2125 -0.0551 31 ILE B N 4418 C CA . ILE B 33 ? 0.7711 0.6796 0.6487 0.0144 0.2332 -0.0474 31 ILE B CA 4419 C C . ILE B 33 ? 0.7695 0.7123 0.6802 0.0067 0.2086 -0.0318 31 ILE B C 4420 O O . ILE B 33 ? 0.7654 0.7184 0.6976 0.0110 0.1826 -0.0268 31 ILE B O 4421 C CB . ILE B 33 ? 0.7300 0.6551 0.6584 0.0376 0.2505 -0.0480 31 ILE B CB 4422 C CG1 . ILE B 33 ? 0.7886 0.6727 0.6840 0.0468 0.2715 -0.0649 31 ILE B CG1 4423 C CG2 . ILE B 33 ? 0.5602 0.5244 0.5360 0.0426 0.2739 -0.0396 31 ILE B CG2 4424 C CD1 . ILE B 33 ? 0.7629 0.6558 0.7056 0.0700 0.2765 -0.0637 31 ILE B CD1 4425 N N . PRO B 34 ? 0.6944 0.6525 0.6064 -0.0058 0.2172 -0.0245 32 PRO B N 4426 C CA . PRO B 34 ? 0.6623 0.6493 0.6062 -0.0136 0.1936 -0.0109 32 PRO B CA 4427 C C . PRO B 34 ? 0.6579 0.6863 0.6701 0.0004 0.1941 -0.0030 32 PRO B C 4428 O O . PRO B 34 ? 0.6831 0.7269 0.7234 0.0118 0.2211 -0.0040 32 PRO B O 4429 C CB . PRO B 34 ? 0.6318 0.6212 0.5583 -0.0312 0.2063 -0.0048 32 PRO B CB 4430 C CG . PRO B 34 ? 0.6730 0.6524 0.5827 -0.0271 0.2445 -0.0133 32 PRO B CG 4431 C CD . PRO B 34 ? 0.7541 0.7013 0.6353 -0.0151 0.2469 -0.0281 32 PRO B CD 4432 N N . TYR B 35 ? 0.5571 0.6025 0.5947 -0.0001 0.1647 0.0045 33 TYR B N 4433 C CA . TYR B 35 ? 0.5071 0.5926 0.6070 0.0106 0.1598 0.0136 33 TYR B CA 4434 C C . TYR B 35 ? 0.5088 0.6230 0.6365 -0.0034 0.1409 0.0252 33 TYR B C 4435 O O . TYR B 35 ? 0.5443 0.6957 0.7245 0.0015 0.1359 0.0343 33 TYR B O 4436 C CB . TYR B 35 ? 0.5055 0.5859 0.6145 0.0260 0.1434 0.0114 33 TYR B CB 4437 C CG . TYR B 35 ? 0.4601 0.5278 0.5478 0.0187 0.1110 0.0115 33 TYR B CG 4438 C CD1 . TYR B 35 ? 0.5314 0.6245 0.6479 0.0142 0.0879 0.0205 33 TYR B CD1 4439 C CD2 . TYR B 35 ? 0.4521 0.4830 0.4921 0.0165 0.1042 0.0023 33 TYR B CD2 4440 C CE1 . TYR B 35 ? 0.5871 0.6673 0.6833 0.0089 0.0617 0.0192 33 TYR B CE1 4441 C CE2 . TYR B 35 ? 0.5095 0.5318 0.5349 0.0116 0.0776 0.0026 33 TYR B CE2 4442 C CZ . TYR B 35 ? 0.5717 0.6178 0.6245 0.0085 0.0577 0.0105 33 TYR B CZ 4443 O OH . TYR B 35 ? 0.5452 0.5816 0.5824 0.0044 0.0342 0.0095 33 TYR B OH 4444 N N . ALA B 36 ? 0.5083 0.6037 0.6005 -0.0210 0.1291 0.0254 34 ALA B N 4445 C CA . ALA B 36 ? 0.5593 0.6739 0.6708 -0.0371 0.1147 0.0352 34 ALA B CA 4446 C C . ALA B 36 ? 0.5719 0.6645 0.6442 -0.0552 0.1218 0.0364 34 ALA B C 4447 O O . ALA B 36 ? 0.6123 0.6744 0.6391 -0.0554 0.1333 0.0295 34 ALA B O 4448 C CB . ALA B 36 ? 0.5338 0.6455 0.6458 -0.0386 0.0817 0.0358 34 ALA B CB 4449 N N . GLN B 37 ? 0.5769 0.6835 0.6654 -0.0715 0.1140 0.0459 35 GLN B N 4450 C CA . GLN B 37 ? 0.6460 0.7290 0.6971 -0.0899 0.1158 0.0498 35 GLN B CA 4451 C C . GLN B 37 ? 0.5976 0.6446 0.6070 -0.0922 0.0903 0.0456 35 GLN B C 4452 O O . GLN B 37 ? 0.6577 0.7065 0.6789 -0.0864 0.0675 0.0430 35 GLN B O 4453 C CB . GLN B 37 ? 0.6834 0.7891 0.7661 -0.1074 0.1121 0.0617 35 GLN B CB 4454 C CG . GLN B 37 ? 0.7873 0.9351 0.9198 -0.1071 0.1358 0.0682 35 GLN B CG 4455 C CD . GLN B 37 ? 0.8267 0.9924 0.9833 -0.1291 0.1336 0.0807 35 GLN B CD 4456 O OE1 . GLN B 37 ? 0.8937 1.0329 1.0151 -0.1458 0.1322 0.0850 35 GLN B OE1 4457 N NE2 . GLN B 37 ? 0.7891 0.9994 1.0067 -0.1303 0.1314 0.0877 35 GLN B NE2 4458 N N . PRO B 38 ? 0.5193 0.5343 0.4797 -0.1006 0.0946 0.0456 36 PRO B N 4459 C CA . PRO B 38 ? 0.5957 0.5785 0.5199 -0.1024 0.0708 0.0435 36 PRO B CA 4460 C C . PRO B 38 ? 0.6430 0.6267 0.5841 -0.1104 0.0469 0.0492 36 PRO B C 4461 O O . PRO B 38 ? 0.7025 0.6882 0.6497 -0.1257 0.0486 0.0585 36 PRO B O 4462 C CB . PRO B 38 ? 0.5964 0.5517 0.4721 -0.1142 0.0813 0.0474 36 PRO B CB 4463 C CG . PRO B 38 ? 0.5445 0.5113 0.4200 -0.1116 0.1137 0.0442 36 PRO B CG 4464 C CD . PRO B 38 ? 0.4559 0.4634 0.3908 -0.1070 0.1230 0.0469 36 PRO B CD 4465 N N . PRO B 39 ? 0.6025 0.5829 0.5497 -0.1008 0.0258 0.0431 37 PRO B N 4466 C CA . PRO B 39 ? 0.6287 0.6077 0.5906 -0.1069 0.0041 0.0454 37 PRO B CA 4467 C C . PRO B 39 ? 0.6784 0.6244 0.6100 -0.1173 -0.0080 0.0506 37 PRO B C 4468 O O . PRO B 39 ? 0.6481 0.5769 0.5704 -0.1118 -0.0263 0.0465 37 PRO B O 4469 C CB . PRO B 39 ? 0.5691 0.5509 0.5379 -0.0918 -0.0102 0.0361 37 PRO B CB 4470 C CG . PRO B 39 ? 0.5561 0.5255 0.4988 -0.0808 -0.0019 0.0304 37 PRO B CG 4471 C CD . PRO B 39 ? 0.5541 0.5308 0.4936 -0.0844 0.0229 0.0333 37 PRO B CD 4472 N N . LEU B 40 ? 0.6236 0.5613 0.5417 -0.1317 0.0031 0.0603 38 LEU B N 4473 C CA . LEU B 40 ? 0.7020 0.6061 0.5889 -0.1413 -0.0072 0.0682 38 LEU B CA 4474 C C . LEU B 40 ? 0.7445 0.6446 0.6464 -0.1580 -0.0129 0.0772 38 LEU B C 4475 O O . LEU B 40 ? 0.7814 0.7077 0.7146 -0.1665 -0.0037 0.0798 38 LEU B O 4476 C CB . LEU B 40 ? 0.7332 0.6234 0.5829 -0.1474 0.0083 0.0744 38 LEU B CB 4477 C CG . LEU B 40 ? 0.8698 0.7627 0.7005 -0.1358 0.0201 0.0656 38 LEU B CG 4478 C CD1 . LEU B 40 ? 0.8619 0.7364 0.6491 -0.1462 0.0347 0.0721 38 LEU B CD1 4479 C CD2 . LEU B 40 ? 0.9050 0.7860 0.7267 -0.1220 0.0009 0.0574 38 LEU B CD2 4480 N N . GLY B 41 ? 0.6878 0.5548 0.5688 -0.1632 -0.0282 0.0830 39 GLY B N 4481 C CA . GLY B 41 ? 0.5757 0.4293 0.4641 -0.1806 -0.0338 0.0926 39 GLY B CA 4482 C C . GLY B 41 ? 0.6547 0.5237 0.5796 -0.1838 -0.0436 0.0859 39 GLY B C 4483 O O . GLY B 41 ? 0.5990 0.4624 0.5288 -0.1724 -0.0591 0.0752 39 GLY B O 4484 N N . ARG B 42 ? 0.7621 0.6517 0.7123 -0.2003 -0.0345 0.0924 40 ARG B N 4485 C CA . ARG B 42 ? 0.7451 0.6528 0.7307 -0.2069 -0.0451 0.0872 40 ARG B CA 4486 C C . ARG B 42 ? 0.7600 0.6996 0.7669 -0.1900 -0.0466 0.0752 40 ARG B C 4487 O O . ARG B 42 ? 0.8471 0.7964 0.8743 -0.1909 -0.0610 0.0682 40 ARG B O 4488 C CB . ARG B 42 ? 0.8314 0.7607 0.8440 -0.2295 -0.0338 0.0986 40 ARG B CB 4489 C CG . ARG B 42 ? 0.9809 0.9597 1.0253 -0.2264 -0.0134 0.1000 40 ARG B CG 4490 C CD . ARG B 42 ? 1.0575 1.0527 1.1159 -0.2465 0.0077 0.1148 40 ARG B CD 4491 N NE . ARG B 42 ? 1.1122 1.1603 1.2165 -0.2449 0.0241 0.1160 40 ARG B NE 4492 C CZ . ARG B 42 ? 1.1671 1.2364 1.2727 -0.2322 0.0486 0.1153 40 ARG B CZ 4493 N NH1 . ARG B 42 ? 1.1479 1.1896 1.2073 -0.2221 0.0586 0.1128 40 ARG B NH1 4494 N NH2 . ARG B 42 ? 1.1546 1.2726 1.3084 -0.2297 0.0628 0.1172 40 ARG B NH2 4495 N N . LEU B 43 ? 0.7168 0.6694 0.7157 -0.1754 -0.0325 0.0730 41 LEU B N 4496 C CA . LEU B 43 ? 0.6511 0.6332 0.6706 -0.1593 -0.0314 0.0640 41 LEU B CA 4497 C C . LEU B 43 ? 0.6070 0.5724 0.6080 -0.1416 -0.0456 0.0526 41 LEU B C 4498 O O . LEU B 43 ? 0.5291 0.5147 0.5448 -0.1290 -0.0472 0.0458 41 LEU B O 4499 C CB . LEU B 43 ? 0.6970 0.7026 0.7221 -0.1527 -0.0064 0.0666 41 LEU B CB 4500 C CG . LEU B 43 ? 0.7079 0.7471 0.7675 -0.1652 0.0118 0.0761 41 LEU B CG 4501 C CD1 . LEU B 43 ? 0.6513 0.7111 0.7158 -0.1534 0.0380 0.0751 41 LEU B CD1 4502 C CD2 . LEU B 43 ? 0.6097 0.6803 0.7153 -0.1713 -0.0008 0.0768 41 LEU B CD2 4503 N N . ARG B 44 ? 0.6931 0.6225 0.6641 -0.1403 -0.0555 0.0517 42 ARG B N 4504 C CA . ARG B 44 ? 0.6053 0.5214 0.5631 -0.1243 -0.0678 0.0416 42 ARG B CA 4505 C C . ARG B 44 ? 0.6671 0.5883 0.6418 -0.1244 -0.0827 0.0335 42 ARG B C 4506 O O . ARG B 44 ? 0.7206 0.6339 0.7031 -0.1388 -0.0904 0.0354 42 ARG B O 4507 C CB . ARG B 44 ? 0.5750 0.4543 0.5029 -0.1227 -0.0751 0.0442 42 ARG B CB 4508 C CG . ARG B 44 ? 0.4737 0.3403 0.3930 -0.1072 -0.0872 0.0348 42 ARG B CG 4509 C CD . ARG B 44 ? 0.4827 0.3138 0.3823 -0.1069 -0.0971 0.0392 42 ARG B CD 4510 N NE . ARG B 44 ? 0.5140 0.3359 0.3914 -0.1050 -0.0928 0.0476 42 ARG B NE 4511 C CZ . ARG B 44 ? 0.6341 0.4281 0.4943 -0.1039 -0.1020 0.0549 42 ARG B CZ 4512 N NH1 . ARG B 44 ? 0.6446 0.4152 0.5091 -0.1029 -0.1136 0.0543 42 ARG B NH1 4513 N NH2 . ARG B 44 ? 0.6464 0.4343 0.4842 -0.1038 -0.1000 0.0631 42 ARG B NH2 4514 N N . PHE B 45 ? 0.6723 0.6053 0.6502 -0.1099 -0.0865 0.0246 43 PHE B N 4515 C CA . PHE B 45 ? 0.5793 0.5185 0.5673 -0.1085 -0.1001 0.0161 43 PHE B CA 4516 C C . PHE B 45 ? 0.5449 0.5196 0.5640 -0.1155 -0.1006 0.0189 43 PHE B C 4517 O O . PHE B 45 ? 0.5416 0.5262 0.5671 -0.1129 -0.1118 0.0128 43 PHE B O 4518 C CB . PHE B 45 ? 0.5457 0.4530 0.5209 -0.1160 -0.1137 0.0111 43 PHE B CB 4519 C CG . PHE B 45 ? 0.5567 0.4319 0.5076 -0.1059 -0.1154 0.0086 43 PHE B CG 4520 C CD1 . PHE B 45 ? 0.5770 0.4550 0.5189 -0.0886 -0.1130 0.0039 43 PHE B CD1 4521 C CD2 . PHE B 45 ? 0.5113 0.3542 0.4509 -0.1139 -0.1197 0.0124 43 PHE B CD2 4522 C CE1 . PHE B 45 ? 0.5812 0.4343 0.5064 -0.0794 -0.1155 0.0031 43 PHE B CE1 4523 C CE2 . PHE B 45 ? 0.4356 0.2511 0.3577 -0.1031 -0.1224 0.0122 43 PHE B CE2 4524 C CZ . PHE B 45 ? 0.5151 0.3376 0.4316 -0.0858 -0.1206 0.0076 43 PHE B CZ 4525 N N . LYS B 46 ? 0.5958 0.5902 0.6343 -0.1247 -0.0886 0.0287 44 LYS B N 4526 C CA . LYS B 46 ? 0.4805 0.5146 0.5564 -0.1302 -0.0876 0.0337 44 LYS B CA 4527 C C . LYS B 46 ? 0.4160 0.4771 0.5062 -0.1128 -0.0775 0.0342 44 LYS B C 4528 O O . LYS B 46 ? 0.4367 0.4863 0.5078 -0.0998 -0.0664 0.0317 44 LYS B O 4529 C CB . LYS B 46 ? 0.5046 0.5516 0.5999 -0.1466 -0.0757 0.0449 44 LYS B CB 4530 C CG . LYS B 46 ? 0.6616 0.6945 0.7590 -0.1684 -0.0881 0.0470 44 LYS B CG 4531 C CD . LYS B 46 ? 0.6993 0.7618 0.8312 -0.1855 -0.0775 0.0593 44 LYS B CD 4532 C CE . LYS B 46 ? 0.8199 0.8614 0.9493 -0.2094 -0.0879 0.0625 44 LYS B CE 4533 N NZ . LYS B 46 ? 0.8853 0.8770 0.9725 -0.2084 -0.0878 0.0606 44 LYS B NZ 4534 N N . LYS B 47 ? 0.4277 0.5238 0.5522 -0.1132 -0.0823 0.0380 45 LYS B N 4535 C CA . LYS B 47 ? 0.4181 0.5411 0.5631 -0.0967 -0.0721 0.0408 45 LYS B CA 4536 C C . LYS B 47 ? 0.4464 0.5778 0.5999 -0.0933 -0.0459 0.0463 45 LYS B C 4537 O O . LYS B 47 ? 0.5115 0.6427 0.6689 -0.1074 -0.0371 0.0516 45 LYS B O 4538 C CB . LYS B 47 ? 0.3778 0.5389 0.5627 -0.0996 -0.0847 0.0470 45 LYS B CB 4539 C CG . LYS B 47 ? 0.4156 0.5667 0.5861 -0.1048 -0.1106 0.0407 45 LYS B CG 4540 C CD . LYS B 47 ? 0.4557 0.6405 0.6546 -0.0995 -0.1233 0.0464 45 LYS B CD 4541 C CE . LYS B 47 ? 0.4488 0.6763 0.6987 -0.1103 -0.1240 0.0588 45 LYS B CE 4542 N NZ . LYS B 47 ? 0.4799 0.7389 0.7559 -0.1044 -0.1398 0.0655 45 LYS B NZ 4543 N N . PRO B 48 ? 0.5000 0.6357 0.6532 -0.0755 -0.0322 0.0447 46 PRO B N 4544 C CA . PRO B 48 ? 0.4666 0.6039 0.6195 -0.0716 -0.0051 0.0469 46 PRO B CA 4545 C C . PRO B 48 ? 0.5500 0.7256 0.7489 -0.0780 0.0087 0.0570 46 PRO B C 4546 O O . PRO B 48 ? 0.4617 0.6718 0.7027 -0.0731 0.0026 0.0626 46 PRO B O 4547 C CB . PRO B 48 ? 0.3853 0.5194 0.5325 -0.0508 0.0029 0.0419 46 PRO B CB 4548 C CG . PRO B 48 ? 0.4469 0.5957 0.6120 -0.0442 -0.0178 0.0427 46 PRO B CG 4549 C CD . PRO B 48 ? 0.5136 0.6501 0.6641 -0.0589 -0.0403 0.0405 46 PRO B CD 4550 N N . GLN B 49 ? 0.5475 0.7183 0.7392 -0.0891 0.0269 0.0606 47 GLN B N 4551 C CA . GLN B 49 ? 0.5564 0.7640 0.7917 -0.0965 0.0440 0.0706 47 GLN B CA 4552 C C . GLN B 49 ? 0.5406 0.7606 0.7877 -0.0792 0.0729 0.0696 47 GLN B C 4553 O O . GLN B 49 ? 0.4792 0.6686 0.6852 -0.0719 0.0868 0.0618 47 GLN B O 4554 C CB . GLN B 49 ? 0.6361 0.8312 0.8561 -0.1180 0.0520 0.0759 47 GLN B CB 4555 C CG . GLN B 49 ? 0.6624 0.8451 0.8766 -0.1363 0.0255 0.0776 47 GLN B CG 4556 C CD . GLN B 49 ? 0.7655 0.9842 1.0270 -0.1408 0.0064 0.0819 47 GLN B CD 4557 O OE1 . GLN B 49 ? 0.8191 1.0800 1.1299 -0.1458 0.0159 0.0915 47 GLN B OE1 4558 N NE2 . GLN B 49 ? 0.7051 0.9087 0.9522 -0.1392 -0.0206 0.0751 47 GLN B NE2 4559 N N . SER B 50 ? 0.6795 0.9438 0.9833 -0.0727 0.0813 0.0773 48 SER B N 4560 C CA . SER B 50 ? 0.6646 0.9434 0.9880 -0.0546 0.1117 0.0767 48 SER B CA 4561 C C . SER B 50 ? 0.6506 0.9120 0.9447 -0.0615 0.1434 0.0741 48 SER B C 4562 O O . SER B 50 ? 0.5520 0.8093 0.8348 -0.0822 0.1446 0.0792 48 SER B O 4563 C CB . SER B 50 ? 0.6921 1.0272 1.0903 -0.0487 0.1154 0.0886 48 SER B CB 4564 O OG . SER B 50 ? 0.6606 1.0104 1.0815 -0.0408 0.0861 0.0917 48 SER B OG 4565 N N . LEU B 51 ? 0.7815 1.0295 1.0600 -0.0447 0.1690 0.0662 49 LEU B N 4566 C CA . LEU B 51 ? 0.7897 1.0130 1.0270 -0.0502 0.1988 0.0610 49 LEU B CA 4567 C C . LEU B 51 ? 0.8951 1.1556 1.1760 -0.0508 0.2328 0.0683 49 LEU B C 4568 O O . LEU B 51 ? 0.9120 1.2148 1.2562 -0.0384 0.2377 0.0747 49 LEU B O 4569 C CB . LEU B 51 ? 0.7108 0.8977 0.9059 -0.0332 0.2091 0.0469 49 LEU B CB 4570 C CG . LEU B 51 ? 0.7111 0.8592 0.8450 -0.0380 0.2332 0.0374 49 LEU B CG 4571 C CD1 . LEU B 51 ? 0.6702 0.7924 0.7572 -0.0608 0.2183 0.0408 49 LEU B CD1 4572 C CD2 . LEU B 51 ? 0.7298 0.8437 0.8291 -0.0216 0.2330 0.0234 49 LEU B CD2 4573 N N . THR B 52 ? 0.9529 1.1993 1.2017 -0.0652 0.2564 0.0687 50 THR B N 4574 C CA . THR B 52 ? 1.0442 1.3236 1.3293 -0.0657 0.2948 0.0745 50 THR B CA 4575 C C . THR B 52 ? 1.1263 1.3741 1.3621 -0.0552 0.3267 0.0608 50 THR B C 4576 O O . THR B 52 ? 1.2383 1.4387 1.4084 -0.0583 0.3265 0.0511 50 THR B O 4577 C CB . THR B 52 ? 0.7250 1.0224 1.0210 -0.0932 0.2964 0.0882 50 THR B CB 4578 O OG1 . THR B 52 ? 0.6113 0.9356 0.9283 -0.0907 0.3222 0.0893 50 THR B OG1 4579 C CG2 . THR B 52 ? 0.7864 1.0340 1.0064 -0.1129 0.2903 0.0863 50 THR B CG2 4580 N N . LYS B 53 ? 1.0927 1.3651 1.3573 -0.0434 0.3492 0.0591 51 LYS B N 4581 C CA . LYS B 53 ? 1.1237 1.3684 1.3485 -0.0302 0.3765 0.0446 51 LYS B CA 4582 C C . LYS B 53 ? 1.2407 1.4390 1.3839 -0.0467 0.3851 0.0386 51 LYS B C 4583 O O . LYS B 53 ? 1.3141 1.5107 1.4395 -0.0696 0.3774 0.0488 51 LYS B O 4584 C CB . LYS B 53 ? 1.1246 1.4085 1.3977 -0.0212 0.4002 0.0474 51 LYS B CB 4585 C CG . LYS B 53 ? 1.1477 1.4095 1.3991 -0.0014 0.4272 0.0321 51 LYS B CG 4586 C CD . LYS B 53 ? 1.1865 1.4312 1.3900 -0.0138 0.4535 0.0281 51 LYS B CD 4587 C CE . LYS B 53 ? 1.2224 1.4463 1.4083 0.0055 0.4810 0.0124 51 LYS B CE 4588 N NZ . LYS B 53 ? 1.2167 1.3913 1.3582 0.0174 0.4718 -0.0029 51 LYS B NZ 4589 N N . TRP B 54 ? 1.2684 1.4271 1.3612 -0.0358 0.3981 0.0225 52 TRP B N 4590 C CA . TRP B 54 ? 1.2383 1.3536 1.2528 -0.0505 0.4043 0.0165 52 TRP B CA 4591 C C . TRP B 54 ? 1.2556 1.3604 1.2496 -0.0418 0.4350 0.0054 52 TRP B C 4592 O O . TRP B 54 ? 1.1896 1.2965 1.2062 -0.0205 0.4476 -0.0049 52 TRP B O 4593 C CB . TRP B 54 ? 1.1838 1.2508 1.1395 -0.0531 0.3825 0.0073 52 TRP B CB 4594 C CG . TRP B 54 ? 1.1464 1.1917 1.0960 -0.0319 0.3839 -0.0087 52 TRP B CG 4595 C CD1 . TRP B 54 ? 1.1621 1.1783 1.0766 -0.0230 0.4011 -0.0238 52 TRP B CD1 4596 C CD2 . TRP B 54 ? 1.1232 1.1716 1.1011 -0.0182 0.3665 -0.0106 52 TRP B CD2 4597 N NE1 . TRP B 54 ? 1.1191 1.1191 1.0394 -0.0053 0.3950 -0.0346 52 TRP B NE1 4598 C CE2 . TRP B 54 ? 1.0809 1.1009 1.0396 -0.0014 0.3740 -0.0263 52 TRP B CE2 4599 C CE3 . TRP B 54 ? 1.0690 1.1409 1.0866 -0.0191 0.3453 -0.0001 52 TRP B CE3 4600 C CZ2 . TRP B 54 ? 1.0995 1.1138 1.0770 0.0145 0.3607 -0.0308 52 TRP B CZ2 4601 C CZ3 . TRP B 54 ? 0.9933 1.0614 1.0293 -0.0023 0.3329 -0.0050 52 TRP B CZ3 4602 C CH2 . TRP B 54 ? 1.0413 1.0808 1.0570 0.0145 0.3405 -0.0198 52 TRP B CH2 4603 N N . SER B 55 ? 1.3386 1.4301 1.2885 -0.0585 0.4463 0.0081 53 SER B N 4604 C CA . SER B 55 ? 1.3793 1.4660 1.3118 -0.0538 0.4781 -0.0002 53 SER B CA 4605 C C . SER B 55 ? 1.3774 1.4184 1.2623 -0.0410 0.4851 -0.0210 53 SER B C 4606 O O . SER B 55 ? 1.3162 1.3639 1.2298 -0.0210 0.5031 -0.0306 53 SER B O 4607 C CB . SER B 55 ? 1.4249 1.5041 1.3148 -0.0767 0.4855 0.0089 53 SER B CB 4608 O OG . SER B 55 ? 1.4896 1.5640 1.3600 -0.0729 0.5176 0.0007 53 SER B OG 4609 N N . ASP B 56 ? 1.4156 1.4098 1.2294 -0.0532 0.4692 -0.0272 54 ASP B N 4610 C CA . ASP B 56 ? 1.3982 1.3464 1.1606 -0.0464 0.4737 -0.0465 54 ASP B CA 4611 C C . ASP B 56 ? 1.3288 1.2663 1.1106 -0.0293 0.4590 -0.0556 54 ASP B C 4612 O O . ASP B 56 ? 1.2386 1.2100 1.0833 -0.0168 0.4543 -0.0488 54 ASP B O 4613 C CB . ASP B 56 ? 1.4380 1.3429 1.1208 -0.0669 0.4577 -0.0483 54 ASP B CB 4614 C CG . ASP B 56 ? 1.3943 1.2923 1.0675 -0.0778 0.4213 -0.0390 54 ASP B CG 4615 O OD1 . ASP B 56 ? 1.3425 1.2747 1.0664 -0.0769 0.4123 -0.0262 54 ASP B OD1 4616 O OD2 . ASP B 56 ? 1.4137 1.2728 1.0299 -0.0877 0.4010 -0.0444 54 ASP B OD2 4617 N N . ILE B 57 ? 1.3378 1.2286 1.0660 -0.0296 0.4508 -0.0702 55 ILE B N 4618 C CA . ILE B 57 ? 1.2456 1.1212 0.9854 -0.0155 0.4362 -0.0788 55 ILE B CA 4619 C C . ILE B 57 ? 1.1443 0.9992 0.8517 -0.0280 0.4011 -0.0761 55 ILE B C 4620 O O . ILE B 57 ? 1.0588 0.8847 0.7077 -0.0456 0.3888 -0.0775 55 ILE B O 4621 C CB . ILE B 57 ? 1.3110 1.1490 1.0202 -0.0062 0.4512 -0.0975 55 ILE B CB 4622 C CG1 . ILE B 57 ? 1.3730 1.2329 1.1243 0.0113 0.4858 -0.1007 55 ILE B CG1 4623 C CG2 . ILE B 57 ? 1.2770 1.0940 0.9896 0.0040 0.4318 -0.1048 55 ILE B CG2 4624 C CD1 . ILE B 57 ? 1.4291 1.2528 1.1599 0.0236 0.5011 -0.1188 55 ILE B CD1 4625 N N . TRP B 58 ? 1.1209 0.9923 0.8688 -0.0184 0.3845 -0.0713 56 TRP B N 4626 C CA . TRP B 58 ? 1.0559 0.9094 0.7791 -0.0271 0.3524 -0.0697 56 TRP B CA 4627 C C . TRP B 58 ? 1.0774 0.8903 0.7652 -0.0232 0.3439 -0.0847 56 TRP B C 4628 O O . TRP B 58 ? 0.9616 0.7724 0.6752 -0.0056 0.3543 -0.0925 56 TRP B O 4629 C CB . TRP B 58 ? 1.0003 0.8864 0.7797 -0.0179 0.3401 -0.0597 56 TRP B CB 4630 C CG . TRP B 58 ? 0.9728 0.8432 0.7282 -0.0271 0.3088 -0.0574 56 TRP B CG 4631 C CD1 . TRP B 58 ? 0.9615 0.8081 0.7030 -0.0210 0.2920 -0.0660 56 TRP B CD1 4632 C CD2 . TRP B 58 ? 0.9084 0.7852 0.6510 -0.0443 0.2900 -0.0452 56 TRP B CD2 4633 N NE1 . TRP B 58 ? 0.9932 0.8335 0.7150 -0.0328 0.2642 -0.0602 56 TRP B NE1 4634 C CE2 . TRP B 58 ? 0.8877 0.7449 0.6091 -0.0468 0.2622 -0.0474 56 TRP B CE2 4635 C CE3 . TRP B 58 ? 0.9161 0.8122 0.6638 -0.0585 0.2932 -0.0316 56 TRP B CE3 4636 C CZ2 . TRP B 58 ? 0.9062 0.7626 0.6120 -0.0615 0.2374 -0.0369 56 TRP B CZ2 4637 C CZ3 . TRP B 58 ? 0.8989 0.7911 0.6297 -0.0741 0.2684 -0.0209 56 TRP B CZ3 4638 C CH2 . TRP B 58 ? 0.9137 0.7866 0.6252 -0.0745 0.2396 -0.0236 56 TRP B CH2 4639 N N . ASN B 59 ? 1.1894 0.9710 0.8208 -0.0400 0.3236 -0.0875 57 ASN B N 4640 C CA . ASN B 59 ? 1.2518 0.9972 0.8514 -0.0400 0.3110 -0.0997 57 ASN B CA 4641 C C . ASN B 59 ? 1.1464 0.8961 0.7665 -0.0351 0.2855 -0.0965 57 ASN B C 4642 O O . ASN B 59 ? 1.1253 0.8762 0.7315 -0.0470 0.2602 -0.0886 57 ASN B O 4643 C CB . ASN B 59 ? 1.4499 1.1644 0.9859 -0.0608 0.2973 -0.1022 57 ASN B CB 4644 C CG . ASN B 59 ? 1.6936 1.3867 1.1969 -0.0633 0.3222 -0.1130 57 ASN B CG 4645 O OD1 . ASN B 59 ? 1.6489 1.3527 1.1784 -0.0495 0.3516 -0.1178 57 ASN B OD1 4646 N ND2 . ASN B 59 ? 2.0369 1.7002 1.4834 -0.0809 0.3105 -0.1164 57 ASN B ND2 4647 N N . ALA B 60 ? 1.1115 0.8634 0.7655 -0.0171 0.2920 -0.1019 58 ALA B N 4648 C CA . ALA B 60 ? 1.0104 0.7649 0.6837 -0.0112 0.2696 -0.0994 58 ALA B CA 4649 C C . ALA B 60 ? 0.9538 0.6719 0.5920 -0.0165 0.2549 -0.1095 58 ALA B C 4650 O O . ALA B 60 ? 0.8420 0.5514 0.4983 -0.0040 0.2566 -0.1148 58 ALA B O 4651 C CB . ALA B 60 ? 0.8648 0.6454 0.5995 0.0113 0.2819 -0.0963 58 ALA B CB 4652 N N . THR B 61 ? 0.9319 0.6303 0.5223 -0.0359 0.2393 -0.1103 59 THR B N 4653 C CA . THR B 61 ? 0.9557 0.6212 0.5112 -0.0443 0.2270 -0.1192 59 THR B CA 4654 C C . THR B 61 ? 0.8624 0.5255 0.4037 -0.0573 0.1922 -0.1129 59 THR B C 4655 O O . THR B 61 ? 0.9499 0.5903 0.4648 -0.0667 0.1792 -0.1180 59 THR B O 4656 C CB . THR B 61 ? 1.0416 0.6824 0.5510 -0.0561 0.2402 -0.1270 59 THR B CB 4657 O OG1 . THR B 61 ? 1.0693 0.7226 0.5632 -0.0676 0.2387 -0.1181 59 THR B OG1 4658 C CG2 . THR B 61 ? 0.9592 0.5936 0.4801 -0.0417 0.2744 -0.1371 59 THR B CG2 4659 N N . LYS B 62 ? 0.8495 0.5369 0.4097 -0.0582 0.1771 -0.1014 60 LYS B N 4660 C CA . LYS B 62 ? 0.8424 0.5312 0.3984 -0.0672 0.1444 -0.0949 60 LYS B CA 4661 C C . LYS B 62 ? 0.8059 0.5215 0.3969 -0.0594 0.1348 -0.0858 60 LYS B C 4662 O O . LYS B 62 ? 0.9699 0.7038 0.5773 -0.0544 0.1488 -0.0812 60 LYS B O 4663 C CB . LYS B 62 ? 0.8948 0.5750 0.4141 -0.0861 0.1275 -0.0893 60 LYS B CB 4664 C CG . LYS B 62 ? 0.9742 0.6709 0.4923 -0.0918 0.1263 -0.0780 60 LYS B CG 4665 C CD . LYS B 62 ? 1.0493 0.7315 0.5273 -0.1094 0.1142 -0.0737 60 LYS B CD 4666 C CE . LYS B 62 ? 1.1979 0.8953 0.6779 -0.1166 0.1000 -0.0586 60 LYS B CE 4667 N NZ . LYS B 62 ? 1.2333 0.9448 0.7233 -0.1131 0.1225 -0.0547 60 LYS B NZ 4668 N N . TYR B 63 ? 0.7149 0.4335 0.3182 -0.0585 0.1123 -0.0834 61 TYR B N 4669 C CA . TYR B 63 ? 0.7764 0.5176 0.4080 -0.0525 0.1001 -0.0754 61 TYR B CA 4670 C C . TYR B 63 ? 0.7804 0.5357 0.4063 -0.0609 0.0936 -0.0648 61 TYR B C 4671 O O . TYR B 63 ? 0.8130 0.5605 0.4128 -0.0741 0.0848 -0.0605 61 TYR B O 4672 C CB . TYR B 63 ? 0.6468 0.3887 0.2856 -0.0551 0.0729 -0.0725 61 TYR B CB 4673 C CG . TYR B 63 ? 0.7313 0.4639 0.3841 -0.0458 0.0767 -0.0797 61 TYR B CG 4674 C CD1 . TYR B 63 ? 0.7779 0.5179 0.4596 -0.0292 0.0896 -0.0815 61 TYR B CD1 4675 C CD2 . TYR B 63 ? 0.7131 0.4295 0.3517 -0.0537 0.0665 -0.0832 61 TYR B CD2 4676 C CE1 . TYR B 63 ? 0.7844 0.5141 0.4802 -0.0204 0.0918 -0.0858 61 TYR B CE1 4677 C CE2 . TYR B 63 ? 0.7360 0.4421 0.3866 -0.0467 0.0695 -0.0884 61 TYR B CE2 4678 C CZ . TYR B 63 ? 0.8254 0.5373 0.5042 -0.0299 0.0818 -0.0894 61 TYR B CZ 4679 O OH . TYR B 63 ? 0.8784 0.5781 0.5697 -0.0226 0.0843 -0.0927 61 TYR B OH 4680 N N . ALA B 64 ? 0.7155 0.4952 0.3746 -0.0527 0.0953 -0.0580 62 ALA B N 4681 C CA . ALA B 64 ? 0.7480 0.5446 0.4132 -0.0601 0.0873 -0.0454 62 ALA B CA 4682 C C . ALA B 64 ? 0.7763 0.5773 0.4434 -0.0659 0.0551 -0.0365 62 ALA B C 4683 O O . ALA B 64 ? 0.7200 0.5134 0.3832 -0.0655 0.0389 -0.0396 62 ALA B O 4684 C CB . ALA B 64 ? 0.6533 0.4818 0.3689 -0.0493 0.0987 -0.0389 62 ALA B CB 4685 N N . ASN B 65 ? 0.7096 0.5224 0.3842 -0.0715 0.0473 -0.0250 63 ASN B N 4686 C CA . ASN B 65 ? 0.6977 0.5153 0.3801 -0.0743 0.0197 -0.0161 63 ASN B CA 4687 C C . ASN B 65 ? 0.6260 0.4630 0.3513 -0.0611 0.0102 -0.0170 63 ASN B C 4688 O O . ASN B 65 ? 0.5354 0.3899 0.2925 -0.0516 0.0218 -0.0181 63 ASN B O 4689 C CB . ASN B 65 ? 0.7854 0.6097 0.4718 -0.0815 0.0162 -0.0038 63 ASN B CB 4690 C CG . ASN B 65 ? 0.8331 0.6369 0.4724 -0.0966 0.0235 0.0001 63 ASN B CG 4691 O OD1 . ASN B 65 ? 0.7869 0.5735 0.3968 -0.1028 0.0145 -0.0019 63 ASN B OD1 4692 N ND2 . ASN B 65 ? 0.7851 0.5955 0.4279 -0.1019 0.0389 0.0065 63 ASN B ND2 4693 N N . SER B 66 ? 0.6376 0.4728 0.3642 -0.0606 -0.0109 -0.0158 64 SER B N 4694 C CA . SER B 66 ? 0.5801 0.4339 0.3443 -0.0497 -0.0208 -0.0147 64 SER B CA 4695 C C . SER B 66 ? 0.6195 0.4848 0.4022 -0.0503 -0.0306 -0.0059 64 SER B C 4696 O O . SER B 66 ? 0.6034 0.4591 0.3685 -0.0592 -0.0368 0.0010 64 SER B O 4697 C CB . SER B 66 ? 0.4579 0.3074 0.2195 -0.0488 -0.0366 -0.0169 64 SER B CB 4698 O OG . SER B 66 ? 0.6236 0.4589 0.3671 -0.0502 -0.0278 -0.0256 64 SER B OG 4699 N N . CYS B 67 ? 0.5910 0.4742 0.4066 -0.0414 -0.0321 -0.0060 65 CYS B N 4700 C CA . CYS B 67 ? 0.5622 0.4541 0.3962 -0.0417 -0.0415 -0.0003 65 CYS B CA 4701 C C . CYS B 67 ? 0.6538 0.5384 0.4848 -0.0415 -0.0604 0.0027 65 CYS B C 4702 O O . CYS B 67 ? 0.5318 0.4154 0.3617 -0.0371 -0.0674 -0.0004 65 CYS B O 4703 C CB . CYS B 67 ? 0.5491 0.4608 0.4148 -0.0332 -0.0394 -0.0025 65 CYS B CB 4704 S SG . CYS B 67 ? 0.7000 0.6275 0.5825 -0.0318 -0.0187 -0.0024 65 CYS B SG 4705 N N . CYS B 68 ? 0.6064 0.4859 0.4386 -0.0461 -0.0677 0.0092 66 CYS B N 4706 C CA . CYS B 68 ? 0.5049 0.3758 0.3374 -0.0445 -0.0843 0.0133 66 CYS B CA 4707 C C . CYS B 68 ? 0.5026 0.3838 0.3555 -0.0334 -0.0905 0.0074 66 CYS B C 4708 O O . CYS B 68 ? 0.5213 0.4138 0.3913 -0.0286 -0.0865 0.0026 66 CYS B O 4709 C CB . CYS B 68 ? 0.5470 0.4094 0.3827 -0.0498 -0.0887 0.0203 66 CYS B CB 4710 S SG . CYS B 68 ? 0.7611 0.6058 0.5668 -0.0643 -0.0858 0.0316 66 CYS B SG 4711 N N . GLN B 69 ? 0.3939 0.2722 0.2450 -0.0301 -0.1006 0.0086 67 GLN B N 4712 C CA . GLN B 69 ? 0.4522 0.3430 0.3251 -0.0197 -0.1012 0.0034 67 GLN B CA 4713 C C . GLN B 69 ? 0.4894 0.3808 0.3699 -0.0166 -0.1088 0.0075 67 GLN B C 4714 O O . GLN B 69 ? 0.5210 0.4070 0.3904 -0.0228 -0.1120 0.0129 67 GLN B O 4715 C CB . GLN B 69 ? 0.3540 0.2548 0.2277 -0.0177 -0.0922 -0.0026 67 GLN B CB 4716 C CG . GLN B 69 ? 0.4730 0.3690 0.3311 -0.0237 -0.0891 -0.0020 67 GLN B CG 4717 C CD . GLN B 69 ? 0.5238 0.4219 0.3777 -0.0224 -0.0805 -0.0085 67 GLN B CD 4718 O OE1 . GLN B 69 ? 0.5328 0.4369 0.3955 -0.0193 -0.0807 -0.0105 67 GLN B OE1 4719 N NE2 . GLN B 69 ? 0.4372 0.3326 0.2842 -0.0238 -0.0698 -0.0106 67 GLN B NE2 4720 N N . ASN B 70 ? 0.4223 0.3207 0.3210 -0.0075 -0.1122 0.0047 68 ASN B N 4721 C CA . ASN B 70 ? 0.4409 0.3454 0.3516 -0.0037 -0.1190 0.0080 68 ASN B CA 4722 C C . ASN B 70 ? 0.4249 0.3401 0.3346 -0.0076 -0.1150 0.0068 68 ASN B C 4723 O O . ASN B 70 ? 0.5431 0.4628 0.4495 -0.0081 -0.1065 0.0012 68 ASN B O 4724 C CB . ASN B 70 ? 0.4723 0.3814 0.4017 0.0081 -0.1228 0.0043 68 ASN B CB 4725 C CG . ASN B 70 ? 0.4867 0.3796 0.4175 0.0125 -0.1314 0.0070 68 ASN B CG 4726 O OD1 . ASN B 70 ? 0.6380 0.5238 0.5720 0.0125 -0.1395 0.0155 68 ASN B OD1 4727 N ND2 . ASN B 70 ? 0.4707 0.3579 0.4011 0.0150 -0.1258 -0.0004 68 ASN B ND2 4728 N N . ILE B 71 ? 0.6041 0.5221 0.5165 -0.0109 -0.1227 0.0127 69 ILE B N 4729 C CA . ILE B 71 ? 0.5570 0.4825 0.4672 -0.0168 -0.1220 0.0120 69 ILE B CA 4730 C C . ILE B 71 ? 0.5517 0.4946 0.4869 -0.0106 -0.1270 0.0125 69 ILE B C 4731 O O . ILE B 71 ? 0.5472 0.4960 0.5010 -0.0031 -0.1343 0.0169 69 ILE B O 4732 C CB . ILE B 71 ? 0.6402 0.5586 0.5361 -0.0266 -0.1292 0.0185 69 ILE B CB 4733 C CG1 . ILE B 71 ? 0.6041 0.5051 0.4743 -0.0328 -0.1247 0.0191 69 ILE B CG1 4734 C CG2 . ILE B 71 ? 0.6623 0.5850 0.5530 -0.0344 -0.1299 0.0167 69 ILE B CG2 4735 C CD1 . ILE B 71 ? 0.6705 0.5674 0.5284 -0.0341 -0.1117 0.0111 69 ILE B CD1 4736 N N . ASP B 72 ? 0.5203 0.4709 0.4570 -0.0134 -0.1229 0.0085 70 ASP B N 4737 C CA . ASP B 72 ? 0.4573 0.4264 0.4181 -0.0101 -0.1280 0.0101 70 ASP B CA 4738 C C . ASP B 72 ? 0.5167 0.4937 0.4844 -0.0178 -0.1385 0.0172 70 ASP B C 4739 O O . ASP B 72 ? 0.5155 0.4873 0.4685 -0.0292 -0.1389 0.0162 70 ASP B O 4740 C CB . ASP B 72 ? 0.4107 0.3834 0.3698 -0.0116 -0.1211 0.0041 70 ASP B CB 4741 C CG . ASP B 72 ? 0.5083 0.5021 0.4936 -0.0106 -0.1266 0.0067 70 ASP B CG 4742 O OD1 . ASP B 72 ? 0.5809 0.5903 0.5910 -0.0067 -0.1346 0.0130 70 ASP B OD1 4743 O OD2 . ASP B 72 ? 0.5639 0.5599 0.5482 -0.0128 -0.1180 0.0032 70 ASP B OD2 4744 N N . GLN B 73 ? 0.3091 0.2978 0.3000 -0.0111 -0.1473 0.0242 71 GLN B N 4745 C CA . GLN B 73 ? 0.2752 0.2744 0.2768 -0.0174 -0.1590 0.0326 71 GLN B CA 4746 C C . GLN B 73 ? 0.3735 0.4007 0.4161 -0.0097 -0.1638 0.0374 71 GLN B C 4747 O O . GLN B 73 ? 0.4046 0.4443 0.4664 -0.0090 -0.1740 0.0463 71 GLN B O 4748 C CB . GLN B 73 ? 0.3024 0.2890 0.2925 -0.0185 -0.1667 0.0396 71 GLN B CB 4749 C CG . GLN B 73 ? 0.4428 0.4050 0.3954 -0.0268 -0.1607 0.0354 71 GLN B CG 4750 C CD . GLN B 73 ? 0.6568 0.6059 0.5961 -0.0298 -0.1685 0.0433 71 GLN B CD 4751 O OE1 . GLN B 73 ? 0.7604 0.7072 0.7108 -0.0211 -0.1717 0.0479 71 GLN B OE1 4752 N NE2 . GLN B 73 ? 0.8191 0.7574 0.7327 -0.0426 -0.1719 0.0448 71 GLN B NE2 4753 N N . SER B 74 ? 0.3679 0.4063 0.4253 -0.0040 -0.1560 0.0321 72 SER B N 4754 C CA . SER B 74 ? 0.4280 0.4969 0.5280 0.0024 -0.1569 0.0362 72 SER B CA 4755 C C . SER B 74 ? 0.4654 0.5515 0.5779 -0.0113 -0.1648 0.0420 72 SER B C 4756 O O . SER B 74 ? 0.4038 0.5170 0.5548 -0.0069 -0.1689 0.0495 72 SER B O 4757 C CB . SER B 74 ? 0.4168 0.4919 0.5246 0.0089 -0.1440 0.0286 72 SER B CB 4758 O OG . SER B 74 ? 0.5691 0.6235 0.6563 0.0188 -0.1337 0.0207 72 SER B OG 4759 N N . PHE B 75 ? 0.3798 0.4498 0.4612 -0.0273 -0.1660 0.0383 73 PHE B N 4760 C CA . PHE B 75 ? 0.4648 0.5456 0.5530 -0.0424 -0.1746 0.0425 73 PHE B CA 4761 C C . PHE B 75 ? 0.4641 0.5204 0.5148 -0.0553 -0.1816 0.0419 73 PHE B C 4762 O O . PHE B 75 ? 0.5053 0.5415 0.5260 -0.0661 -0.1770 0.0349 73 PHE B O 4763 C CB . PHE B 75 ? 0.4506 0.5382 0.5443 -0.0517 -0.1684 0.0385 73 PHE B CB 4764 C CG . PHE B 75 ? 0.3343 0.4422 0.4582 -0.0399 -0.1586 0.0382 73 PHE B CG 4765 C CD1 . PHE B 75 ? 0.2528 0.3971 0.4264 -0.0333 -0.1576 0.0456 73 PHE B CD1 4766 C CD2 . PHE B 75 ? 0.2911 0.3802 0.3917 -0.0334 -0.1447 0.0295 73 PHE B CD2 4767 C CE1 . PHE B 75 ? 0.2485 0.4059 0.4416 -0.0198 -0.1376 0.0424 73 PHE B CE1 4768 C CE2 . PHE B 75 ? 0.3305 0.4308 0.4469 -0.0204 -0.1253 0.0263 73 PHE B CE2 4769 C CZ . PHE B 75 ? 0.2422 0.3748 0.4017 -0.0138 -0.1208 0.0320 73 PHE B CZ 4770 N N . PRO B 76 ? 0.5376 0.5947 0.5899 -0.0536 -0.1921 0.0495 74 PRO B N 4771 C CA . PRO B 76 ? 0.6018 0.6371 0.6191 -0.0656 -0.1996 0.0503 74 PRO B CA 4772 C C . PRO B 76 ? 0.6232 0.6555 0.6284 -0.0836 -0.2050 0.0484 74 PRO B C 4773 O O . PRO B 76 ? 0.7021 0.7575 0.7357 -0.0888 -0.2142 0.0543 74 PRO B O 4774 C CB . PRO B 76 ? 0.5382 0.5848 0.5731 -0.0608 -0.2134 0.0622 74 PRO B CB 4775 C CG . PRO B 76 ? 0.5581 0.6188 0.6240 -0.0419 -0.2076 0.0641 74 PRO B CG 4776 C CD . PRO B 76 ? 0.5509 0.6263 0.6364 -0.0385 -0.1964 0.0576 74 PRO B CD 4777 N N . GLY B 77 ? 0.6423 0.6463 0.6072 -0.0927 -0.1988 0.0402 75 GLY B N 4778 C CA . GLY B 77 ? 0.7279 0.7219 0.6746 -0.1102 -0.2035 0.0371 75 GLY B CA 4779 C C . GLY B 77 ? 0.6748 0.6694 0.6274 -0.1149 -0.1947 0.0300 75 GLY B C 4780 O O . GLY B 77 ? 0.6702 0.6561 0.6106 -0.1300 -0.1985 0.0272 75 GLY B O 4781 N N . PHE B 78 ? 0.5471 0.5505 0.5172 -0.1030 -0.1838 0.0275 76 PHE B N 4782 C CA . PHE B 78 ? 0.4650 0.4698 0.4428 -0.1073 -0.1758 0.0227 76 PHE B CA 4783 C C . PHE B 78 ? 0.5004 0.4751 0.4448 -0.1055 -0.1615 0.0123 76 PHE B C 4784 O O . PHE B 78 ? 0.4886 0.4585 0.4276 -0.0925 -0.1533 0.0099 76 PHE B O 4785 C CB . PHE B 78 ? 0.4554 0.4915 0.4760 -0.0970 -0.1736 0.0278 76 PHE B CB 4786 C CG . PHE B 78 ? 0.5097 0.5468 0.5373 -0.1018 -0.1645 0.0241 76 PHE B CG 4787 C CD1 . PHE B 78 ? 0.5250 0.5605 0.5541 -0.1191 -0.1669 0.0242 76 PHE B CD1 4788 C CD2 . PHE B 78 ? 0.4791 0.5174 0.5107 -0.0902 -0.1543 0.0214 76 PHE B CD2 4789 C CE1 . PHE B 78 ? 0.4620 0.4958 0.4971 -0.1255 -0.1579 0.0224 76 PHE B CE1 4790 C CE2 . PHE B 78 ? 0.5139 0.5514 0.5499 -0.0942 -0.1437 0.0196 76 PHE B CE2 4791 C CZ . PHE B 78 ? 0.5175 0.5526 0.5561 -0.1133 -0.1464 0.0207 76 PHE B CZ 4792 N N . HIS B 79 ? 0.5189 0.4732 0.4424 -0.1183 -0.1585 0.0062 77 HIS B N 4793 C CA . HIS B 79 ? 0.5343 0.4573 0.4255 -0.1169 -0.1448 -0.0037 77 HIS B CA 4794 C C . HIS B 79 ? 0.5605 0.4854 0.4615 -0.1063 -0.1341 -0.0059 77 HIS B C 4795 O O . HIS B 79 ? 0.5635 0.4701 0.4448 -0.0981 -0.1232 -0.0118 77 HIS B O 4796 C CB . HIS B 79 ? 0.6035 0.5034 0.4740 -0.1324 -0.1436 -0.0097 77 HIS B CB 4797 C CG . HIS B 79 ? 0.6364 0.5032 0.4765 -0.1295 -0.1281 -0.0199 77 HIS B CG 4798 N ND1 . HIS B 79 ? 0.6146 0.4650 0.4292 -0.1228 -0.1206 -0.0246 77 HIS B ND1 4799 C CD2 . HIS B 79 ? 0.6640 0.5114 0.4977 -0.1318 -0.1180 -0.0256 77 HIS B CD2 4800 C CE1 . HIS B 79 ? 0.6009 0.4253 0.3967 -0.1200 -0.1062 -0.0332 77 HIS B CE1 4801 N NE2 . HIS B 79 ? 0.6944 0.5148 0.5006 -0.1247 -0.1045 -0.0339 77 HIS B NE2 4802 N N . GLY B 80 ? 0.5374 0.4859 0.4697 -0.1068 -0.1374 -0.0005 78 GLY B N 4803 C CA . GLY B 80 ? 0.4092 0.3600 0.3493 -0.0982 -0.1290 -0.0016 78 GLY B CA 4804 C C . GLY B 80 ? 0.4621 0.4190 0.4032 -0.0793 -0.1236 -0.0018 78 GLY B C 4805 O O . GLY B 80 ? 0.4647 0.4121 0.3979 -0.0681 -0.1095 -0.0051 78 GLY B O 4806 N N . SER B 81 ? 0.5999 0.5733 0.5537 -0.0742 -0.1326 0.0030 79 SER B N 4807 C CA . SER B 81 ? 0.4666 0.4408 0.4188 -0.0588 -0.1287 0.0025 79 SER B CA 4808 C C . SER B 81 ? 0.4874 0.4388 0.4097 -0.0586 -0.1241 -0.0014 79 SER B C 4809 O O . SER B 81 ? 0.5203 0.4623 0.4317 -0.0500 -0.1157 -0.0049 79 SER B O 4810 C CB . SER B 81 ? 0.4006 0.4009 0.3837 -0.0500 -0.1363 0.0097 79 SER B CB 4811 O OG . SER B 81 ? 0.5070 0.5190 0.5028 -0.0582 -0.1470 0.0160 79 SER B OG 4812 N N . GLU B 82 ? 0.5431 0.4866 0.4526 -0.0692 -0.1296 -0.0004 80 GLU B N 4813 C CA . GLU B 82 ? 0.6078 0.5330 0.4908 -0.0700 -0.1263 -0.0024 80 GLU B CA 4814 C C . GLU B 82 ? 0.6472 0.5480 0.5033 -0.0710 -0.1131 -0.0110 80 GLU B C 4815 O O . GLU B 82 ? 0.6275 0.5164 0.4659 -0.0684 -0.1068 -0.0130 80 GLU B O 4816 C CB . GLU B 82 ? 0.6194 0.5434 0.4945 -0.0809 -0.1377 0.0021 80 GLU B CB 4817 C CG . GLU B 82 ? 0.6685 0.6149 0.5697 -0.0765 -0.1502 0.0118 80 GLU B CG 4818 C CD . GLU B 82 ? 0.7915 0.7378 0.6857 -0.0874 -0.1638 0.0179 80 GLU B CD 4819 O OE1 . GLU B 82 ? 0.8155 0.7447 0.6840 -0.0999 -0.1644 0.0139 80 GLU B OE1 4820 O OE2 . GLU B 82 ? 0.7500 0.7123 0.6643 -0.0831 -0.1745 0.0268 80 GLU B OE2 4821 N N . MET B 83 ? 0.5379 0.4305 0.3920 -0.0749 -0.1086 -0.0158 81 MET B N 4822 C CA . MET B 83 ? 0.6202 0.4876 0.4511 -0.0744 -0.0953 -0.0240 81 MET B CA 4823 C C . MET B 83 ? 0.6470 0.5147 0.4793 -0.0609 -0.0862 -0.0256 81 MET B C 4824 O O . MET B 83 ? 0.6296 0.4786 0.4447 -0.0581 -0.0747 -0.0317 81 MET B O 4825 C CB . MET B 83 ? 0.6215 0.4765 0.4510 -0.0813 -0.0928 -0.0279 81 MET B CB 4826 C CG . MET B 83 ? 0.5866 0.4551 0.4380 -0.0768 -0.0945 -0.0246 81 MET B CG 4827 S SD . MET B 83 ? 0.6001 0.4554 0.4547 -0.0871 -0.0904 -0.0253 81 MET B SD 4828 C CE . MET B 83 ? 0.4321 0.2582 0.2690 -0.0751 -0.0708 -0.0314 81 MET B CE 4829 N N . TRP B 84 ? 0.6198 0.5085 0.4735 -0.0523 -0.0909 -0.0204 82 TRP B N 4830 C CA . TRP B 84 ? 0.6270 0.5176 0.4830 -0.0406 -0.0842 -0.0214 82 TRP B CA 4831 C C . TRP B 84 ? 0.5885 0.4824 0.4420 -0.0376 -0.0841 -0.0189 82 TRP B C 4832 O O . TRP B 84 ? 0.5001 0.3930 0.3521 -0.0307 -0.0783 -0.0201 82 TRP B O 4833 C CB . TRP B 84 ? 0.4176 0.3272 0.2976 -0.0318 -0.0854 -0.0180 82 TRP B CB 4834 C CG . TRP B 84 ? 0.5170 0.4264 0.4043 -0.0344 -0.0808 -0.0175 82 TRP B CG 4835 C CD1 . TRP B 84 ? 0.5720 0.4940 0.4746 -0.0405 -0.0869 -0.0138 82 TRP B CD1 4836 C CD2 . TRP B 84 ? 0.4556 0.3509 0.3366 -0.0315 -0.0691 -0.0195 82 TRP B CD2 4837 N NE1 . TRP B 84 ? 0.5756 0.4910 0.4794 -0.0431 -0.0792 -0.0134 82 TRP B NE1 4838 C CE2 . TRP B 84 ? 0.5285 0.4259 0.4184 -0.0370 -0.0688 -0.0166 82 TRP B CE2 4839 C CE3 . TRP B 84 ? 0.5743 0.4565 0.4459 -0.0244 -0.0587 -0.0223 82 TRP B CE3 4840 C CZ2 . TRP B 84 ? 0.4577 0.3405 0.3441 -0.0357 -0.0591 -0.0160 82 TRP B CZ2 4841 C CZ3 . TRP B 84 ? 0.5463 0.4164 0.4179 -0.0212 -0.0494 -0.0217 82 TRP B CZ3 4842 C CH2 . TRP B 84 ? 0.4956 0.3642 0.3729 -0.0270 -0.0501 -0.0184 82 TRP B CH2 4843 N N . ASN B 85 ? 0.5040 0.4008 0.3561 -0.0439 -0.0917 -0.0147 83 ASN B N 4844 C CA . ASN B 85 ? 0.5586 0.4547 0.4054 -0.0432 -0.0933 -0.0109 83 ASN B CA 4845 C C . ASN B 85 ? 0.6040 0.4810 0.4231 -0.0480 -0.0838 -0.0154 83 ASN B C 4846 O O . ASN B 85 ? 0.5004 0.3635 0.3034 -0.0537 -0.0783 -0.0211 83 ASN B O 4847 C CB . ASN B 85 ? 0.4536 0.3562 0.3053 -0.0486 -0.1058 -0.0040 83 ASN B CB 4848 C CG . ASN B 85 ? 0.4739 0.3965 0.3550 -0.0424 -0.1141 0.0006 83 ASN B CG 4849 O OD1 . ASN B 85 ? 0.5024 0.4330 0.3979 -0.0327 -0.1108 -0.0004 83 ASN B OD1 4850 N ND2 . ASN B 85 ? 0.4849 0.4159 0.3746 -0.0480 -0.1250 0.0055 83 ASN B ND2 4851 N N . PRO B 86 ? 0.5887 0.4631 0.4012 -0.0462 -0.0811 -0.0134 84 PRO B N 4852 C CA . PRO B 86 ? 0.5581 0.4154 0.3434 -0.0509 -0.0702 -0.0177 84 PRO B CA 4853 C C . PRO B 86 ? 0.6523 0.4956 0.4134 -0.0622 -0.0713 -0.0183 84 PRO B C 4854 O O . PRO B 86 ? 0.6492 0.4974 0.4134 -0.0670 -0.0838 -0.0118 84 PRO B O 4855 C CB . PRO B 86 ? 0.5391 0.3991 0.3245 -0.0496 -0.0718 -0.0121 84 PRO B CB 4856 C CG . PRO B 86 ? 0.5640 0.4408 0.3784 -0.0411 -0.0801 -0.0080 84 PRO B CG 4857 C CD . PRO B 86 ? 0.5170 0.4029 0.3465 -0.0402 -0.0874 -0.0072 84 PRO B CD 4858 N N . ASN B 87 ? 0.6706 0.4956 0.4074 -0.0660 -0.0579 -0.0263 85 ASN B N 4859 C CA . ASN B 87 ? 0.6611 0.4698 0.3712 -0.0772 -0.0575 -0.0287 85 ASN B CA 4860 C C . ASN B 87 ? 0.7394 0.5341 0.4207 -0.0829 -0.0479 -0.0294 85 ASN B C 4861 O O . ASN B 87 ? 0.7887 0.5666 0.4422 -0.0927 -0.0451 -0.0326 85 ASN B O 4862 C CB . ASN B 87 ? 0.6983 0.4923 0.3996 -0.0784 -0.0483 -0.0387 85 ASN B CB 4863 C CG . ASN B 87 ? 0.7537 0.5382 0.4522 -0.0696 -0.0287 -0.0470 85 ASN B CG 4864 O OD1 . ASN B 87 ? 0.7298 0.5260 0.4446 -0.0605 -0.0259 -0.0451 85 ASN B OD1 4865 N ND2 . ASN B 87 ? 0.8081 0.5706 0.4865 -0.0719 -0.0145 -0.0565 85 ASN B ND2 4866 N N . THR B 88 ? 0.6238 0.4244 0.3098 -0.0777 -0.0422 -0.0267 86 THR B N 4867 C CA . THR B 88 ? 0.6199 0.4106 0.2810 -0.0843 -0.0342 -0.0246 86 THR B CA 4868 C C . THR B 88 ? 0.6691 0.4719 0.3432 -0.0838 -0.0470 -0.0127 86 THR B C 4869 O O . THR B 88 ? 0.5145 0.3329 0.2178 -0.0763 -0.0584 -0.0085 86 THR B O 4870 C CB . THR B 88 ? 0.6325 0.4159 0.2835 -0.0799 -0.0100 -0.0329 86 THR B CB 4871 O OG1 . THR B 88 ? 0.5583 0.3566 0.2334 -0.0703 -0.0093 -0.0313 86 THR B OG1 4872 C CG2 . THR B 88 ? 0.5724 0.3418 0.2157 -0.0774 0.0036 -0.0450 86 THR B CG2 4873 N N . ASP B 89 ? 0.7649 0.5589 0.4169 -0.0919 -0.0443 -0.0073 87 ASP B N 4874 C CA . ASP B 89 ? 0.6795 0.4800 0.3412 -0.0927 -0.0569 0.0048 87 ASP B CA 4875 C C . ASP B 89 ? 0.6881 0.5009 0.3734 -0.0840 -0.0555 0.0062 87 ASP B C 4876 O O . ASP B 89 ? 0.7630 0.5768 0.4461 -0.0808 -0.0398 -0.0006 87 ASP B O 4877 C CB . ASP B 89 ? 0.6731 0.4598 0.3038 -0.1040 -0.0513 0.0105 87 ASP B CB 4878 C CG . ASP B 89 ? 0.8791 0.6536 0.4860 -0.1140 -0.0592 0.0123 87 ASP B CG 4879 O OD1 . ASP B 89 ? 0.8776 0.6578 0.4983 -0.1130 -0.0767 0.0156 87 ASP B OD1 4880 O OD2 . ASP B 89 ? 0.9814 0.7412 0.5553 -0.1234 -0.0473 0.0106 87 ASP B OD2 4881 N N . LEU B 90 ? 0.6406 0.4617 0.3481 -0.0800 -0.0715 0.0147 88 LEU B N 4882 C CA . LEU B 90 ? 0.5411 0.3701 0.2672 -0.0742 -0.0730 0.0172 88 LEU B CA 4883 C C . LEU B 90 ? 0.6185 0.4379 0.3251 -0.0834 -0.0668 0.0250 88 LEU B C 4884 O O . LEU B 90 ? 0.6825 0.4908 0.3711 -0.0921 -0.0698 0.0328 88 LEU B O 4885 C CB . LEU B 90 ? 0.5512 0.3893 0.3074 -0.0660 -0.0901 0.0222 88 LEU B CB 4886 C CG . LEU B 90 ? 0.5702 0.4202 0.3466 -0.0585 -0.0945 0.0170 88 LEU B CG 4887 C CD1 . LEU B 90 ? 0.4797 0.3389 0.2844 -0.0501 -0.1073 0.0216 88 LEU B CD1 4888 C CD2 . LEU B 90 ? 0.5516 0.4091 0.3348 -0.0528 -0.0837 0.0068 88 LEU B CD2 4889 N N . SER B 91 ? 0.5142 0.3471 0.2461 -0.0787 -0.0542 0.0224 89 SER B N 4890 C CA . SER B 91 ? 0.5957 0.4275 0.3268 -0.0865 -0.0453 0.0299 89 SER B CA 4891 C C . SER B 91 ? 0.6305 0.4831 0.4014 -0.0795 -0.0386 0.0267 89 SER B C 4892 O O . SER B 91 ? 0.6215 0.4881 0.4125 -0.0695 -0.0350 0.0181 89 SER B O 4893 C CB . SER B 91 ? 0.6019 0.4252 0.3012 -0.0961 -0.0252 0.0289 89 SER B CB 4894 O OG . SER B 91 ? 0.6905 0.5207 0.3988 -0.1023 -0.0105 0.0343 89 SER B OG 4895 N N . GLU B 92 ? 0.5564 0.4100 0.3379 -0.0860 -0.0389 0.0343 90 GLU B N 4896 C CA . GLU B 92 ? 0.5838 0.4578 0.4012 -0.0829 -0.0336 0.0319 90 GLU B CA 4897 C C . GLU B 92 ? 0.6034 0.4929 0.4269 -0.0844 -0.0102 0.0293 90 GLU B C 4898 O O . GLU B 92 ? 0.6045 0.5165 0.4607 -0.0796 -0.0043 0.0267 90 GLU B O 4899 C CB . GLU B 92 ? 0.6113 0.4796 0.4379 -0.0919 -0.0412 0.0407 90 GLU B CB 4900 C CG . GLU B 92 ? 0.5973 0.4478 0.4220 -0.0891 -0.0624 0.0435 90 GLU B CG 4901 C CD . GLU B 92 ? 0.6893 0.5312 0.5251 -0.0982 -0.0679 0.0504 90 GLU B CD 4902 O OE1 . GLU B 92 ? 0.6224 0.4769 0.4844 -0.0972 -0.0694 0.0452 90 GLU B OE1 4903 O OE2 . GLU B 92 ? 0.7153 0.5363 0.5321 -0.1076 -0.0717 0.0616 90 GLU B OE2 4904 N N . ASP B 93 ? 0.6392 0.5166 0.4310 -0.0910 0.0030 0.0305 91 ASP B N 4905 C CA . ASP B 93 ? 0.6874 0.5760 0.4811 -0.0910 0.0291 0.0268 91 ASP B CA 4906 C C . ASP B 93 ? 0.5939 0.4829 0.3859 -0.0786 0.0342 0.0151 91 ASP B C 4907 O O . ASP B 93 ? 0.6203 0.4905 0.3767 -0.0809 0.0409 0.0101 91 ASP B O 4908 C CB . ASP B 93 ? 0.7565 0.6274 0.5100 -0.1046 0.0430 0.0321 91 ASP B CB 4909 C CG . ASP B 93 ? 0.8022 0.6837 0.5567 -0.1039 0.0743 0.0272 91 ASP B CG 4910 O OD1 . ASP B 93 ? 0.6721 0.5758 0.4629 -0.0918 0.0841 0.0208 91 ASP B OD1 4911 O OD2 . ASP B 93 ? 0.9268 0.7938 0.6453 -0.1153 0.0897 0.0303 91 ASP B OD2 4912 N N . CYS B 94 ? 0.5998 0.5083 0.4283 -0.0667 0.0305 0.0110 92 CYS B N 4913 C CA . CYS B 94 ? 0.5858 0.4919 0.4146 -0.0548 0.0300 0.0017 92 CYS B CA 4914 C C . CYS B 94 ? 0.6261 0.5550 0.4920 -0.0424 0.0418 -0.0015 92 CYS B C 4915 O O . CYS B 94 ? 0.5835 0.5099 0.4528 -0.0321 0.0407 -0.0077 92 CYS B O 4916 C CB . CYS B 94 ? 0.5050 0.4055 0.3339 -0.0515 0.0056 0.0014 92 CYS B CB 4917 S SG . CYS B 94 ? 0.6667 0.5880 0.5352 -0.0475 -0.0098 0.0055 92 CYS B SG 4918 N N . LEU B 95 ? 0.6103 0.5617 0.5055 -0.0437 0.0523 0.0040 93 LEU B N 4919 C CA . LEU B 95 ? 0.5539 0.5309 0.4900 -0.0314 0.0607 0.0037 93 LEU B CA 4920 C C . LEU B 95 ? 0.5555 0.5291 0.4881 -0.0236 0.0874 -0.0021 93 LEU B C 4921 O O . LEU B 95 ? 0.5945 0.5823 0.5419 -0.0252 0.1080 0.0008 93 LEU B O 4922 C CB . LEU B 95 ? 0.5533 0.5603 0.5286 -0.0363 0.0585 0.0128 93 LEU B CB 4923 C CG . LEU B 95 ? 0.4606 0.4683 0.4405 -0.0427 0.0321 0.0163 93 LEU B CG 4924 C CD1 . LEU B 95 ? 0.4459 0.4823 0.4647 -0.0488 0.0280 0.0239 93 LEU B CD1 4925 C CD2 . LEU B 95 ? 0.4101 0.4122 0.3882 -0.0320 0.0161 0.0110 93 LEU B CD2 4926 N N . TYR B 96 ? 0.5152 0.4689 0.4288 -0.0155 0.0879 -0.0106 94 TYR B N 4927 C CA . TYR B 96 ? 0.5600 0.5008 0.4626 -0.0079 0.1131 -0.0190 94 TYR B CA 4928 C C . TYR B 96 ? 0.5603 0.4980 0.4779 0.0075 0.1106 -0.0234 94 TYR B C 4929 O O . TYR B 96 ? 0.4723 0.4102 0.3936 0.0090 0.0887 -0.0216 94 TYR B O 4930 C CB . TYR B 96 ? 0.5895 0.4951 0.4349 -0.0191 0.1187 -0.0268 94 TYR B CB 4931 C CG . TYR B 96 ? 0.6561 0.5596 0.4795 -0.0348 0.1234 -0.0213 94 TYR B CG 4932 C CD1 . TYR B 96 ? 0.6723 0.5753 0.4873 -0.0461 0.1000 -0.0132 94 TYR B CD1 4933 C CD2 . TYR B 96 ? 0.6142 0.5145 0.4247 -0.0381 0.1524 -0.0239 94 TYR B CD2 4934 C CE1 . TYR B 96 ? 0.6509 0.5494 0.4456 -0.0606 0.1033 -0.0063 94 TYR B CE1 4935 C CE2 . TYR B 96 ? 0.6376 0.5353 0.4261 -0.0536 0.1571 -0.0172 94 TYR B CE2 4936 C CZ . TYR B 96 ? 0.7253 0.6213 0.5057 -0.0652 0.1313 -0.0076 94 TYR B CZ 4937 O OH . TYR B 96 ? 0.8544 0.7446 0.6117 -0.0813 0.1347 0.0010 94 TYR B OH 4938 N N . LEU B 97 ? 0.6264 0.5592 0.5516 0.0190 0.1345 -0.0291 95 LEU B N 4939 C CA . LEU B 97 ? 0.6094 0.5323 0.5447 0.0335 0.1340 -0.0331 95 LEU B CA 4940 C C . LEU B 97 ? 0.6625 0.5505 0.5670 0.0378 0.1571 -0.0466 95 LEU B C 4941 O O . LEU B 97 ? 0.6934 0.5680 0.5713 0.0315 0.1776 -0.0534 95 LEU B O 4942 C CB . LEU B 97 ? 0.4897 0.4464 0.4825 0.0489 0.1343 -0.0232 95 LEU B CB 4943 C CG . LEU B 97 ? 0.5373 0.5199 0.5657 0.0556 0.1582 -0.0190 95 LEU B CG 4944 C CD1 . LEU B 97 ? 0.6159 0.5813 0.6470 0.0715 0.1866 -0.0273 95 LEU B CD1 4945 C CD2 . LEU B 97 ? 0.4429 0.4687 0.5271 0.0614 0.1447 -0.0046 95 LEU B CD2 4946 N N . ASN B 98 ? 0.6700 0.5410 0.5757 0.0476 0.1538 -0.0505 96 ASN B N 4947 C CA . ASN B 98 ? 0.6196 0.4511 0.4932 0.0506 0.1721 -0.0646 96 ASN B CA 4948 C C . ASN B 98 ? 0.6510 0.4833 0.5613 0.0723 0.1868 -0.0638 96 ASN B C 4949 O O . ASN B 98 ? 0.6348 0.4875 0.5817 0.0818 0.1712 -0.0527 96 ASN B O 4950 C CB . ASN B 98 ? 0.5900 0.3925 0.4246 0.0389 0.1521 -0.0705 96 ASN B CB 4951 C CG . ASN B 98 ? 0.6138 0.4235 0.4258 0.0206 0.1299 -0.0662 96 ASN B CG 4952 O OD1 . ASN B 98 ? 0.5878 0.3889 0.3685 0.0086 0.1366 -0.0698 96 ASN B OD1 4953 N ND2 . ASN B 98 ? 0.5349 0.3589 0.3615 0.0190 0.1043 -0.0582 96 ASN B ND2 4954 N N . VAL B 99 ? 0.6342 0.4432 0.5338 0.0805 0.2170 -0.0752 97 VAL B N 4955 C CA . VAL B 99 ? 0.6864 0.4955 0.6219 0.0998 0.2259 -0.0724 97 VAL B CA 4956 C C . VAL B 99 ? 0.7122 0.4785 0.6115 0.0957 0.2301 -0.0848 97 VAL B C 4957 O O . VAL B 99 ? 0.7767 0.5229 0.6388 0.0846 0.2417 -0.0956 97 VAL B O 4958 C CB . VAL B 99 ? 0.7091 0.5495 0.6887 0.1129 0.2476 -0.0667 97 VAL B CB 4959 C CG1 . VAL B 99 ? 0.6764 0.5193 0.6964 0.1334 0.2517 -0.0611 97 VAL B CG1 4960 C CG2 . VAL B 99 ? 0.6112 0.4979 0.6294 0.1137 0.2435 -0.0536 97 VAL B CG2 4961 N N . TRP B 100 ? 0.6991 0.4515 0.6091 0.1037 0.2202 -0.0822 98 TRP B N 4962 C CA . TRP B 100 ? 0.7958 0.5085 0.6774 0.1007 0.2250 -0.0930 98 TRP B CA 4963 C C . TRP B 100 ? 0.8580 0.5717 0.7776 0.1218 0.2395 -0.0893 98 TRP B C 4964 O O . TRP B 100 ? 0.7842 0.5229 0.7501 0.1373 0.2331 -0.0753 98 TRP B O 4965 C CB . TRP B 100 ? 0.7721 0.4625 0.6302 0.0898 0.2025 -0.0938 98 TRP B CB 4966 C CG . TRP B 100 ? 0.8062 0.4887 0.6207 0.0669 0.1873 -0.0993 98 TRP B CG 4967 C CD1 . TRP B 100 ? 0.7658 0.4218 0.5342 0.0492 0.1868 -0.1105 98 TRP B CD1 4968 C CD2 . TRP B 100 ? 0.7020 0.4039 0.5167 0.0594 0.1682 -0.0925 98 TRP B CD2 4969 N NE1 . TRP B 100 ? 0.7739 0.4352 0.5175 0.0314 0.1672 -0.1093 98 TRP B NE1 4970 C CE2 . TRP B 100 ? 0.7875 0.4754 0.5578 0.0374 0.1561 -0.0991 98 TRP B CE2 4971 C CE3 . TRP B 100 ? 0.6652 0.3951 0.5140 0.0696 0.1595 -0.0807 98 TRP B CE3 4972 C CZ2 . TRP B 100 ? 0.6589 0.3603 0.4191 0.0257 0.1356 -0.0945 98 TRP B CZ2 4973 C CZ3 . TRP B 100 ? 0.5871 0.3351 0.4267 0.0556 0.1361 -0.0752 98 TRP B CZ3 4974 C CH2 . TRP B 100 ? 0.5973 0.3265 0.3911 0.0354 0.1272 -0.0837 98 TRP B CH2 4975 N N . ILE B 101 ? 0.9019 0.5879 0.8012 0.1222 0.2579 -0.1012 99 ILE B N 4976 C CA . ILE B 101 ? 0.9935 0.6787 0.9271 0.1427 0.2751 -0.0993 99 ILE B CA 4977 C C . ILE B 101 ? 0.9831 0.6212 0.8859 0.1408 0.2829 -0.1122 99 ILE B C 4978 O O . ILE B 101 ? 0.9896 0.5991 0.8435 0.1248 0.2883 -0.1265 99 ILE B O 4979 C CB . ILE B 101 ? 1.0632 0.7725 1.0174 0.1507 0.2990 -0.0999 99 ILE B CB 4980 C CG1 . ILE B 101 ? 0.9884 0.7490 0.9889 0.1570 0.2914 -0.0839 99 ILE B CG1 4981 C CG2 . ILE B 101 ? 1.1300 0.8301 1.1091 0.1698 0.3205 -0.1023 99 ILE B CG2 4982 C CD1 . ILE B 101 ? 1.0498 0.8364 1.0677 0.1600 0.3127 -0.0841 99 ILE B CD1 4983 N N . PRO B 102 ? 0.9921 0.6216 0.9230 0.1567 0.2822 -0.1063 100 PRO B N 4984 C CA . PRO B 102 ? 1.0153 0.5997 0.9240 0.1580 0.2914 -0.1177 100 PRO B CA 4985 C C . PRO B 102 ? 1.0375 0.6051 0.9301 0.1612 0.3201 -0.1321 100 PRO B C 4986 O O . PRO B 102 ? 1.0136 0.6097 0.9302 0.1702 0.3358 -0.1293 100 PRO B O 4987 C CB . PRO B 102 ? 0.9777 0.5689 0.9345 0.1799 0.2885 -0.1041 100 PRO B CB 4988 C CG . PRO B 102 ? 0.9404 0.5729 0.9308 0.1827 0.2677 -0.0858 100 PRO B CG 4989 C CD . PRO B 102 ? 0.9364 0.5986 0.9211 0.1732 0.2699 -0.0871 100 PRO B CD 4990 N N . ALA B 103 ? 1.1733 0.6946 1.0247 0.1528 0.3270 -0.1474 101 ALA B N 4991 C CA . ALA B 103 ? 1.2480 0.7453 1.0866 0.1599 0.3559 -0.1615 101 ALA B CA 4992 C C . ALA B 103 ? 1.2888 0.7507 1.1350 0.1724 0.3606 -0.1649 101 ALA B C 4993 O O . ALA B 103 ? 1.3013 0.7357 1.1249 0.1612 0.3437 -0.1669 101 ALA B O 4994 C CB . ALA B 103 ? 1.2695 0.7396 1.0454 0.1370 0.3612 -0.1786 101 ALA B CB 4995 N N . PRO B 104 ? 1.3388 0.8016 1.2190 0.1957 0.3833 -0.1647 102 PRO B N 4996 C CA . PRO B 104 ? 1.3128 0.8113 1.2262 0.2098 0.4043 -0.1612 102 PRO B CA 4997 C C . PRO B 104 ? 1.1675 0.7227 1.1349 0.2189 0.3896 -0.1396 102 PRO B C 4998 O O . PRO B 104 ? 1.1677 0.7321 1.1579 0.2226 0.3672 -0.1260 102 PRO B O 4999 C CB . PRO B 104 ? 1.2952 0.7740 1.2339 0.2336 0.4282 -0.1655 102 PRO B CB 5000 C CG . PRO B 104 ? 1.3291 0.7778 1.2695 0.2372 0.4121 -0.1620 102 PRO B CG 5001 C CD . PRO B 104 ? 1.3590 0.7832 1.2447 0.2092 0.3917 -0.1696 102 PRO B CD 5002 N N . LYS B 105 ? 1.0955 0.6872 1.0815 0.2214 0.4023 -0.1367 103 LYS B N 5003 C CA . LYS B 105 ? 1.1881 0.8355 1.2220 0.2267 0.3891 -0.1175 103 LYS B CA 5004 C C . LYS B 105 ? 1.2441 0.9155 1.3415 0.2507 0.3829 -0.0999 103 LYS B C 5005 O O . LYS B 105 ? 1.2828 0.9516 1.4086 0.2700 0.4027 -0.1007 103 LYS B O 5006 C CB . LYS B 105 ? 1.1929 0.8711 1.2348 0.2250 0.4085 -0.1193 103 LYS B CB 5007 C CG . LYS B 105 ? 1.0911 0.8289 1.1858 0.2302 0.3981 -0.1003 103 LYS B CG 5008 C CD . LYS B 105 ? 1.0740 0.8363 1.1666 0.2236 0.4178 -0.1041 103 LYS B CD 5009 C CE . LYS B 105 ? 0.9976 0.8205 1.1580 0.2357 0.4171 -0.0858 103 LYS B CE 5010 N NZ . LYS B 105 ? 0.9946 0.8395 1.1570 0.2312 0.4409 -0.0898 103 LYS B NZ 5011 N N . PRO B 106 ? 1.2257 0.9205 1.3448 0.2495 0.3547 -0.0835 104 PRO B N 5012 C CA . PRO B 106 ? 1.2341 0.9516 1.4085 0.2693 0.3423 -0.0643 104 PRO B CA 5013 C C . PRO B 106 ? 1.2244 0.9939 1.4590 0.2853 0.3512 -0.0513 104 PRO B C 5014 O O . PRO B 106 ? 1.1732 0.9647 1.4080 0.2796 0.3658 -0.0561 104 PRO B O 5015 C CB . PRO B 106 ? 1.1622 0.8921 1.3322 0.2578 0.3100 -0.0522 104 PRO B CB 5016 C CG . PRO B 106 ? 1.1621 0.9001 1.2982 0.2370 0.3082 -0.0602 104 PRO B CG 5017 C CD . PRO B 106 ? 1.1983 0.8988 1.2879 0.2284 0.3323 -0.0820 104 PRO B CD 5018 N N . LYS B 107 ? 1.2204 1.0102 1.5060 0.3041 0.3413 -0.0339 105 LYS B N 5019 C CA . LYS B 107 ? 1.1817 1.0196 1.5288 0.3209 0.3497 -0.0211 105 LYS B CA 5020 C C . LYS B 107 ? 1.0741 0.9643 1.4613 0.3193 0.3211 0.0012 105 LYS B C 5021 O O . LYS B 107 ? 1.0522 0.9900 1.4786 0.3216 0.3242 0.0097 105 LYS B O 5022 C CB . LYS B 107 ? 1.2759 1.0995 1.6552 0.3455 0.3624 -0.0180 105 LYS B CB 5023 C CG . LYS B 107 ? 1.3413 1.1037 1.6760 0.3466 0.3851 -0.0396 105 LYS B CG 5024 C CD . LYS B 107 ? 1.3937 1.1459 1.6938 0.3357 0.4128 -0.0598 105 LYS B CD 5025 C CE . LYS B 107 ? 1.4569 1.1451 1.7028 0.3320 0.4316 -0.0826 105 LYS B CE 5026 N NZ . LYS B 107 ? 1.5182 1.1875 1.7925 0.3569 0.4514 -0.0843 105 LYS B NZ 5027 N N . ASN B 108 ? 1.0072 0.8885 1.3836 0.3143 0.2931 0.0105 106 ASN B N 5028 C CA . ASN B 108 ? 0.9731 0.8998 1.3802 0.3109 0.2639 0.0307 106 ASN B CA 5029 C C . ASN B 108 ? 0.8614 0.7665 1.2306 0.2967 0.2383 0.0326 106 ASN B C 5030 O O . ASN B 108 ? 0.7510 0.6654 1.1366 0.3010 0.2141 0.0491 106 ASN B O 5031 C CB . ASN B 108 ? 1.0334 0.9898 1.4997 0.3314 0.2551 0.0508 106 ASN B CB 5032 C CG . ASN B 108 ? 1.1340 1.1519 1.6445 0.3286 0.2362 0.0688 106 ASN B CG 5033 O OD1 . ASN B 108 ? 1.0720 1.1191 1.5918 0.3206 0.2460 0.0651 106 ASN B OD1 5034 N ND2 . ASN B 108 ? 1.3577 1.3942 1.8923 0.3335 0.2079 0.0886 106 ASN B ND2 5035 N N . ALA B 109 ? 0.8557 0.7326 1.1732 0.2793 0.2439 0.0159 107 ALA B N 5036 C CA . ALA B 109 ? 0.8281 0.6755 1.1042 0.2658 0.2252 0.0138 107 ALA B CA 5037 C C . ALA B 109 ? 0.8202 0.7010 1.1037 0.2559 0.1975 0.0276 107 ALA B C 5038 O O . ALA B 109 ? 0.7654 0.6839 1.0657 0.2507 0.1961 0.0308 107 ALA B O 5039 C CB . ALA B 109 ? 0.6770 0.4841 0.8959 0.2497 0.2398 -0.0088 107 ALA B CB 5040 N N . THR B 110 ? 0.8076 0.6731 1.0773 0.2526 0.1759 0.0357 108 THR B N 5041 C CA . THR B 110 ? 0.8680 0.7570 1.1345 0.2414 0.1499 0.0465 108 THR B CA 5042 C C . THR B 110 ? 0.7679 0.6516 0.9989 0.2239 0.1543 0.0325 108 THR B C 5043 O O . THR B 110 ? 0.7617 0.6083 0.9544 0.2164 0.1698 0.0148 108 THR B O 5044 C CB . THR B 110 ? 0.9118 0.7779 1.1616 0.2395 0.1291 0.0560 108 THR B CB 5045 O OG1 . THR B 110 ? 0.8100 0.6935 1.0966 0.2542 0.1174 0.0744 108 THR B OG1 5046 C CG2 . THR B 110 ? 0.8214 0.6994 1.0512 0.2241 0.1072 0.0609 108 THR B CG2 5047 N N . VAL B 111 ? 0.6724 0.5928 0.9154 0.2167 0.1400 0.0403 109 VAL B N 5048 C CA . VAL B 111 ? 0.6655 0.5830 0.8779 0.2012 0.1423 0.0291 109 VAL B CA 5049 C C . VAL B 111 ? 0.6386 0.5537 0.8307 0.1910 0.1179 0.0354 109 VAL B C 5050 O O . VAL B 111 ? 0.5886 0.5319 0.8038 0.1932 0.0961 0.0520 109 VAL B O 5051 C CB . VAL B 111 ? 0.6082 0.5684 0.8483 0.1994 0.1480 0.0314 109 VAL B CB 5052 C CG1 . VAL B 111 ? 0.5190 0.4733 0.7255 0.1837 0.1495 0.0208 109 VAL B CG1 5053 C CG2 . VAL B 111 ? 0.6339 0.5975 0.8928 0.2085 0.1746 0.0249 109 VAL B CG2 5054 N N . LEU B 112 ? 0.6486 0.5296 0.7953 0.1788 0.1208 0.0220 110 LEU B N 5055 C CA . LEU B 112 ? 0.6131 0.4923 0.7387 0.1683 0.1006 0.0264 110 LEU B CA 5056 C C . LEU B 112 ? 0.5864 0.4833 0.6923 0.1498 0.0963 0.0172 110 LEU B C 5057 O O . LEU B 112 ? 0.6551 0.5330 0.7354 0.1426 0.1126 0.0017 110 LEU B O 5058 C CB . LEU B 112 ? 0.6744 0.5074 0.7595 0.1603 0.1000 0.0180 110 LEU B CB 5059 C CG . LEU B 112 ? 0.7279 0.5511 0.8217 0.1664 0.0883 0.0308 110 LEU B CG 5060 C CD1 . LEU B 112 ? 0.7101 0.4858 0.7697 0.1588 0.0957 0.0193 110 LEU B CD1 5061 C CD2 . LEU B 112 ? 0.7670 0.6097 0.8613 0.1617 0.0644 0.0457 110 LEU B CD2 5062 N N . ILE B 113 ? 0.5184 0.4495 0.6343 0.1419 0.0745 0.0268 111 ILE B N 5063 C CA . ILE B 113 ? 0.4620 0.4080 0.5608 0.1248 0.0688 0.0196 111 ILE B CA 5064 C C . ILE B 113 ? 0.4498 0.3869 0.5154 0.1094 0.0489 0.0174 111 ILE B C 5065 O O . ILE B 113 ? 0.4944 0.4452 0.5672 0.1095 0.0304 0.0279 111 ILE B O 5066 C CB . ILE B 113 ? 0.4304 0.4219 0.5669 0.1258 0.0614 0.0300 111 ILE B CB 5067 C CG1 . ILE B 113 ? 0.4590 0.4653 0.6370 0.1425 0.0818 0.0343 111 ILE B CG1 5068 C CG2 . ILE B 113 ? 0.4382 0.4390 0.5557 0.1080 0.0578 0.0223 111 ILE B CG2 5069 C CD1 . ILE B 113 ? 0.3922 0.4453 0.6098 0.1407 0.0765 0.0438 111 ILE B CD1 5070 N N . TRP B 114 ? 0.4517 0.3666 0.4811 0.0964 0.0530 0.0041 112 TRP B N 5071 C CA . TRP B 114 ? 0.5087 0.4163 0.5106 0.0828 0.0364 0.0017 112 TRP B CA 5072 C C . TRP B 114 ? 0.5439 0.4747 0.5434 0.0716 0.0241 0.0016 112 TRP B C 5073 O O . TRP B 114 ? 0.5406 0.4752 0.5364 0.0664 0.0319 -0.0038 112 TRP B O 5074 C CB . TRP B 114 ? 0.4846 0.3562 0.4507 0.0739 0.0439 -0.0110 112 TRP B CB 5075 C CG . TRP B 114 ? 0.5652 0.4332 0.5076 0.0595 0.0281 -0.0135 112 TRP B CG 5076 C CD1 . TRP B 114 ? 0.6121 0.4802 0.5339 0.0464 0.0230 -0.0203 112 TRP B CD1 5077 C CD2 . TRP B 114 ? 0.5259 0.3910 0.4654 0.0576 0.0161 -0.0078 112 TRP B CD2 5078 N NE1 . TRP B 114 ? 0.5197 0.3868 0.4300 0.0378 0.0089 -0.0195 112 TRP B NE1 5079 C CE2 . TRP B 114 ? 0.4334 0.2991 0.3538 0.0439 0.0056 -0.0124 112 TRP B CE2 5080 C CE3 . TRP B 114 ? 0.5840 0.4461 0.5355 0.0660 0.0137 0.0019 112 TRP B CE3 5081 C CZ2 . TRP B 114 ? 0.4948 0.3609 0.4105 0.0388 -0.0049 -0.0087 112 TRP B CZ2 5082 C CZ3 . TRP B 114 ? 0.4874 0.3473 0.4292 0.0593 0.0029 0.0059 112 TRP B CZ3 5083 C CH2 . TRP B 114 ? 0.4253 0.2884 0.3505 0.0460 -0.0052 0.0002 112 TRP B CH2 5084 N N . ILE B 115 ? 0.5204 0.4648 0.5210 0.0680 0.0060 0.0077 113 ILE B N 5085 C CA . ILE B 115 ? 0.4697 0.4285 0.4632 0.0572 -0.0065 0.0062 113 ILE B CA 5086 C C . ILE B 115 ? 0.3843 0.3289 0.3520 0.0485 -0.0152 0.0015 113 ILE B C 5087 O O . ILE B 115 ? 0.4913 0.4366 0.4581 0.0503 -0.0232 0.0062 113 ILE B O 5088 C CB . ILE B 115 ? 0.4459 0.4323 0.4610 0.0595 -0.0203 0.0158 113 ILE B CB 5089 C CG1 . ILE B 115 ? 0.4004 0.4061 0.4492 0.0692 -0.0136 0.0234 113 ILE B CG1 5090 C CG2 . ILE B 115 ? 0.3637 0.3602 0.3705 0.0480 -0.0316 0.0123 113 ILE B CG2 5091 C CD1 . ILE B 115 ? 0.3492 0.3844 0.4201 0.0689 -0.0300 0.0336 113 ILE B CD1 5092 N N . TYR B 116 ? 0.3966 0.3299 0.3446 0.0391 -0.0137 -0.0066 114 TYR B N 5093 C CA . TYR B 116 ? 0.4507 0.3742 0.3798 0.0311 -0.0221 -0.0102 114 TYR B CA 5094 C C . TYR B 116 ? 0.4740 0.4131 0.4067 0.0291 -0.0357 -0.0072 114 TYR B C 5095 O O . TYR B 116 ? 0.4540 0.4087 0.3972 0.0298 -0.0407 -0.0048 114 TYR B O 5096 C CB . TYR B 116 ? 0.5033 0.4131 0.4119 0.0213 -0.0199 -0.0175 114 TYR B CB 5097 C CG . TYR B 116 ? 0.4529 0.3723 0.3620 0.0169 -0.0215 -0.0178 114 TYR B CG 5098 C CD1 . TYR B 116 ? 0.4860 0.4156 0.3966 0.0128 -0.0339 -0.0162 114 TYR B CD1 5099 C CD2 . TYR B 116 ? 0.4897 0.4055 0.3967 0.0164 -0.0089 -0.0198 114 TYR B CD2 5100 C CE1 . TYR B 116 ? 0.4605 0.3948 0.3708 0.0078 -0.0354 -0.0155 114 TYR B CE1 5101 C CE2 . TYR B 116 ? 0.5192 0.4425 0.4258 0.0107 -0.0093 -0.0186 114 TYR B CE2 5102 C CZ . TYR B 116 ? 0.5513 0.4829 0.4594 0.0060 -0.0234 -0.0160 114 TYR B CZ 5103 O OH . TYR B 116 ? 0.5768 0.5125 0.4843 -0.0004 -0.0238 -0.0140 114 TYR B OH 5104 N N . GLY B 117 ? 0.4600 0.3941 0.3837 0.0259 -0.0406 -0.0080 115 GLY B N 5105 C CA . GLY B 117 ? 0.4253 0.3702 0.3488 0.0240 -0.0502 -0.0076 115 GLY B CA 5106 C C . GLY B 117 ? 0.4341 0.3762 0.3500 0.0174 -0.0548 -0.0125 115 GLY B C 5107 O O . GLY B 117 ? 0.4688 0.4019 0.3774 0.0128 -0.0524 -0.0152 115 GLY B O 5108 N N . GLY B 118 ? 0.4664 0.4156 0.3834 0.0172 -0.0610 -0.0131 116 GLY B N 5109 C CA . GLY B 118 ? 0.3839 0.3322 0.2989 0.0134 -0.0665 -0.0160 116 GLY B CA 5110 C C . GLY B 118 ? 0.4014 0.3567 0.3201 0.0162 -0.0716 -0.0177 116 GLY B C 5111 O O . GLY B 118 ? 0.4442 0.3964 0.3630 0.0145 -0.0763 -0.0194 116 GLY B O 5112 N N . GLY B 119 ? 0.3710 0.3331 0.2904 0.0200 -0.0709 -0.0172 117 GLY B N 5113 C CA . GLY B 119 ? 0.3763 0.3415 0.2938 0.0219 -0.0746 -0.0209 117 GLY B CA 5114 C C . GLY B 119 ? 0.5303 0.4938 0.4490 0.0192 -0.0791 -0.0226 117 GLY B C 5115 O O . GLY B 119 ? 0.4994 0.4599 0.4168 0.0189 -0.0812 -0.0269 117 GLY B O 5116 N N . PHE B 120 ? 0.4821 0.4467 0.4046 0.0169 -0.0788 -0.0192 118 PHE B N 5117 C CA . PHE B 120 ? 0.4841 0.4487 0.4104 0.0123 -0.0823 -0.0194 118 PHE B CA 5118 C C . PHE B 120 ? 0.4731 0.4262 0.3960 0.0087 -0.0847 -0.0214 118 PHE B C 5119 O O . PHE B 120 ? 0.4516 0.4014 0.3760 0.0036 -0.0880 -0.0212 118 PHE B O 5120 C CB . PHE B 120 ? 0.4402 0.4109 0.3673 0.0107 -0.0879 -0.0209 118 PHE B CB 5121 C CG . PHE B 120 ? 0.4318 0.4146 0.3620 0.0135 -0.0900 -0.0162 118 PHE B CG 5122 C CD1 . PHE B 120 ? 0.3493 0.3427 0.2943 0.0137 -0.0879 -0.0097 118 PHE B CD1 5123 C CD2 . PHE B 120 ? 0.3057 0.2910 0.2280 0.0155 -0.0894 -0.0165 118 PHE B CD2 5124 C CE1 . PHE B 120 ? 0.2820 0.2871 0.2341 0.0177 -0.0900 -0.0031 118 PHE B CE1 5125 C CE2 . PHE B 120 ? 0.3546 0.3500 0.2784 0.0177 -0.0928 -0.0098 118 PHE B CE2 5126 C CZ . PHE B 120 ? 0.3722 0.3776 0.3118 0.0196 -0.0951 -0.0025 118 PHE B CZ 5127 N N . GLN B 121 ? 0.3415 0.2895 0.2622 0.0105 -0.0830 -0.0215 119 GLN B N 5128 C CA . GLN B 121 ? 0.4480 0.3859 0.3674 0.0082 -0.0866 -0.0207 119 GLN B CA 5129 C C . GLN B 121 ? 0.5714 0.5048 0.4845 0.0041 -0.0856 -0.0168 119 GLN B C 5130 O O . GLN B 121 ? 0.5885 0.5132 0.4973 0.0004 -0.0895 -0.0137 119 GLN B O 5131 C CB . GLN B 121 ? 0.3965 0.3323 0.3193 0.0140 -0.0900 -0.0236 119 GLN B CB 5132 C CG . GLN B 121 ? 0.3961 0.3338 0.3179 0.0190 -0.0899 -0.0302 119 GLN B CG 5133 C CD . GLN B 121 ? 0.5214 0.4543 0.4402 0.0147 -0.0918 -0.0326 119 GLN B CD 5134 O OE1 . GLN B 121 ? 0.6310 0.5507 0.5482 0.0128 -0.0973 -0.0345 119 GLN B OE1 5135 N NE2 . GLN B 121 ? 0.4453 0.3883 0.3637 0.0125 -0.0892 -0.0319 119 GLN B NE2 5136 N N . THR B 122 ? 0.4624 0.3987 0.3719 0.0044 -0.0813 -0.0169 120 THR B N 5137 C CA . THR B 122 ? 0.4823 0.4112 0.3813 -0.0007 -0.0799 -0.0154 120 THR B CA 5138 C C . THR B 122 ? 0.5265 0.4547 0.4221 -0.0008 -0.0697 -0.0164 120 THR B C 5139 O O . THR B 122 ? 0.4693 0.4057 0.3744 0.0039 -0.0654 -0.0163 120 THR B O 5140 C CB . THR B 122 ? 0.4006 0.3325 0.3043 -0.0004 -0.0823 -0.0146 120 THR B CB 5141 O OG1 . THR B 122 ? 0.4486 0.3867 0.3567 0.0039 -0.0797 -0.0167 120 THR B OG1 5142 C CG2 . THR B 122 ? 0.3926 0.3281 0.3074 0.0026 -0.0888 -0.0128 120 THR B CG2 5143 N N . GLY B 123 ? 0.4889 0.4064 0.3706 -0.0060 -0.0663 -0.0172 121 GLY B N 5144 C CA . GLY B 123 ? 0.4979 0.4098 0.3755 -0.0047 -0.0552 -0.0196 121 GLY B CA 5145 C C . GLY B 123 ? 0.5273 0.4290 0.3909 -0.0093 -0.0460 -0.0210 121 GLY B C 5146 O O . GLY B 123 ? 0.5840 0.4873 0.4454 -0.0128 -0.0471 -0.0186 121 GLY B O 5147 N N . THR B 124 ? 0.5326 0.4219 0.3857 -0.0096 -0.0354 -0.0252 122 THR B N 5148 C CA . THR B 124 ? 0.6656 0.5439 0.5040 -0.0126 -0.0219 -0.0282 122 THR B CA 5149 C C . THR B 124 ? 0.6242 0.4901 0.4601 -0.0075 -0.0073 -0.0336 122 THR B C 5150 O O . THR B 124 ? 0.5844 0.4423 0.4191 -0.0067 -0.0104 -0.0355 122 THR B O 5151 C CB . THR B 124 ? 0.6217 0.4845 0.4297 -0.0250 -0.0264 -0.0295 122 THR B CB 5152 O OG1 . THR B 124 ? 0.6555 0.5091 0.4478 -0.0280 -0.0107 -0.0321 122 THR B OG1 5153 C CG2 . THR B 124 ? 0.6325 0.4792 0.4213 -0.0319 -0.0327 -0.0339 122 THR B CG2 5154 N N . SER B 125 ? 0.6038 0.4675 0.4405 -0.0038 0.0096 -0.0357 123 SER B N 5155 C CA . SER B 125 ? 0.5608 0.4128 0.4010 0.0047 0.0258 -0.0403 123 SER B CA 5156 C C . SER B 125 ? 0.5890 0.4087 0.3931 -0.0037 0.0323 -0.0505 123 SER B C 5157 O O . SER B 125 ? 0.5626 0.3643 0.3640 0.0018 0.0438 -0.0561 123 SER B O 5158 C CB . SER B 125 ? 0.5299 0.3935 0.3883 0.0128 0.0435 -0.0389 123 SER B CB 5159 O OG . SER B 125 ? 0.6431 0.4970 0.4771 0.0040 0.0541 -0.0431 123 SER B OG 5160 N N . SER B 126 ? 0.6357 0.4465 0.4111 -0.0175 0.0234 -0.0523 124 SER B N 5161 C CA . SER B 126 ? 0.6919 0.4714 0.4262 -0.0288 0.0285 -0.0622 124 SER B CA 5162 C C . SER B 126 ? 0.6462 0.4142 0.3699 -0.0376 0.0126 -0.0641 124 SER B C 5163 O O . SER B 126 ? 0.7268 0.4834 0.4321 -0.0479 0.0111 -0.0664 124 SER B O 5164 C CB . SER B 126 ? 0.7071 0.4827 0.4125 -0.0409 0.0267 -0.0615 124 SER B CB 5165 O OG . SER B 126 ? 0.6736 0.4685 0.3902 -0.0449 0.0058 -0.0513 124 SER B OG 5166 N N . LEU B 127 ? 0.5234 0.3076 0.2737 -0.0326 0.0004 -0.0579 125 LEU B N 5167 C CA . LEU B 127 ? 0.5411 0.3196 0.2890 -0.0408 -0.0125 -0.0579 125 LEU B CA 5168 C C . LEU B 127 ? 0.6603 0.4131 0.3975 -0.0414 -0.0003 -0.0657 125 LEU B C 5169 O O . LEU B 127 ? 0.5300 0.2689 0.2689 -0.0303 0.0177 -0.0708 125 LEU B O 5170 C CB . LEU B 127 ? 0.5314 0.3324 0.3100 -0.0346 -0.0240 -0.0498 125 LEU B CB 5171 C CG . LEU B 127 ? 0.5216 0.3492 0.3160 -0.0341 -0.0385 -0.0415 125 LEU B CG 5172 C CD1 . LEU B 127 ? 0.3950 0.2408 0.2147 -0.0303 -0.0477 -0.0356 125 LEU B CD1 5173 C CD2 . LEU B 127 ? 0.5100 0.3394 0.2916 -0.0453 -0.0487 -0.0390 125 LEU B CD2 5174 N N . HIS B 128 ? 0.6612 0.4085 0.3901 -0.0537 -0.0098 -0.0658 126 HIS B N 5175 C CA . HIS B 128 ? 0.5624 0.2840 0.2792 -0.0574 -0.0014 -0.0729 126 HIS B CA 5176 C C . HIS B 128 ? 0.6954 0.4081 0.4294 -0.0476 0.0044 -0.0727 126 HIS B C 5177 O O . HIS B 128 ? 0.6305 0.3196 0.3598 -0.0429 0.0188 -0.0786 126 HIS B O 5178 C CB . HIS B 128 ? 0.6731 0.3937 0.3794 -0.0741 -0.0164 -0.0717 126 HIS B CB 5179 C CG . HIS B 128 ? 0.9553 0.6493 0.6499 -0.0800 -0.0108 -0.0787 126 HIS B CG 5180 N ND1 . HIS B 128 ? 1.0192 0.6858 0.6969 -0.0756 0.0078 -0.0883 126 HIS B ND1 5181 C CD2 . HIS B 128 ? 1.0211 0.7114 0.7195 -0.0905 -0.0212 -0.0774 126 HIS B CD2 5182 C CE1 . HIS B 128 ? 1.1105 0.7559 0.7810 -0.0827 0.0081 -0.0928 126 HIS B CE1 5183 N NE2 . HIS B 128 ? 1.0838 0.7430 0.7661 -0.0927 -0.0096 -0.0863 126 HIS B NE2 5184 N N . VAL B 129 ? 0.5741 0.3042 0.3281 -0.0441 -0.0063 -0.0653 127 VAL B N 5185 C CA . VAL B 129 ? 0.6303 0.3581 0.4053 -0.0341 -0.0019 -0.0603 127 VAL B CA 5186 C C . VAL B 129 ? 0.6879 0.4233 0.4827 -0.0141 0.0126 -0.0566 127 VAL B C 5187 O O . VAL B 129 ? 0.6381 0.3764 0.4535 -0.0038 0.0155 -0.0492 127 VAL B O 5188 C CB . VAL B 129 ? 0.5077 0.2646 0.3065 -0.0360 -0.0170 -0.0492 127 VAL B CB 5189 C CG1 . VAL B 129 ? 0.5885 0.3392 0.3763 -0.0550 -0.0301 -0.0511 127 VAL B CG1 5190 C CG2 . VAL B 129 ? 0.4750 0.2656 0.2888 -0.0301 -0.0245 -0.0432 127 VAL B CG2 5191 N N . TYR B 130 ? 0.6328 0.3728 0.4223 -0.0095 0.0210 -0.0604 128 TYR B N 5192 C CA . TYR B 130 ? 0.5882 0.3395 0.4004 0.0082 0.0346 -0.0564 128 TYR B CA 5193 C C . TYR B 130 ? 0.6538 0.3782 0.4490 0.0121 0.0560 -0.0675 128 TYR B C 5194 O O . TYR B 130 ? 0.6220 0.3576 0.4360 0.0257 0.0695 -0.0653 128 TYR B O 5195 C CB . TYR B 130 ? 0.5886 0.3740 0.4163 0.0112 0.0285 -0.0500 128 TYR B CB 5196 C CG . TYR B 130 ? 0.6044 0.4159 0.4462 0.0080 0.0097 -0.0413 128 TYR B CG 5197 C CD1 . TYR B 130 ? 0.4721 0.2856 0.3238 0.0085 0.0019 -0.0358 128 TYR B CD1 5198 C CD2 . TYR B 130 ? 0.5516 0.3841 0.3961 0.0047 0.0012 -0.0386 128 TYR B CD2 5199 C CE1 . TYR B 130 ? 0.5301 0.3670 0.3934 0.0065 -0.0120 -0.0291 128 TYR B CE1 5200 C CE2 . TYR B 130 ? 0.4794 0.3327 0.3361 0.0032 -0.0138 -0.0323 128 TYR B CE2 5201 C CZ . TYR B 130 ? 0.5315 0.3875 0.3972 0.0044 -0.0195 -0.0282 128 TYR B CZ 5202 O OH . TYR B 130 ? 0.5433 0.4192 0.4197 0.0037 -0.0314 -0.0232 128 TYR B OH 5203 N N . ASP B 131 ? 0.7320 0.4238 0.4924 -0.0009 0.0588 -0.0791 129 ASP B N 5204 C CA . ASP B 131 ? 0.7863 0.4606 0.5342 0.0011 0.0776 -0.0877 129 ASP B CA 5205 C C . ASP B 131 ? 0.8082 0.4719 0.5805 0.0200 0.0939 -0.0862 129 ASP B C 5206 O O . ASP B 131 ? 0.8161 0.4644 0.5928 0.0201 0.0905 -0.0845 129 ASP B O 5207 C CB . ASP B 131 ? 0.8300 0.4850 0.5486 -0.0172 0.0706 -0.0943 129 ASP B CB 5208 C CG . ASP B 131 ? 0.8701 0.5068 0.5648 -0.0196 0.0872 -0.1043 129 ASP B CG 5209 O OD1 . ASP B 131 ? 0.8320 0.4663 0.5373 -0.0050 0.1080 -0.1070 129 ASP B OD1 5210 O OD2 . ASP B 131 ? 0.9157 0.5408 0.5817 -0.0362 0.0796 -0.1089 129 ASP B OD2 5211 N N . GLY B 132 ? 0.8195 0.4940 0.6111 0.0359 0.1112 -0.0852 130 GLY B N 5212 C CA . GLY B 132 ? 0.8108 0.4832 0.6343 0.0560 0.1244 -0.0802 130 GLY B CA 5213 C C . GLY B 132 ? 0.8335 0.4799 0.6473 0.0586 0.1417 -0.0894 130 GLY B C 5214 O O . GLY B 132 ? 0.7951 0.4409 0.6369 0.0762 0.1538 -0.0853 130 GLY B O 5215 N N . LYS B 133 ? 0.8927 0.5181 0.6677 0.0414 0.1419 -0.1010 131 LYS B N 5216 C CA . LYS B 133 ? 0.9211 0.5191 0.6819 0.0435 0.1596 -0.1115 131 LYS B CA 5217 C C . LYS B 133 ? 1.0116 0.5858 0.7817 0.0490 0.1589 -0.1105 131 LYS B C 5218 O O . LYS B 133 ? 1.0010 0.5599 0.7816 0.0623 0.1760 -0.1138 131 LYS B O 5219 C CB . LYS B 133 ? 0.8766 0.4571 0.5910 0.0228 0.1584 -0.1231 131 LYS B CB 5220 C CG . LYS B 133 ? 0.7482 0.3187 0.4389 0.0024 0.1357 -0.1237 131 LYS B CG 5221 C CD . LYS B 133 ? 0.8059 0.3582 0.4531 -0.0165 0.1344 -0.1338 131 LYS B CD 5222 C CE . LYS B 133 ? 0.9152 0.4680 0.5469 -0.0366 0.1089 -0.1311 131 LYS B CE 5223 N NZ . LYS B 133 ? 0.9810 0.5214 0.5726 -0.0561 0.1026 -0.1377 131 LYS B NZ 5224 N N . PHE B 134 ? 0.9658 0.5375 0.7339 0.0393 0.1394 -0.1050 132 PHE B N 5225 C CA . PHE B 134 ? 0.9091 0.4568 0.6835 0.0416 0.1373 -0.1029 132 PHE B CA 5226 C C . PHE B 134 ? 0.9248 0.4802 0.7407 0.0656 0.1450 -0.0913 132 PHE B C 5227 O O . PHE B 134 ? 1.0257 0.5583 0.8482 0.0753 0.1563 -0.0936 132 PHE B O 5228 C CB . PHE B 134 ? 0.8483 0.3961 0.6141 0.0248 0.1153 -0.0979 132 PHE B CB 5229 C CG . PHE B 134 ? 0.9426 0.4865 0.6729 0.0013 0.1046 -0.1068 132 PHE B CG 5230 C CD1 . PHE B 134 ? 0.9752 0.4902 0.6754 -0.0093 0.1109 -0.1196 132 PHE B CD1 5231 C CD2 . PHE B 134 ? 0.9774 0.5466 0.7049 -0.0098 0.0874 -0.1017 132 PHE B CD2 5232 C CE1 . PHE B 134 ? 0.9060 0.4195 0.5749 -0.0310 0.0989 -0.1255 132 PHE B CE1 5233 C CE2 . PHE B 134 ? 0.9520 0.5213 0.6513 -0.0304 0.0754 -0.1072 132 PHE B CE2 5234 C CZ . PHE B 134 ? 0.9217 0.4640 0.5922 -0.0411 0.0805 -0.1183 132 PHE B CZ 5235 N N . LEU B 135 ? 0.8790 0.4667 0.7227 0.0751 0.1376 -0.0782 133 LEU B N 5236 C CA . LEU B 135 ? 0.8304 0.4341 0.7168 0.0979 0.1417 -0.0642 133 LEU B CA 5237 C C . LEU B 135 ? 0.8382 0.4409 0.7400 0.1138 0.1634 -0.0691 133 LEU B C 5238 O O . LEU B 135 ? 0.8334 0.4292 0.7601 0.1297 0.1694 -0.0627 133 LEU B O 5239 C CB . LEU B 135 ? 0.7776 0.4203 0.6876 0.1038 0.1314 -0.0515 133 LEU B CB 5240 C CG . LEU B 135 ? 0.7592 0.4086 0.6683 0.0963 0.1108 -0.0405 133 LEU B CG 5241 C CD1 . LEU B 135 ? 0.6776 0.3643 0.6076 0.1035 0.1031 -0.0299 133 LEU B CD1 5242 C CD2 . LEU B 135 ? 0.6827 0.3196 0.6082 0.1040 0.1056 -0.0281 133 LEU B CD2 5243 N N . ALA B 136 ? 0.8256 0.4359 0.7132 0.1096 0.1751 -0.0794 134 ALA B N 5244 C CA . ALA B 136 ? 0.8829 0.4944 0.7846 0.1237 0.1979 -0.0843 134 ALA B CA 5245 C C . ALA B 136 ? 0.9674 0.5375 0.8523 0.1248 0.2096 -0.0948 134 ALA B C 5246 O O . ALA B 136 ? 0.9497 0.5161 0.8600 0.1430 0.2242 -0.0929 134 ALA B O 5247 C CB . ALA B 136 ? 0.8749 0.4974 0.7562 0.1147 0.2080 -0.0939 134 ALA B CB 5248 N N . ARG B 137 ? 1.0138 0.5534 0.8574 0.1051 0.2019 -0.1051 135 ARG B N 5249 C CA . ARG B 137 ? 0.9646 0.4615 0.7854 0.1022 0.2118 -0.1172 135 ARG B CA 5250 C C . ARG B 137 ? 1.1067 0.5871 0.9502 0.1130 0.2067 -0.1081 135 ARG B C 5251 O O . ARG B 137 ? 1.1900 0.6487 1.0433 0.1267 0.2217 -0.1115 135 ARG B O 5252 C CB . ARG B 137 ? 0.8680 0.3416 0.6390 0.0755 0.2021 -0.1297 135 ARG B CB 5253 C CG . ARG B 137 ? 1.0437 0.4709 0.7893 0.0690 0.2074 -0.1414 135 ARG B CG 5254 C CD . ARG B 137 ? 1.1468 0.5526 0.8837 0.0795 0.2339 -0.1543 135 ARG B CD 5255 N NE . ARG B 137 ? 1.2301 0.5889 0.9321 0.0683 0.2378 -0.1686 135 ARG B NE 5256 C CZ . ARG B 137 ? 1.2608 0.5886 0.9732 0.0804 0.2476 -0.1711 135 ARG B CZ 5257 N NH1 . ARG B 137 ? 1.3028 0.6438 1.0610 0.1048 0.2538 -0.1588 135 ARG B NH1 5258 N NH2 . ARG B 137 ? 1.1874 0.4707 0.8645 0.0678 0.2503 -0.1853 135 ARG B NH2 5259 N N . VAL B 138 ? 1.1591 0.6489 1.0107 0.1070 0.1858 -0.0959 136 VAL B N 5260 C CA . VAL B 138 ? 1.1125 0.5831 0.9789 0.1125 0.1784 -0.0863 136 VAL B CA 5261 C C . VAL B 138 ? 1.0589 0.5502 0.9729 0.1378 0.1801 -0.0690 136 VAL B C 5262 O O . VAL B 138 ? 1.1074 0.5763 1.0351 0.1501 0.1858 -0.0657 136 VAL B O 5263 C CB . VAL B 138 ? 1.0885 0.5607 0.9441 0.0948 0.1560 -0.0787 136 VAL B CB 5264 C CG1 . VAL B 138 ? 1.0808 0.5302 0.9490 0.0988 0.1496 -0.0682 136 VAL B CG1 5265 C CG2 . VAL B 138 ? 1.0815 0.5375 0.8938 0.0691 0.1512 -0.0939 136 VAL B CG2 5266 N N . GLU B 139 ? 0.9054 0.4394 0.8448 0.1452 0.1741 -0.0574 137 GLU B N 5267 C CA . GLU B 139 ? 0.8884 0.4475 0.8740 0.1672 0.1713 -0.0388 137 GLU B CA 5268 C C . GLU B 139 ? 0.8620 0.4466 0.8759 0.1844 0.1882 -0.0397 137 GLU B C 5269 O O . GLU B 139 ? 0.8497 0.4590 0.9054 0.2030 0.1862 -0.0244 137 GLU B O 5270 C CB . GLU B 139 ? 0.9188 0.5087 0.9184 0.1641 0.1493 -0.0212 137 GLU B CB 5271 C CG . GLU B 139 ? 0.9962 0.5632 0.9737 0.1486 0.1337 -0.0171 137 GLU B CG 5272 C CD . GLU B 139 ? 1.1016 0.6393 1.0879 0.1564 0.1324 -0.0088 137 GLU B CD 5273 O OE1 . GLU B 139 ? 1.0443 0.5888 1.0620 0.1769 0.1372 0.0005 137 GLU B OE1 5274 O OE2 . GLU B 139 ? 1.1496 0.6579 1.1125 0.1413 0.1259 -0.0109 137 GLU B OE2 5275 N N . ARG B 140 ? 0.8912 0.4702 0.8819 0.1772 0.2043 -0.0569 138 ARG B N 5276 C CA . ARG B 140 ? 0.9399 0.5402 0.9540 0.1913 0.2238 -0.0594 138 ARG B CA 5277 C C . ARG B 140 ? 0.8157 0.4693 0.8725 0.2013 0.2157 -0.0427 138 ARG B C 5278 O O . ARG B 140 ? 0.8338 0.5110 0.9313 0.2195 0.2246 -0.0346 138 ARG B O 5279 C CB . ARG B 140 ? 1.0017 0.5786 1.0320 0.2092 0.2416 -0.0623 138 ARG B CB 5280 C CG . ARG B 140 ? 1.0583 0.5854 1.0436 0.1989 0.2568 -0.0837 138 ARG B CG 5281 C CD . ARG B 140 ? 1.1508 0.6518 1.1519 0.2179 0.2761 -0.0877 138 ARG B CD 5282 N NE . ARG B 140 ? 1.1459 0.6750 1.1815 0.2363 0.2959 -0.0861 138 ARG B NE 5283 C CZ . ARG B 140 ? 1.1473 0.6779 1.1650 0.2319 0.3164 -0.1005 138 ARG B CZ 5284 N NH1 . ARG B 140 ? 1.1810 0.6860 1.1443 0.2097 0.3181 -0.1173 138 ARG B NH1 5285 N NH2 . ARG B 140 ? 1.0898 0.6487 1.1441 0.2491 0.3343 -0.0971 138 ARG B NH2 5286 N N . VAL B 141 ? 0.7930 0.4657 0.8409 0.1887 0.1980 -0.0375 139 VAL B N 5287 C CA . VAL B 141 ? 0.8320 0.5536 0.9124 0.1937 0.1908 -0.0252 139 VAL B CA 5288 C C . VAL B 141 ? 0.8117 0.5429 0.8716 0.1824 0.2021 -0.0377 139 VAL B C 5289 O O . VAL B 141 ? 0.8990 0.5995 0.9143 0.1678 0.2097 -0.0543 139 VAL B O 5290 C CB . VAL B 141 ? 0.7714 0.5099 0.8560 0.1879 0.1642 -0.0106 139 VAL B CB 5291 C CG1 . VAL B 141 ? 0.7029 0.4398 0.8121 0.1999 0.1516 0.0059 139 VAL B CG1 5292 C CG2 . VAL B 141 ? 0.7521 0.4633 0.7890 0.1670 0.1562 -0.0213 139 VAL B CG2 5293 N N . ILE B 142 ? 0.7292 0.5035 0.8214 0.1879 0.2022 -0.0290 140 ILE B N 5294 C CA . ILE B 142 ? 0.7836 0.5710 0.8577 0.1755 0.2082 -0.0371 140 ILE B CA 5295 C C . ILE B 142 ? 0.7248 0.5247 0.7894 0.1645 0.1853 -0.0306 140 ILE B C 5296 O O . ILE B 142 ? 0.7312 0.5563 0.8270 0.1717 0.1677 -0.0142 140 ILE B O 5297 C CB . ILE B 142 ? 0.7921 0.6200 0.9071 0.1856 0.2221 -0.0314 140 ILE B CB 5298 C CG1 . ILE B 142 ? 0.7959 0.6084 0.9157 0.1959 0.2478 -0.0400 140 ILE B CG1 5299 C CG2 . ILE B 142 ? 0.8323 0.6766 0.9309 0.1717 0.2257 -0.0367 140 ILE B CG2 5300 C CD1 . ILE B 142 ? 0.7615 0.6092 0.9123 0.2017 0.2656 -0.0379 140 ILE B CD1 5301 N N . VAL B 143 ? 0.6978 0.4792 0.7174 0.1465 0.1843 -0.0431 141 VAL B N 5302 C CA . VAL B 143 ? 0.5746 0.3650 0.5822 0.1361 0.1645 -0.0388 141 VAL B CA 5303 C C . VAL B 143 ? 0.6253 0.4387 0.6268 0.1267 0.1677 -0.0420 141 VAL B C 5304 O O . VAL B 143 ? 0.6195 0.4180 0.5936 0.1192 0.1851 -0.0551 141 VAL B O 5305 C CB . VAL B 143 ? 0.6193 0.3717 0.5795 0.1196 0.1535 -0.0483 141 VAL B CB 5306 C CG1 . VAL B 143 ? 0.5847 0.3555 0.5372 0.1068 0.1284 -0.0416 141 VAL B CG1 5307 C CG2 . VAL B 143 ? 0.7393 0.4694 0.7048 0.1258 0.1500 -0.0446 141 VAL B CG2 5308 N N . VAL B 144 ? 0.6036 0.4571 0.6285 0.1226 0.1460 -0.0285 142 VAL B N 5309 C CA . VAL B 144 ? 0.4903 0.3707 0.5122 0.1096 0.1413 -0.0280 142 VAL B CA 5310 C C . VAL B 144 ? 0.5596 0.4471 0.5630 0.0937 0.1127 -0.0244 142 VAL B C 5311 O O . VAL B 144 ? 0.5829 0.4747 0.5959 0.0966 0.0951 -0.0161 142 VAL B O 5312 C CB . VAL B 144 ? 0.5840 0.5103 0.6596 0.1201 0.1441 -0.0149 142 VAL B CB 5313 C CG1 . VAL B 144 ? 0.4199 0.3711 0.4918 0.1046 0.1397 -0.0141 142 VAL B CG1 5314 C CG2 . VAL B 144 ? 0.6353 0.5594 0.7381 0.1389 0.1740 -0.0170 142 VAL B CG2 5315 N N . SER B 145 ? 0.5891 0.4765 0.5653 0.0774 0.1092 -0.0301 143 SER B N 5316 C CA . SER B 145 ? 0.5660 0.4644 0.5312 0.0643 0.0841 -0.0260 143 SER B CA 5317 C C . SER B 145 ? 0.5883 0.5029 0.5483 0.0527 0.0831 -0.0256 143 SER B C 5318 O O . SER B 145 ? 0.7326 0.6346 0.6723 0.0474 0.0996 -0.0328 143 SER B O 5319 C CB . SER B 145 ? 0.5469 0.4147 0.4737 0.0542 0.0749 -0.0337 143 SER B CB 5320 O OG . SER B 145 ? 0.5998 0.4400 0.4900 0.0453 0.0879 -0.0458 143 SER B OG 5321 N N . MET B 146 ? 0.6361 0.5756 0.6117 0.0480 0.0642 -0.0172 144 MET B N 5322 C CA . MET B 146 ? 0.6038 0.5563 0.5757 0.0361 0.0612 -0.0155 144 MET B CA 5323 C C . MET B 146 ? 0.5232 0.4671 0.4696 0.0237 0.0411 -0.0165 144 MET B C 5324 O O . MET B 146 ? 0.5159 0.4560 0.4594 0.0252 0.0266 -0.0160 144 MET B O 5325 C CB . MET B 146 ? 0.4849 0.4738 0.4988 0.0393 0.0565 -0.0050 144 MET B CB 5326 C CG . MET B 146 ? 0.4627 0.4652 0.4857 0.0366 0.0313 0.0010 144 MET B CG 5327 S SD . MET B 146 ? 0.5293 0.5292 0.5619 0.0497 0.0221 0.0045 144 MET B SD 5328 C CE . MET B 146 ? 0.5639 0.5934 0.6458 0.0637 0.0310 0.0148 144 MET B CE 5329 N N . ASN B 147 ? 0.5199 0.4607 0.4489 0.0118 0.0413 -0.0172 145 ASN B N 5330 C CA . ASN B 147 ? 0.5649 0.5057 0.4833 0.0024 0.0213 -0.0147 145 ASN B CA 5331 C C . ASN B 147 ? 0.4958 0.4621 0.4432 0.0013 0.0126 -0.0072 145 ASN B C 5332 O O . ASN B 147 ? 0.4565 0.4387 0.4229 0.0002 0.0230 -0.0033 145 ASN B O 5333 C CB . ASN B 147 ? 0.5345 0.4570 0.4192 -0.0101 0.0226 -0.0169 145 ASN B CB 5334 C CG . ASN B 147 ? 0.5545 0.4505 0.4063 -0.0124 0.0260 -0.0245 145 ASN B CG 5335 O OD1 . ASN B 147 ? 0.6731 0.5635 0.5272 -0.0061 0.0226 -0.0279 145 ASN B OD1 5336 N ND2 . ASN B 147 ? 0.5165 0.3953 0.3357 -0.0228 0.0317 -0.0269 145 ASN B ND2 5337 N N . TYR B 148 ? 0.5212 0.4916 0.4723 0.0010 -0.0059 -0.0057 146 TYR B N 5338 C CA . TYR B 148 ? 0.4724 0.4612 0.4438 -0.0027 -0.0170 -0.0007 146 TYR B CA 5339 C C . TYR B 148 ? 0.4954 0.4712 0.4484 -0.0106 -0.0314 -0.0022 146 TYR B C 5340 O O . TYR B 148 ? 0.5445 0.5052 0.4788 -0.0092 -0.0367 -0.0058 146 TYR B O 5341 C CB . TYR B 148 ? 0.4238 0.4300 0.4183 0.0059 -0.0252 0.0023 146 TYR B CB 5342 C CG . TYR B 148 ? 0.4249 0.4203 0.4057 0.0109 -0.0348 -0.0008 146 TYR B CG 5343 C CD1 . TYR B 148 ? 0.3889 0.3817 0.3616 0.0070 -0.0496 -0.0025 146 TYR B CD1 5344 C CD2 . TYR B 148 ? 0.4738 0.4602 0.4501 0.0192 -0.0275 -0.0022 146 TYR B CD2 5345 C CE1 . TYR B 148 ? 0.3981 0.3836 0.3601 0.0115 -0.0557 -0.0049 146 TYR B CE1 5346 C CE2 . TYR B 148 ? 0.4638 0.4417 0.4291 0.0221 -0.0352 -0.0038 146 TYR B CE2 5347 C CZ . TYR B 148 ? 0.4618 0.4412 0.4208 0.0182 -0.0486 -0.0049 146 TYR B CZ 5348 O OH . TYR B 148 ? 0.3970 0.3704 0.3467 0.0209 -0.0536 -0.0061 146 TYR B OH 5349 N N . ARG B 149 ? 0.4606 0.4421 0.4211 -0.0189 -0.0377 0.0011 147 ARG B N 5350 C CA . ARG B 149 ? 0.4557 0.4220 0.4010 -0.0250 -0.0504 0.0000 147 ARG B CA 5351 C C . ARG B 149 ? 0.4109 0.3744 0.3541 -0.0186 -0.0627 -0.0043 147 ARG B C 5352 O O . ARG B 149 ? 0.4498 0.4265 0.4065 -0.0146 -0.0673 -0.0049 147 ARG B O 5353 C CB . ARG B 149 ? 0.4727 0.4432 0.4281 -0.0355 -0.0546 0.0041 147 ARG B CB 5354 C CG . ARG B 149 ? 0.5379 0.5028 0.4854 -0.0450 -0.0435 0.0092 147 ARG B CG 5355 C CD . ARG B 149 ? 0.5117 0.4843 0.4748 -0.0567 -0.0467 0.0144 147 ARG B CD 5356 N NE . ARG B 149 ? 0.4683 0.4698 0.4628 -0.0558 -0.0417 0.0168 147 ARG B NE 5357 C CZ . ARG B 149 ? 0.4849 0.5012 0.5014 -0.0662 -0.0457 0.0214 147 ARG B CZ 5358 N NH1 . ARG B 149 ? 0.4550 0.4550 0.4622 -0.0786 -0.0542 0.0232 147 ARG B NH1 5359 N NH2 . ARG B 149 ? 0.4383 0.4852 0.4877 -0.0644 -0.0422 0.0251 147 ARG B NH2 5360 N N . VAL B 150 ? 0.4064 0.3537 0.3326 -0.0177 -0.0678 -0.0067 148 VAL B N 5361 C CA . VAL B 150 ? 0.4240 0.3689 0.3489 -0.0117 -0.0768 -0.0109 148 VAL B CA 5362 C C . VAL B 150 ? 0.4296 0.3617 0.3501 -0.0147 -0.0864 -0.0121 148 VAL B C 5363 O O . VAL B 150 ? 0.4261 0.3483 0.3422 -0.0218 -0.0876 -0.0084 148 VAL B O 5364 C CB . VAL B 150 ? 0.4751 0.4149 0.3906 -0.0064 -0.0747 -0.0125 148 VAL B CB 5365 C CG1 . VAL B 150 ? 0.4256 0.3744 0.3466 -0.0014 -0.0666 -0.0127 148 VAL B CG1 5366 C CG2 . VAL B 150 ? 0.3851 0.3121 0.2857 -0.0118 -0.0732 -0.0101 148 VAL B CG2 5367 N N . GLY B 151 ? 0.3887 0.3196 0.3098 -0.0090 -0.0921 -0.0171 149 GLY B N 5368 C CA . GLY B 151 ? 0.3698 0.2858 0.2877 -0.0089 -0.0992 -0.0199 149 GLY B CA 5369 C C . GLY B 151 ? 0.5322 0.4426 0.4526 -0.0170 -0.1036 -0.0209 149 GLY B C 5370 O O . GLY B 151 ? 0.5394 0.4630 0.4670 -0.0218 -0.1032 -0.0205 149 GLY B O 5371 N N . ALA B 152 ? 0.4795 0.3702 0.3957 -0.0187 -0.1088 -0.0214 150 ALA B N 5372 C CA . ALA B 152 ? 0.5254 0.4052 0.4424 -0.0287 -0.1137 -0.0223 150 ALA B CA 5373 C C . ALA B 152 ? 0.5143 0.4057 0.4381 -0.0401 -0.1101 -0.0145 150 ALA B C 5374 O O . ALA B 152 ? 0.4974 0.3984 0.4298 -0.0481 -0.1124 -0.0155 150 ALA B O 5375 C CB . ALA B 152 ? 0.3585 0.2108 0.2701 -0.0284 -0.1187 -0.0216 150 ALA B CB 5376 N N . LEU B 153 ? 0.4650 0.3569 0.3851 -0.0412 -0.1041 -0.0069 151 LEU B N 5377 C CA . LEU B 153 ? 0.4267 0.3293 0.3522 -0.0511 -0.0967 0.0002 151 LEU B CA 5378 C C . LEU B 153 ? 0.4700 0.3995 0.4119 -0.0500 -0.0918 -0.0012 151 LEU B C 5379 O O . LEU B 153 ? 0.5004 0.4435 0.4561 -0.0588 -0.0874 0.0036 151 LEU B O 5380 C CB . LEU B 153 ? 0.4540 0.3519 0.3663 -0.0511 -0.0892 0.0066 151 LEU B CB 5381 C CG . LEU B 153 ? 0.5019 0.3752 0.3983 -0.0545 -0.0949 0.0128 151 LEU B CG 5382 C CD1 . LEU B 153 ? 0.5178 0.3889 0.3968 -0.0568 -0.0881 0.0188 151 LEU B CD1 5383 C CD2 . LEU B 153 ? 0.5051 0.3656 0.4035 -0.0666 -0.0980 0.0181 151 LEU B CD2 5384 N N . GLY B 154 ? 0.5126 0.4508 0.4552 -0.0393 -0.0923 -0.0063 152 GLY B N 5385 C CA . GLY B 154 ? 0.3645 0.3266 0.3227 -0.0362 -0.0895 -0.0060 152 GLY B CA 5386 C C . GLY B 154 ? 0.4789 0.4481 0.4435 -0.0380 -0.1005 -0.0100 152 GLY B C 5387 O O . GLY B 154 ? 0.5380 0.5287 0.5200 -0.0402 -0.1018 -0.0065 152 GLY B O 5388 N N . PHE B 155 ? 0.4900 0.4413 0.4405 -0.0371 -0.1086 -0.0172 153 PHE B N 5389 C CA . PHE B 155 ? 0.4546 0.4087 0.4018 -0.0375 -0.1180 -0.0234 153 PHE B CA 5390 C C . PHE B 155 ? 0.5294 0.4634 0.4669 -0.0432 -0.1222 -0.0302 153 PHE B C 5391 O O . PHE B 155 ? 0.5012 0.4351 0.4318 -0.0423 -0.1238 -0.0362 153 PHE B O 5392 C CB . PHE B 155 ? 0.4084 0.3665 0.3479 -0.0246 -0.1126 -0.0261 153 PHE B CB 5393 C CG . PHE B 155 ? 0.3677 0.3443 0.3171 -0.0190 -0.1086 -0.0196 153 PHE B CG 5394 C CD1 . PHE B 155 ? 0.3977 0.3941 0.3583 -0.0193 -0.1130 -0.0155 153 PHE B CD1 5395 C CD2 . PHE B 155 ? 0.4533 0.4270 0.4023 -0.0134 -0.0985 -0.0168 153 PHE B CD2 5396 C CE1 . PHE B 155 ? 0.3477 0.3592 0.3210 -0.0119 -0.1060 -0.0085 153 PHE B CE1 5397 C CE2 . PHE B 155 ? 0.3906 0.3771 0.3485 -0.0077 -0.0910 -0.0118 153 PHE B CE2 5398 C CZ . PHE B 155 ? 0.4219 0.4267 0.3933 -0.0059 -0.0939 -0.0075 153 PHE B CZ 5399 N N . LEU B 156 ? 0.3495 0.2643 0.2845 -0.0496 -0.1239 -0.0291 154 LEU B N 5400 C CA . LEU B 156 ? 0.4540 0.3466 0.3816 -0.0557 -0.1279 -0.0346 154 LEU B CA 5401 C C . LEU B 156 ? 0.6083 0.5143 0.5440 -0.0676 -0.1337 -0.0351 154 LEU B C 5402 O O . LEU B 156 ? 0.5795 0.5056 0.5325 -0.0768 -0.1362 -0.0273 154 LEU B O 5403 C CB . LEU B 156 ? 0.5097 0.3806 0.4360 -0.0631 -0.1297 -0.0296 154 LEU B CB 5404 C CG . LEU B 156 ? 0.5669 0.4085 0.4847 -0.0670 -0.1332 -0.0350 154 LEU B CG 5405 C CD1 . LEU B 156 ? 0.6126 0.4302 0.5206 -0.0546 -0.1318 -0.0372 154 LEU B CD1 5406 C CD2 . LEU B 156 ? 0.5179 0.3511 0.4421 -0.0843 -0.1367 -0.0277 154 LEU B CD2 5407 N N . ALA B 157 ? 0.5574 0.4532 0.4814 -0.0681 -0.1361 -0.0441 155 ALA B N 5408 C CA . ALA B 157 ? 0.5838 0.4925 0.5126 -0.0796 -0.1434 -0.0453 155 ALA B CA 5409 C C . ALA B 157 ? 0.6594 0.5424 0.5755 -0.0886 -0.1476 -0.0541 155 ALA B C 5410 O O . ALA B 157 ? 0.5796 0.4414 0.4765 -0.0820 -0.1446 -0.0646 155 ALA B O 5411 C CB . ALA B 157 ? 0.4412 0.3702 0.3662 -0.0730 -0.1438 -0.0471 155 ALA B CB 5412 N N . LEU B 158 ? 0.6551 0.5402 0.5833 -0.1043 -0.1538 -0.0498 156 LEU B N 5413 C CA . LEU B 158 ? 0.7316 0.5997 0.6507 -0.1164 -0.1601 -0.0577 156 LEU B CA 5414 C C . LEU B 158 ? 0.7014 0.5992 0.6327 -0.1268 -0.1692 -0.0550 156 LEU B C 5415 O O . LEU B 158 ? 0.7047 0.6162 0.6565 -0.1407 -0.1745 -0.0471 156 LEU B O 5416 C CB . LEU B 158 ? 0.6992 0.5467 0.6242 -0.1279 -0.1609 -0.0536 156 LEU B CB 5417 C CG . LEU B 158 ? 0.7683 0.5787 0.6773 -0.1183 -0.1549 -0.0583 156 LEU B CG 5418 C CD1 . LEU B 158 ? 0.8379 0.6281 0.7528 -0.1304 -0.1561 -0.0515 156 LEU B CD1 5419 C CD2 . LEU B 158 ? 0.8192 0.6068 0.7061 -0.1132 -0.1542 -0.0740 156 LEU B CD2 5420 N N . PRO B 159 ? 0.6474 0.5563 0.5673 -0.1203 -0.1711 -0.0603 157 PRO B N 5421 C CA . PRO B 159 ? 0.6440 0.5858 0.5768 -0.1254 -0.1802 -0.0547 157 PRO B CA 5422 C C . PRO B 159 ? 0.7593 0.7079 0.7048 -0.1445 -0.1919 -0.0529 157 PRO B C 5423 O O . PRO B 159 ? 0.9383 0.8614 0.8670 -0.1540 -0.1957 -0.0629 157 PRO B O 5424 C CB . PRO B 159 ? 0.6335 0.5700 0.5399 -0.1179 -0.1805 -0.0643 157 PRO B CB 5425 C CG . PRO B 159 ? 0.6458 0.5610 0.5365 -0.1032 -0.1675 -0.0699 157 PRO B CG 5426 C CD . PRO B 159 ? 0.6730 0.5626 0.5665 -0.1076 -0.1644 -0.0714 157 PRO B CD 5427 N N . GLY B 160 ? 0.7410 0.7239 0.7180 -0.1502 -0.1970 -0.0401 158 GLY B N 5428 C CA . GLY B 160 ? 0.7474 0.7427 0.7432 -0.1691 -0.2078 -0.0361 158 GLY B CA 5429 C C . GLY B 160 ? 0.7274 0.7197 0.7439 -0.1799 -0.2032 -0.0290 158 GLY B C 5430 O O . GLY B 160 ? 0.8517 0.8592 0.8903 -0.1962 -0.2103 -0.0231 158 GLY B O 5431 N N . ASN B 161 ? 0.6536 0.6266 0.6629 -0.1715 -0.1914 -0.0286 159 ASN B N 5432 C CA . ASN B 161 ? 0.6470 0.6133 0.6711 -0.1813 -0.1856 -0.0208 159 ASN B CA 5433 C C . ASN B 161 ? 0.6738 0.6685 0.7239 -0.1760 -0.1769 -0.0076 159 ASN B C 5434 O O . ASN B 161 ? 0.7318 0.7208 0.7713 -0.1612 -0.1696 -0.0083 159 ASN B O 5435 C CB . ASN B 161 ? 0.6792 0.5997 0.6751 -0.1771 -0.1794 -0.0288 159 ASN B CB 5436 C CG . ASN B 161 ? 0.8094 0.7151 0.8145 -0.1908 -0.1758 -0.0213 159 ASN B CG 5437 O OD1 . ASN B 161 ? 0.8949 0.8264 0.9275 -0.2002 -0.1727 -0.0086 159 ASN B OD1 5438 N ND2 . ASN B 161 ? 0.8669 0.7309 0.8496 -0.1916 -0.1748 -0.0285 159 ASN B ND2 5439 N N . PRO B 162 ? 0.6872 0.7133 0.7727 -0.1887 -0.1767 0.0043 160 PRO B N 5440 C CA . PRO B 162 ? 0.6847 0.7409 0.7987 -0.1848 -0.1660 0.0170 160 PRO B CA 5441 C C . PRO B 162 ? 0.7045 0.7362 0.8049 -0.1833 -0.1538 0.0196 160 PRO B C 5442 O O . PRO B 162 ? 0.7093 0.7595 0.8231 -0.1772 -0.1440 0.0271 160 PRO B O 5443 C CB . PRO B 162 ? 0.6586 0.7501 0.8137 -0.2010 -0.1662 0.0284 160 PRO B CB 5444 C CG . PRO B 162 ? 0.6650 0.7332 0.8070 -0.2166 -0.1762 0.0218 160 PRO B CG 5445 C CD . PRO B 162 ? 0.6783 0.7166 0.7818 -0.2071 -0.1856 0.0067 160 PRO B CD 5446 N N . GLU B 163 ? 0.7054 0.6957 0.7792 -0.1884 -0.1542 0.0139 161 GLU B N 5447 C CA . GLU B 163 ? 0.7566 0.7198 0.8137 -0.1863 -0.1444 0.0173 161 GLU B CA 5448 C C . GLU B 163 ? 0.7291 0.6755 0.7611 -0.1663 -0.1431 0.0098 161 GLU B C 5449 O O . GLU B 163 ? 0.7196 0.6520 0.7403 -0.1610 -0.1341 0.0141 161 GLU B O 5450 C CB . GLU B 163 ? 0.8451 0.7692 0.8846 -0.1965 -0.1456 0.0158 161 GLU B CB 5451 C CG . GLU B 163 ? 1.0068 0.9435 1.0693 -0.2178 -0.1460 0.0236 161 GLU B CG 5452 C CD . GLU B 163 ? 1.0917 1.0479 1.1755 -0.2286 -0.1316 0.0399 161 GLU B CD 5453 O OE1 . GLU B 163 ? 1.0924 1.0342 1.1611 -0.2230 -0.1217 0.0452 161 GLU B OE1 5454 O OE2 . GLU B 163 ? 1.1094 1.0960 1.2246 -0.2429 -0.1291 0.0478 161 GLU B OE2 5455 N N . ALA B 164 ? 0.5708 0.5190 0.5925 -0.1541 -0.1498 -0.0007 162 ALA B N 5456 C CA . ALA B 164 ? 0.6287 0.5671 0.6306 -0.1345 -0.1472 -0.0075 162 ALA B CA 5457 C C . ALA B 164 ? 0.6444 0.5999 0.6448 -0.1254 -0.1525 -0.0143 162 ALA B C 5458 O O . ALA B 164 ? 0.5981 0.5341 0.5769 -0.1196 -0.1551 -0.0251 162 ALA B O 5459 C CB . ALA B 164 ? 0.5749 0.4712 0.5490 -0.1277 -0.1457 -0.0147 162 ALA B CB 5460 N N . PRO B 165 ? 0.5589 0.5516 0.5832 -0.1243 -0.1534 -0.0070 163 PRO B N 5461 C CA . PRO B 165 ? 0.5253 0.5350 0.5507 -0.1207 -0.1610 -0.0104 163 PRO B CA 5462 C C . PRO B 165 ? 0.5011 0.5084 0.5081 -0.1028 -0.1582 -0.0158 163 PRO B C 5463 O O . PRO B 165 ? 0.5195 0.5336 0.5192 -0.1005 -0.1639 -0.0196 163 PRO B O 5464 C CB . PRO B 165 ? 0.3257 0.3777 0.3905 -0.1273 -0.1634 0.0023 163 PRO B CB 5465 C CG . PRO B 165 ? 0.4737 0.5351 0.5562 -0.1280 -0.1532 0.0114 163 PRO B CG 5466 C CD . PRO B 165 ? 0.4432 0.4653 0.4988 -0.1304 -0.1482 0.0061 163 PRO B CD 5467 N N . GLY B 166 ? 0.4227 0.4197 0.4209 -0.0915 -0.1498 -0.0160 164 GLY B N 5468 C CA . GLY B 166 ? 0.4907 0.4900 0.4767 -0.0754 -0.1457 -0.0188 164 GLY B CA 5469 C C . GLY B 166 ? 0.5539 0.5832 0.5628 -0.0693 -0.1446 -0.0084 164 GLY B C 5470 O O . GLY B 166 ? 0.5329 0.5882 0.5713 -0.0773 -0.1482 0.0009 164 GLY B O 5471 N N . ASN B 167 ? 0.5556 0.5824 0.5543 -0.0550 -0.1386 -0.0092 165 ASN B N 5472 C CA . ASN B 167 ? 0.4130 0.4631 0.4309 -0.0451 -0.1333 -0.0001 165 ASN B CA 5473 C C . ASN B 167 ? 0.4602 0.5216 0.5006 -0.0447 -0.1189 0.0072 165 ASN B C 5474 O O . ASN B 167 ? 0.5619 0.6465 0.6265 -0.0382 -0.1129 0.0153 165 ASN B O 5475 C CB . ASN B 167 ? 0.4053 0.4813 0.4395 -0.0460 -0.1444 0.0065 165 ASN B CB 5476 C CG . ASN B 167 ? 0.4620 0.5268 0.4689 -0.0412 -0.1461 -0.0003 165 ASN B CG 5477 O OD1 . ASN B 167 ? 0.5124 0.5571 0.4952 -0.0344 -0.1391 -0.0073 165 ASN B OD1 5478 N ND2 . ASN B 167 ? 0.5161 0.5957 0.5282 -0.0456 -0.1554 0.0025 165 ASN B ND2 5479 N N . MET B 168 ? 0.4377 0.4818 0.4698 -0.0513 -0.1124 0.0047 166 MET B N 5480 C CA . MET B 168 ? 0.4510 0.5039 0.4987 -0.0526 -0.0971 0.0113 166 MET B CA 5481 C C . MET B 168 ? 0.4935 0.5481 0.5398 -0.0381 -0.0819 0.0126 166 MET B C 5482 O O . MET B 168 ? 0.4875 0.5598 0.5551 -0.0353 -0.0691 0.0186 166 MET B O 5483 C CB . MET B 168 ? 0.4116 0.4416 0.4444 -0.0629 -0.0940 0.0098 166 MET B CB 5484 C CG . MET B 168 ? 0.4718 0.4986 0.5096 -0.0795 -0.1067 0.0095 166 MET B CG 5485 S SD . MET B 168 ? 0.5387 0.5338 0.5468 -0.0803 -0.1227 -0.0027 166 MET B SD 5486 C CE . MET B 168 ? 0.4735 0.4362 0.4575 -0.0750 -0.1137 -0.0042 166 MET B CE 5487 N N . GLY B 169 ? 0.4472 0.4829 0.4695 -0.0292 -0.0824 0.0066 167 GLY B N 5488 C CA . GLY B 169 ? 0.3455 0.3783 0.3631 -0.0174 -0.0702 0.0066 167 GLY B CA 5489 C C . GLY B 169 ? 0.4742 0.5286 0.5140 -0.0080 -0.0692 0.0121 167 GLY B C 5490 O O . GLY B 169 ? 0.3025 0.3609 0.3513 0.0003 -0.0554 0.0146 167 GLY B O 5491 N N . LEU B 170 ? 0.3642 0.4306 0.4113 -0.0094 -0.0843 0.0140 168 LEU B N 5492 C CA . LEU B 170 ? 0.3983 0.4872 0.4688 -0.0013 -0.0871 0.0222 168 LEU B CA 5493 C C . LEU B 170 ? 0.4300 0.5457 0.5381 -0.0023 -0.0793 0.0307 168 LEU B C 5494 O O . LEU B 170 ? 0.3929 0.5227 0.5236 0.0092 -0.0707 0.0373 168 LEU B O 5495 C CB . LEU B 170 ? 0.3081 0.4031 0.3731 -0.0052 -0.1072 0.0231 168 LEU B CB 5496 C CG . LEU B 170 ? 0.4322 0.5065 0.4652 -0.0004 -0.1111 0.0169 168 LEU B CG 5497 C CD1 . LEU B 170 ? 0.4339 0.5100 0.4534 -0.0074 -0.1295 0.0152 168 LEU B CD1 5498 C CD2 . LEU B 170 ? 0.3638 0.4379 0.3995 0.0134 -0.1030 0.0223 168 LEU B CD2 5499 N N . PHE B 171 ? 0.3638 0.4859 0.4803 -0.0158 -0.0811 0.0308 169 PHE B N 5500 C CA . PHE B 171 ? 0.4772 0.6275 0.6321 -0.0181 -0.0715 0.0393 169 PHE B CA 5501 C C . PHE B 171 ? 0.4839 0.6261 0.6374 -0.0108 -0.0460 0.0378 169 PHE B C 5502 O O . PHE B 171 ? 0.4548 0.6196 0.6409 -0.0043 -0.0320 0.0444 169 PHE B O 5503 C CB . PHE B 171 ? 0.4414 0.6002 0.6058 -0.0371 -0.0799 0.0407 169 PHE B CB 5504 C CG . PHE B 171 ? 0.4928 0.6714 0.6729 -0.0455 -0.1032 0.0449 169 PHE B CG 5505 C CD1 . PHE B 171 ? 0.4803 0.6981 0.7051 -0.0433 -0.1074 0.0569 169 PHE B CD1 5506 C CD2 . PHE B 171 ? 0.5065 0.6640 0.6564 -0.0555 -0.1214 0.0369 169 PHE B CD2 5507 C CE1 . PHE B 171 ? 0.4408 0.6780 0.6786 -0.0531 -0.1323 0.0617 169 PHE B CE1 5508 C CE2 . PHE B 171 ? 0.4954 0.6680 0.6537 -0.0654 -0.1438 0.0394 169 PHE B CE2 5509 C CZ . PHE B 171 ? 0.4978 0.7105 0.6988 -0.0650 -0.1503 0.0521 169 PHE B CZ 5510 N N . ASP B 172 ? 0.4104 0.5206 0.5261 -0.0120 -0.0401 0.0292 170 ASP B N 5511 C CA . ASP B 172 ? 0.4657 0.5615 0.5687 -0.0060 -0.0180 0.0258 170 ASP B CA 5512 C C . ASP B 172 ? 0.4967 0.5969 0.6122 0.0113 -0.0086 0.0271 170 ASP B C 5513 O O . ASP B 172 ? 0.4578 0.5680 0.5928 0.0184 0.0108 0.0294 170 ASP B O 5514 C CB . ASP B 172 ? 0.4468 0.5081 0.5063 -0.0100 -0.0197 0.0174 170 ASP B CB 5515 C CG . ASP B 172 ? 0.4794 0.5313 0.5258 -0.0257 -0.0252 0.0174 170 ASP B CG 5516 O OD1 . ASP B 172 ? 0.4327 0.5021 0.5009 -0.0350 -0.0235 0.0232 170 ASP B OD1 5517 O OD2 . ASP B 172 ? 0.4860 0.5127 0.5021 -0.0287 -0.0314 0.0125 170 ASP B OD2 5518 N N . GLN B 173 ? 0.4099 0.5015 0.5145 0.0181 -0.0212 0.0258 171 GLN B N 5519 C CA . GLN B 173 ? 0.4175 0.5085 0.5314 0.0338 -0.0146 0.0281 171 GLN B CA 5520 C C . GLN B 173 ? 0.4558 0.5802 0.6169 0.0419 -0.0115 0.0392 171 GLN B C 5521 O O . GLN B 173 ? 0.4144 0.5407 0.5928 0.0550 0.0059 0.0411 171 GLN B O 5522 C CB . GLN B 173 ? 0.4173 0.4978 0.5141 0.0369 -0.0312 0.0278 171 GLN B CB 5523 C CG . GLN B 173 ? 0.3585 0.4096 0.4156 0.0317 -0.0335 0.0182 171 GLN B CG 5524 C CD . GLN B 173 ? 0.3995 0.4471 0.4440 0.0323 -0.0500 0.0187 171 GLN B CD 5525 O OE1 . GLN B 173 ? 0.4444 0.5058 0.5041 0.0384 -0.0577 0.0264 171 GLN B OE1 5526 N NE2 . GLN B 173 ? 0.3581 0.3882 0.3753 0.0260 -0.0554 0.0114 171 GLN B NE2 5527 N N . GLN B 174 ? 0.4042 0.5547 0.5871 0.0339 -0.0288 0.0464 172 GLN B N 5528 C CA . GLN B 174 ? 0.3365 0.5242 0.5689 0.0401 -0.0308 0.0591 172 GLN B CA 5529 C C . GLN B 174 ? 0.3446 0.5494 0.6062 0.0409 -0.0076 0.0610 172 GLN B C 5530 O O . GLN B 174 ? 0.4083 0.6374 0.7117 0.0539 0.0028 0.0696 172 GLN B O 5531 C CB . GLN B 174 ? 0.4014 0.6119 0.6462 0.0275 -0.0573 0.0655 172 GLN B CB 5532 C CG . GLN B 174 ? 0.4279 0.6797 0.7249 0.0336 -0.0657 0.0809 172 GLN B CG 5533 C CD . GLN B 174 ? 0.4603 0.7344 0.7675 0.0168 -0.0927 0.0862 172 GLN B CD 5534 O OE1 . GLN B 174 ? 0.4710 0.7605 0.7940 0.0018 -0.0929 0.0865 172 GLN B OE1 5535 N NE2 . GLN B 174 ? 0.4178 0.6922 0.7138 0.0177 -0.1157 0.0907 172 GLN B NE2 5536 N N . LEU B 175 ? 0.3632 0.5548 0.6031 0.0277 0.0017 0.0536 173 LEU B N 5537 C CA . LEU B 175 ? 0.4387 0.6427 0.6986 0.0268 0.0270 0.0547 173 LEU B CA 5538 C C . LEU B 175 ? 0.3406 0.5237 0.5886 0.0426 0.0531 0.0481 173 LEU B C 5539 O O . LEU B 175 ? 0.4146 0.6148 0.6936 0.0516 0.0756 0.0513 173 LEU B O 5540 C CB . LEU B 175 ? 0.3946 0.5873 0.6303 0.0069 0.0292 0.0503 173 LEU B CB 5541 C CG . LEU B 175 ? 0.4224 0.6326 0.6803 0.0025 0.0549 0.0537 173 LEU B CG 5542 C CD1 . LEU B 175 ? 0.4025 0.6617 0.7248 0.0061 0.0554 0.0666 173 LEU B CD1 5543 C CD2 . LEU B 175 ? 0.4303 0.6279 0.6633 -0.0188 0.0545 0.0521 173 LEU B CD2 5544 N N . ALA B 176 ? 0.3537 0.4995 0.5574 0.0454 0.0505 0.0386 174 ALA B N 5545 C CA . ALA B 176 ? 0.4441 0.5648 0.6321 0.0588 0.0724 0.0310 174 ALA B CA 5546 C C . ALA B 176 ? 0.4887 0.6238 0.7150 0.0793 0.0761 0.0385 174 ALA B C 5547 O O . ALA B 176 ? 0.5209 0.6496 0.7575 0.0925 0.1010 0.0355 174 ALA B O 5548 C CB . ALA B 176 ? 0.4095 0.4901 0.5453 0.0548 0.0653 0.0205 174 ALA B CB 5549 N N . LEU B 177 ? 0.4725 0.6251 0.7180 0.0819 0.0517 0.0484 175 LEU B N 5550 C CA . LEU B 177 ? 0.4424 0.6122 0.7279 0.1008 0.0509 0.0595 175 LEU B CA 5551 C C . LEU B 177 ? 0.4804 0.6908 0.8234 0.1077 0.0647 0.0692 175 LEU B C 5552 O O . LEU B 177 ? 0.4523 0.6699 0.8284 0.1272 0.0803 0.0743 175 LEU B O 5553 C CB . LEU B 177 ? 0.4538 0.6361 0.7442 0.0989 0.0193 0.0696 175 LEU B CB 5554 C CG . LEU B 177 ? 0.4780 0.6283 0.7199 0.0930 0.0035 0.0632 175 LEU B CG 5555 C CD1 . LEU B 177 ? 0.4667 0.6302 0.7220 0.0987 -0.0196 0.0761 175 LEU B CD1 5556 C CD2 . LEU B 177 ? 0.4540 0.5629 0.6612 0.0993 0.0208 0.0517 175 LEU B CD2 5557 N N . GLN B 178 ? 0.5918 0.8286 0.9487 0.0915 0.0594 0.0722 176 GLN B N 5558 C CA . GLN B 178 ? 0.5727 0.8531 0.9873 0.0943 0.0721 0.0823 176 GLN B CA 5559 C C . GLN B 178 ? 0.5754 0.8435 0.9892 0.1034 0.1114 0.0736 176 GLN B C 5560 O O . GLN B 178 ? 0.5030 0.7992 0.9676 0.1180 0.1310 0.0808 176 GLN B O 5561 C CB . GLN B 178 ? 0.5632 0.8674 0.9842 0.0706 0.0575 0.0858 176 GLN B CB 5562 C CG . GLN B 178 ? 0.6767 1.0373 1.1666 0.0695 0.0517 0.1022 176 GLN B CG 5563 C CD . GLN B 178 ? 0.7829 1.1621 1.2767 0.0513 0.0147 0.1095 176 GLN B CD 5564 O OE1 . GLN B 178 ? 0.7591 1.1096 1.2039 0.0360 -0.0010 0.1004 176 GLN B OE1 5565 N NE2 . GLN B 178 ? 0.8478 1.2579 1.3774 0.0509 0.0002 0.1196 176 GLN B NE2 5566 N N . TRP B 179 ? 0.5285 0.7542 0.8836 0.0949 0.1227 0.0582 177 TRP B N 5567 C CA . TRP B 179 ? 0.5084 0.7142 0.8475 0.1002 0.1591 0.0472 177 TRP B CA 5568 C C . TRP B 179 ? 0.4537 0.6437 0.8046 0.1253 0.1775 0.0443 177 TRP B C 5569 O O . TRP B 179 ? 0.5102 0.7064 0.8834 0.1370 0.2074 0.0421 177 TRP B O 5570 C CB . TRP B 179 ? 0.5661 0.7274 0.8344 0.0841 0.1604 0.0326 177 TRP B CB 5571 C CG . TRP B 179 ? 0.5536 0.6913 0.7959 0.0859 0.1959 0.0207 177 TRP B CG 5572 C CD1 . TRP B 179 ? 0.6261 0.7738 0.8661 0.0746 0.2166 0.0199 177 TRP B CD1 5573 C CD2 . TRP B 179 ? 0.5562 0.6541 0.7677 0.0986 0.2154 0.0076 177 TRP B CD2 5574 N NE1 . TRP B 179 ? 0.7324 0.8492 0.9394 0.0797 0.2486 0.0066 177 TRP B NE1 5575 C CE2 . TRP B 179 ? 0.6521 0.7370 0.8409 0.0942 0.2480 -0.0019 177 TRP B CE2 5576 C CE3 . TRP B 179 ? 0.6659 0.7360 0.8651 0.1119 0.2088 0.0030 177 TRP B CE3 5577 C CZ2 . TRP B 179 ? 0.6253 0.6688 0.7770 0.1025 0.2735 -0.0176 177 TRP B CZ2 5578 C CZ3 . TRP B 179 ? 0.7170 0.7461 0.8829 0.1200 0.2338 -0.0119 177 TRP B CZ3 5579 C CH2 . TRP B 179 ? 0.6788 0.6942 0.8202 0.1152 0.2654 -0.0228 177 TRP B CH2 5580 N N . VAL B 180 ? 0.4263 0.5925 0.7583 0.1322 0.1590 0.0436 178 VAL B N 5581 C CA . VAL B 180 ? 0.4655 0.6114 0.8065 0.1550 0.1720 0.0422 178 VAL B CA 5582 C C . VAL B 180 ? 0.5516 0.7319 0.9474 0.1672 0.1712 0.0546 178 VAL B C 5583 O O . VAL B 180 ? 0.4673 0.6359 0.8689 0.1790 0.1926 0.0495 178 VAL B O 5584 C CB . VAL B 180 ? 0.4342 0.5564 0.7503 0.1560 0.1451 0.0441 178 VAL B CB 5585 C CG1 . VAL B 180 ? 0.3820 0.4855 0.7089 0.1757 0.1509 0.0460 178 VAL B CG1 5586 C CG2 . VAL B 180 ? 0.3555 0.4349 0.6022 0.1386 0.1396 0.0286 178 VAL B CG2 5587 N N . GLN B 181 ? 0.5378 0.7591 0.9704 0.1624 0.1448 0.0704 179 GLN B N 5588 C CA . GLN B 181 ? 0.5292 0.7850 1.0118 0.1711 0.1388 0.0833 179 GLN B CA 5589 C C . GLN B 181 ? 0.6062 0.8800 1.1148 0.1739 0.1679 0.0802 179 GLN B C 5590 O O . GLN B 181 ? 0.6164 0.8950 1.1520 0.1895 0.1792 0.0830 179 GLN B O 5591 C CB . GLN B 181 ? 0.5307 0.8253 1.0381 0.1588 0.1050 0.0979 179 GLN B CB 5592 C CG . GLN B 181 ? 0.5629 0.8421 1.0482 0.1590 0.0752 0.1030 179 GLN B CG 5593 C CD . GLN B 181 ? 0.6249 0.8907 1.1187 0.1774 0.0732 0.1085 179 GLN B CD 5594 O OE1 . GLN B 181 ? 0.6422 0.9353 1.1764 0.1851 0.0699 0.1191 179 GLN B OE1 5595 N NE2 . GLN B 181 ? 0.4752 0.6988 0.9323 0.1843 0.0756 0.1018 179 GLN B NE2 5596 N N . LYS B 182 ? 0.6294 0.9116 1.1284 0.1585 0.1807 0.0747 180 LYS B N 5597 C CA . LYS B 182 ? 0.5875 0.8883 1.1072 0.1576 0.2083 0.0723 180 LYS B CA 5598 C C . LYS B 182 ? 0.5570 0.8168 1.0408 0.1664 0.2431 0.0553 180 LYS B C 5599 O O . LYS B 182 ? 0.7054 0.9762 1.2086 0.1725 0.2672 0.0532 180 LYS B O 5600 C CB . LYS B 182 ? 0.5971 0.9223 1.1179 0.1347 0.2076 0.0744 180 LYS B CB 5601 C CG . LYS B 182 ? 0.7021 1.0653 1.2537 0.1217 0.1720 0.0895 180 LYS B CG 5602 C CD . LYS B 182 ? 0.8136 1.2051 1.3771 0.0990 0.1745 0.0931 180 LYS B CD 5603 C CE . LYS B 182 ? 0.9536 1.3144 1.4675 0.0859 0.1939 0.0814 180 LYS B CE 5604 N NZ . LYS B 182 ? 0.9985 1.3826 1.5202 0.0614 0.1957 0.0864 180 LYS B NZ 5605 N N . ASN B 183 ? 0.5142 0.7264 0.9445 0.1662 0.2448 0.0428 181 ASN B N 5606 C CA . ASN B 183 ? 0.5926 0.7611 0.9747 0.1669 0.2744 0.0243 181 ASN B CA 5607 C C . ASN B 183 ? 0.6788 0.7998 1.0312 0.1806 0.2787 0.0141 181 ASN B C 5608 O O . ASN B 183 ? 0.7329 0.8210 1.0527 0.1826 0.3032 -0.0005 181 ASN B O 5609 C CB . ASN B 183 ? 0.6911 0.8386 1.0206 0.1466 0.2777 0.0146 181 ASN B CB 5610 C CG . ASN B 183 ? 0.8093 0.9954 1.1590 0.1301 0.2809 0.0223 181 ASN B CG 5611 O OD1 . ASN B 183 ? 0.7655 0.9575 1.1143 0.1263 0.3053 0.0185 181 ASN B OD1 5612 N ND2 . ASN B 183 ? 0.8454 1.0568 1.2121 0.1190 0.2559 0.0335 181 ASN B ND2 5613 N N . ILE B 184 ? 0.6731 0.7888 1.0335 0.1883 0.2545 0.0215 182 ILE B N 5614 C CA . ILE B 184 ? 0.7613 0.8275 1.0862 0.1966 0.2565 0.0115 182 ILE B CA 5615 C C . ILE B 184 ? 0.8304 0.8864 1.1750 0.2148 0.2745 0.0095 182 ILE B C 5616 O O . ILE B 184 ? 0.9870 0.9973 1.2960 0.2188 0.2848 -0.0030 182 ILE B O 5617 C CB . ILE B 184 ? 0.5301 0.5892 0.8511 0.1975 0.2259 0.0199 182 ILE B CB 5618 C CG1 . ILE B 184 ? 0.5927 0.5950 0.8576 0.1950 0.2282 0.0054 182 ILE B CG1 5619 C CG2 . ILE B 184 ? 0.5238 0.6088 0.8949 0.2127 0.2101 0.0371 182 ILE B CG2 5620 C CD1 . ILE B 184 ? 0.6085 0.5875 0.8204 0.1766 0.2315 -0.0081 182 ILE B CD1 5621 N N . ALA B 185 ? 0.7011 0.7991 1.1027 0.2254 0.2777 0.0219 183 ALA B N 5622 C CA . ALA B 185 ? 0.7385 0.8294 1.1632 0.2443 0.2970 0.0203 183 ALA B CA 5623 C C . ALA B 185 ? 0.7971 0.8571 1.1854 0.2419 0.3312 0.0009 183 ALA B C 5624 O O . ALA B 185 ? 0.8310 0.8602 1.2105 0.2545 0.3485 -0.0080 183 ALA B O 5625 C CB . ALA B 185 ? 0.6650 0.8112 1.1596 0.2547 0.2938 0.0377 183 ALA B CB 5626 N N . ALA B 186 ? 0.8155 0.8826 1.1802 0.2248 0.3400 -0.0055 184 ALA B N 5627 C CA . ALA B 186 ? 0.7765 0.8167 1.1006 0.2186 0.3705 -0.0230 184 ALA B CA 5628 C C . ALA B 186 ? 0.8540 0.8331 1.1086 0.2110 0.3718 -0.0406 184 ALA B C 5629 O O . ALA B 186 ? 0.9382 0.8851 1.1517 0.2065 0.3947 -0.0566 184 ALA B O 5630 C CB . ALA B 186 ? 0.6568 0.7232 0.9743 0.2003 0.3757 -0.0221 184 ALA B CB 5631 N N . PHE B 187 ? 0.7881 0.7523 1.0292 0.2082 0.3459 -0.0371 185 PHE B N 5632 C CA . PHE B 187 ? 0.8368 0.7466 1.0164 0.1994 0.3420 -0.0517 185 PHE B CA 5633 C C . PHE B 187 ? 0.8916 0.7777 1.0829 0.2157 0.3382 -0.0507 185 PHE B C 5634 O O . PHE B 187 ? 0.9831 0.8239 1.1308 0.2104 0.3344 -0.0615 185 PHE B O 5635 C CB . PHE B 187 ? 0.8600 0.7687 1.0141 0.1833 0.3164 -0.0489 185 PHE B CB 5636 C CG . PHE B 187 ? 0.8790 0.7954 1.0038 0.1641 0.3212 -0.0538 185 PHE B CG 5637 C CD1 . PHE B 187 ? 0.8989 0.7741 0.9575 0.1476 0.3277 -0.0700 185 PHE B CD1 5638 C CD2 . PHE B 187 ? 0.8764 0.8410 1.0391 0.1610 0.3175 -0.0411 185 PHE B CD2 5639 C CE1 . PHE B 187 ? 0.8874 0.7680 0.9163 0.1294 0.3305 -0.0728 185 PHE B CE1 5640 C CE2 . PHE B 187 ? 0.8415 0.8114 0.9763 0.1424 0.3222 -0.0444 185 PHE B CE2 5641 C CZ . PHE B 187 ? 0.8560 0.7830 0.9226 0.1271 0.3288 -0.0600 185 PHE B CZ 5642 N N . GLY B 188 ? 0.8678 0.7855 1.1189 0.2346 0.3383 -0.0368 186 GLY B N 5643 C CA . GLY B 188 ? 0.9159 0.8144 1.1835 0.2515 0.3345 -0.0331 186 GLY B CA 5644 C C . GLY B 188 ? 0.9487 0.8565 1.2317 0.2528 0.3022 -0.0179 186 GLY B C 5645 O O . GLY B 188 ? 1.0353 0.9185 1.3187 0.2625 0.2952 -0.0154 186 GLY B O 5646 N N . GLY B 189 ? 0.8489 0.7912 1.1434 0.2427 0.2827 -0.0074 187 GLY B N 5647 C CA . GLY B 189 ? 0.7670 0.7219 1.0752 0.2427 0.2514 0.0077 187 GLY B CA 5648 C C . GLY B 189 ? 0.7460 0.7507 1.1171 0.2548 0.2373 0.0289 187 GLY B C 5649 O O . GLY B 189 ? 0.7139 0.7543 1.1222 0.2593 0.2489 0.0333 187 GLY B O 5650 N N . ASN B 190 ? 0.8054 0.8124 1.1869 0.2588 0.2112 0.0426 188 ASN B N 5651 C CA . ASN B 190 ? 0.7638 0.8156 1.1985 0.2678 0.1921 0.0638 188 ASN B CA 5652 C C . ASN B 190 ? 0.7286 0.8138 1.1674 0.2533 0.1645 0.0745 188 ASN B C 5653 O O . ASN B 190 ? 0.6683 0.7396 1.0826 0.2466 0.1428 0.0783 188 ASN B O 5654 C CB . ASN B 190 ? 0.7771 0.8098 1.2195 0.2815 0.1801 0.0735 188 ASN B CB 5655 C CG . ASN B 190 ? 0.6816 0.7582 1.1744 0.2899 0.1580 0.0960 188 ASN B CG 5656 O OD1 . ASN B 190 ? 0.6212 0.7435 1.1507 0.2881 0.1558 0.1034 188 ASN B OD1 5657 N ND2 . ASN B 190 ? 0.6395 0.7017 1.1330 0.2979 0.1408 0.1072 188 ASN B ND2 5658 N N . PRO B 191 ? 0.7433 0.8728 1.2136 0.2479 0.1653 0.0795 189 PRO B N 5659 C CA . PRO B 191 ? 0.6853 0.8472 1.1596 0.2322 0.1407 0.0881 189 PRO B CA 5660 C C . PRO B 191 ? 0.6636 0.8415 1.1529 0.2339 0.1076 0.1057 189 PRO B C 5661 O O . PRO B 191 ? 0.6425 0.8328 1.1197 0.2203 0.0831 0.1111 189 PRO B O 5662 C CB . PRO B 191 ? 0.7353 0.9422 1.2509 0.2295 0.1510 0.0918 189 PRO B CB 5663 C CG . PRO B 191 ? 0.7580 0.9472 1.2749 0.2406 0.1869 0.0797 189 PRO B CG 5664 C CD . PRO B 191 ? 0.7702 0.9225 1.2765 0.2564 0.1897 0.0782 189 PRO B CD 5665 N N . LYS B 192 ? 0.7206 0.8961 1.2336 0.2503 0.1074 0.1143 190 LYS B N 5666 C CA . LYS B 192 ? 0.6312 0.8213 1.1587 0.2531 0.0776 0.1320 190 LYS B CA 5667 C C . LYS B 192 ? 0.5201 0.6684 1.0045 0.2522 0.0659 0.1309 190 LYS B C 5668 O O . LYS B 192 ? 0.5053 0.6595 0.9892 0.2515 0.0404 0.1445 190 LYS B O 5669 C CB . LYS B 192 ? 0.6861 0.8951 1.2624 0.2719 0.0826 0.1435 190 LYS B CB 5670 C CG . LYS B 192 ? 0.7215 0.9635 1.3384 0.2752 0.1042 0.1410 190 LYS B CG 5671 C CD . LYS B 192 ? 0.7663 1.0164 1.4276 0.2975 0.1181 0.1481 190 LYS B CD 5672 C CE . LYS B 192 ? 0.7334 0.9934 1.4156 0.3027 0.1525 0.1371 190 LYS B CE 5673 N NZ . LYS B 192 ? 0.6207 0.8335 1.2537 0.2996 0.1791 0.1151 190 LYS B NZ 5674 N N . SER B 193 ? 0.5262 0.6317 0.9726 0.2510 0.0846 0.1146 191 SER B N 5675 C CA . SER B 193 ? 0.5836 0.6483 0.9875 0.2476 0.0751 0.1123 191 SER B CA 5676 C C . SER B 193 ? 0.6721 0.7157 1.0324 0.2320 0.0795 0.0975 191 SER B C 5677 O O . SER B 193 ? 0.7166 0.7229 1.0490 0.2320 0.1001 0.0818 191 SER B O 5678 C CB . SER B 193 ? 0.6643 0.6893 1.0631 0.2623 0.0917 0.1079 191 SER B CB 5679 O OG . SER B 193 ? 0.6472 0.6317 1.0047 0.2568 0.0841 0.1050 191 SER B OG 5680 N N . VAL B 194 ? 0.6133 0.6798 0.9665 0.2183 0.0592 0.1023 192 VAL B N 5681 C CA . VAL B 194 ? 0.5649 0.6176 0.8827 0.2043 0.0616 0.0902 192 VAL B CA 5682 C C . VAL B 194 ? 0.5693 0.6138 0.8579 0.1940 0.0367 0.0961 192 VAL B C 5683 O O . VAL B 194 ? 0.6983 0.7714 0.9974 0.1886 0.0131 0.1082 192 VAL B O 5684 C CB . VAL B 194 ? 0.5648 0.6547 0.9016 0.1956 0.0635 0.0888 192 VAL B CB 5685 C CG1 . VAL B 194 ? 0.4889 0.5648 0.7899 0.1822 0.0643 0.0779 192 VAL B CG1 5686 C CG2 . VAL B 194 ? 0.5122 0.6118 0.8762 0.2042 0.0906 0.0829 192 VAL B CG2 5687 N N . THR B 195 ? 0.4612 0.4656 0.7104 0.1899 0.0422 0.0867 193 THR B N 5688 C CA . THR B 195 ? 0.4657 0.4603 0.6853 0.1799 0.0216 0.0918 193 THR B CA 5689 C C . THR B 195 ? 0.4787 0.4695 0.6706 0.1666 0.0215 0.0816 193 THR B C 5690 O O . THR B 195 ? 0.6021 0.5681 0.7701 0.1611 0.0391 0.0646 193 THR B O 5691 C CB . THR B 195 ? 0.5398 0.4925 0.7358 0.1833 0.0244 0.0916 193 THR B CB 5692 O OG1 . THR B 195 ? 0.7161 0.6758 0.9346 0.1939 0.0162 0.1055 193 THR B OG1 5693 C CG2 . THR B 195 ? 0.4453 0.3834 0.6053 0.1708 0.0097 0.0936 193 THR B CG2 5694 N N . LEU B 196 ? 0.4577 0.4713 0.6405 0.1536 -0.0011 0.0865 194 LEU B N 5695 C CA . LEU B 196 ? 0.5162 0.5245 0.6621 0.1340 -0.0053 0.0722 194 LEU B CA 5696 C C . LEU B 196 ? 0.5043 0.4830 0.6119 0.1265 -0.0106 0.0688 194 LEU B C 5697 O O . LEU B 196 ? 0.6139 0.5921 0.7198 0.1293 -0.0234 0.0813 194 LEU B O 5698 C CB . LEU B 196 ? 0.4403 0.4828 0.5922 0.1230 -0.0252 0.0766 194 LEU B CB 5699 C CG . LEU B 196 ? 0.4766 0.5562 0.6687 0.1254 -0.0256 0.0821 194 LEU B CG 5700 C CD1 . LEU B 196 ? 0.4816 0.5847 0.6676 0.1097 -0.0464 0.0828 194 LEU B CD1 5701 C CD2 . LEU B 196 ? 0.4372 0.5129 0.6372 0.1267 -0.0011 0.0705 194 LEU B CD2 5702 N N . PHE B 197 ? 0.4574 0.4125 0.5348 0.1162 -0.0011 0.0532 195 PHE B N 5703 C CA . PHE B 197 ? 0.4441 0.3792 0.4882 0.1055 -0.0080 0.0496 195 PHE B CA 5704 C C . PHE B 197 ? 0.5232 0.4578 0.5420 0.0896 -0.0103 0.0362 195 PHE B C 5705 O O . PHE B 197 ? 0.5540 0.4880 0.5707 0.0859 -0.0012 0.0262 195 PHE B O 5706 C CB . PHE B 197 ? 0.6072 0.5056 0.6400 0.1101 0.0030 0.0487 195 PHE B CB 5707 C CG . PHE B 197 ? 0.5669 0.4382 0.5859 0.1077 0.0216 0.0328 195 PHE B CG 5708 C CD1 . PHE B 197 ? 0.5372 0.4153 0.5696 0.1131 0.0353 0.0260 195 PHE B CD1 5709 C CD2 . PHE B 197 ? 0.5599 0.3978 0.5513 0.0990 0.0257 0.0251 195 PHE B CD2 5710 C CE1 . PHE B 197 ? 0.5484 0.3980 0.5613 0.1099 0.0531 0.0108 195 PHE B CE1 5711 C CE2 . PHE B 197 ? 0.5857 0.3955 0.5592 0.0949 0.0409 0.0100 195 PHE B CE2 5712 C CZ . PHE B 197 ? 0.5142 0.3285 0.4957 0.1005 0.0549 0.0024 195 PHE B CZ 5713 N N . GLY B 198 ? 0.4924 0.4272 0.4926 0.0806 -0.0221 0.0371 196 GLY B N 5714 C CA . GLY B 198 ? 0.3032 0.2364 0.2824 0.0675 -0.0249 0.0262 196 GLY B CA 5715 C C . GLY B 198 ? 0.4457 0.3751 0.4076 0.0606 -0.0331 0.0281 196 GLY B C 5716 O O . GLY B 198 ? 0.5235 0.4523 0.4862 0.0646 -0.0374 0.0385 196 GLY B O 5717 N N . GLU B 199 ? 0.5146 0.4423 0.4617 0.0504 -0.0348 0.0190 197 GLU B N 5718 C CA . GLU B 199 ? 0.5075 0.4326 0.4411 0.0436 -0.0390 0.0193 197 GLU B CA 5719 C C . GLU B 199 ? 0.5693 0.5101 0.4983 0.0381 -0.0466 0.0140 197 GLU B C 5720 O O . GLU B 199 ? 0.4661 0.4107 0.3970 0.0358 -0.0472 0.0075 197 GLU B O 5721 C CB . GLU B 199 ? 0.4739 0.3776 0.3973 0.0368 -0.0323 0.0138 197 GLU B CB 5722 C CG . GLU B 199 ? 0.4595 0.3623 0.3746 0.0289 -0.0347 0.0155 197 GLU B CG 5723 C CD . GLU B 199 ? 0.5519 0.4668 0.4641 0.0217 -0.0395 0.0085 197 GLU B CD 5724 O OE1 . GLU B 199 ? 0.5718 0.4899 0.4845 0.0210 -0.0414 0.0020 197 GLU B OE1 5725 O OE2 . GLU B 199 ? 0.6051 0.5265 0.5158 0.0170 -0.0408 0.0103 197 GLU B OE2 5726 N N . SER B 200 ? 0.5357 0.4835 0.4575 0.0361 -0.0511 0.0170 198 SER B N 5727 C CA . SER B 200 ? 0.5014 0.4609 0.4180 0.0327 -0.0565 0.0115 198 SER B CA 5728 C C . SER B 200 ? 0.4453 0.4160 0.3669 0.0345 -0.0635 0.0101 198 SER B C 5729 O O . SER B 200 ? 0.5071 0.4854 0.4311 0.0379 -0.0687 0.0169 198 SER B O 5730 C CB . SER B 200 ? 0.6217 0.5775 0.5372 0.0270 -0.0546 0.0034 198 SER B CB 5731 O OG . SER B 200 ? 0.7487 0.7117 0.6599 0.0250 -0.0555 0.0012 198 SER B OG 5732 N N . ALA B 201 ? 0.3358 0.3077 0.2597 0.0314 -0.0647 0.0026 199 ALA B N 5733 C CA . ALA B 201 ? 0.3195 0.3008 0.2495 0.0309 -0.0710 0.0017 199 ALA B CA 5734 C C . ALA B 201 ? 0.3885 0.3741 0.3339 0.0350 -0.0683 0.0076 199 ALA B C 5735 O O . ALA B 201 ? 0.4231 0.4218 0.3794 0.0354 -0.0743 0.0110 199 ALA B O 5736 C CB . ALA B 201 ? 0.3780 0.3565 0.3064 0.0260 -0.0725 -0.0061 199 ALA B CB 5737 N N . GLY B 202 ? 0.3309 0.3055 0.2784 0.0379 -0.0590 0.0085 200 GLY B N 5738 C CA . GLY B 202 ? 0.4196 0.3953 0.3826 0.0446 -0.0527 0.0138 200 GLY B CA 5739 C C . GLY B 202 ? 0.4904 0.4751 0.4630 0.0516 -0.0582 0.0250 200 GLY B C 5740 O O . GLY B 202 ? 0.5153 0.5150 0.5076 0.0563 -0.0610 0.0313 200 GLY B O 5741 N N . ALA B 203 ? 0.4768 0.4541 0.4364 0.0516 -0.0605 0.0288 201 ALA B N 5742 C CA . ALA B 203 ? 0.4731 0.4573 0.4362 0.0570 -0.0678 0.0413 201 ALA B CA 5743 C C . ALA B 203 ? 0.3692 0.3731 0.3321 0.0535 -0.0819 0.0435 201 ALA B C 5744 O O . ALA B 203 ? 0.4609 0.4783 0.4380 0.0581 -0.0902 0.0540 201 ALA B O 5745 C CB . ALA B 203 ? 0.3687 0.3392 0.3141 0.0555 -0.0659 0.0456 201 ALA B CB 5746 N N . ALA B 204 ? 0.4082 0.4130 0.3559 0.0454 -0.0852 0.0337 202 ALA B N 5747 C CA . ALA B 204 ? 0.4115 0.4296 0.3546 0.0401 -0.0984 0.0329 202 ALA B CA 5748 C C . ALA B 204 ? 0.4336 0.4670 0.4016 0.0400 -0.1024 0.0346 202 ALA B C 5749 O O . ALA B 204 ? 0.5506 0.5999 0.5258 0.0376 -0.1153 0.0406 202 ALA B O 5750 C CB . ALA B 204 ? 0.3600 0.3712 0.2828 0.0327 -0.0983 0.0203 202 ALA B CB 5751 N N . SER B 205 ? 0.3926 0.4218 0.3731 0.0414 -0.0913 0.0298 203 SER B N 5752 C CA . SER B 205 ? 0.4539 0.4984 0.4604 0.0417 -0.0907 0.0323 203 SER B CA 5753 C C . SER B 205 ? 0.4999 0.5591 0.5322 0.0515 -0.0924 0.0460 203 SER B C 5754 O O . SER B 205 ? 0.4436 0.5253 0.4969 0.0500 -0.1027 0.0529 203 SER B O 5755 C CB . SER B 205 ? 0.4502 0.4845 0.4597 0.0412 -0.0761 0.0249 203 SER B CB 5756 O OG . SER B 205 ? 0.3744 0.4011 0.3681 0.0320 -0.0782 0.0153 203 SER B OG 5757 N N . VAL B 206 ? 0.5093 0.5555 0.5419 0.0611 -0.0832 0.0505 204 VAL B N 5758 C CA . VAL B 206 ? 0.4585 0.5151 0.5171 0.0729 -0.0840 0.0646 204 VAL B CA 5759 C C . VAL B 206 ? 0.4312 0.5058 0.4913 0.0712 -0.1046 0.0765 204 VAL B C 5760 O O . VAL B 206 ? 0.4527 0.5515 0.5429 0.0752 -0.1130 0.0873 204 VAL B O 5761 C CB . VAL B 206 ? 0.4201 0.4528 0.4722 0.0823 -0.0725 0.0675 204 VAL B CB 5762 C CG1 . VAL B 206 ? 0.4474 0.4887 0.5233 0.0952 -0.0775 0.0849 204 VAL B CG1 5763 C CG2 . VAL B 206 ? 0.3400 0.3559 0.3942 0.0849 -0.0526 0.0569 204 VAL B CG2 5764 N N . SER B 207 ? 0.4445 0.5086 0.4718 0.0644 -0.1127 0.0746 205 SER B N 5765 C CA . SER B 207 ? 0.4927 0.5672 0.5078 0.0602 -0.1257 0.0793 205 SER B CA 5766 C C . SER B 207 ? 0.4571 0.5517 0.4811 0.0509 -0.1352 0.0743 205 SER B C 5767 O O . SER B 207 ? 0.5609 0.6695 0.5919 0.0502 -0.1455 0.0806 205 SER B O 5768 C CB . SER B 207 ? 0.4198 0.4791 0.3956 0.0537 -0.1254 0.0747 205 SER B CB 5769 O OG . SER B 207 ? 0.4528 0.5074 0.4119 0.0434 -0.1229 0.0602 205 SER B OG 5770 N N . LEU B 208 ? 0.4274 0.5216 0.4511 0.0430 -0.1326 0.0634 206 LEU B N 5771 C CA . LEU B 208 ? 0.3709 0.4818 0.4054 0.0330 -0.1410 0.0593 206 LEU B CA 5772 C C . LEU B 208 ? 0.4429 0.5782 0.5221 0.0384 -0.1419 0.0697 206 LEU B C 5773 O O . LEU B 208 ? 0.4905 0.6445 0.5842 0.0315 -0.1515 0.0716 206 LEU B O 5774 C CB . LEU B 208 ? 0.3824 0.4829 0.4038 0.0229 -0.1376 0.0456 206 LEU B CB 5775 C CG . LEU B 208 ? 0.4673 0.5489 0.4504 0.0161 -0.1359 0.0340 206 LEU B CG 5776 C CD1 . LEU B 208 ? 0.3862 0.4531 0.3609 0.0103 -0.1296 0.0219 206 LEU B CD1 5777 C CD2 . LEU B 208 ? 0.4693 0.5576 0.4399 0.0080 -0.1462 0.0316 206 LEU B CD2 5778 N N . HIS B 209 ? 0.3706 0.5058 0.4732 0.0511 -0.1304 0.0766 207 HIS B N 5779 C CA . HIS B 209 ? 0.3967 0.5561 0.5453 0.0593 -0.1258 0.0865 207 HIS B CA 5780 C C . HIS B 209 ? 0.5885 0.7583 0.7484 0.0663 -0.1341 0.0978 207 HIS B C 5781 O O . HIS B 209 ? 0.6605 0.8548 0.8576 0.0699 -0.1352 0.1057 207 HIS B O 5782 C CB . HIS B 209 ? 0.3473 0.4976 0.5129 0.0720 -0.1038 0.0861 207 HIS B CB 5783 C CG . HIS B 209 ? 0.4078 0.5515 0.5677 0.0633 -0.0900 0.0723 207 HIS B CG 5784 N ND1 . HIS B 209 ? 0.4096 0.5777 0.5970 0.0562 -0.0899 0.0734 207 HIS B ND1 5785 C CD2 . HIS B 209 ? 0.3093 0.4250 0.4388 0.0596 -0.0770 0.0586 207 HIS B CD2 5786 C CE1 . HIS B 209 ? 0.4158 0.5689 0.5873 0.0488 -0.0767 0.0613 207 HIS B CE1 5787 N NE2 . HIS B 209 ? 0.3912 0.5130 0.5278 0.0511 -0.0696 0.0524 207 HIS B NE2 5788 N N . LEU B 210 ? 0.5605 0.7126 0.6892 0.0677 -0.1398 0.0993 208 LEU B N 5789 C CA . LEU B 210 ? 0.5554 0.7157 0.6892 0.0724 -0.1508 0.1108 208 LEU B CA 5790 C C . LEU B 210 ? 0.6644 0.8428 0.7944 0.0589 -0.1679 0.1095 208 LEU B C 5791 O O . LEU B 210 ? 0.7708 0.9656 0.9172 0.0611 -0.1792 0.1202 208 LEU B O 5792 C CB . LEU B 210 ? 0.4956 0.6312 0.5947 0.0761 -0.1515 0.1136 208 LEU B CB 5793 C CG . LEU B 210 ? 0.4802 0.5940 0.5818 0.0891 -0.1360 0.1168 208 LEU B CG 5794 C CD1 . LEU B 210 ? 0.4184 0.5067 0.4786 0.0860 -0.1355 0.1152 208 LEU B CD1 5795 C CD2 . LEU B 210 ? 0.4961 0.6149 0.6301 0.1043 -0.1334 0.1304 208 LEU B CD2 5796 N N . LEU B 211 ? 0.5678 0.7415 0.6765 0.0449 -0.1699 0.0964 209 LEU B N 5797 C CA . LEU B 211 ? 0.5083 0.6921 0.6067 0.0304 -0.1850 0.0922 209 LEU B CA 5798 C C . LEU B 211 ? 0.5685 0.7760 0.7012 0.0223 -0.1879 0.0919 209 LEU B C 5799 O O . LEU B 211 ? 0.7142 0.9369 0.8526 0.0126 -0.2021 0.0940 209 LEU B O 5800 C CB . LEU B 211 ? 0.5579 0.7193 0.6111 0.0196 -0.1842 0.0771 209 LEU B CB 5801 C CG . LEU B 211 ? 0.5369 0.6759 0.5511 0.0233 -0.1807 0.0750 209 LEU B CG 5802 C CD1 . LEU B 211 ? 0.5013 0.6249 0.4799 0.0116 -0.1793 0.0592 209 LEU B CD1 5803 C CD2 . LEU B 211 ? 0.5431 0.6872 0.5511 0.0267 -0.1923 0.0870 209 LEU B CD2 5804 N N . SER B 212 ? 0.5795 0.7901 0.7343 0.0250 -0.1746 0.0896 210 SER B N 5805 C CA . SER B 212 ? 0.6508 0.8821 0.8349 0.0149 -0.1753 0.0886 210 SER B CA 5806 C C . SER B 212 ? 0.5861 0.8501 0.8223 0.0225 -0.1747 0.1028 210 SER B C 5807 O O . SER B 212 ? 0.6774 0.9460 0.9389 0.0383 -0.1608 0.1096 210 SER B O 5808 C CB . SER B 212 ? 0.7025 0.9240 0.8867 0.0128 -0.1612 0.0805 210 SER B CB 5809 O OG . SER B 212 ? 0.7734 1.0161 0.9887 0.0029 -0.1602 0.0816 210 SER B OG 5810 N N . PRO B 213 ? 0.5440 0.8302 0.7971 0.0115 -0.1887 0.1066 211 PRO B N 5811 C CA . PRO B 213 ? 0.5633 0.8840 0.8678 0.0175 -0.1902 0.1207 211 PRO B CA 5812 C C . PRO B 213 ? 0.6021 0.9396 0.9488 0.0239 -0.1696 0.1231 211 PRO B C 5813 O O . PRO B 213 ? 0.6355 0.9933 1.0231 0.0383 -0.1604 0.1338 211 PRO B O 5814 C CB . PRO B 213 ? 0.5436 0.8806 0.8508 -0.0015 -0.2093 0.1204 211 PRO B CB 5815 C CG . PRO B 213 ? 0.6163 0.9229 0.8678 -0.0145 -0.2184 0.1065 211 PRO B CG 5816 C CD . PRO B 213 ? 0.6025 0.8816 0.8290 -0.0086 -0.2019 0.0965 211 PRO B CD 5817 N N . GLY B 214 ? 0.4849 0.8131 0.8212 0.0135 -0.1612 0.1130 212 GLY B N 5818 C CA . GLY B 214 ? 0.4263 0.7669 0.7958 0.0187 -0.1390 0.1142 212 GLY B CA 5819 C C . GLY B 214 ? 0.4333 0.7600 0.8046 0.0398 -0.1190 0.1152 212 GLY B C 5820 O O . GLY B 214 ? 0.4874 0.8262 0.8913 0.0493 -0.0968 0.1176 212 GLY B O 5821 N N . SER B 215 ? 0.4035 0.7027 0.7383 0.0470 -0.1247 0.1125 213 SER B N 5822 C CA . SER B 215 ? 0.4824 0.7632 0.8151 0.0660 -0.1067 0.1130 213 SER B CA 5823 C C . SER B 215 ? 0.5525 0.8368 0.9013 0.0822 -0.1081 0.1236 213 SER B C 5824 O O . SER B 215 ? 0.6190 0.8863 0.9690 0.0989 -0.0927 0.1246 213 SER B O 5825 C CB . SER B 215 ? 0.5180 0.7639 0.8009 0.0636 -0.1097 0.1038 213 SER B CB 5826 O OG . SER B 215 ? 0.5107 0.7501 0.7777 0.0500 -0.1087 0.0943 213 SER B OG 5827 N N . HIS B 216 ? 0.4910 0.7949 0.8506 0.0769 -0.1270 0.1314 214 HIS B N 5828 C CA . HIS B 216 ? 0.6282 0.9354 1.0002 0.0905 -0.1330 0.1432 214 HIS B CA 5829 C C . HIS B 216 ? 0.5998 0.9150 1.0137 0.1107 -0.1116 0.1496 214 HIS B C 5830 O O . HIS B 216 ? 0.5802 0.8765 0.9895 0.1261 -0.1057 0.1536 214 HIS B O 5831 C CB . HIS B 216 ? 0.7457 1.0784 1.1292 0.0803 -0.1565 0.1515 214 HIS B CB 5832 C CG . HIS B 216 ? 0.8525 1.1928 1.2534 0.0938 -0.1646 0.1658 214 HIS B CG 5833 N ND1 . HIS B 216 ? 0.8584 1.1762 1.2246 0.0975 -0.1757 0.1692 214 HIS B ND1 5834 C CD2 . HIS B 216 ? 0.8800 1.2483 1.3305 0.1048 -0.1631 0.1785 214 HIS B CD2 5835 C CE1 . HIS B 216 ? 0.8772 1.2076 1.2699 0.1099 -0.1817 0.1840 214 HIS B CE1 5836 N NE2 . HIS B 216 ? 0.9293 1.2906 1.3741 0.1150 -0.1745 0.1897 214 HIS B NE2 5837 N N . SER B 217 ? 0.5881 0.9293 1.0414 0.1101 -0.0985 0.1499 215 SER B N 5838 C CA . SER B 217 ? 0.6557 1.0057 1.1496 0.1289 -0.0750 0.1541 215 SER B CA 5839 C C . SER B 217 ? 0.6040 0.9279 1.0870 0.1383 -0.0451 0.1427 215 SER B C 5840 O O . SER B 217 ? 0.5464 0.8740 1.0579 0.1522 -0.0209 0.1423 215 SER B O 5841 C CB . SER B 217 ? 0.7401 1.1320 1.2824 0.1237 -0.0724 0.1598 215 SER B CB 5842 O OG . SER B 217 ? 0.8103 1.2091 1.3462 0.1061 -0.0685 0.1513 215 SER B OG 5843 N N . LEU B 218 ? 0.6128 0.9091 1.0533 0.1308 -0.0459 0.1328 216 LEU B N 5844 C CA . LEU B 218 ? 0.5728 0.8467 1.0014 0.1359 -0.0185 0.1211 216 LEU B CA 5845 C C . LEU B 218 ? 0.5576 0.7894 0.9559 0.1490 -0.0083 0.1159 216 LEU B C 5846 O O . LEU B 218 ? 0.6613 0.8690 1.0446 0.1535 0.0149 0.1049 216 LEU B O 5847 C CB . LEU B 218 ? 0.4859 0.7608 0.8942 0.1178 -0.0221 0.1133 216 LEU B CB 5848 C CG . LEU B 218 ? 0.3770 0.6882 0.8101 0.1007 -0.0317 0.1167 216 LEU B CG 5849 C CD1 . LEU B 218 ? 0.4879 0.7919 0.8958 0.0830 -0.0340 0.1081 216 LEU B CD1 5850 C CD2 . LEU B 218 ? 0.3874 0.7245 0.8663 0.1075 -0.0092 0.1199 216 LEU B CD2 5851 N N . PHE B 219 ? 0.4941 0.7149 0.8808 0.1538 -0.0250 0.1234 217 PHE B N 5852 C CA . PHE B 219 ? 0.5248 0.7054 0.8850 0.1648 -0.0164 0.1200 217 PHE B CA 5853 C C . PHE B 219 ? 0.5829 0.7607 0.9460 0.1726 -0.0323 0.1325 217 PHE B C 5854 O O . PHE B 219 ? 0.5684 0.7759 0.9538 0.1701 -0.0496 0.1434 217 PHE B O 5855 C CB . PHE B 219 ? 0.4980 0.6517 0.8128 0.1548 -0.0206 0.1113 217 PHE B CB 5856 C CG . PHE B 219 ? 0.4379 0.5976 0.7286 0.1413 -0.0496 0.1164 217 PHE B CG 5857 C CD1 . PHE B 219 ? 0.4477 0.6347 0.7423 0.1261 -0.0653 0.1167 217 PHE B CD1 5858 C CD2 . PHE B 219 ? 0.4906 0.6254 0.7511 0.1426 -0.0594 0.1197 217 PHE B CD2 5859 C CE1 . PHE B 219 ? 0.4718 0.6585 0.7369 0.1129 -0.0892 0.1178 217 PHE B CE1 5860 C CE2 . PHE B 219 ? 0.5350 0.6728 0.7679 0.1297 -0.0824 0.1222 217 PHE B CE2 5861 C CZ . PHE B 219 ? 0.4269 0.5894 0.6605 0.1152 -0.0966 0.1202 217 PHE B CZ 5862 N N . THR B 220 ? 0.6352 0.7763 0.9747 0.1808 -0.0267 0.1312 218 THR B N 5863 C CA . THR B 220 ? 0.6436 0.7779 0.9877 0.1905 -0.0374 0.1437 218 THR B CA 5864 C C . THR B 220 ? 0.6656 0.7749 0.9670 0.1833 -0.0536 0.1465 218 THR B C 5865 O O . THR B 220 ? 0.6929 0.8138 0.9892 0.1794 -0.0753 0.1577 218 THR B O 5866 C CB . THR B 220 ? 0.7050 0.8170 1.0657 0.2090 -0.0145 0.1419 218 THR B CB 5867 O OG1 . THR B 220 ? 0.7483 0.8836 1.1475 0.2157 0.0034 0.1386 218 THR B OG1 5868 C CG2 . THR B 220 ? 0.6100 0.7171 0.9805 0.2200 -0.0267 0.1571 218 THR B CG2 5869 N N . ARG B 221 ? 0.6482 0.7228 0.9178 0.1811 -0.0421 0.1364 219 ARG B N 5870 C CA . ARG B 221 ? 0.6139 0.6639 0.8435 0.1737 -0.0540 0.1388 219 ARG B CA 5871 C C . ARG B 221 ? 0.5830 0.6220 0.7813 0.1607 -0.0515 0.1269 219 ARG B C 5872 O O . ARG B 221 ? 0.6656 0.7113 0.8721 0.1589 -0.0394 0.1169 219 ARG B O 5873 C CB . ARG B 221 ? 0.5968 0.6097 0.8185 0.1845 -0.0440 0.1415 219 ARG B CB 5874 C CG . ARG B 221 ? 0.7047 0.7223 0.9380 0.1926 -0.0579 0.1583 219 ARG B CG 5875 C CD . ARG B 221 ? 0.7922 0.7707 1.0193 0.2033 -0.0472 0.1609 219 ARG B CD 5876 N NE . ARG B 221 ? 0.7991 0.7695 1.0542 0.2173 -0.0250 0.1537 219 ARG B NE 5877 C CZ . ARG B 221 ? 0.7358 0.7245 1.0298 0.2318 -0.0233 0.1620 219 ARG B CZ 5878 N NH1 . ARG B 221 ? 0.7712 0.7874 1.0810 0.2335 -0.0443 0.1784 219 ARG B NH1 5879 N NH2 . ARG B 221 ? 0.6933 0.6724 1.0091 0.2441 -0.0003 0.1534 219 ARG B NH2 5880 N N . ALA B 222 ? 0.5443 0.5663 0.7068 0.1519 -0.0622 0.1288 220 ALA B N 5881 C CA . ALA B 222 ? 0.4273 0.4429 0.5607 0.1391 -0.0628 0.1194 220 ALA B CA 5882 C C . ALA B 222 ? 0.3978 0.3800 0.4972 0.1352 -0.0603 0.1193 220 ALA B C 5883 O O . ALA B 222 ? 0.5584 0.5313 0.6457 0.1352 -0.0688 0.1291 220 ALA B O 5884 C CB . ALA B 222 ? 0.5127 0.5560 0.6372 0.1262 -0.0824 0.1200 220 ALA B CB 5885 N N . ILE B 223 ? 0.4797 0.4438 0.5596 0.1284 -0.0479 0.1050 221 ILE B N 5886 C CA . ILE B 223 ? 0.5682 0.5026 0.6149 0.1199 -0.0440 0.1003 221 ILE B CA 5887 C C . ILE B 223 ? 0.6299 0.5713 0.6496 0.1029 -0.0487 0.0874 221 ILE B C 5888 O O . ILE B 223 ? 0.5518 0.4979 0.5708 0.0974 -0.0428 0.0732 221 ILE B O 5889 C CB . ILE B 223 ? 0.4966 0.3977 0.5410 0.1237 -0.0239 0.0900 221 ILE B CB 5890 C CG1 . ILE B 223 ? 0.5337 0.4201 0.6025 0.1420 -0.0175 0.1030 221 ILE B CG1 5891 C CG2 . ILE B 223 ? 0.4497 0.3249 0.4606 0.1099 -0.0211 0.0821 221 ILE B CG2 5892 C CD1 . ILE B 223 ? 0.5779 0.4277 0.6441 0.1471 0.0042 0.0908 221 ILE B CD1 5893 N N . LEU B 224 ? 0.6324 0.5732 0.6297 0.0951 -0.0584 0.0928 222 LEU B N 5894 C CA . LEU B 224 ? 0.5619 0.5118 0.5373 0.0815 -0.0631 0.0822 222 LEU B CA 5895 C C . LEU B 224 ? 0.5306 0.4602 0.4825 0.0726 -0.0562 0.0773 222 LEU B C 5896 O O . LEU B 224 ? 0.6527 0.5762 0.5908 0.0705 -0.0595 0.0875 222 LEU B O 5897 C CB . LEU B 224 ? 0.5725 0.5435 0.5405 0.0786 -0.0798 0.0908 222 LEU B CB 5898 C CG . LEU B 224 ? 0.6348 0.6323 0.6248 0.0825 -0.0915 0.0954 222 LEU B CG 5899 C CD1 . LEU B 224 ? 0.7328 0.7349 0.7515 0.0967 -0.0945 0.1125 222 LEU B CD1 5900 C CD2 . LEU B 224 ? 0.5865 0.5988 0.5561 0.0733 -0.1073 0.0969 222 LEU B CD2 5901 N N . GLN B 225 ? 0.5559 0.4768 0.5034 0.0663 -0.0474 0.0628 223 GLN B N 5902 C CA . GLN B 225 ? 0.5651 0.4707 0.4957 0.0564 -0.0418 0.0578 223 GLN B CA 5903 C C . GLN B 225 ? 0.6320 0.5527 0.5503 0.0469 -0.0459 0.0500 223 GLN B C 5904 O O . GLN B 225 ? 0.6549 0.5839 0.5758 0.0442 -0.0465 0.0391 223 GLN B O 5905 C CB . GLN B 225 ? 0.4867 0.3713 0.4189 0.0542 -0.0310 0.0475 223 GLN B CB 5906 C CG . GLN B 225 ? 0.5973 0.4607 0.5402 0.0647 -0.0233 0.0530 223 GLN B CG 5907 C CD . GLN B 225 ? 0.5795 0.4223 0.5209 0.0635 -0.0118 0.0398 223 GLN B CD 5908 O OE1 . GLN B 225 ? 0.5932 0.4250 0.5467 0.0745 -0.0034 0.0402 223 GLN B OE1 5909 N NE2 . GLN B 225 ? 0.5409 0.3786 0.4673 0.0503 -0.0111 0.0283 223 GLN B NE2 5910 N N . SER B 226 ? 0.5556 0.4789 0.4605 0.0424 -0.0475 0.0562 224 SER B N 5911 C CA . SER B 226 ? 0.5305 0.4660 0.4250 0.0349 -0.0478 0.0486 224 SER B CA 5912 C C . SER B 226 ? 0.5306 0.4831 0.4249 0.0363 -0.0552 0.0412 224 SER B C 5913 O O . SER B 226 ? 0.5386 0.4961 0.4340 0.0327 -0.0541 0.0303 224 SER B O 5914 C CB . SER B 226 ? 0.4814 0.4109 0.3793 0.0275 -0.0413 0.0391 224 SER B CB 5915 O OG . SER B 226 ? 0.5188 0.4313 0.4157 0.0230 -0.0352 0.0447 224 SER B OG 5916 N N . GLY B 227 ? 0.5281 0.4887 0.4220 0.0410 -0.0639 0.0479 225 GLY B N 5917 C CA . GLY B 227 ? 0.5166 0.4911 0.4107 0.0403 -0.0721 0.0411 225 GLY B CA 5918 C C . GLY B 227 ? 0.5648 0.5500 0.4615 0.0438 -0.0842 0.0505 225 GLY B C 5919 O O . GLY B 227 ? 0.5951 0.5793 0.5050 0.0505 -0.0861 0.0620 225 GLY B O 5920 N N . SER B 228 ? 0.4390 0.4340 0.3237 0.0392 -0.0931 0.0456 226 SER B N 5921 C CA . SER B 228 ? 0.5317 0.5422 0.4235 0.0384 -0.1046 0.0523 226 SER B CA 5922 C C . SER B 228 ? 0.5156 0.5346 0.4000 0.0294 -0.1076 0.0400 226 SER B C 5923 O O . SER B 228 ? 0.4493 0.4601 0.3172 0.0252 -0.1018 0.0289 226 SER B O 5924 C CB . SER B 228 ? 0.5136 0.5261 0.3933 0.0392 -0.1085 0.0662 226 SER B CB 5925 O OG . SER B 228 ? 0.5010 0.5049 0.3513 0.0336 -0.1032 0.0629 226 SER B OG 5926 N N . PHE B 229 ? 0.5268 0.5615 0.4238 0.0276 -0.1166 0.0422 227 PHE B N 5927 C CA . PHE B 229 ? 0.5760 0.6154 0.4674 0.0190 -0.1201 0.0306 227 PHE B CA 5928 C C . PHE B 229 ? 0.6412 0.6751 0.5017 0.0127 -0.1198 0.0242 227 PHE B C 5929 O O . PHE B 229 ? 0.7051 0.7346 0.5562 0.0061 -0.1193 0.0117 227 PHE B O 5930 C CB . PHE B 229 ? 0.5964 0.6534 0.5083 0.0182 -0.1310 0.0347 227 PHE B CB 5931 C CG . PHE B 229 ? 0.7065 0.7734 0.6146 0.0203 -0.1415 0.0450 227 PHE B CG 5932 C CD1 . PHE B 229 ? 0.7228 0.7877 0.6037 0.0137 -0.1470 0.0407 227 PHE B CD1 5933 C CD2 . PHE B 229 ? 0.7972 0.8739 0.7296 0.0292 -0.1463 0.0586 227 PHE B CD2 5934 C CE1 . PHE B 229 ? 0.7837 0.8555 0.6588 0.0149 -0.1583 0.0505 227 PHE B CE1 5935 C CE2 . PHE B 229 ? 0.7901 0.8744 0.7203 0.0311 -0.1574 0.0689 227 PHE B CE2 5936 C CZ . PHE B 229 ? 0.8021 0.8837 0.7024 0.0234 -0.1642 0.0652 227 PHE B CZ 5937 N N . ASN B 230 ? 0.5200 0.5523 0.3636 0.0150 -0.1196 0.0326 228 ASN B N 5938 C CA . ASN B 230 ? 0.4965 0.5234 0.3074 0.0095 -0.1183 0.0266 228 ASN B CA 5939 C C . ASN B 230 ? 0.4397 0.4517 0.2332 0.0087 -0.1050 0.0187 228 ASN B C 5940 O O . ASN B 230 ? 0.5448 0.5509 0.3100 0.0050 -0.1004 0.0127 228 ASN B O 5941 C CB . ASN B 230 ? 0.4512 0.4819 0.2468 0.0117 -0.1251 0.0392 228 ASN B CB 5942 C CG . ASN B 230 ? 0.6269 0.6518 0.4248 0.0186 -0.1196 0.0533 228 ASN B CG 5943 O OD1 . ASN B 230 ? 0.6487 0.6725 0.4710 0.0241 -0.1169 0.0582 228 ASN B OD1 5944 N ND2 . ASN B 230 ? 0.7442 0.7626 0.5148 0.0178 -0.1175 0.0599 228 ASN B ND2 5945 N N . ALA B 231 ? 0.4530 0.4584 0.2624 0.0135 -0.0984 0.0183 229 ALA B N 5946 C CA . ALA B 231 ? 0.5377 0.5306 0.3352 0.0153 -0.0865 0.0091 229 ALA B CA 5947 C C . ALA B 231 ? 0.5803 0.5685 0.3704 0.0116 -0.0845 -0.0073 229 ALA B C 5948 O O . ALA B 231 ? 0.6126 0.6048 0.4154 0.0081 -0.0917 -0.0112 229 ALA B O 5949 C CB . ALA B 231 ? 0.4755 0.4648 0.2939 0.0220 -0.0825 0.0105 229 ALA B CB 5950 N N . PRO B 232 ? 0.5331 0.5118 0.3024 0.0130 -0.0736 -0.0168 230 PRO B N 5951 C CA . PRO B 232 ? 0.5850 0.5550 0.3449 0.0109 -0.0706 -0.0329 230 PRO B CA 5952 C C . PRO B 232 ? 0.6353 0.6012 0.4193 0.0142 -0.0722 -0.0403 230 PRO B C 5953 O O . PRO B 232 ? 0.6424 0.5999 0.4225 0.0112 -0.0734 -0.0510 230 PRO B O 5954 C CB . PRO B 232 ? 0.4799 0.4420 0.2151 0.0152 -0.0548 -0.0403 230 PRO B CB 5955 C CG . PRO B 232 ? 0.4917 0.4606 0.2353 0.0201 -0.0484 -0.0285 230 PRO B CG 5956 C CD . PRO B 232 ? 0.4659 0.4412 0.2194 0.0173 -0.0619 -0.0129 230 PRO B CD 5957 N N . TRP B 233 ? 0.5365 0.5070 0.3432 0.0194 -0.0726 -0.0344 231 TRP B N 5958 C CA . TRP B 233 ? 0.4182 0.3855 0.2464 0.0212 -0.0746 -0.0393 231 TRP B CA 5959 C C . TRP B 233 ? 0.5009 0.4750 0.3484 0.0158 -0.0835 -0.0328 231 TRP B C 5960 O O . TRP B 233 ? 0.6217 0.5924 0.4837 0.0154 -0.0849 -0.0357 231 TRP B O 5961 C CB . TRP B 233 ? 0.4242 0.3944 0.2691 0.0274 -0.0679 -0.0366 231 TRP B CB 5962 C CG . TRP B 233 ? 0.5304 0.5084 0.3809 0.0273 -0.0667 -0.0240 231 TRP B CG 5963 C CD1 . TRP B 233 ? 0.4617 0.4427 0.3039 0.0277 -0.0585 -0.0184 231 TRP B CD1 5964 C CD2 . TRP B 233 ? 0.5484 0.5296 0.4130 0.0268 -0.0727 -0.0155 231 TRP B CD2 5965 N NE1 . TRP B 233 ? 0.4145 0.3976 0.2644 0.0273 -0.0603 -0.0068 231 TRP B NE1 5966 C CE2 . TRP B 233 ? 0.5110 0.4941 0.3749 0.0277 -0.0683 -0.0055 231 TRP B CE2 5967 C CE3 . TRP B 233 ? 0.5551 0.5372 0.4335 0.0255 -0.0792 -0.0152 231 TRP B CE3 5968 C CZ2 . TRP B 233 ? 0.4665 0.4498 0.3430 0.0291 -0.0705 0.0034 231 TRP B CZ2 5969 C CZ3 . TRP B 233 ? 0.5570 0.5424 0.4478 0.0271 -0.0803 -0.0065 231 TRP B CZ3 5970 C CH2 . TRP B 233 ? 0.3875 0.3723 0.2775 0.0295 -0.0758 0.0022 231 TRP B CH2 5971 N N . ALA B 234 ? 0.4997 0.4841 0.3475 0.0123 -0.0893 -0.0235 232 ALA B N 5972 C CA . ALA B 234 ? 0.4639 0.4583 0.3334 0.0108 -0.0958 -0.0162 232 ALA B CA 5973 C C . ALA B 234 ? 0.5241 0.5203 0.3988 0.0036 -0.1025 -0.0207 232 ALA B C 5974 O O . ALA B 234 ? 0.7077 0.7053 0.5994 0.0028 -0.1038 -0.0203 232 ALA B O 5975 C CB . ALA B 234 ? 0.4286 0.4346 0.3010 0.0125 -0.1006 -0.0033 232 ALA B CB 5976 N N . VAL B 235 ? 0.5684 0.5639 0.4262 -0.0023 -0.1069 -0.0253 233 VAL B N 5977 C CA . VAL B 235 ? 0.5867 0.5845 0.4478 -0.0105 -0.1152 -0.0292 233 VAL B CA 5978 C C . VAL B 235 ? 0.6296 0.6088 0.4714 -0.0147 -0.1129 -0.0434 233 VAL B C 5979 O O . VAL B 235 ? 0.6807 0.6523 0.4990 -0.0144 -0.1091 -0.0494 233 VAL B O 5980 C CB . VAL B 235 ? 0.5707 0.5849 0.4297 -0.0145 -0.1259 -0.0223 233 VAL B CB 5981 C CG1 . VAL B 235 ? 0.5440 0.5596 0.4049 -0.0244 -0.1359 -0.0279 233 VAL B CG1 5982 C CG2 . VAL B 235 ? 0.5060 0.5372 0.3869 -0.0086 -0.1288 -0.0081 233 VAL B CG2 5983 N N . THR B 236 ? 0.6427 0.6130 0.4933 -0.0186 -0.1149 -0.0488 234 THR B N 5984 C CA . THR B 236 ? 0.6635 0.6122 0.4971 -0.0219 -0.1131 -0.0624 234 THR B CA 5985 C C . THR B 236 ? 0.5610 0.5109 0.3872 -0.0335 -0.1234 -0.0664 234 THR B C 5986 O O . THR B 236 ? 0.5892 0.5532 0.4330 -0.0392 -0.1322 -0.0593 234 THR B O 5987 C CB . THR B 236 ? 0.7147 0.6485 0.5606 -0.0191 -0.1099 -0.0655 234 THR B CB 5988 O OG1 . THR B 236 ? 0.7960 0.7329 0.6519 -0.0090 -0.1030 -0.0603 234 THR B OG1 5989 C CG2 . THR B 236 ? 0.7696 0.6776 0.5982 -0.0186 -0.1060 -0.0795 234 THR B CG2 5990 N N . SER B 237 ? 0.6672 0.6024 0.4673 -0.0369 -0.1222 -0.0783 235 SER B N 5991 C CA . SER B 237 ? 0.7286 0.6607 0.5191 -0.0487 -0.1328 -0.0844 235 SER B CA 5992 C C . SER B 237 ? 0.6860 0.6044 0.4891 -0.0552 -0.1363 -0.0883 235 SER B C 5993 O O . SER B 237 ? 0.7782 0.6825 0.5895 -0.0495 -0.1290 -0.0898 235 SER B O 5994 C CB . SER B 237 ? 0.6530 0.5680 0.4092 -0.0505 -0.1290 -0.0985 235 SER B CB 5995 O OG . SER B 237 ? 0.7407 0.6276 0.4888 -0.0489 -0.1206 -0.1121 235 SER B OG 5996 N N . LEU B 238 ? 0.6040 0.5265 0.4089 -0.0674 -0.1486 -0.0888 236 LEU B N 5997 C CA . LEU B 238 ? 0.8091 0.7182 0.6242 -0.0767 -0.1534 -0.0920 236 LEU B CA 5998 C C . LEU B 238 ? 0.8086 0.6825 0.6068 -0.0753 -0.1453 -0.1064 236 LEU B C 5999 O O . LEU B 238 ? 0.7826 0.6426 0.5932 -0.0748 -0.1428 -0.1055 236 LEU B O 6000 C CB . LEU B 238 ? 0.9365 0.8542 0.7519 -0.0916 -0.1686 -0.0919 236 LEU B CB 6001 C CG . LEU B 238 ? 0.9971 0.9492 0.8371 -0.0941 -0.1788 -0.0764 236 LEU B CG 6002 C CD1 . LEU B 238 ? 0.8916 0.8569 0.7583 -0.0848 -0.1713 -0.0650 236 LEU B CD1 6003 C CD2 . LEU B 238 ? 1.0856 1.0531 0.9113 -0.0911 -0.1840 -0.0735 236 LEU B CD2 6004 N N . TYR B 239 ? 0.8024 0.6610 0.5720 -0.0743 -0.1411 -0.1196 237 TYR B N 6005 C CA . TYR B 239 ? 0.8577 0.6821 0.6118 -0.0703 -0.1310 -0.1345 237 TYR B CA 6006 C C . TYR B 239 ? 0.8769 0.6949 0.6439 -0.0554 -0.1191 -0.1308 237 TYR B C 6007 O O . TYR B 239 ? 0.8477 0.6442 0.6226 -0.0531 -0.1165 -0.1333 237 TYR B O 6008 C CB . TYR B 239 ? 0.8332 0.6448 0.5539 -0.0698 -0.1257 -0.1497 237 TYR B CB 6009 C CG . TYR B 239 ? 1.1358 0.9116 0.8421 -0.0633 -0.1126 -0.1666 237 TYR B CG 6010 C CD1 . TYR B 239 ? 1.2377 1.0067 0.9437 -0.0473 -0.0965 -0.1696 237 TYR B CD1 6011 C CD2 . TYR B 239 ? 1.2262 0.9744 0.9210 -0.0725 -0.1160 -0.1795 237 TYR B CD2 6012 C CE1 . TYR B 239 ? 1.3042 1.0416 1.0020 -0.0389 -0.0832 -0.1847 237 TYR B CE1 6013 C CE2 . TYR B 239 ? 1.3102 1.0243 0.9944 -0.0647 -0.1028 -0.1953 237 TYR B CE2 6014 C CZ . TYR B 239 ? 1.3650 1.0747 1.0522 -0.0471 -0.0860 -0.1976 237 TYR B CZ 6015 O OH . TYR B 239 ? 1.4322 1.1096 1.1139 -0.0372 -0.0717 -0.2127 237 TYR B OH 6016 N N . GLU B 240 ? 0.8052 0.6412 0.5746 -0.0454 -0.1132 -0.1240 238 GLU B N 6017 C CA . GLU B 240 ? 0.7368 0.5683 0.5185 -0.0314 -0.1038 -0.1205 238 GLU B CA 6018 C C . GLU B 240 ? 0.7385 0.5753 0.5470 -0.0318 -0.1096 -0.1085 238 GLU B C 6019 O O . GLU B 240 ? 0.7715 0.5924 0.5883 -0.0237 -0.1056 -0.1089 238 GLU B O 6020 C CB . GLU B 240 ? 0.7181 0.5696 0.4984 -0.0229 -0.0980 -0.1144 238 GLU B CB 6021 C CG . GLU B 240 ? 0.8204 0.6687 0.5740 -0.0204 -0.0894 -0.1241 238 GLU B CG 6022 C CD . GLU B 240 ? 0.7546 0.6249 0.5100 -0.0138 -0.0853 -0.1140 238 GLU B CD 6023 O OE1 . GLU B 240 ? 0.6892 0.5820 0.4503 -0.0198 -0.0942 -0.1025 238 GLU B OE1 6024 O OE2 . GLU B 240 ? 0.7256 0.5908 0.4794 -0.0019 -0.0734 -0.1171 238 GLU B OE2 6025 N N . ALA B 241 ? 0.6013 0.4608 0.4234 -0.0407 -0.1188 -0.0976 239 ALA B N 6026 C CA . ALA B 241 ? 0.6311 0.4971 0.4768 -0.0421 -0.1225 -0.0866 239 ALA B CA 6027 C C . ALA B 241 ? 0.7349 0.5756 0.5817 -0.0490 -0.1258 -0.0907 239 ALA B C 6028 O O . ALA B 241 ? 0.7679 0.5995 0.6262 -0.0458 -0.1250 -0.0854 239 ALA B O 6029 C CB . ALA B 241 ? 0.5134 0.4089 0.3744 -0.0496 -0.1299 -0.0756 239 ALA B CB 6030 N N . ARG B 242 ? 0.6938 0.5224 0.5275 -0.0593 -0.1302 -0.0999 240 ARG B N 6031 C CA . ARG B 242 ? 0.7551 0.5569 0.5881 -0.0672 -0.1331 -0.1045 240 ARG B CA 6032 C C . ARG B 242 ? 0.7974 0.5673 0.6222 -0.0550 -0.1240 -0.1128 240 ARG B C 6033 O O . ARG B 242 ? 0.8474 0.5991 0.6814 -0.0543 -0.1246 -0.1089 240 ARG B O 6034 C CB . ARG B 242 ? 0.7653 0.5615 0.5854 -0.0819 -0.1406 -0.1133 240 ARG B CB 6035 C CG . ARG B 242 ? 0.9503 0.7120 0.7652 -0.0889 -0.1414 -0.1210 240 ARG B CG 6036 C CD . ARG B 242 ? 1.0207 0.7762 0.8247 -0.1058 -0.1507 -0.1293 240 ARG B CD 6037 N NE . ARG B 242 ? 0.9900 0.7213 0.8008 -0.1160 -0.1541 -0.1289 240 ARG B NE 6038 C CZ . ARG B 242 ? 0.8654 0.6108 0.6971 -0.1278 -0.1619 -0.1162 240 ARG B CZ 6039 N NH1 . ARG B 242 ? 0.8539 0.6374 0.7028 -0.1301 -0.1668 -0.1041 240 ARG B NH1 6040 N NH2 . ARG B 242 ? 0.7652 0.4864 0.6013 -0.1376 -0.1641 -0.1154 240 ARG B NH2 6041 N N . ASN B 243 ? 0.7225 0.4864 0.5314 -0.0449 -0.1152 -0.1233 241 ASN B N 6042 C CA . ASN B 243 ? 0.6634 0.4008 0.4690 -0.0304 -0.1047 -0.1313 241 ASN B CA 6043 C C . ASN B 243 ? 0.7286 0.4700 0.5545 -0.0186 -0.1041 -0.1196 241 ASN B C 6044 O O . ASN B 243 ? 0.6773 0.3952 0.5107 -0.0120 -0.1025 -0.1193 241 ASN B O 6045 C CB . ASN B 243 ? 0.7196 0.4581 0.5079 -0.0209 -0.0934 -0.1427 241 ASN B CB 6046 C CG . ASN B 243 ? 0.9374 0.6426 0.7166 -0.0115 -0.0815 -0.1577 241 ASN B CG 6047 O OD1 . ASN B 243 ? 0.9964 0.6778 0.7654 -0.0198 -0.0826 -0.1675 241 ASN B OD1 6048 N ND2 . ASN B 243 ? 1.1696 0.8732 0.9546 0.0064 -0.0693 -0.1598 241 ASN B ND2 6049 N N . ARG B 244 ? 0.6540 0.4247 0.4887 -0.0161 -0.1058 -0.1097 242 ARG B N 6050 C CA . ARG B 244 ? 0.6169 0.3940 0.4686 -0.0062 -0.1063 -0.0996 242 ARG B CA 6051 C C . ARG B 244 ? 0.6864 0.4545 0.5500 -0.0141 -0.1142 -0.0896 242 ARG B C 6052 O O . ARG B 244 ? 0.7342 0.4875 0.6064 -0.0064 -0.1149 -0.0851 242 ARG B O 6053 C CB . ARG B 244 ? 0.5442 0.3540 0.4012 -0.0046 -0.1061 -0.0918 242 ARG B CB 6054 C CG . ARG B 244 ? 0.5044 0.3202 0.3520 0.0066 -0.0970 -0.0992 242 ARG B CG 6055 C CD . ARG B 244 ? 0.5315 0.3774 0.3798 0.0044 -0.0969 -0.0918 242 ARG B CD 6056 N NE . ARG B 244 ? 0.5920 0.4405 0.4240 0.0102 -0.0884 -0.0998 242 ARG B NE 6057 C CZ . ARG B 244 ? 0.5924 0.4597 0.4251 0.0157 -0.0843 -0.0951 242 ARG B CZ 6058 N NH1 . ARG B 244 ? 0.5520 0.4366 0.4017 0.0164 -0.0879 -0.0833 242 ARG B NH1 6059 N NH2 . ARG B 244 ? 0.7199 0.5874 0.5349 0.0198 -0.0755 -0.1023 242 ARG B NH2 6060 N N . THR B 245 ? 0.6994 0.4767 0.5639 -0.0299 -0.1204 -0.0855 243 THR B N 6061 C CA . THR B 245 ? 0.6525 0.4224 0.5268 -0.0404 -0.1267 -0.0759 243 THR B CA 6062 C C . THR B 245 ? 0.6373 0.3705 0.5072 -0.0404 -0.1269 -0.0801 243 THR B C 6063 O O . THR B 245 ? 0.6577 0.3771 0.5350 -0.0402 -0.1295 -0.0709 243 THR B O 6064 C CB . THR B 245 ? 0.6663 0.4541 0.5446 -0.0575 -0.1323 -0.0726 243 THR B CB 6065 O OG1 . THR B 245 ? 0.6061 0.4277 0.4935 -0.0563 -0.1319 -0.0658 243 THR B OG1 6066 C CG2 . THR B 245 ? 0.5788 0.3557 0.4660 -0.0705 -0.1374 -0.0640 243 THR B CG2 6067 N N . LEU B 246 ? 0.6859 0.4021 0.5426 -0.0409 -0.1236 -0.0937 244 LEU B N 6068 C CA . LEU B 246 ? 0.7494 0.4287 0.6020 -0.0398 -0.1218 -0.0994 244 LEU B CA 6069 C C . LEU B 246 ? 0.7023 0.3657 0.5610 -0.0196 -0.1152 -0.0994 244 LEU B C 6070 O O . LEU B 246 ? 0.6534 0.2903 0.5177 -0.0163 -0.1154 -0.0960 244 LEU B O 6071 C CB . LEU B 246 ? 0.7908 0.4552 0.6259 -0.0463 -0.1189 -0.1160 244 LEU B CB 6072 C CG . LEU B 246 ? 0.7617 0.4375 0.5935 -0.0674 -0.1278 -0.1159 244 LEU B CG 6073 C CD1 . LEU B 246 ? 0.7307 0.3871 0.5426 -0.0734 -0.1259 -0.1336 244 LEU B CD1 6074 C CD2 . LEU B 246 ? 0.7624 0.4297 0.6067 -0.0799 -0.1349 -0.1041 244 LEU B CD2 6075 N N . ASN B 247 ? 0.5534 0.2342 0.4132 -0.0062 -0.1095 -0.1024 245 ASN B N 6076 C CA . ASN B 247 ? 0.6478 0.3213 0.5199 0.0134 -0.1042 -0.1004 245 ASN B CA 6077 C C . ASN B 247 ? 0.7449 0.4225 0.6326 0.0140 -0.1130 -0.0827 245 ASN B C 6078 O O . ASN B 247 ? 0.7126 0.3734 0.6123 0.0244 -0.1131 -0.0762 245 ASN B O 6079 C CB . ASN B 247 ? 0.6786 0.3733 0.5502 0.0258 -0.0963 -0.1064 245 ASN B CB 6080 C CG . ASN B 247 ? 0.6992 0.3850 0.5539 0.0284 -0.0845 -0.1238 245 ASN B CG 6081 O OD1 . ASN B 247 ? 0.7263 0.3852 0.5727 0.0253 -0.0807 -0.1330 245 ASN B OD1 6082 N ND2 . ASN B 247 ? 0.7043 0.4113 0.5526 0.0335 -0.0779 -0.1286 245 ASN B ND2 6083 N N . LEU B 248 ? 0.7239 0.4245 0.6115 0.0027 -0.1197 -0.0740 246 LEU B N 6084 C CA . LEU B 248 ? 0.7258 0.4302 0.6229 -0.0001 -0.1271 -0.0576 246 LEU B CA 6085 C C . LEU B 248 ? 0.6609 0.3405 0.5580 -0.0094 -0.1317 -0.0492 246 LEU B C 6086 O O . LEU B 248 ? 0.6637 0.3332 0.5677 -0.0050 -0.1357 -0.0366 246 LEU B O 6087 C CB . LEU B 248 ? 0.6696 0.4031 0.5658 -0.0111 -0.1300 -0.0518 246 LEU B CB 6088 C CG . LEU B 248 ? 0.6198 0.3606 0.5217 -0.0148 -0.1340 -0.0354 246 LEU B CG 6089 C CD1 . LEU B 248 ? 0.5232 0.2777 0.4342 0.0007 -0.1317 -0.0300 246 LEU B CD1 6090 C CD2 . LEU B 248 ? 0.4600 0.2281 0.3616 -0.0280 -0.1329 -0.0305 246 LEU B CD2 6091 N N . ALA B 249 ? 0.6387 0.3094 0.5278 -0.0231 -0.1316 -0.0552 247 ALA B N 6092 C CA . ALA B 249 ? 0.6981 0.3437 0.5867 -0.0334 -0.1351 -0.0481 247 ALA B CA 6093 C C . ALA B 249 ? 0.7110 0.3272 0.6038 -0.0186 -0.1322 -0.0491 247 ALA B C 6094 O O . ALA B 249 ? 0.6750 0.2756 0.5729 -0.0186 -0.1361 -0.0358 247 ALA B O 6095 C CB . ALA B 249 ? 0.6418 0.2833 0.5228 -0.0504 -0.1356 -0.0564 247 ALA B CB 6096 N N . LYS B 250 ? 0.6990 0.3096 0.5903 -0.0054 -0.1242 -0.0641 248 LYS B N 6097 C CA . LYS B 250 ? 0.7635 0.3491 0.6632 0.0114 -0.1182 -0.0666 248 LYS B CA 6098 C C . LYS B 250 ? 0.7408 0.3361 0.6583 0.0262 -0.1216 -0.0512 248 LYS B C 6099 O O . LYS B 250 ? 0.7489 0.3259 0.6758 0.0314 -0.1240 -0.0403 248 LYS B O 6100 C CB . LYS B 250 ? 0.7807 0.3632 0.6751 0.0226 -0.1059 -0.0862 248 LYS B CB 6101 C CG . LYS B 250 ? 0.8380 0.3899 0.7402 0.0377 -0.0959 -0.0924 248 LYS B CG 6102 C CD . LYS B 250 ? 1.1049 0.6561 1.0000 0.0479 -0.0809 -0.1125 248 LYS B CD 6103 C CE . LYS B 250 ? 1.2916 0.8463 1.1608 0.0296 -0.0811 -0.1271 248 LYS B CE 6104 N NZ . LYS B 250 ? 1.3372 0.8908 1.1940 0.0368 -0.0664 -0.1469 248 LYS B NZ 6105 N N . LEU B 251 ? 0.7444 0.3695 0.6666 0.0319 -0.1225 -0.0498 249 LEU B N 6106 C CA . LEU B 251 ? 0.6635 0.3034 0.6033 0.0444 -0.1268 -0.0356 249 LEU B CA 6107 C C . LEU B 251 ? 0.6907 0.3280 0.6296 0.0340 -0.1380 -0.0154 249 LEU B C 6108 O O . LEU B 251 ? 0.6543 0.2953 0.6064 0.0429 -0.1427 -0.0015 249 LEU B O 6109 C CB . LEU B 251 ? 0.6257 0.2971 0.5676 0.0485 -0.1258 -0.0389 249 LEU B CB 6110 C CG . LEU B 251 ? 0.6533 0.3316 0.5969 0.0609 -0.1134 -0.0564 249 LEU B CG 6111 C CD1 . LEU B 251 ? 0.5121 0.2184 0.4494 0.0581 -0.1127 -0.0612 249 LEU B CD1 6112 C CD2 . LEU B 251 ? 0.5650 0.2439 0.5331 0.0822 -0.1067 -0.0543 249 LEU B CD2 6113 N N . THR B 252 ? 0.6520 0.2849 0.5755 0.0143 -0.1416 -0.0131 250 THR B N 6114 C CA . THR B 252 ? 0.5828 0.2148 0.5016 0.0027 -0.1495 0.0057 250 THR B CA 6115 C C . THR B 252 ? 0.6625 0.2655 0.5770 -0.0059 -0.1509 0.0119 250 THR B C 6116 O O . THR B 252 ? 0.7390 0.3393 0.6466 -0.0178 -0.1559 0.0274 250 THR B O 6117 C CB . THR B 252 ? 0.6284 0.2794 0.5356 -0.0142 -0.1508 0.0081 250 THR B CB 6118 O OG1 . THR B 252 ? 0.6571 0.3058 0.5581 -0.0262 -0.1468 -0.0040 250 THR B OG1 6119 C CG2 . THR B 252 ? 0.5186 0.1962 0.4289 -0.0064 -0.1503 0.0054 250 THR B CG2 6120 N N . GLY B 253 ? 0.6396 0.2197 0.5569 -0.0002 -0.1454 0.0000 251 GLY B N 6121 C CA . GLY B 253 ? 0.6457 0.1945 0.5591 -0.0084 -0.1460 0.0045 251 GLY B CA 6122 C C . GLY B 253 ? 0.8636 0.4112 0.7642 -0.0320 -0.1467 0.0020 251 GLY B C 6123 O O . GLY B 253 ? 0.7998 0.3287 0.6963 -0.0444 -0.1490 0.0116 251 GLY B O 6124 N N . CYS B 254 ? 0.8773 0.4468 0.7736 -0.0382 -0.1444 -0.0100 252 CYS B N 6125 C CA . CYS B 254 ? 0.8327 0.4097 0.7224 -0.0602 -0.1452 -0.0119 252 CYS B CA 6126 C C . CYS B 254 ? 0.8077 0.3767 0.6923 -0.0654 -0.1418 -0.0310 252 CYS B C 6127 O O . CYS B 254 ? 0.7917 0.3740 0.6742 -0.0827 -0.1435 -0.0338 252 CYS B O 6128 C CB . CYS B 254 ? 0.7848 0.3976 0.6749 -0.0670 -0.1463 -0.0070 252 CYS B CB 6129 S SG . CYS B 254 ? 0.7536 0.3734 0.6421 -0.0719 -0.1495 0.0163 252 CYS B SG 6130 N N . SER B 255 ? 0.8914 0.4399 0.7747 -0.0509 -0.1367 -0.0439 253 SER B N 6131 C CA . SER B 255 ? 0.9218 0.4586 0.7956 -0.0569 -0.1328 -0.0628 253 SER B CA 6132 C C . SER B 255 ? 0.9558 0.4706 0.8263 -0.0763 -0.1364 -0.0605 253 SER B C 6133 O O . SER B 255 ? 0.8970 0.3810 0.7699 -0.0743 -0.1358 -0.0542 253 SER B O 6134 C CB . SER B 255 ? 0.9653 0.4791 0.8379 -0.0378 -0.1236 -0.0765 253 SER B CB 6135 O OG . SER B 255 ? 1.0581 0.5963 0.9307 -0.0247 -0.1189 -0.0842 253 SER B OG 6136 N N . ARG B 256 ? 1.0333 0.5654 0.9003 -0.0953 -0.1403 -0.0644 254 ARG B N 6137 C CA . ARG B 256 ? 1.0307 0.5477 0.8979 -0.1163 -0.1445 -0.0607 254 ARG B CA 6138 C C . ARG B 256 ? 1.0680 0.5788 0.9257 -0.1280 -0.1457 -0.0789 254 ARG B C 6139 O O . ARG B 256 ? 1.0418 0.5628 0.8911 -0.1209 -0.1432 -0.0936 254 ARG B O 6140 C CB . ARG B 256 ? 0.9923 0.5387 0.8694 -0.1321 -0.1493 -0.0438 254 ARG B CB 6141 C CG . ARG B 256 ? 0.9409 0.4713 0.8224 -0.1372 -0.1498 -0.0248 254 ARG B CG 6142 C CD . ARG B 256 ? 1.0208 0.5306 0.9008 -0.1160 -0.1474 -0.0191 254 ARG B CD 6143 N NE . ARG B 256 ? 0.9580 0.4671 0.8405 -0.1190 -0.1490 0.0026 254 ARG B NE 6144 C CZ . ARG B 256 ? 1.0265 0.5316 0.9097 -0.1021 -0.1494 0.0124 254 ARG B CZ 6145 N NH1 . ARG B 256 ? 0.9996 0.5022 0.8852 -0.0808 -0.1474 0.0026 254 ARG B NH1 6146 N NH2 . ARG B 256 ? 1.0884 0.5938 0.9701 -0.1070 -0.1514 0.0325 254 ARG B NH2 6147 N N . GLU B 257 ? 1.1399 0.6342 0.9985 -0.1473 -0.1500 -0.0771 255 GLU B N 6148 C CA . GLU B 257 ? 1.2454 0.7288 1.0949 -0.1620 -0.1533 -0.0932 255 GLU B CA 6149 C C . GLU B 257 ? 1.1737 0.6997 1.0264 -0.1749 -0.1603 -0.0953 255 GLU B C 6150 O O . GLU B 257 ? 1.2440 0.7734 1.0846 -0.1761 -0.1619 -0.1114 255 GLU B O 6151 C CB . GLU B 257 ? 1.4184 0.8708 1.2706 -0.1795 -0.1563 -0.0883 255 GLU B CB 6152 C CG . GLU B 257 ? 1.4715 0.9346 1.3385 -0.1886 -0.1582 -0.0645 255 GLU B CG 6153 C CD . GLU B 257 ? 1.4900 0.9359 1.3585 -0.1702 -0.1528 -0.0514 255 GLU B CD 6154 O OE1 . GLU B 257 ? 1.5422 0.9615 1.4042 -0.1512 -0.1475 -0.0604 255 GLU B OE1 6155 O OE2 . GLU B 257 ? 1.4173 0.8780 1.2942 -0.1745 -0.1535 -0.0319 255 GLU B OE2 6156 N N . ASN B 258 ? 1.1014 0.6599 0.9707 -0.1843 -0.1639 -0.0784 256 ASN B N 6157 C CA . ASN B 258 ? 1.0498 0.6534 0.9284 -0.1934 -0.1696 -0.0771 256 ASN B CA 6158 C C . ASN B 258 ? 0.9627 0.6019 0.8533 -0.1829 -0.1663 -0.0642 256 ASN B C 6159 O O . ASN B 258 ? 0.8517 0.4820 0.7439 -0.1723 -0.1611 -0.0542 256 ASN B O 6160 C CB . ASN B 258 ? 1.0905 0.7045 0.9829 -0.2192 -0.1772 -0.0710 256 ASN B CB 6161 C CG . ASN B 258 ? 1.2750 0.8887 1.1829 -0.2279 -0.1743 -0.0517 256 ASN B CG 6162 O OD1 . ASN B 258 ? 1.3123 0.9146 1.2179 -0.2149 -0.1678 -0.0428 256 ASN B OD1 6163 N ND2 . ASN B 258 ? 1.5022 1.1318 1.4267 -0.2503 -0.1791 -0.0443 256 ASN B ND2 6164 N N . GLU B 259 ? 0.9952 0.6742 0.8945 -0.1861 -0.1701 -0.0641 257 GLU B N 6165 C CA . GLU B 259 ? 0.9136 0.6252 0.8230 -0.1751 -0.1664 -0.0547 257 GLU B CA 6166 C C . GLU B 259 ? 0.9211 0.6469 0.8487 -0.1830 -0.1637 -0.0363 257 GLU B C 6167 O O . GLU B 259 ? 0.9650 0.6998 0.8945 -0.1718 -0.1584 -0.0285 257 GLU B O 6168 C CB . GLU B 259 ? 0.8230 0.5724 0.7381 -0.1758 -0.1710 -0.0588 257 GLU B CB 6169 C CG . GLU B 259 ? 0.9658 0.7056 0.8594 -0.1649 -0.1711 -0.0756 257 GLU B CG 6170 C CD . GLU B 259 ? 1.0036 0.7781 0.9010 -0.1693 -0.1780 -0.0782 257 GLU B CD 6171 O OE1 . GLU B 259 ? 0.8760 0.6858 0.7963 -0.1758 -0.1815 -0.0662 257 GLU B OE1 6172 O OE2 . GLU B 259 ? 1.1534 0.9197 1.0312 -0.1662 -0.1798 -0.0917 257 GLU B OE2 6173 N N . THR B 260 ? 0.8491 0.5770 0.7894 -0.2032 -0.1666 -0.0294 258 THR B N 6174 C CA . THR B 260 ? 0.8997 0.6428 0.8571 -0.2125 -0.1615 -0.0116 258 THR B CA 6175 C C . THR B 260 ? 1.0098 0.7212 0.9545 -0.2045 -0.1554 -0.0032 258 THR B C 6176 O O . THR B 260 ? 1.0731 0.7970 1.0232 -0.2040 -0.1491 0.0102 258 THR B O 6177 C CB . THR B 260 ? 0.9145 0.6686 0.8908 -0.2369 -0.1645 -0.0050 258 THR B CB 6178 O OG1 . THR B 260 ? 0.8802 0.6381 0.8672 -0.2455 -0.1562 0.0122 258 THR B OG1 6179 C CG2 . THR B 260 ? 0.9838 0.7005 0.9472 -0.2456 -0.1702 -0.0147 258 THR B CG2 6180 N N . GLU B 261 ? 1.0074 0.6780 0.9350 -0.1979 -0.1569 -0.0110 259 GLU B N 6181 C CA . GLU B 261 ? 0.8797 0.5196 0.7965 -0.1882 -0.1530 -0.0025 259 GLU B CA 6182 C C . GLU B 261 ? 0.8282 0.4697 0.7365 -0.1650 -0.1508 -0.0053 259 GLU B C 6183 O O . GLU B 261 ? 0.8288 0.4651 0.7339 -0.1581 -0.1480 0.0070 259 GLU B O 6184 C CB . GLU B 261 ? 0.9197 0.5150 0.8261 -0.1895 -0.1550 -0.0086 259 GLU B CB 6185 C CG . GLU B 261 ? 0.9863 0.5737 0.9004 -0.2129 -0.1566 -0.0025 259 GLU B CG 6186 C CD . GLU B 261 ? 1.0956 0.6877 1.0160 -0.2221 -0.1518 0.0187 259 GLU B CD 6187 O OE1 . GLU B 261 ? 1.2364 0.8158 1.1477 -0.2089 -0.1486 0.0280 259 GLU B OE1 6188 O OE2 . GLU B 261 ? 1.0711 0.6803 1.0056 -0.2429 -0.1508 0.0264 259 GLU B OE2 6189 N N . ILE B 262 ? 0.6921 0.3406 0.5958 -0.1538 -0.1521 -0.0208 260 ILE B N 6190 C CA . ILE B 262 ? 0.6723 0.3281 0.5710 -0.1331 -0.1495 -0.0240 260 ILE B CA 6191 C C . ILE B 262 ? 0.7487 0.4343 0.6557 -0.1340 -0.1473 -0.0110 260 ILE B C 6192 O O . ILE B 262 ? 0.8041 0.4854 0.7068 -0.1219 -0.1455 -0.0044 260 ILE B O 6193 C CB . ILE B 262 ? 0.7544 0.4226 0.6480 -0.1247 -0.1497 -0.0411 260 ILE B CB 6194 C CG1 . ILE B 262 ? 0.7299 0.3637 0.6106 -0.1197 -0.1489 -0.0558 260 ILE B CG1 6195 C CG2 . ILE B 262 ? 0.5583 0.2440 0.4511 -0.1063 -0.1464 -0.0416 260 ILE B CG2 6196 C CD1 . ILE B 262 ? 0.6586 0.3023 0.5296 -0.1141 -0.1478 -0.0729 260 ILE B CD1 6197 N N . ILE B 263 ? 0.7849 0.5007 0.7051 -0.1489 -0.1474 -0.0072 261 ILE B N 6198 C CA . ILE B 263 ? 0.7294 0.4746 0.6588 -0.1508 -0.1431 0.0034 261 ILE B CA 6199 C C . ILE B 263 ? 0.7225 0.4576 0.6500 -0.1596 -0.1382 0.0204 261 ILE B C 6200 O O . ILE B 263 ? 0.7904 0.5309 0.7126 -0.1537 -0.1341 0.0281 261 ILE B O 6201 C CB . ILE B 263 ? 0.7681 0.5528 0.7170 -0.1619 -0.1436 0.0024 261 ILE B CB 6202 C CG1 . ILE B 263 ? 0.8601 0.6542 0.8061 -0.1527 -0.1487 -0.0127 261 ILE B CG1 6203 C CG2 . ILE B 263 ? 0.7018 0.5158 0.6611 -0.1614 -0.1373 0.0116 261 ILE B CG2 6204 C CD1 . ILE B 263 ? 0.9425 0.7358 0.8768 -0.1319 -0.1463 -0.0189 261 ILE B CD1 6205 N N . LYS B 264 ? 0.8053 0.5254 0.7350 -0.1744 -0.1383 0.0267 262 LYS B N 6206 C CA . LYS B 264 ? 0.8287 0.5357 0.7523 -0.1824 -0.1329 0.0437 262 LYS B CA 6207 C C . LYS B 264 ? 0.7824 0.4654 0.6874 -0.1650 -0.1343 0.0478 262 LYS B C 6208 O O . LYS B 264 ? 0.8703 0.5577 0.7669 -0.1649 -0.1295 0.0602 262 LYS B O 6209 C CB . LYS B 264 ? 0.9728 0.6571 0.8977 -0.1969 -0.1343 0.0476 262 LYS B CB 6210 C CG . LYS B 264 ? 1.1100 0.8199 1.0555 -0.2189 -0.1310 0.0515 262 LYS B CG 6211 C CD . LYS B 264 ? 1.2260 0.9090 1.1707 -0.2335 -0.1323 0.0564 262 LYS B CD 6212 C CE . LYS B 264 ? 1.2517 0.9606 1.2204 -0.2552 -0.1315 0.0570 262 LYS B CE 6213 N NZ . LYS B 264 ? 1.2733 0.9541 1.2413 -0.2707 -0.1331 0.0610 262 LYS B NZ 6214 N N . CYS B 265 ? 0.6761 0.3353 0.5754 -0.1506 -0.1405 0.0373 263 CYS B N 6215 C CA . CYS B 265 ? 0.7919 0.4300 0.6802 -0.1325 -0.1433 0.0407 263 CYS B CA 6216 C C . CYS B 265 ? 0.7079 0.3670 0.5941 -0.1199 -0.1425 0.0398 263 CYS B C 6217 O O . CYS B 265 ? 0.7915 0.4473 0.6687 -0.1145 -0.1428 0.0514 263 CYS B O 6218 C CB . CYS B 265 ? 0.8538 0.4639 0.7415 -0.1205 -0.1472 0.0281 263 CYS B CB 6219 S SG . CYS B 265 ? 1.1127 0.7046 0.9973 -0.0937 -0.1501 0.0279 263 CYS B SG 6220 N N . LEU B 266 ? 0.7171 0.3984 0.6105 -0.1163 -0.1417 0.0266 264 LEU B N 6221 C CA . LEU B 266 ? 0.7290 0.4308 0.6216 -0.1060 -0.1404 0.0248 264 LEU B CA 6222 C C . LEU B 266 ? 0.7360 0.4563 0.6255 -0.1162 -0.1337 0.0381 264 LEU B C 6223 O O . LEU B 266 ? 0.7686 0.4997 0.6510 -0.1052 -0.1306 0.0420 264 LEU B O 6224 C CB . LEU B 266 ? 0.6353 0.3597 0.5363 -0.1013 -0.1401 0.0087 264 LEU B CB 6225 C CG . LEU B 266 ? 0.6040 0.3136 0.5023 -0.0863 -0.1425 -0.0054 264 LEU B CG 6226 C CD1 . LEU B 266 ? 0.6125 0.3446 0.5145 -0.0847 -0.1413 -0.0194 264 LEU B CD1 6227 C CD2 . LEU B 266 ? 0.6153 0.3154 0.5099 -0.0675 -0.1434 -0.0042 264 LEU B CD2 6228 N N . ARG B 267 ? 0.6554 0.3845 0.5511 -0.1354 -0.1287 0.0448 265 ARG B N 6229 C CA . ARG B 267 ? 0.7145 0.4646 0.6069 -0.1432 -0.1167 0.0570 265 ARG B CA 6230 C C . ARG B 267 ? 0.8293 0.5548 0.6990 -0.1441 -0.1168 0.0724 265 ARG B C 6231 O O . ARG B 267 ? 0.8644 0.6036 0.7223 -0.1461 -0.1070 0.0804 265 ARG B O 6232 C CB . ARG B 267 ? 0.6345 0.4016 0.5431 -0.1639 -0.1098 0.0616 265 ARG B CB 6233 C CG . ARG B 267 ? 0.6945 0.4955 0.6268 -0.1629 -0.1096 0.0498 265 ARG B CG 6234 C CD . ARG B 267 ? 0.8011 0.6339 0.7548 -0.1791 -0.0986 0.0573 265 ARG B CD 6235 N NE . ARG B 267 ? 0.9514 0.8213 0.9294 -0.1745 -0.0989 0.0485 265 ARG B NE 6236 C CZ . ARG B 267 ? 1.0088 0.8906 1.0080 -0.1864 -0.1081 0.0444 265 ARG B CZ 6237 N NH1 . ARG B 267 ? 0.9160 0.7748 0.9144 -0.2027 -0.1157 0.0464 265 ARG B NH1 6238 N NH2 . ARG B 267 ? 0.9682 0.8848 0.9883 -0.1808 -0.1100 0.0385 265 ARG B NH2 6239 N N . ASN B 268 ? 0.7047 0.3977 0.5680 -0.1401 -0.1267 0.0753 266 ASN B N 6240 C CA . ASN B 268 ? 0.6807 0.3559 0.5252 -0.1376 -0.1288 0.0899 266 ASN B CA 6241 C C . ASN B 268 ? 0.7043 0.3737 0.5412 -0.1182 -0.1374 0.0897 266 ASN B C 6242 O O . ASN B 268 ? 0.7764 0.4375 0.5987 -0.1163 -0.1406 0.1018 266 ASN B O 6243 C CB . ASN B 268 ? 0.8326 0.4827 0.6780 -0.1432 -0.1324 0.0957 266 ASN B CB 6244 C CG . ASN B 268 ? 0.9871 0.6416 0.8290 -0.1642 -0.1226 0.1070 266 ASN B CG 6245 O OD1 . ASN B 268 ? 1.0169 0.6690 0.8720 -0.1758 -0.1209 0.1042 266 ASN B OD1 6246 N ND2 . ASN B 268 ? 1.1317 0.7946 0.9554 -0.1698 -0.1149 0.1192 266 ASN B ND2 6247 N N . LYS B 269 ? 0.7118 0.3879 0.5602 -0.1043 -0.1413 0.0759 267 LYS B N 6248 C CA . LYS B 269 ? 0.7334 0.4096 0.5803 -0.0860 -0.1486 0.0756 267 LYS B CA 6249 C C . LYS B 269 ? 0.6836 0.3798 0.5157 -0.0880 -0.1443 0.0815 267 LYS B C 6250 O O . LYS B 269 ? 0.7808 0.5017 0.6134 -0.0950 -0.1324 0.0760 267 LYS B O 6251 C CB . LYS B 269 ? 0.6887 0.3693 0.5520 -0.0709 -0.1510 0.0585 267 LYS B CB 6252 C CG . LYS B 269 ? 0.7368 0.4000 0.6112 -0.0675 -0.1524 0.0487 267 LYS B CG 6253 C CD . LYS B 269 ? 0.5952 0.2346 0.4697 -0.0614 -0.1577 0.0582 267 LYS B CD 6254 C CE . LYS B 269 ? 0.6108 0.2516 0.4956 -0.0402 -0.1625 0.0568 267 LYS B CE 6255 N NZ . LYS B 269 ? 0.8387 0.4611 0.7262 -0.0344 -0.1679 0.0688 267 LYS B NZ 6256 N N . ASP B 270 ? 0.5786 0.2728 0.4016 -0.0801 -0.1517 0.0897 268 ASP B N 6257 C CA . ASP B 270 ? 0.7181 0.4306 0.5262 -0.0799 -0.1495 0.0918 268 ASP B CA 6258 C C . ASP B 270 ? 0.6475 0.3843 0.4719 -0.0687 -0.1451 0.0754 268 ASP B C 6259 O O . ASP B 270 ? 0.5906 0.3259 0.4346 -0.0563 -0.1497 0.0667 268 ASP B O 6260 C CB . ASP B 270 ? 0.8147 0.5281 0.6213 -0.0717 -0.1598 0.0982 268 ASP B CB 6261 C CG . ASP B 270 ? 1.0984 0.8027 0.8823 -0.0843 -0.1596 0.1118 268 ASP B CG 6262 O OD1 . ASP B 270 ? 1.1441 0.8323 0.9236 -0.0940 -0.1565 0.1186 268 ASP B OD1 6263 O OD2 . ASP B 270 ? 1.2565 0.9698 1.0268 -0.0855 -0.1623 0.1153 268 ASP B OD2 6264 N N . PRO B 271 ? 0.6084 0.3678 0.4247 -0.0725 -0.1344 0.0703 269 PRO B N 6265 C CA . PRO B 271 ? 0.6385 0.4223 0.4692 -0.0623 -0.1293 0.0557 269 PRO B CA 6266 C C . PRO B 271 ? 0.5650 0.3497 0.4085 -0.0468 -0.1405 0.0526 269 PRO B C 6267 O O . PRO B 271 ? 0.5970 0.3918 0.4591 -0.0371 -0.1386 0.0410 269 PRO B O 6268 C CB . PRO B 271 ? 0.6652 0.4617 0.4766 -0.0685 -0.1200 0.0562 269 PRO B CB 6269 C CG . PRO B 271 ? 0.6607 0.4462 0.4526 -0.0839 -0.1130 0.0665 269 PRO B CG 6270 C CD . PRO B 271 ? 0.6781 0.4380 0.4683 -0.0867 -0.1254 0.0785 269 PRO B CD 6271 N N . GLN B 272 ? 0.5642 0.3397 0.3985 -0.0450 -0.1522 0.0637 270 GLN B N 6272 C CA . GLN B 272 ? 0.5957 0.3805 0.4510 -0.0307 -0.1594 0.0604 270 GLN B CA 6273 C C . GLN B 272 ? 0.6686 0.4402 0.5453 -0.0182 -0.1644 0.0574 270 GLN B C 6274 O O . GLN B 272 ? 0.6148 0.3980 0.5117 -0.0047 -0.1649 0.0498 270 GLN B O 6275 C CB . GLN B 272 ? 0.5228 0.3115 0.3748 -0.0329 -0.1654 0.0692 270 GLN B CB 6276 C CG . GLN B 272 ? 0.7288 0.5342 0.5681 -0.0393 -0.1602 0.0662 270 GLN B CG 6277 C CD . GLN B 272 ? 0.8596 0.6864 0.7186 -0.0297 -0.1570 0.0558 270 GLN B CD 6278 O OE1 . GLN B 272 ? 0.9164 0.7476 0.7983 -0.0175 -0.1592 0.0514 270 GLN B OE1 6279 N NE2 . GLN B 272 ? 0.8710 0.7093 0.7197 -0.0354 -0.1509 0.0519 270 GLN B NE2 6280 N N . GLU B 273 ? 0.5952 0.3424 0.4681 -0.0232 -0.1658 0.0622 271 GLU B N 6281 C CA . GLU B 273 ? 0.6079 0.3389 0.4990 -0.0126 -0.1670 0.0557 271 GLU B CA 6282 C C . GLU B 273 ? 0.6329 0.3735 0.5315 -0.0105 -0.1568 0.0376 271 GLU B C 6283 O O . GLU B 273 ? 0.7607 0.4947 0.6731 0.0011 -0.1556 0.0274 271 GLU B O 6284 C CB . GLU B 273 ? 0.6137 0.3194 0.4997 -0.0201 -0.1690 0.0636 271 GLU B CB 6285 C CG . GLU B 273 ? 0.5668 0.2697 0.4581 -0.0146 -0.1768 0.0761 271 GLU B CG 6286 C CD . GLU B 273 ? 0.6527 0.3328 0.5322 -0.0251 -0.1790 0.0879 271 GLU B CD 6287 O OE1 . GLU B 273 ? 0.8337 0.5039 0.6992 -0.0397 -0.1736 0.0878 271 GLU B OE1 6288 O OE2 . GLU B 273 ? 0.7075 0.3808 0.5933 -0.0191 -0.1860 0.0983 271 GLU B OE2 6289 N N . ILE B 274 ? 0.5229 0.2813 0.4126 -0.0216 -0.1485 0.0333 272 ILE B N 6290 C CA . ILE B 274 ? 0.5119 0.2869 0.4088 -0.0198 -0.1402 0.0180 272 ILE B CA 6291 C C . ILE B 274 ? 0.5153 0.3134 0.4203 -0.0082 -0.1376 0.0118 272 ILE B C 6292 O O . ILE B 274 ? 0.6202 0.4218 0.5353 0.0017 -0.1349 0.0010 272 ILE B O 6293 C CB . ILE B 274 ? 0.6334 0.4208 0.5233 -0.0346 -0.1327 0.0177 272 ILE B CB 6294 C CG1 . ILE B 274 ? 0.6888 0.4545 0.5745 -0.0477 -0.1347 0.0233 272 ILE B CG1 6295 C CG2 . ILE B 274 ? 0.4945 0.3027 0.3927 -0.0319 -0.1266 0.0045 272 ILE B CG2 6296 C CD1 . ILE B 274 ? 0.7251 0.5051 0.6087 -0.0630 -0.1268 0.0260 272 ILE B CD1 6297 N N . LEU B 275 ? 0.5335 0.3457 0.4320 -0.0107 -0.1377 0.0184 273 LEU B N 6298 C CA . LEU B 275 ? 0.4543 0.2876 0.3599 -0.0028 -0.1357 0.0139 273 LEU B CA 6299 C C . LEU B 275 ? 0.4193 0.2529 0.3430 0.0118 -0.1404 0.0124 273 LEU B C 6300 O O . LEU B 275 ? 0.4590 0.3059 0.3935 0.0199 -0.1344 0.0029 273 LEU B O 6301 C CB . LEU B 275 ? 0.5612 0.4016 0.4532 -0.0098 -0.1378 0.0221 273 LEU B CB 6302 C CG . LEU B 275 ? 0.5686 0.4145 0.4439 -0.0215 -0.1285 0.0216 273 LEU B CG 6303 C CD1 . LEU B 275 ? 0.5416 0.3905 0.4020 -0.0267 -0.1298 0.0272 273 LEU B CD1 6304 C CD2 . LEU B 275 ? 0.2964 0.1591 0.1804 -0.0186 -0.1183 0.0106 273 LEU B CD2 6305 N N . LEU B 276 ? 0.4661 0.2862 0.3942 0.0154 -0.1506 0.0230 274 LEU B N 6306 C CA . LEU B 276 ? 0.5635 0.3874 0.5149 0.0308 -0.1546 0.0236 274 LEU B CA 6307 C C . LEU B 276 ? 0.6157 0.4265 0.5789 0.0419 -0.1478 0.0121 274 LEU B C 6308 O O . LEU B 276 ? 0.5837 0.3992 0.5682 0.0566 -0.1463 0.0096 274 LEU B O 6309 C CB . LEU B 276 ? 0.4973 0.3173 0.4541 0.0304 -0.1647 0.0382 274 LEU B CB 6310 C CG . LEU B 276 ? 0.5417 0.3771 0.4847 0.0173 -0.1667 0.0452 274 LEU B CG 6311 C CD1 . LEU B 276 ? 0.4125 0.2456 0.3589 0.0154 -0.1759 0.0588 274 LEU B CD1 6312 C CD2 . LEU B 276 ? 0.3362 0.1979 0.2881 0.0191 -0.1617 0.0389 274 LEU B CD2 6313 N N . ASN B 277 ? 0.4986 0.2933 0.4480 0.0344 -0.1430 0.0046 275 ASN B N 6314 C CA . ASN B 277 ? 0.4936 0.2739 0.4472 0.0422 -0.1362 -0.0092 275 ASN B CA 6315 C C . ASN B 277 ? 0.5597 0.3560 0.5070 0.0406 -0.1261 -0.0237 275 ASN B C 6316 O O . ASN B 277 ? 0.6038 0.3898 0.5507 0.0473 -0.1196 -0.0366 275 ASN B O 6317 C CB . ASN B 277 ? 0.4947 0.2411 0.4387 0.0357 -0.1399 -0.0088 275 ASN B CB 6318 C CG . ASN B 277 ? 0.6613 0.3853 0.6164 0.0443 -0.1482 0.0030 275 ASN B CG 6319 O OD1 . ASN B 277 ? 0.6145 0.3357 0.5867 0.0593 -0.1433 -0.0017 275 ASN B OD1 6320 N ND2 . ASN B 277 ? 0.6398 0.3585 0.5860 0.0331 -0.1560 0.0184 275 ASN B ND2 6321 N N . GLU B 278 ? 0.4986 0.3179 0.4393 0.0322 -0.1244 -0.0215 276 GLU B N 6322 C CA . GLU B 278 ? 0.4947 0.3294 0.4292 0.0304 -0.1165 -0.0322 276 GLU B CA 6323 C C . GLU B 278 ? 0.5057 0.3503 0.4496 0.0436 -0.1088 -0.0404 276 GLU B C 6324 O O . GLU B 278 ? 0.6147 0.4586 0.5499 0.0445 -0.1023 -0.0517 276 GLU B O 6325 C CB . GLU B 278 ? 0.5572 0.4126 0.4862 0.0215 -0.1157 -0.0268 276 GLU B CB 6326 C CG . GLU B 278 ? 0.6783 0.5281 0.5975 0.0078 -0.1182 -0.0219 276 GLU B CG 6327 C CD . GLU B 278 ? 0.7660 0.6343 0.6813 0.0014 -0.1147 -0.0168 276 GLU B CD 6328 O OE1 . GLU B 278 ? 0.7401 0.6210 0.6579 0.0059 -0.1129 -0.0153 276 GLU B OE1 6329 O OE2 . GLU B 278 ? 0.8304 0.7001 0.7413 -0.0085 -0.1131 -0.0145 276 GLU B OE2 6330 N N . ALA B 279 ? 0.4826 0.3368 0.4441 0.0529 -0.1097 -0.0339 277 ALA B N 6331 C CA . ALA B 279 ? 0.3895 0.2578 0.3659 0.0654 -0.1008 -0.0392 277 ALA B CA 6332 C C . ALA B 279 ? 0.5547 0.4050 0.5323 0.0763 -0.0925 -0.0513 277 ALA B C 6333 O O . ALA B 279 ? 0.7212 0.5823 0.7049 0.0851 -0.0810 -0.0589 277 ALA B O 6334 C CB . ALA B 279 ? 0.3835 0.2667 0.3841 0.0719 -0.1063 -0.0274 277 ALA B CB 6335 N N . PHE B 280 ? 0.5753 0.3964 0.5463 0.0754 -0.0972 -0.0534 278 PHE B N 6336 C CA . PHE B 280 ? 0.5848 0.3823 0.5572 0.0871 -0.0891 -0.0655 278 PHE B CA 6337 C C . PHE B 280 ? 0.6142 0.3915 0.5583 0.0790 -0.0849 -0.0813 278 PHE B C 6338 O O . PHE B 280 ? 0.7356 0.4894 0.6740 0.0871 -0.0767 -0.0945 278 PHE B O 6339 C CB . PHE B 280 ? 0.4748 0.2472 0.4610 0.0941 -0.0969 -0.0577 278 PHE B CB 6340 C CG . PHE B 280 ? 0.5795 0.3706 0.5941 0.1028 -0.1035 -0.0416 278 PHE B CG 6341 C CD1 . PHE B 280 ? 0.6278 0.4409 0.6687 0.1180 -0.0947 -0.0424 278 PHE B CD1 6342 C CD2 . PHE B 280 ? 0.5961 0.3841 0.6109 0.0946 -0.1187 -0.0249 278 PHE B CD2 6343 C CE1 . PHE B 280 ? 0.6535 0.4870 0.7238 0.1246 -0.1035 -0.0264 278 PHE B CE1 6344 C CE2 . PHE B 280 ? 0.6008 0.4062 0.6388 0.1007 -0.1275 -0.0095 278 PHE B CE2 6345 C CZ . PHE B 280 ? 0.6236 0.4540 0.6907 0.1148 -0.1203 -0.0100 278 PHE B CZ 6346 N N . VAL B 281 ? 0.5912 0.3772 0.5178 0.0630 -0.0906 -0.0801 279 VAL B N 6347 C CA . VAL B 281 ? 0.6611 0.4286 0.5626 0.0521 -0.0915 -0.0924 279 VAL B CA 6348 C C . VAL B 281 ? 0.6968 0.4687 0.5808 0.0551 -0.0808 -0.1071 279 VAL B C 6349 O O . VAL B 281 ? 0.7385 0.4946 0.6051 0.0490 -0.0767 -0.1171 279 VAL B O 6350 C CB . VAL B 281 ? 0.6366 0.4134 0.5303 0.0341 -0.1021 -0.0845 279 VAL B CB 6351 C CG1 . VAL B 281 ? 0.6191 0.3886 0.5247 0.0301 -0.1105 -0.0704 279 VAL B CG1 6352 C CG2 . VAL B 281 ? 0.4682 0.2788 0.3628 0.0316 -0.1001 -0.0794 279 VAL B CG2 6353 N N . VAL B 282 ? 0.7673 0.5679 0.6585 0.0610 -0.0733 -0.1037 280 VAL B N 6354 C CA . VAL B 282 ? 0.9221 0.7276 0.7952 0.0639 -0.0615 -0.1155 280 VAL B CA 6355 C C . VAL B 282 ? 1.0731 0.8780 0.9609 0.0820 -0.0454 -0.1213 280 VAL B C 6356 O O . VAL B 282 ? 1.0302 0.8598 0.9441 0.0899 -0.0416 -0.1111 280 VAL B O 6357 C CB . VAL B 282 ? 1.0870 0.9233 0.9555 0.0568 -0.0625 -0.1078 280 VAL B CB 6358 C CG1 . VAL B 282 ? 1.0469 0.9066 0.9418 0.0590 -0.0657 -0.0921 280 VAL B CG1 6359 C CG2 . VAL B 282 ? 1.1498 0.9938 1.0030 0.0618 -0.0482 -0.1162 280 VAL B CG2 6360 N N . PRO B 283 ? 1.2056 0.9826 1.0780 0.0878 -0.0353 -0.1375 281 PRO B N 6361 C CA . PRO B 283 ? 1.1450 0.9160 1.0341 0.1062 -0.0174 -0.1444 281 PRO B CA 6362 C C . PRO B 283 ? 1.1304 0.9333 1.0367 0.1177 -0.0030 -0.1416 281 PRO B C 6363 O O . PRO B 283 ? 1.1740 0.9865 1.1153 0.1334 0.0048 -0.1369 281 PRO B O 6364 C CB . PRO B 283 ? 1.1331 0.8790 0.9932 0.0995 -0.0060 -0.1604 281 PRO B CB 6365 C CG . PRO B 283 ? 1.2113 0.9593 1.0402 0.0780 -0.0181 -0.1607 281 PRO B CG 6366 C CD . PRO B 283 ? 1.2413 1.0011 1.0841 0.0712 -0.0379 -0.1454 281 PRO B CD 6367 N N . TYR B 284 ? 1.0087 0.8304 0.8945 0.1085 0.0006 -0.1417 282 TYR B N 6368 C CA . TYR B 284 ? 1.0222 0.8768 0.9262 0.1152 0.0143 -0.1355 282 TYR B CA 6369 C C . TYR B 284 ? 1.0499 0.9310 0.9507 0.1018 0.0041 -0.1218 282 TYR B C 6370 O O . TYR B 284 ? 1.0868 0.9778 0.9658 0.0960 0.0115 -0.1235 282 TYR B O 6371 C CB . TYR B 284 ? 0.9884 0.8367 0.8697 0.1215 0.0377 -0.1513 282 TYR B CB 6372 C CG . TYR B 284 ? 1.0073 0.8361 0.9031 0.1401 0.0543 -0.1638 282 TYR B CG 6373 C CD1 . TYR B 284 ? 0.9785 0.8301 0.9223 0.1569 0.0653 -0.1561 282 TYR B CD1 6374 C CD2 . TYR B 284 ? 1.0053 0.8007 0.8766 0.1337 0.0589 -0.1774 282 TYR B CD2 6375 C CE1 . TYR B 284 ? 1.0449 0.8822 1.0095 0.1721 0.0815 -0.1638 282 TYR B CE1 6376 C CE2 . TYR B 284 ? 1.0562 0.8365 0.9468 0.1466 0.0752 -0.1862 282 TYR B CE2 6377 C CZ . TYR B 284 ? 1.0932 0.8937 1.0309 0.1664 0.0870 -0.1791 282 TYR B CZ 6378 O OH . TYR B 284 ? 1.1527 0.9402 1.1155 0.1800 0.1028 -0.1878 282 TYR B OH 6379 N N . GLY B 285 ? 0.9801 0.8704 0.9011 0.0970 -0.0122 -0.1080 283 GLY B N 6380 C CA . GLY B 285 ? 1.0085 0.9196 0.9277 0.0856 -0.0210 -0.0959 283 GLY B CA 6381 C C . GLY B 285 ? 0.9620 0.9016 0.8994 0.0889 -0.0102 -0.0886 283 GLY B C 6382 O O . GLY B 285 ? 1.0093 0.9577 0.9680 0.1004 0.0031 -0.0908 283 GLY B O 6383 N N . THR B 286 ? 0.7976 0.7514 0.7285 0.0786 -0.0155 -0.0795 284 THR B N 6384 C CA . THR B 286 ? 0.6907 0.6696 0.6372 0.0779 -0.0075 -0.0709 284 THR B CA 6385 C C . THR B 286 ? 0.6617 0.6507 0.6254 0.0710 -0.0217 -0.0581 284 THR B C 6386 O O . THR B 286 ? 0.7121 0.6891 0.6714 0.0670 -0.0352 -0.0565 284 THR B O 6387 C CB . THR B 286 ? 0.7291 0.7104 0.6463 0.0709 -0.0002 -0.0715 284 THR B CB 6388 O OG1 . THR B 286 ? 0.7097 0.6861 0.6110 0.0606 -0.0146 -0.0656 284 THR B OG1 6389 C CG2 . THR B 286 ? 0.6737 0.6385 0.5615 0.0745 0.0109 -0.0859 284 THR B CG2 6390 N N . PRO B 287 ? 0.5947 0.6047 0.5768 0.0682 -0.0181 -0.0492 285 PRO B N 6391 C CA . PRO B 287 ? 0.4759 0.4906 0.4663 0.0594 -0.0315 -0.0390 285 PRO B CA 6392 C C . PRO B 287 ? 0.5368 0.5403 0.5008 0.0505 -0.0379 -0.0376 285 PRO B C 6393 O O . PRO B 287 ? 0.5912 0.5925 0.5567 0.0441 -0.0478 -0.0317 285 PRO B O 6394 C CB . PRO B 287 ? 0.4244 0.4617 0.4360 0.0564 -0.0247 -0.0315 285 PRO B CB 6395 C CG . PRO B 287 ? 0.4144 0.4634 0.4440 0.0674 -0.0100 -0.0362 285 PRO B CG 6396 C CD . PRO B 287 ? 0.4894 0.5194 0.4906 0.0732 -0.0023 -0.0482 285 PRO B CD 6397 N N . LEU B 288 ? 0.5876 0.5842 0.5276 0.0505 -0.0322 -0.0428 286 LEU B N 6398 C CA . LEU B 288 ? 0.6862 0.6746 0.6047 0.0440 -0.0389 -0.0406 286 LEU B CA 6399 C C . LEU B 288 ? 0.9875 0.9612 0.8917 0.0440 -0.0465 -0.0476 286 LEU B C 6400 O O . LEU B 288 ? 1.0801 1.0500 0.9694 0.0390 -0.0526 -0.0458 286 LEU B O 6401 C CB . LEU B 288 ? 0.6470 0.6392 0.5471 0.0419 -0.0303 -0.0389 286 LEU B CB 6402 C CG . LEU B 288 ? 0.7042 0.7072 0.6143 0.0375 -0.0260 -0.0288 286 LEU B CG 6403 C CD1 . LEU B 288 ? 0.7806 0.7935 0.6885 0.0388 -0.0107 -0.0287 286 LEU B CD1 6404 C CD2 . LEU B 288 ? 0.6401 0.6370 0.5367 0.0322 -0.0327 -0.0215 286 LEU B CD2 6405 N N . SER B 289 ? 1.0244 0.9897 0.9348 0.0495 -0.0464 -0.0548 287 SER B N 6406 C CA . SER B 289 ? 0.9053 0.8535 0.8018 0.0477 -0.0536 -0.0620 287 SER B CA 6407 C C . SER B 289 ? 0.6637 0.6094 0.5658 0.0413 -0.0657 -0.0556 287 SER B C 6408 O O . SER B 289 ? 0.5488 0.4980 0.4672 0.0415 -0.0689 -0.0494 287 SER B O 6409 C CB . SER B 289 ? 0.9589 0.8936 0.8598 0.0557 -0.0493 -0.0717 287 SER B CB 6410 O OG . SER B 289 ? 0.8289 0.7539 0.7073 0.0578 -0.0405 -0.0833 287 SER B OG 6411 N N . VAL B 290 ? 0.5773 0.5182 0.4648 0.0350 -0.0722 -0.0568 288 VAL B N 6412 C CA . VAL B 290 ? 0.5390 0.4791 0.4313 0.0284 -0.0813 -0.0515 288 VAL B CA 6413 C C . VAL B 290 ? 0.5828 0.5062 0.4708 0.0255 -0.0872 -0.0583 288 VAL B C 6414 O O . VAL B 290 ? 0.5682 0.4864 0.4443 0.0211 -0.0880 -0.0632 288 VAL B O 6415 C CB . VAL B 290 ? 0.4544 0.4057 0.3424 0.0231 -0.0826 -0.0451 288 VAL B CB 6416 C CG1 . VAL B 290 ? 0.3580 0.3126 0.2571 0.0161 -0.0867 -0.0392 288 VAL B CG1 6417 C CG2 . VAL B 290 ? 0.4679 0.4292 0.3584 0.0263 -0.0786 -0.0386 288 VAL B CG2 6418 N N . ASN B 291 ? 0.5410 0.4564 0.4406 0.0265 -0.0894 -0.0560 289 ASN B N 6419 C CA . ASN B 291 ? 0.5859 0.4809 0.4829 0.0247 -0.0940 -0.0614 289 ASN B CA 6420 C C . ASN B 291 ? 0.5576 0.4509 0.4505 0.0131 -0.0998 -0.0597 289 ASN B C 6421 O O . ASN B 291 ? 0.6230 0.5037 0.5070 0.0089 -0.1012 -0.0666 289 ASN B O 6422 C CB . ASN B 291 ? 0.6358 0.5240 0.5466 0.0274 -0.0963 -0.0549 289 ASN B CB 6423 C CG . ASN B 291 ? 0.6523 0.5442 0.5751 0.0390 -0.0907 -0.0550 289 ASN B CG 6424 O OD1 . ASN B 291 ? 0.6766 0.5653 0.5971 0.0465 -0.0834 -0.0636 289 ASN B OD1 6425 N ND2 . ASN B 291 ? 0.4771 0.3763 0.4129 0.0400 -0.0938 -0.0454 289 ASN B ND2 6426 N N . PHE B 292 ? 0.4749 0.3829 0.3775 0.0076 -0.1003 -0.0497 290 PHE B N 6427 C CA . PHE B 292 ? 0.4867 0.4010 0.3930 -0.0027 -0.1036 -0.0459 290 PHE B CA 6428 C C . PHE B 292 ? 0.5361 0.4728 0.4491 -0.0031 -0.1008 -0.0391 290 PHE B C 6429 O O . PHE B 292 ? 0.6012 0.5442 0.5208 -0.0010 -0.0979 -0.0333 290 PHE B O 6430 C CB . PHE B 292 ? 0.5210 0.4252 0.4326 -0.0091 -0.1079 -0.0414 290 PHE B CB 6431 C CG . PHE B 292 ? 0.5472 0.4252 0.4526 -0.0102 -0.1127 -0.0470 290 PHE B CG 6432 C CD1 . PHE B 292 ? 0.5084 0.3768 0.4100 -0.0191 -0.1164 -0.0512 290 PHE B CD1 6433 C CD2 . PHE B 292 ? 0.5020 0.3639 0.4065 -0.0024 -0.1141 -0.0478 290 PHE B CD2 6434 C CE1 . PHE B 292 ? 0.4518 0.2918 0.3474 -0.0199 -0.1196 -0.0565 290 PHE B CE1 6435 C CE2 . PHE B 292 ? 0.4871 0.3227 0.3890 -0.0014 -0.1170 -0.0517 290 PHE B CE2 6436 C CZ . PHE B 292 ? 0.4783 0.3000 0.3739 -0.0103 -0.1200 -0.0570 290 PHE B CZ 6437 N N . GLY B 293 ? 0.4530 0.3995 0.3626 -0.0060 -0.1027 -0.0399 291 GLY B N 6438 C CA . GLY B 293 ? 0.4431 0.4090 0.3598 -0.0052 -0.1027 -0.0327 291 GLY B CA 6439 C C . GLY B 293 ? 0.4462 0.4249 0.3681 -0.0130 -0.1107 -0.0300 291 GLY B C 6440 O O . GLY B 293 ? 0.4571 0.4304 0.3792 -0.0213 -0.1162 -0.0334 291 GLY B O 6441 N N . PRO B 294 ? 0.5492 0.5451 0.4768 -0.0104 -0.1126 -0.0231 292 PRO B N 6442 C CA . PRO B 294 ? 0.4662 0.4790 0.4022 -0.0164 -0.1221 -0.0184 292 PRO B CA 6443 C C . PRO B 294 ? 0.4323 0.4386 0.3528 -0.0241 -0.1273 -0.0259 292 PRO B C 6444 O O . PRO B 294 ? 0.4715 0.4644 0.3716 -0.0219 -0.1229 -0.0332 292 PRO B O 6445 C CB . PRO B 294 ? 0.3861 0.4117 0.3234 -0.0089 -0.1218 -0.0103 292 PRO B CB 6446 C CG . PRO B 294 ? 0.4039 0.4229 0.3443 -0.0004 -0.1133 -0.0085 292 PRO B CG 6447 C CD . PRO B 294 ? 0.4377 0.4377 0.3664 -0.0012 -0.1069 -0.0179 292 PRO B CD 6448 N N . THR B 295 ? 0.3850 0.4005 0.3153 -0.0336 -0.1368 -0.0246 293 THR B N 6449 C CA . THR B 295 ? 0.5755 0.5856 0.4897 -0.0419 -0.1438 -0.0317 293 THR B CA 6450 C C . THR B 295 ? 0.5627 0.5958 0.4921 -0.0482 -0.1562 -0.0241 293 THR B C 6451 O O . THR B 295 ? 0.5713 0.6241 0.5273 -0.0462 -0.1584 -0.0135 293 THR B O 6452 C CB . THR B 295 ? 0.7194 0.7065 0.6250 -0.0503 -0.1440 -0.0422 293 THR B CB 6453 O OG1 . THR B 295 ? 0.6241 0.6161 0.5515 -0.0574 -0.1477 -0.0373 293 THR B OG1 6454 C CG2 . THR B 295 ? 0.7899 0.7537 0.6814 -0.0426 -0.1333 -0.0496 293 THR B CG2 6455 N N . VAL B 296 ? 0.5368 0.5674 0.4502 -0.0557 -0.1646 -0.0295 294 VAL B N 6456 C CA . VAL B 296 ? 0.7216 0.7723 0.6495 -0.0640 -0.1789 -0.0230 294 VAL B CA 6457 C C . VAL B 296 ? 0.6926 0.7422 0.6372 -0.0767 -0.1838 -0.0246 294 VAL B C 6458 O O . VAL B 296 ? 0.7396 0.7699 0.6675 -0.0863 -0.1864 -0.0351 294 VAL B O 6459 C CB . VAL B 296 ? 0.8293 0.8756 0.7302 -0.0690 -0.1877 -0.0285 294 VAL B CB 6460 C CG1 . VAL B 296 ? 0.7500 0.8163 0.6662 -0.0793 -0.2048 -0.0216 294 VAL B CG1 6461 C CG2 . VAL B 296 ? 0.8133 0.8617 0.6979 -0.0576 -0.1830 -0.0249 294 VAL B CG2 6462 N N . ASP B 297 ? 0.6431 0.7128 0.6211 -0.0770 -0.1843 -0.0138 295 ASP B N 6463 C CA . ASP B 297 ? 0.6483 0.7184 0.6446 -0.0898 -0.1869 -0.0135 295 ASP B CA 6464 C C . ASP B 297 ? 0.7100 0.8026 0.7264 -0.1023 -0.2013 -0.0075 295 ASP B C 6465 O O . ASP B 297 ? 0.7587 0.8495 0.7856 -0.1164 -0.2055 -0.0086 295 ASP B O 6466 C CB . ASP B 297 ? 0.6061 0.6858 0.6280 -0.0852 -0.1779 -0.0053 295 ASP B CB 6467 C CG . ASP B 297 ? 0.5688 0.6809 0.6204 -0.0760 -0.1782 0.0084 295 ASP B CG 6468 O OD1 . ASP B 297 ? 0.6670 0.7877 0.7128 -0.0689 -0.1830 0.0113 295 ASP B OD1 6469 O OD2 . ASP B 297 ? 0.4544 0.5828 0.5358 -0.0756 -0.1728 0.0169 295 ASP B OD2 6470 N N . GLY B 298 ? 0.6848 0.7981 0.7068 -0.0975 -0.2093 -0.0002 296 GLY B N 6471 C CA . GLY B 298 ? 0.7278 0.8670 0.7735 -0.1078 -0.2241 0.0080 296 GLY B CA 6472 C C . GLY B 298 ? 0.7802 0.9527 0.8748 -0.1059 -0.2218 0.0228 296 GLY B C 6473 O O . GLY B 298 ? 0.8306 1.0285 0.9540 -0.1155 -0.2321 0.0309 296 GLY B O 6474 N N . ASP B 299 ? 0.7065 0.8800 0.8116 -0.0937 -0.2077 0.0265 297 ASP B N 6475 C CA . ASP B 299 ? 0.6392 0.8433 0.7910 -0.0902 -0.2011 0.0397 297 ASP B CA 6476 C C . ASP B 299 ? 0.5688 0.7820 0.7284 -0.0703 -0.1935 0.0473 297 ASP B C 6477 O O . ASP B 299 ? 0.5538 0.7910 0.7358 -0.0630 -0.1988 0.0581 297 ASP B O 6478 C CB . ASP B 299 ? 0.6366 0.8298 0.7935 -0.0970 -0.1896 0.0366 297 ASP B CB 6479 C CG . ASP B 299 ? 0.6769 0.9050 0.8850 -0.0994 -0.1822 0.0497 297 ASP B CG 6480 O OD1 . ASP B 299 ? 0.6606 0.9211 0.9025 -0.0912 -0.1832 0.0612 297 ASP B OD1 6481 O OD2 . ASP B 299 ? 0.7162 0.9392 0.9315 -0.1090 -0.1736 0.0490 297 ASP B OD2 6482 N N . PHE B 300 ? 0.5791 0.7715 0.7199 -0.0617 -0.1817 0.0419 298 PHE B N 6483 C CA . PHE B 300 ? 0.5669 0.7610 0.7089 -0.0434 -0.1740 0.0475 298 PHE B CA 6484 C C . PHE B 300 ? 0.5985 0.7828 0.7120 -0.0375 -0.1819 0.0458 298 PHE B C 6485 O O . PHE B 300 ? 0.6614 0.8602 0.7893 -0.0263 -0.1835 0.0561 298 PHE B O 6486 C CB . PHE B 300 ? 0.5897 0.7604 0.7132 -0.0383 -0.1617 0.0408 298 PHE B CB 6487 C CG . PHE B 300 ? 0.6281 0.8015 0.7589 -0.0206 -0.1526 0.0476 298 PHE B CG 6488 C CD1 . PHE B 300 ? 0.5930 0.7868 0.7623 -0.0123 -0.1404 0.0572 298 PHE B CD1 6489 C CD2 . PHE B 300 ? 0.6652 0.8190 0.7644 -0.0117 -0.1524 0.0438 298 PHE B CD2 6490 C CE1 . PHE B 300 ? 0.4576 0.6445 0.6276 0.0056 -0.1260 0.0599 298 PHE B CE1 6491 C CE2 . PHE B 300 ? 0.6303 0.7834 0.7359 0.0037 -0.1441 0.0505 298 PHE B CE2 6492 C CZ . PHE B 300 ? 0.4763 0.6437 0.6164 0.0127 -0.1305 0.0578 298 PHE B CZ 6493 N N . LEU B 301 ? 0.6255 0.7843 0.6992 -0.0447 -0.1854 0.0330 299 LEU B N 6494 C CA . LEU B 301 ? 0.6671 0.8173 0.7115 -0.0423 -0.1924 0.0306 299 LEU B CA 6495 C C . LEU B 301 ? 0.7349 0.8900 0.7742 -0.0568 -0.2075 0.0278 299 LEU B C 6496 O O . LEU B 301 ? 0.6851 0.8209 0.7019 -0.0677 -0.2085 0.0155 299 LEU B O 6497 C CB . LEU B 301 ? 0.6107 0.7308 0.6152 -0.0395 -0.1833 0.0181 299 LEU B CB 6498 C CG . LEU B 301 ? 0.5947 0.7089 0.5909 -0.0248 -0.1735 0.0221 299 LEU B CG 6499 C CD1 . LEU B 301 ? 0.5604 0.6487 0.5196 -0.0246 -0.1652 0.0100 299 LEU B CD1 6500 C CD2 . LEU B 301 ? 0.5353 0.6642 0.5370 -0.0177 -0.1812 0.0340 299 LEU B CD2 6501 N N . THR B 302 ? 0.8081 0.9878 0.8683 -0.0566 -0.2195 0.0395 300 THR B N 6502 C CA . THR B 302 ? 0.8689 1.0575 0.9295 -0.0716 -0.2362 0.0390 300 THR B CA 6503 C C . THR B 302 ? 0.8593 1.0250 0.8730 -0.0777 -0.2434 0.0280 300 THR B C 6504 O O . THR B 302 ? 0.8896 1.0545 0.8945 -0.0923 -0.2565 0.0235 300 THR B O 6505 C CB . THR B 302 ? 0.8153 1.0390 0.9142 -0.0691 -0.2481 0.0562 300 THR B CB 6506 O OG1 . THR B 302 ? 0.7701 0.9954 0.8622 -0.0543 -0.2483 0.0648 300 THR B OG1 6507 C CG2 . THR B 302 ? 0.7450 0.9939 0.8944 -0.0658 -0.2399 0.0656 300 THR B CG2 6508 N N . ASP B 303 ? 0.8482 0.9953 0.8322 -0.0673 -0.2340 0.0235 301 ASP B N 6509 C CA . ASP B 303 ? 0.9166 1.0439 0.8564 -0.0712 -0.2379 0.0140 301 ASP B CA 6510 C C . ASP B 303 ? 0.7800 0.8883 0.6957 -0.0591 -0.2216 0.0090 301 ASP B C 6511 O O . ASP B 303 ? 0.7951 0.9068 0.7286 -0.0482 -0.2103 0.0142 301 ASP B O 6512 C CB . ASP B 303 ? 1.0922 1.2348 1.0288 -0.0723 -0.2546 0.0249 301 ASP B CB 6513 C CG . ASP B 303 ? 1.2251 1.3525 1.1221 -0.0851 -0.2656 0.0146 301 ASP B CG 6514 O OD1 . ASP B 303 ? 1.2686 1.3700 1.1303 -0.0857 -0.2556 0.0002 301 ASP B OD1 6515 O OD2 . ASP B 303 ? 1.1883 1.3304 1.0903 -0.0947 -0.2844 0.0211 301 ASP B OD2 6516 N N . MET B 304 ? 0.7377 0.8266 0.6137 -0.0616 -0.2202 -0.0011 302 MET B N 6517 C CA . MET B 304 ? 0.7959 0.8691 0.6497 -0.0516 -0.2048 -0.0055 302 MET B CA 6518 C C . MET B 304 ? 0.8301 0.9160 0.6927 -0.0392 -0.2043 0.0102 302 MET B C 6519 O O . MET B 304 ? 0.8804 0.9778 0.7418 -0.0399 -0.2174 0.0203 302 MET B O 6520 C CB . MET B 304 ? 0.8483 0.9007 0.6584 -0.0576 -0.2039 -0.0188 302 MET B CB 6521 C CG . MET B 304 ? 0.8288 0.8625 0.6187 -0.0506 -0.1855 -0.0280 302 MET B CG 6522 S SD . MET B 304 ? 2.2958 2.3082 2.0863 -0.0550 -0.1744 -0.0450 302 MET B SD 6523 C CE . MET B 304 ? 0.8022 0.8029 0.5833 -0.0432 -0.1542 -0.0478 302 MET B CE 6524 N N . PRO B 305 ? 0.8094 0.8921 0.6814 -0.0284 -0.1901 0.0128 303 PRO B N 6525 C CA . PRO B 305 ? 0.7998 0.8917 0.6854 -0.0161 -0.1880 0.0278 303 PRO B CA 6526 C C . PRO B 305 ? 0.7159 0.8051 0.5761 -0.0133 -0.1932 0.0354 303 PRO B C 6527 O O . PRO B 305 ? 0.6680 0.7695 0.5427 -0.0077 -0.2017 0.0502 303 PRO B O 6528 C CB . PRO B 305 ? 0.8198 0.9003 0.7068 -0.0090 -0.1706 0.0239 303 PRO B CB 6529 C CG . PRO B 305 ? 0.8126 0.8867 0.7052 -0.0162 -0.1666 0.0116 303 PRO B CG 6530 C CD . PRO B 305 ? 0.8362 0.9048 0.7080 -0.0279 -0.1757 0.0020 303 PRO B CD 6531 N N . ASP B 306 ? 0.7496 0.8226 0.5727 -0.0170 -0.1876 0.0259 304 ASP B N 6532 C CA . ASP B 306 ? 0.7952 0.8635 0.5894 -0.0153 -0.1906 0.0330 304 ASP B CA 6533 C C . ASP B 306 ? 0.8299 0.9089 0.6201 -0.0216 -0.2106 0.0405 304 ASP B C 6534 O O . ASP B 306 ? 0.8842 0.9654 0.6634 -0.0182 -0.2174 0.0536 304 ASP B O 6535 C CB . ASP B 306 ? 0.9450 0.9947 0.7006 -0.0194 -0.1795 0.0194 304 ASP B CB 6536 C CG . ASP B 306 ? 1.1906 1.2317 0.9529 -0.0145 -0.1611 0.0122 304 ASP B CG 6537 O OD1 . ASP B 306 ? 1.2627 1.3025 1.0417 -0.0171 -0.1577 0.0026 304 ASP B OD1 6538 O OD2 . ASP B 306 ? 1.2099 1.2450 0.9606 -0.0089 -0.1508 0.0171 304 ASP B OD2 6539 N N . ILE B 307 ? 0.8159 0.9011 0.6158 -0.0316 -0.2206 0.0333 305 ILE B N 6540 C CA . ILE B 307 ? 0.8485 0.9460 0.6483 -0.0400 -0.2414 0.0400 305 ILE B CA 6541 C C . ILE B 307 ? 0.8500 0.9714 0.6928 -0.0333 -0.2511 0.0581 305 ILE B C 6542 O O . ILE B 307 ? 1.0341 1.1659 0.8763 -0.0328 -0.2655 0.0718 305 ILE B O 6543 C CB . ILE B 307 ? 0.9850 1.0794 0.7800 -0.0550 -0.2489 0.0256 305 ILE B CB 6544 C CG1 . ILE B 307 ? 0.9093 0.9795 0.6559 -0.0625 -0.2436 0.0091 305 ILE B CG1 6545 C CG2 . ILE B 307 ? 0.9552 1.0690 0.7655 -0.0641 -0.2716 0.0350 305 ILE B CG2 6546 C CD1 . ILE B 307 ? 0.8808 0.9434 0.6171 -0.0779 -0.2525 -0.0050 305 ILE B CD1 6547 N N . LEU B 308 ? 0.7246 0.8546 0.6045 -0.0279 -0.2429 0.0584 306 LEU B N 6548 C CA . LEU B 308 ? 0.6886 0.8411 0.6130 -0.0196 -0.2482 0.0745 306 LEU B CA 6549 C C . LEU B 308 ? 0.7376 0.8883 0.6605 -0.0060 -0.2462 0.0895 306 LEU B C 6550 O O . LEU B 308 ? 0.8032 0.9701 0.7459 -0.0017 -0.2586 0.1054 306 LEU B O 6551 C CB . LEU B 308 ? 0.7155 0.8721 0.6726 -0.0149 -0.2349 0.0707 306 LEU B CB 6552 C CG . LEU B 308 ? 0.6707 0.8482 0.6658 -0.0220 -0.2412 0.0715 306 LEU B CG 6553 C CD1 . LEU B 308 ? 0.6343 0.8160 0.6169 -0.0386 -0.2579 0.0664 306 LEU B CD1 6554 C CD2 . LEU B 308 ? 0.5988 0.7682 0.6032 -0.0225 -0.2259 0.0607 306 LEU B CD2 6555 N N . LEU B 309 ? 0.6930 0.8239 0.5935 0.0003 -0.2307 0.0852 307 LEU B N 6556 C CA . LEU B 309 ? 0.7866 0.9106 0.6821 0.0121 -0.2267 0.0987 307 LEU B CA 6557 C C . LEU B 309 ? 0.9752 1.0975 0.8417 0.0084 -0.2407 0.1079 307 LEU B C 6558 O O . LEU B 309 ? 0.9934 1.1218 0.8713 0.0163 -0.2483 0.1253 307 LEU B O 6559 C CB . LEU B 309 ? 0.7779 0.8809 0.6526 0.0161 -0.2076 0.0907 307 LEU B CB 6560 C CG . LEU B 309 ? 0.7711 0.8613 0.6336 0.0257 -0.2012 0.1030 307 LEU B CG 6561 C CD1 . LEU B 309 ? 0.8242 0.9214 0.7258 0.0387 -0.2005 0.1170 307 LEU B CD1 6562 C CD2 . LEU B 309 ? 0.7061 0.7779 0.5458 0.0254 -0.1834 0.0932 307 LEU B CD2 6563 N N . GLU B 310 ? 1.0097 1.1226 0.8379 -0.0036 -0.2436 0.0961 308 GLU B N 6564 C CA . GLU B 310 ? 1.0388 1.1479 0.8323 -0.0093 -0.2563 0.1027 308 GLU B CA 6565 C C . GLU B 310 ? 1.1154 1.2461 0.9304 -0.0126 -0.2792 0.1157 308 GLU B C 6566 O O . GLU B 310 ? 1.1632 1.2967 0.9695 -0.0100 -0.2909 0.1316 308 GLU B O 6567 C CB . GLU B 310 ? 1.0810 1.1753 0.8309 -0.0221 -0.2537 0.0847 308 GLU B CB 6568 C CG . GLU B 310 ? 1.2781 1.3647 0.9842 -0.0286 -0.2639 0.0901 308 GLU B CG 6569 C CD . GLU B 310 ? 1.4462 1.5227 1.1361 -0.0190 -0.2555 0.1038 308 GLU B CD 6570 O OE1 . GLU B 310 ? 1.4683 1.5358 1.1651 -0.0108 -0.2367 0.1014 308 GLU B OE1 6571 O OE2 . GLU B 310 ? 1.4955 1.5723 1.1652 -0.0206 -0.2683 0.1177 308 GLU B OE2 6572 N N . LEU B 311 ? 1.0492 1.1959 0.8939 -0.0187 -0.2858 0.1099 309 LEU B N 6573 C CA . LEU B 311 ? 0.9715 1.1423 0.8411 -0.0238 -0.3079 0.1215 309 LEU B CA 6574 C C . LEU B 311 ? 0.9866 1.1763 0.9037 -0.0090 -0.3101 0.1410 309 LEU B C 6575 O O . LEU B 311 ? 1.1036 1.3119 1.0373 -0.0090 -0.3286 0.1566 309 LEU B O 6576 C CB . LEU B 311 ? 0.9388 1.1198 0.8241 -0.0369 -0.3132 0.1089 309 LEU B CB 6577 C CG . LEU B 311 ? 1.0363 1.2082 0.8823 -0.0554 -0.3255 0.0965 309 LEU B CG 6578 C CD1 . LEU B 311 ? 1.1125 1.2565 0.9017 -0.0568 -0.3167 0.0874 309 LEU B CD1 6579 C CD2 . LEU B 311 ? 0.9369 1.1082 0.7942 -0.0664 -0.3221 0.0800 309 LEU B CD2 6580 N N . GLY B 312 ? 0.9037 1.0885 0.8430 0.0037 -0.2913 0.1401 310 GLY B N 6581 C CA . GLY B 312 ? 0.8452 1.0417 0.8252 0.0198 -0.2895 0.1571 310 GLY B CA 6582 C C . GLY B 312 ? 0.8061 1.0243 0.8404 0.0247 -0.2847 0.1578 310 GLY B C 6583 O O . GLY B 312 ? 0.7576 0.9886 0.8303 0.0383 -0.2839 0.1722 310 GLY B O 6584 N N . GLN B 313 ? 0.7832 1.0047 0.8212 0.0140 -0.2804 0.1426 311 GLN B N 6585 C CA . GLN B 313 ? 0.8015 1.0439 0.8891 0.0168 -0.2746 0.1430 311 GLN B CA 6586 C C . GLN B 313 ? 0.7351 0.9638 0.8300 0.0258 -0.2516 0.1349 311 GLN B C 6587 O O . GLN B 313 ? 0.6999 0.9187 0.7821 0.0178 -0.2429 0.1196 311 GLN B O 6588 C CB . GLN B 313 ? 0.8682 1.1245 0.9617 -0.0008 -0.2846 0.1339 311 GLN B CB 6589 C CG . GLN B 313 ? 0.9562 1.1904 0.9987 -0.0158 -0.2875 0.1175 311 GLN B CG 6590 C CD . GLN B 313 ? 1.1117 1.3540 1.1372 -0.0289 -0.3106 0.1212 311 GLN B CD 6591 O OE1 . GLN B 313 ? 1.1762 1.4309 1.2093 -0.0240 -0.3241 0.1373 311 GLN B OE1 6592 N NE2 . GLN B 313 ? 1.1802 1.4144 1.1826 -0.0459 -0.3159 0.1065 311 GLN B NE2 6593 N N . PHE B 314 ? 0.7477 0.9747 0.8631 0.0426 -0.2425 0.1456 312 PHE B N 6594 C CA . PHE B 314 ? 0.7304 0.9457 0.8567 0.0520 -0.2215 0.1400 312 PHE B CA 6595 C C . PHE B 314 ? 0.6940 0.9181 0.8598 0.0700 -0.2157 0.1548 312 PHE B C 6596 O O . PHE B 314 ? 0.7061 0.9418 0.8849 0.0753 -0.2280 0.1692 312 PHE B O 6597 C CB . PHE B 314 ? 0.6309 0.8142 0.7120 0.0520 -0.2115 0.1310 312 PHE B CB 6598 C CG . PHE B 314 ? 0.6692 0.8387 0.7237 0.0568 -0.2175 0.1410 312 PHE B CG 6599 C CD1 . PHE B 314 ? 0.6291 0.7907 0.6978 0.0722 -0.2112 0.1537 312 PHE B CD1 6600 C CD2 . PHE B 314 ? 0.7632 0.9258 0.7773 0.0457 -0.2285 0.1377 312 PHE B CD2 6601 C CE1 . PHE B 314 ? 0.6446 0.7921 0.6881 0.0758 -0.2168 0.1643 312 PHE B CE1 6602 C CE2 . PHE B 314 ? 0.8218 0.9718 0.8097 0.0494 -0.2334 0.1482 312 PHE B CE2 6603 C CZ . PHE B 314 ? 0.7155 0.8580 0.7182 0.0641 -0.2280 0.1622 312 PHE B CZ 6604 N N . LYS B 315 ? 0.6600 0.8775 0.8445 0.0796 -0.1966 0.1512 313 LYS B N 6605 C CA . LYS B 315 ? 0.6393 0.8621 0.8626 0.0977 -0.1867 0.1625 313 LYS B CA 6606 C C . LYS B 315 ? 0.7792 0.9807 0.9826 0.1076 -0.1895 0.1727 313 LYS B C 6607 O O . LYS B 315 ? 0.8124 0.9858 0.9776 0.1058 -0.1841 0.1671 313 LYS B O 6608 C CB . LYS B 315 ? 0.5023 0.7152 0.7392 0.1047 -0.1637 0.1537 313 LYS B CB 6609 C CG . LYS B 315 ? 0.4601 0.6909 0.7494 0.1190 -0.1506 0.1603 313 LYS B CG 6610 C CD . LYS B 315 ? 0.4295 0.6344 0.7201 0.1333 -0.1274 0.1565 313 LYS B CD 6611 C CE . LYS B 315 ? 0.4402 0.6611 0.7772 0.1443 -0.1081 0.1563 313 LYS B CE 6612 N NZ . LYS B 315 ? 0.5054 0.7611 0.8859 0.1486 -0.1166 0.1685 313 LYS B NZ 6613 N N . LYS B 316 ? 0.7999 1.0157 1.0303 0.1174 -0.1985 0.1886 314 LYS B N 6614 C CA . LYS B 316 ? 0.7224 0.9186 0.9403 0.1285 -0.2011 0.2012 314 LYS B CA 6615 C C . LYS B 316 ? 0.7166 0.8962 0.9582 0.1466 -0.1805 0.2030 314 LYS B C 6616 O O . LYS B 316 ? 0.8357 1.0321 1.1230 0.1592 -0.1749 0.2099 314 LYS B O 6617 C CB . LYS B 316 ? 0.6258 0.8439 0.8615 0.1311 -0.2218 0.2187 314 LYS B CB 6618 C CG . LYS B 316 ? 0.6702 0.9028 0.8808 0.1127 -0.2433 0.2172 314 LYS B CG 6619 C CD . LYS B 316 ? 0.6994 0.9035 0.8493 0.1023 -0.2451 0.2099 314 LYS B CD 6620 C CE . LYS B 316 ? 0.7244 0.9370 0.8474 0.0823 -0.2564 0.1979 314 LYS B CE 6621 N NZ . LYS B 316 ? 0.7764 1.0175 0.9164 0.0760 -0.2790 0.2081 314 LYS B NZ 6622 N N . THR B 317 ? 0.5852 0.7310 0.7956 0.1476 -0.1683 0.1965 315 THR B N 6623 C CA . THR B 317 ? 0.5589 0.6823 0.7846 0.1625 -0.1478 0.1955 315 THR B CA 6624 C C . THR B 317 ? 0.6055 0.6902 0.7895 0.1611 -0.1432 0.1948 315 THR B C 6625 O O . THR B 317 ? 0.6584 0.7374 0.8062 0.1509 -0.1561 0.1980 315 THR B O 6626 C CB . THR B 317 ? 0.6346 0.7628 0.8792 0.1627 -0.1290 0.1810 315 THR B CB 6627 O OG1 . THR B 317 ? 0.7193 0.8231 0.9766 0.1773 -0.1079 0.1789 315 THR B OG1 6628 C CG2 . THR B 317 ? 0.5305 0.6497 0.7382 0.1465 -0.1282 0.1666 315 THR B CG2 6629 N N . GLN B 318 ? 0.5538 0.5225 0.6544 0.1841 -0.1506 0.2076 316 GLN B N 6630 C CA . GLN B 318 ? 0.6254 0.5572 0.6965 0.1855 -0.1387 0.2067 316 GLN B CA 6631 C C . GLN B 318 ? 0.7102 0.6341 0.7613 0.1769 -0.1237 0.1905 316 GLN B C 6632 O O . GLN B 318 ? 0.8066 0.7400 0.8723 0.1755 -0.1193 0.1797 316 GLN B O 6633 C CB . GLN B 318 ? 0.7142 0.6042 0.7939 0.1981 -0.1427 0.2059 316 GLN B CB 6634 C CG . GLN B 318 ? 0.8700 0.7566 0.9649 0.2116 -0.1629 0.2158 316 GLN B CG 6635 C CD . GLN B 318 ? 0.9111 0.8134 1.0307 0.2225 -0.1777 0.2042 316 GLN B CD 6636 O OE1 . GLN B 318 ? 0.8157 0.7149 0.9452 0.2293 -0.1680 0.1907 316 GLN B OE1 6637 N NE2 . GLN B 318 ? 1.0127 0.9304 1.1362 0.2272 -0.2012 0.2066 316 GLN B NE2 6638 N N . ILE B 319 ? 0.6943 0.5979 0.7134 0.1696 -0.1192 0.1880 317 ILE B N 6639 C CA . ILE B 319 ? 0.7064 0.5971 0.7092 0.1586 -0.1106 0.1721 317 ILE B CA 6640 C C . ILE B 319 ? 0.6815 0.5284 0.6666 0.1552 -0.1038 0.1695 317 ILE B C 6641 O O . ILE B 319 ? 0.7606 0.5853 0.7375 0.1597 -0.1056 0.1800 317 ILE B O 6642 C CB . ILE B 319 ? 0.6870 0.5950 0.6691 0.1475 -0.1143 0.1661 317 ILE B CB 6643 C CG1 . ILE B 319 ? 0.7272 0.6260 0.6872 0.1461 -0.1203 0.1763 317 ILE B CG1 6644 C CG2 . ILE B 319 ? 0.6999 0.6483 0.6940 0.1490 -0.1195 0.1634 317 ILE B CG2 6645 C CD1 . ILE B 319 ? 0.7498 0.6544 0.6875 0.1329 -0.1241 0.1672 317 ILE B CD1 6646 N N . LEU B 320 ? 0.6349 0.4698 0.6116 0.1457 -0.0958 0.1535 318 LEU B N 6647 C CA . LEU B 320 ? 0.6600 0.4568 0.6158 0.1381 -0.0880 0.1459 318 LEU B CA 6648 C C . LEU B 320 ? 0.6244 0.4268 0.5643 0.1222 -0.0864 0.1324 318 LEU B C 6649 O O . LEU B 320 ? 0.6149 0.4333 0.5640 0.1185 -0.0849 0.1220 318 LEU B O 6650 C CB . LEU B 320 ? 0.7460 0.5220 0.7124 0.1438 -0.0798 0.1384 318 LEU B CB 6651 C CG . LEU B 320 ? 0.7859 0.5184 0.7334 0.1402 -0.0712 0.1335 318 LEU B CG 6652 C CD1 . LEU B 320 ? 0.8840 0.6010 0.8436 0.1485 -0.0642 0.1257 318 LEU B CD1 6653 C CD2 . LEU B 320 ? 0.7823 0.5047 0.7071 0.1227 -0.0663 0.1220 318 LEU B CD2 6654 N N . VAL B 321 ? 0.6819 0.4712 0.5987 0.1130 -0.0874 0.1331 319 VAL B N 6655 C CA . VAL B 321 ? 0.7023 0.4976 0.6058 0.0983 -0.0877 0.1217 319 VAL B CA 6656 C C . VAL B 321 ? 0.6862 0.4505 0.5692 0.0880 -0.0807 0.1164 319 VAL B C 6657 O O . VAL B 321 ? 0.7228 0.4622 0.5952 0.0908 -0.0779 0.1240 319 VAL B O 6658 C CB . VAL B 321 ? 0.6251 0.4379 0.5194 0.0954 -0.0965 0.1270 319 VAL B CB 6659 C CG1 . VAL B 321 ? 0.5975 0.4167 0.4817 0.0810 -0.0969 0.1143 319 VAL B CG1 6660 C CG2 . VAL B 321 ? 0.5784 0.4219 0.4910 0.1056 -0.1038 0.1346 319 VAL B CG2 6661 N N . GLY B 322 ? 0.5717 0.3375 0.4489 0.0759 -0.0780 0.1041 320 GLY B N 6662 C CA . GLY B 322 ? 0.5635 0.3044 0.4214 0.0649 -0.0718 0.1003 320 GLY B CA 6663 C C . GLY B 322 ? 0.6929 0.4404 0.5469 0.0520 -0.0701 0.0886 320 GLY B C 6664 O O . GLY B 322 ? 0.5755 0.3463 0.4416 0.0510 -0.0738 0.0821 320 GLY B O 6665 N N . VAL B 323 ? 0.6990 0.4258 0.5362 0.0418 -0.0642 0.0867 321 VAL B N 6666 C CA . VAL B 323 ? 0.5932 0.3252 0.4254 0.0295 -0.0624 0.0784 321 VAL B CA 6667 C C . VAL B 323 ? 0.6577 0.3667 0.4794 0.0194 -0.0535 0.0753 321 VAL B C 6668 O O . VAL B 323 ? 0.6698 0.3551 0.4826 0.0203 -0.0486 0.0801 321 VAL B O 6669 C CB . VAL B 323 ? 0.6767 0.4133 0.4951 0.0245 -0.0654 0.0811 321 VAL B CB 6670 C CG1 . VAL B 323 ? 0.5162 0.2774 0.3442 0.0310 -0.0743 0.0819 321 VAL B CG1 6671 C CG2 . VAL B 323 ? 0.6551 0.3686 0.4535 0.0231 -0.0623 0.0904 321 VAL B CG2 6672 N N . ASN B 324 ? 0.6589 0.3752 0.4822 0.0093 -0.0515 0.0676 322 ASN B N 6673 C CA . ASN B 324 ? 0.5841 0.2829 0.3981 -0.0036 -0.0432 0.0644 322 ASN B CA 6674 C C . ASN B 324 ? 0.6313 0.3236 0.4284 -0.0139 -0.0395 0.0681 322 ASN B C 6675 O O . ASN B 324 ? 0.6918 0.3967 0.4861 -0.0122 -0.0436 0.0701 322 ASN B O 6676 C CB . ASN B 324 ? 0.5251 0.2371 0.3506 -0.0101 -0.0432 0.0554 322 ASN B CB 6677 C CG . ASN B 324 ? 0.6169 0.3310 0.4557 -0.0020 -0.0446 0.0511 322 ASN B CG 6678 O OD1 . ASN B 324 ? 0.6899 0.3972 0.5314 0.0095 -0.0452 0.0551 322 ASN B OD1 6679 N ND2 . ASN B 324 ? 0.5863 0.3100 0.4334 -0.0081 -0.0448 0.0435 322 ASN B ND2 6680 N N . LYS B 325 ? 0.5991 0.2716 0.3843 -0.0256 -0.0308 0.0686 323 LYS B N 6681 C CA . LYS B 325 ? 0.6709 0.3373 0.4399 -0.0369 -0.0252 0.0725 323 LYS B CA 6682 C C . LYS B 325 ? 0.6752 0.3623 0.4480 -0.0440 -0.0253 0.0691 323 LYS B C 6683 O O . LYS B 325 ? 0.7194 0.4088 0.4810 -0.0455 -0.0243 0.0730 323 LYS B O 6684 C CB . LYS B 325 ? 0.7499 0.3949 0.5085 -0.0509 -0.0151 0.0723 323 LYS B CB 6685 C CG . LYS B 325 ? 0.7198 0.3590 0.4622 -0.0643 -0.0073 0.0766 323 LYS B CG 6686 C CD . LYS B 325 ? 0.8199 0.4406 0.5547 -0.0796 0.0025 0.0752 323 LYS B CD 6687 C CE . LYS B 325 ? 0.9999 0.6172 0.7202 -0.0944 0.0116 0.0795 323 LYS B CE 6688 N NZ . LYS B 325 ? 1.2126 0.8123 0.9261 -0.1102 0.0207 0.0779 323 LYS B NZ 6689 N N . ASP B 326 ? 0.6547 0.3562 0.4426 -0.0482 -0.0263 0.0622 324 ASP B N 6690 C CA . ASP B 326 ? 0.6948 0.4152 0.4878 -0.0551 -0.0257 0.0602 324 ASP B CA 6691 C C . ASP B 326 ? 0.5586 0.2996 0.3677 -0.0451 -0.0353 0.0562 324 ASP B C 6692 O O . ASP B 326 ? 0.6149 0.3684 0.4366 -0.0507 -0.0361 0.0520 324 ASP B O 6693 C CB . ASP B 326 ? 0.6757 0.3991 0.4726 -0.0738 -0.0172 0.0571 324 ASP B CB 6694 C CG . ASP B 326 ? 0.8431 0.5489 0.6249 -0.0858 -0.0069 0.0605 324 ASP B CG 6695 O OD1 . ASP B 326 ? 0.8171 0.5201 0.5858 -0.0882 -0.0020 0.0659 324 ASP B OD1 6696 O OD2 . ASP B 326 ? 0.9374 0.6319 0.7196 -0.0931 -0.0034 0.0573 324 ASP B OD2 6697 N N . GLU B 327 ? 0.5013 0.2471 0.3103 -0.0317 -0.0424 0.0578 325 GLU B N 6698 C CA . GLU B 327 ? 0.6015 0.3674 0.4265 -0.0222 -0.0512 0.0535 325 GLU B CA 6699 C C . GLU B 327 ? 0.6513 0.4320 0.4806 -0.0259 -0.0518 0.0515 325 GLU B C 6700 O O . GLU B 327 ? 0.6372 0.4343 0.4823 -0.0219 -0.0575 0.0472 325 GLU B O 6701 C CB . GLU B 327 ? 0.5760 0.3458 0.3999 -0.0108 -0.0575 0.0557 325 GLU B CB 6702 C CG . GLU B 327 ? 0.5942 0.3520 0.4169 -0.0041 -0.0579 0.0597 325 GLU B CG 6703 C CD . GLU B 327 ? 0.6506 0.4185 0.4918 0.0036 -0.0618 0.0560 325 GLU B CD 6704 O OE1 . GLU B 327 ? 0.7508 0.5355 0.6051 0.0031 -0.0647 0.0501 325 GLU B OE1 6705 O OE2 . GLU B 327 ? 0.7835 0.5420 0.6258 0.0105 -0.0614 0.0595 325 GLU B OE2 6706 N N . GLY B 328 ? 0.6155 0.3903 0.4302 -0.0332 -0.0450 0.0552 326 GLY B N 6707 C CA . GLY B 328 ? 0.6408 0.4269 0.4559 -0.0345 -0.0440 0.0548 326 GLY B CA 6708 C C . GLY B 328 ? 0.6088 0.4190 0.4455 -0.0427 -0.0369 0.0498 326 GLY B C 6709 O O . GLY B 328 ? 0.5894 0.4214 0.4387 -0.0395 -0.0352 0.0462 326 GLY B O 6710 N N . THR B 329 ? 0.6638 0.4718 0.5059 -0.0531 -0.0329 0.0491 327 THR B N 6711 C CA . THR B 329 ? 0.6773 0.5128 0.5399 -0.0632 -0.0260 0.0451 327 THR B CA 6712 C C . THR B 329 ? 0.6081 0.4700 0.4956 -0.0583 -0.0332 0.0397 327 THR B C 6713 O O . THR B 329 ? 0.6780 0.5681 0.5833 -0.0593 -0.0299 0.0379 327 THR B O 6714 C CB . THR B 329 ? 0.5393 0.3656 0.3980 -0.0801 -0.0187 0.0457 327 THR B CB 6715 O OG1 . THR B 329 ? 0.5337 0.3416 0.3895 -0.0801 -0.0250 0.0438 327 THR B OG1 6716 C CG2 . THR B 329 ? 0.4536 0.2553 0.2872 -0.0860 -0.0100 0.0522 327 THR B CG2 6717 N N . ALA B 330 ? 0.6400 0.4930 0.5285 -0.0521 -0.0426 0.0380 328 ALA B N 6718 C CA . ALA B 330 ? 0.6227 0.4975 0.5312 -0.0477 -0.0497 0.0337 328 ALA B CA 6719 C C . ALA B 330 ? 0.6307 0.5270 0.5509 -0.0391 -0.0510 0.0334 328 ALA B C 6720 O O . ALA B 330 ? 0.6851 0.6063 0.6244 -0.0395 -0.0525 0.0314 328 ALA B O 6721 C CB . ALA B 330 ? 0.5942 0.4542 0.4989 -0.0400 -0.0584 0.0327 328 ALA B CB 6722 N N . PHE B 331 ? 0.5186 0.4036 0.4255 -0.0316 -0.0502 0.0356 329 PHE B N 6723 C CA . PHE B 331 ? 0.4805 0.3780 0.3940 -0.0225 -0.0510 0.0343 329 PHE B CA 6724 C C . PHE B 331 ? 0.5459 0.4615 0.4678 -0.0242 -0.0401 0.0343 329 PHE B C 6725 O O . PHE B 331 ? 0.5484 0.4776 0.4810 -0.0164 -0.0395 0.0330 329 PHE B O 6726 C CB . PHE B 331 ? 0.4554 0.3326 0.3493 -0.0148 -0.0557 0.0353 329 PHE B CB 6727 C CG . PHE B 331 ? 0.5346 0.3972 0.4222 -0.0124 -0.0657 0.0367 329 PHE B CG 6728 C CD1 . PHE B 331 ? 0.5170 0.3892 0.4176 -0.0072 -0.0735 0.0337 329 PHE B CD1 6729 C CD2 . PHE B 331 ? 0.5490 0.3910 0.4203 -0.0152 -0.0653 0.0407 329 PHE B CD2 6730 C CE1 . PHE B 331 ? 0.6079 0.4805 0.5140 -0.0052 -0.0753 0.0303 329 PHE B CE1 6731 C CE2 . PHE B 331 ? 0.6021 0.4437 0.4789 -0.0108 -0.0695 0.0380 329 PHE B CE2 6732 C CZ . PHE B 331 ? 0.5120 0.3699 0.4066 -0.0060 -0.0740 0.0328 329 PHE B CZ 6733 N N . LEU B 332 ? 0.5486 0.4645 0.4667 -0.0342 -0.0309 0.0360 330 LEU B N 6734 C CA . LEU B 332 ? 0.5485 0.4844 0.4761 -0.0359 -0.0189 0.0364 330 LEU B CA 6735 C C . LEU B 332 ? 0.5884 0.5599 0.5468 -0.0352 -0.0195 0.0357 330 LEU B C 6736 O O . LEU B 332 ? 0.5408 0.5311 0.5118 -0.0281 -0.0127 0.0359 330 LEU B O 6737 C CB . LEU B 332 ? 0.3777 0.3074 0.2946 -0.0491 -0.0085 0.0390 330 LEU B CB 6738 C CG . LEU B 332 ? 0.4542 0.3478 0.3389 -0.0501 -0.0085 0.0418 330 LEU B CG 6739 C CD1 . LEU B 332 ? 0.5468 0.4332 0.4197 -0.0640 0.0033 0.0454 330 LEU B CD1 6740 C CD2 . LEU B 332 ? 0.4513 0.3334 0.3200 -0.0388 -0.0084 0.0411 330 LEU B CD2 6741 N N . VAL B 333 ? 0.5019 0.4817 0.4711 -0.0421 -0.0274 0.0351 331 VAL B N 6742 C CA . VAL B 333 ? 0.5041 0.5180 0.5003 -0.0430 -0.0305 0.0355 331 VAL B CA 6743 C C . VAL B 333 ? 0.5687 0.5878 0.5734 -0.0287 -0.0386 0.0354 331 VAL B C 6744 O O . VAL B 333 ? 0.6234 0.6699 0.6494 -0.0267 -0.0419 0.0372 331 VAL B O 6745 C CB . VAL B 333 ? 0.4821 0.5025 0.4835 -0.0580 -0.0360 0.0341 331 VAL B CB 6746 C CG1 . VAL B 333 ? 0.5343 0.5596 0.5347 -0.0744 -0.0268 0.0347 331 VAL B CG1 6747 C CG2 . VAL B 333 ? 0.4329 0.4229 0.4164 -0.0578 -0.0439 0.0314 331 VAL B CG2 6748 N N . TYR B 334 ? 0.6037 0.5967 0.5912 -0.0198 -0.0421 0.0340 332 TYR B N 6749 C CA . TYR B 334 ? 0.6056 0.5989 0.5978 -0.0074 -0.0483 0.0339 332 TYR B CA 6750 C C . TYR B 334 ? 0.6410 0.6297 0.6292 0.0038 -0.0405 0.0337 332 TYR B C 6751 O O . TYR B 334 ? 0.6716 0.6426 0.6489 0.0118 -0.0443 0.0321 332 TYR B O 6752 C CB . TYR B 334 ? 0.5216 0.4925 0.5000 -0.0060 -0.0583 0.0321 332 TYR B CB 6753 C CG . TYR B 334 ? 0.4833 0.4611 0.4685 -0.0140 -0.0653 0.0316 332 TYR B CG 6754 C CD1 . TYR B 334 ? 0.4944 0.4619 0.4709 -0.0243 -0.0639 0.0303 332 TYR B CD1 6755 C CD2 . TYR B 334 ? 0.2704 0.2633 0.2688 -0.0117 -0.0725 0.0323 332 TYR B CD2 6756 C CE1 . TYR B 334 ? 0.4821 0.4530 0.4623 -0.0320 -0.0687 0.0283 332 TYR B CE1 6757 C CE2 . TYR B 334 ? 0.4080 0.4069 0.4098 -0.0200 -0.0779 0.0308 332 TYR B CE2 6758 C CZ . TYR B 334 ? 0.4831 0.4704 0.4756 -0.0301 -0.0756 0.0281 332 TYR B CZ 6759 O OH . TYR B 334 ? 0.4909 0.4802 0.4837 -0.0386 -0.0795 0.0252 332 TYR B OH 6760 N N . GLY B 335 ? 0.6807 0.6850 0.6771 0.0036 -0.0288 0.0348 333 GLY B N 6761 C CA . GLY B 335 ? 0.7671 0.7699 0.7627 0.0159 -0.0194 0.0340 333 GLY B CA 6762 C C . GLY B 335 ? 0.8022 0.7973 0.7840 0.0145 -0.0050 0.0323 333 GLY B C 6763 O O . GLY B 335 ? 0.9258 0.9144 0.9020 0.0250 0.0041 0.0301 333 GLY B O 6764 N N . ALA B 336 ? 0.6199 0.6129 0.5936 0.0014 -0.0020 0.0332 334 ALA B N 6765 C CA . ALA B 336 ? 0.6328 0.6222 0.5945 -0.0014 0.0131 0.0327 334 ALA B CA 6766 C C . ALA B 336 ? 0.6743 0.7028 0.6654 -0.0036 0.0236 0.0355 334 ALA B C 6767 O O . ALA B 336 ? 0.6974 0.7467 0.7055 -0.0147 0.0191 0.0382 334 ALA B O 6768 C CB . ALA B 336 ? 0.5939 0.5602 0.5310 -0.0143 0.0121 0.0337 334 ALA B CB 6769 N N . PRO B 337 ? 0.6826 0.7222 0.6802 0.0069 0.0377 0.0346 335 PRO B N 6770 C CA . PRO B 337 ? 0.6828 0.7654 0.7130 0.0070 0.0481 0.0380 335 PRO B CA 6771 C C . PRO B 337 ? 0.6431 0.7397 0.6750 -0.0120 0.0558 0.0403 335 PRO B C 6772 O O . PRO B 337 ? 0.6391 0.7105 0.6431 -0.0202 0.0627 0.0390 335 PRO B O 6773 C CB . PRO B 337 ? 0.5495 0.6315 0.5789 0.0239 0.0640 0.0354 335 PRO B CB 6774 C CG . PRO B 337 ? 0.6451 0.6806 0.6340 0.0261 0.0639 0.0298 335 PRO B CG 6775 C CD . PRO B 337 ? 0.6403 0.6548 0.6176 0.0205 0.0440 0.0300 335 PRO B CD 6776 N N . GLY B 338 ? 0.6115 0.7483 0.6753 -0.0197 0.0541 0.0443 336 GLY B N 6777 C CA . GLY B 338 ? 0.6406 0.7938 0.7092 -0.0405 0.0604 0.0466 336 GLY B CA 6778 C C . GLY B 338 ? 0.6287 0.7698 0.6898 -0.0574 0.0457 0.0466 336 GLY B C 6779 O O . GLY B 338 ? 0.6332 0.7899 0.7017 -0.0767 0.0477 0.0483 336 GLY B O 6780 N N . PHE B 339 ? 0.5235 0.6367 0.5699 -0.0506 0.0316 0.0443 337 PHE B N 6781 C CA . PHE B 339 ? 0.5491 0.6437 0.5835 -0.0644 0.0197 0.0433 337 PHE B CA 6782 C C . PHE B 339 ? 0.6186 0.7393 0.6766 -0.0667 0.0068 0.0439 337 PHE B C 6783 O O . PHE B 339 ? 0.7531 0.8974 0.8319 -0.0532 0.0033 0.0457 337 PHE B O 6784 C CB . PHE B 339 ? 0.5615 0.6099 0.5641 -0.0577 0.0128 0.0408 337 PHE B CB 6785 C CG . PHE B 339 ? 0.6082 0.6271 0.5816 -0.0612 0.0227 0.0413 337 PHE B CG 6786 C CD1 . PHE B 339 ? 0.5986 0.6113 0.5619 -0.0496 0.0324 0.0405 337 PHE B CD1 6787 C CD2 . PHE B 339 ? 0.6062 0.6019 0.5603 -0.0763 0.0229 0.0426 337 PHE B CD2 6788 C CE1 . PHE B 339 ? 0.6731 0.6589 0.6065 -0.0539 0.0412 0.0414 337 PHE B CE1 6789 C CE2 . PHE B 339 ? 0.6210 0.5889 0.5464 -0.0796 0.0315 0.0447 337 PHE B CE2 6790 C CZ . PHE B 339 ? 0.6004 0.5646 0.5151 -0.0688 0.0402 0.0442 337 PHE B CZ 6791 N N . SER B 340 ? 0.5906 0.7050 0.6432 -0.0839 0.0002 0.0425 338 SER B N 6792 C CA . SER B 340 ? 0.5725 0.7096 0.6424 -0.0898 -0.0121 0.0422 338 SER B CA 6793 C C . SER B 340 ? 0.5778 0.6940 0.6312 -0.1095 -0.0165 0.0385 338 SER B C 6794 O O . SER B 340 ? 0.5752 0.6784 0.6165 -0.1243 -0.0080 0.0382 338 SER B O 6795 C CB . SER B 340 ? 0.5851 0.7752 0.6891 -0.0941 -0.0093 0.0464 338 SER B CB 6796 O OG . SER B 340 ? 0.5859 0.7955 0.7000 -0.1101 -0.0196 0.0457 338 SER B OG 6797 N N . LYS B 341 ? 0.5389 0.6496 0.5903 -0.1100 -0.0288 0.0358 339 LYS B N 6798 C CA . LYS B 341 ? 0.4964 0.5847 0.5310 -0.1274 -0.0323 0.0310 339 LYS B CA 6799 C C . LYS B 341 ? 0.5644 0.6854 0.6147 -0.1495 -0.0324 0.0306 339 LYS B C 6800 O O . LYS B 341 ? 0.6094 0.7136 0.6458 -0.1683 -0.0333 0.0260 339 LYS B O 6801 C CB . LYS B 341 ? 0.4352 0.5064 0.4609 -0.1203 -0.0437 0.0274 339 LYS B CB 6802 C CG . LYS B 341 ? 0.4722 0.5784 0.5177 -0.1214 -0.0540 0.0278 339 LYS B CG 6803 C CD . LYS B 341 ? 0.5957 0.6814 0.6283 -0.1169 -0.0632 0.0236 339 LYS B CD 6804 C CE . LYS B 341 ? 0.4732 0.5851 0.5180 -0.1135 -0.0697 0.0236 339 LYS B CE 6805 N NZ . LYS B 341 ? 0.5305 0.6652 0.5834 -0.1269 -0.0671 0.0227 339 LYS B NZ 6806 N N . ASP B 342 ? 0.5435 0.7112 0.6229 -0.1472 -0.0312 0.0355 340 ASP B N 6807 C CA . ASP B 342 ? 0.5885 0.7923 0.6856 -0.1634 -0.0325 0.0356 340 ASP B CA 6808 C C . ASP B 342 ? 0.6092 0.8302 0.7153 -0.1756 -0.0195 0.0381 340 ASP B C 6809 O O . ASP B 342 ? 0.6211 0.8636 0.7369 -0.1855 -0.0196 0.0370 340 ASP B O 6810 C CB . ASP B 342 ? 0.5797 0.8219 0.7018 -0.1485 -0.0410 0.0395 340 ASP B CB 6811 C CG . ASP B 342 ? 0.6213 0.8450 0.7312 -0.1386 -0.0527 0.0364 340 ASP B CG 6812 O OD1 . ASP B 342 ? 0.5845 0.7782 0.6714 -0.1479 -0.0551 0.0296 340 ASP B OD1 6813 O OD2 . ASP B 342 ? 0.6511 0.8883 0.7734 -0.1205 -0.0579 0.0409 340 ASP B OD2 6814 N N . ASN B 343 ? 0.5492 0.7562 0.6484 -0.1712 -0.0076 0.0410 341 ASN B N 6815 C CA . ASN B 343 ? 0.5072 0.7238 0.6090 -0.1859 0.0069 0.0433 341 ASN B CA 6816 C C . ASN B 343 ? 0.5723 0.7360 0.6393 -0.1853 0.0170 0.0422 341 ASN B C 6817 O O . ASN B 343 ? 0.6415 0.7635 0.6845 -0.1735 0.0115 0.0397 341 ASN B O 6818 C CB . ASN B 343 ? 0.4983 0.7673 0.6348 -0.1760 0.0151 0.0494 341 ASN B CB 6819 C CG . ASN B 343 ? 0.6196 0.8782 0.7545 -0.1464 0.0201 0.0512 341 ASN B CG 6820 O OD1 . ASN B 343 ? 0.6022 0.8178 0.7085 -0.1396 0.0265 0.0494 341 ASN B OD1 6821 N ND2 . ASN B 343 ? 0.7715 1.0698 0.9368 -0.1291 0.0171 0.0553 341 ASN B ND2 6822 N N . ASN B 344 ? 0.5482 0.7154 0.6129 -0.1983 0.0313 0.0448 342 ASN B N 6823 C CA . ASN B 344 ? 0.6382 0.7560 0.6679 -0.2015 0.0408 0.0453 342 ASN B CA 6824 C C . ASN B 344 ? 0.6513 0.7509 0.6687 -0.1768 0.0459 0.0473 342 ASN B C 6825 O O . ASN B 344 ? 0.7120 0.7675 0.6974 -0.1752 0.0501 0.0483 342 ASN B O 6826 C CB . ASN B 344 ? 0.7913 0.9175 0.8205 -0.2236 0.0546 0.0475 342 ASN B CB 6827 C CG . ASN B 344 ? 0.9317 1.1111 0.9926 -0.2203 0.0662 0.0517 342 ASN B CG 6828 O OD1 . ASN B 344 ? 0.9579 1.1654 1.0400 -0.2002 0.0647 0.0531 342 ASN B OD1 6829 N ND2 . ASN B 344 ? 1.0000 1.1875 1.0630 -0.2334 0.0768 0.0526 342 ASN B ND2 6830 N N . SER B 345 ? 0.6768 0.8099 0.7187 -0.1582 0.0454 0.0482 343 SER B N 6831 C CA . SER B 345 ? 0.7084 0.8246 0.7390 -0.1345 0.0488 0.0485 343 SER B CA 6832 C C . SER B 345 ? 0.7663 0.8640 0.7753 -0.1369 0.0653 0.0507 343 SER B C 6833 O O . SER B 345 ? 0.8179 0.8781 0.7984 -0.1257 0.0656 0.0503 343 SER B O 6834 C CB . SER B 345 ? 0.6941 0.7700 0.7023 -0.1224 0.0353 0.0457 343 SER B CB 6835 O OG . SER B 345 ? 0.6827 0.7752 0.7087 -0.1199 0.0212 0.0436 343 SER B OG 6836 N N . ILE B 346 ? 0.7337 0.8589 0.7559 -0.1527 0.0787 0.0534 344 ILE B N 6837 C CA . ILE B 346 ? 0.6635 0.7784 0.6682 -0.1547 0.0967 0.0558 344 ILE B CA 6838 C C . ILE B 346 ? 0.7597 0.8916 0.7748 -0.1310 0.1044 0.0547 344 ILE B C 6839 O O . ILE B 346 ? 0.8335 1.0122 0.8850 -0.1240 0.1077 0.0551 344 ILE B O 6840 C CB . ILE B 346 ? 0.6096 0.7559 0.6300 -0.1781 0.1103 0.0590 344 ILE B CB 6841 C CG1 . ILE B 346 ? 0.6142 0.7371 0.6195 -0.2038 0.1042 0.0594 344 ILE B CG1 6842 C CG2 . ILE B 346 ? 0.6493 0.7885 0.6524 -0.1788 0.1309 0.0617 344 ILE B CG2 6843 C CD1 . ILE B 346 ? 0.7033 0.7664 0.6625 -0.2089 0.1075 0.0615 344 ILE B CD1 6844 N N . ILE B 347 ? 0.7713 0.8647 0.7539 -0.1186 0.1071 0.0535 345 ILE B N 6845 C CA . ILE B 347 ? 0.7424 0.8438 0.7285 -0.0969 0.1155 0.0509 345 ILE B CA 6846 C C . ILE B 347 ? 0.7478 0.8414 0.7133 -0.0994 0.1364 0.0516 345 ILE B C 6847 O O . ILE B 347 ? 0.6589 0.7351 0.6026 -0.1178 0.1431 0.0551 345 ILE B O 6848 C CB . ILE B 347 ? 0.6503 0.7164 0.6153 -0.0788 0.1022 0.0473 345 ILE B CB 6849 C CG1 . ILE B 347 ? 0.6326 0.6488 0.5564 -0.0867 0.0947 0.0486 345 ILE B CG1 6850 C CG2 . ILE B 347 ? 0.4924 0.5758 0.4840 -0.0701 0.0856 0.0460 345 ILE B CG2 6851 C CD1 . ILE B 347 ? 0.6197 0.6020 0.5176 -0.0703 0.0861 0.0454 345 ILE B CD1 6852 N N . THR B 348 ? 0.7307 0.8348 0.7013 -0.0807 0.1472 0.0482 346 THR B N 6853 C CA . THR B 348 ? 0.7459 0.8445 0.6969 -0.0800 0.1692 0.0474 346 THR B CA 6854 C C . THR B 348 ? 0.7721 0.8211 0.6781 -0.0694 0.1666 0.0435 346 THR B C 6855 O O . THR B 348 ? 0.8635 0.8890 0.7604 -0.0601 0.1484 0.0412 346 THR B O 6856 C CB . THR B 348 ? 0.7381 0.8803 0.7229 -0.0648 0.1859 0.0451 346 THR B CB 6857 O OG1 . THR B 348 ? 0.7825 0.9202 0.7758 -0.0412 0.1765 0.0407 346 THR B OG1 6858 C CG2 . THR B 348 ? 0.5973 0.7966 0.6300 -0.0756 0.1890 0.0500 346 THR B CG2 6859 N N . ARG B 349 ? 0.7638 0.7987 0.6415 -0.0720 0.1848 0.0427 347 ARG B N 6860 C CA . ARG B 349 ? 0.8195 0.8110 0.6528 -0.0628 0.1843 0.0384 347 ARG B CA 6861 C C . ARG B 349 ? 0.9400 0.9298 0.7827 -0.0401 0.1776 0.0311 347 ARG B C 6862 O O . ARG B 349 ? 1.0750 1.0302 0.8919 -0.0344 0.1625 0.0285 347 ARG B O 6863 C CB . ARG B 349 ? 0.7526 0.7394 0.5603 -0.0671 0.2092 0.0373 347 ARG B CB 6864 C CG . ARG B 349 ? 0.8521 0.7935 0.6083 -0.0605 0.2098 0.0326 347 ARG B CG 6865 C CD . ARG B 349 ? 0.8950 0.8311 0.6219 -0.0691 0.2351 0.0327 347 ARG B CD 6866 N NE . ARG B 349 ? 0.9352 0.8302 0.6105 -0.0640 0.2375 0.0274 347 ARG B NE 6867 C CZ . ARG B 349 ? 1.0222 0.8801 0.6544 -0.0745 0.2263 0.0323 347 ARG B CZ 6868 N NH1 . ARG B 349 ? 1.0471 0.8994 0.6796 -0.0893 0.2143 0.0426 347 ARG B NH1 6869 N NH2 . ARG B 349 ? 1.0211 0.8502 0.6165 -0.0688 0.2232 0.0265 347 ARG B NH2 6870 N N . LYS B 350 ? 0.9088 0.9364 0.7892 -0.0275 0.1884 0.0285 348 LYS B N 6871 C CA . LYS B 350 ? 0.8216 0.8455 0.7103 -0.0052 0.1848 0.0221 348 LYS B CA 6872 C C . LYS B 350 ? 0.7638 0.7855 0.6690 -0.0012 0.1593 0.0237 348 LYS B C 6873 O O . LYS B 350 ? 0.7925 0.7885 0.6836 0.0107 0.1493 0.0190 348 LYS B O 6874 C CB . LYS B 350 ? 0.8509 0.9154 0.7756 0.0093 0.2050 0.0202 348 LYS B CB 6875 C CG . LYS B 350 ? 1.0405 1.1379 1.0118 0.0234 0.1948 0.0223 348 LYS B CG 6876 C CD . LYS B 350 ? 1.1765 1.2503 1.1400 0.0459 0.1918 0.0157 348 LYS B CD 6877 C CE . LYS B 350 ? 1.2017 1.3050 1.2084 0.0584 0.1790 0.0200 348 LYS B CE 6878 N NZ . LYS B 350 ? 1.1996 1.3613 1.2545 0.0611 0.1908 0.0261 348 LYS B NZ 6879 N N . GLU B 351 ? 0.6254 0.6729 0.5584 -0.0126 0.1492 0.0299 349 GLU B N 6880 C CA . GLU B 351 ? 0.7088 0.7540 0.6548 -0.0106 0.1261 0.0313 349 GLU B CA 6881 C C . GLU B 351 ? 0.6816 0.6805 0.5883 -0.0165 0.1112 0.0305 349 GLU B C 6882 O O . GLU B 351 ? 0.6040 0.5862 0.5066 -0.0081 0.0956 0.0284 349 GLU B O 6883 C CB . GLU B 351 ? 0.7779 0.8596 0.7585 -0.0236 0.1196 0.0373 349 GLU B CB 6884 C CG . GLU B 351 ? 0.8490 0.9839 0.8761 -0.0159 0.1286 0.0395 349 GLU B CG 6885 C CD . GLU B 351 ? 0.9158 1.0878 0.9739 -0.0326 0.1210 0.0451 349 GLU B CD 6886 O OE1 . GLU B 351 ? 1.0075 1.1807 1.0579 -0.0532 0.1266 0.0475 349 GLU B OE1 6887 O OE2 . GLU B 351 ? 0.8703 1.0691 0.9588 -0.0262 0.1094 0.0473 349 GLU B OE2 6888 N N . PHE B 352 ? 0.6032 0.5824 0.4812 -0.0308 0.1165 0.0331 350 PHE B N 6889 C CA . PHE B 352 ? 0.6590 0.5952 0.4975 -0.0351 0.1044 0.0337 350 PHE B CA 6890 C C . PHE B 352 ? 0.7142 0.6232 0.5258 -0.0220 0.1030 0.0274 350 PHE B C 6891 O O . PHE B 352 ? 0.7060 0.5901 0.5007 -0.0198 0.0861 0.0268 350 PHE B O 6892 C CB . PHE B 352 ? 0.7596 0.6798 0.5703 -0.0514 0.1134 0.0387 350 PHE B CB 6893 C CG . PHE B 352 ? 0.7717 0.6494 0.5412 -0.0542 0.1015 0.0411 350 PHE B CG 6894 C CD1 . PHE B 352 ? 0.8354 0.6986 0.6025 -0.0609 0.0850 0.0463 350 PHE B CD1 6895 C CD2 . PHE B 352 ? 0.7751 0.6275 0.5080 -0.0495 0.1065 0.0380 350 PHE B CD2 6896 C CE1 . PHE B 352 ? 0.8970 0.7242 0.6292 -0.0615 0.0734 0.0498 350 PHE B CE1 6897 C CE2 . PHE B 352 ? 0.8354 0.6524 0.5317 -0.0521 0.0935 0.0413 350 PHE B CE2 6898 C CZ . PHE B 352 ? 0.8393 0.6451 0.5369 -0.0573 0.0767 0.0479 350 PHE B CZ 6899 N N . GLN B 353 ? 0.7744 0.6880 0.5810 -0.0141 0.1213 0.0223 351 GLN B N 6900 C CA . GLN B 353 ? 0.7773 0.6641 0.5577 -0.0023 0.1219 0.0145 351 GLN B CA 6901 C C . GLN B 353 ? 0.8097 0.7017 0.6130 0.0121 0.1106 0.0108 351 GLN B C 6902 O O . GLN B 353 ? 0.8919 0.7562 0.6730 0.0176 0.1017 0.0058 351 GLN B O 6903 C CB . GLN B 353 ? 0.7303 0.6189 0.4985 0.0028 0.1471 0.0090 351 GLN B CB 6904 C CG . GLN B 353 ? 0.7329 0.5994 0.4592 -0.0103 0.1566 0.0106 351 GLN B CG 6905 C CD . GLN B 353 ? 0.8512 0.7241 0.5684 -0.0061 0.1842 0.0051 351 GLN B CD 6906 O OE1 . GLN B 353 ? 0.8965 0.8062 0.6495 -0.0017 0.1999 0.0057 351 GLN B OE1 6907 N NE2 . GLN B 353 ? 0.9106 0.7494 0.5798 -0.0074 0.1906 -0.0005 351 GLN B NE2 6908 N N . GLU B 354 ? 0.7404 0.6681 0.5871 0.0171 0.1109 0.0137 352 GLU B N 6909 C CA . GLU B 354 ? 0.7281 0.6613 0.5969 0.0293 0.0986 0.0124 352 GLU B CA 6910 C C . GLU B 354 ? 0.6641 0.5823 0.5265 0.0220 0.0754 0.0153 352 GLU B C 6911 O O . GLU B 354 ? 0.5906 0.4946 0.4503 0.0294 0.0636 0.0126 352 GLU B O 6912 C CB . GLU B 354 ? 0.7703 0.7481 0.6866 0.0356 0.1031 0.0165 352 GLU B CB 6913 C CG . GLU B 354 ? 0.9805 0.9784 0.9102 0.0469 0.1265 0.0142 352 GLU B CG 6914 C CD . GLU B 354 ? 1.1533 1.1204 1.0588 0.0622 0.1354 0.0056 352 GLU B CD 6915 O OE1 . GLU B 354 ? 1.1375 1.0841 1.0375 0.0699 0.1223 0.0031 352 GLU B OE1 6916 O OE2 . GLU B 354 ? 1.2525 1.2147 1.1426 0.0653 0.1562 0.0010 352 GLU B OE2 6917 N N . GLY B 355 ? 0.6202 0.5410 0.4802 0.0074 0.0702 0.0208 353 GLY B N 6918 C CA . GLY B 355 ? 0.4556 0.3628 0.3100 0.0007 0.0504 0.0238 353 GLY B CA 6919 C C . GLY B 355 ? 0.6460 0.5173 0.4648 0.0024 0.0414 0.0209 353 GLY B C 6920 O O . GLY B 355 ? 0.7183 0.5813 0.5389 0.0067 0.0265 0.0197 353 GLY B O 6921 N N . LEU B 356 ? 0.6739 0.5255 0.4600 -0.0020 0.0505 0.0199 354 LEU B N 6922 C CA . LEU B 356 ? 0.7121 0.5313 0.4611 -0.0019 0.0424 0.0172 354 LEU B CA 6923 C C . LEU B 356 ? 0.7850 0.5963 0.5343 0.0089 0.0382 0.0098 354 LEU B C 6924 O O . LEU B 356 ? 0.8266 0.6204 0.5616 0.0084 0.0228 0.0087 354 LEU B O 6925 C CB . LEU B 356 ? 0.7401 0.5424 0.4536 -0.0072 0.0566 0.0162 354 LEU B CB 6926 C CG . LEU B 356 ? 0.7792 0.5779 0.4790 -0.0199 0.0601 0.0244 354 LEU B CG 6927 C CD1 . LEU B 356 ? 0.8488 0.6240 0.5044 -0.0247 0.0707 0.0231 354 LEU B CD1 6928 C CD2 . LEU B 356 ? 0.6925 0.4813 0.3909 -0.0249 0.0402 0.0316 354 LEU B CD2 6929 N N . LYS B 357 ? 0.8090 0.6337 0.5756 0.0187 0.0523 0.0052 355 LYS B N 6930 C CA . LYS B 357 ? 0.7817 0.5960 0.5485 0.0298 0.0513 -0.0018 355 LYS B CA 6931 C C . LYS B 357 ? 0.8061 0.6262 0.5942 0.0318 0.0323 0.0009 355 LYS B C 6932 O O . LYS B 357 ? 0.9396 0.7395 0.7133 0.0330 0.0220 -0.0030 355 LYS B O 6933 C CB . LYS B 357 ? 0.7620 0.5935 0.5495 0.0420 0.0709 -0.0049 355 LYS B CB 6934 C CG . LYS B 357 ? 0.9124 0.7186 0.6776 0.0519 0.0817 -0.0147 355 LYS B CG 6935 C CD . LYS B 357 ? 1.0291 0.8524 0.8097 0.0634 0.1061 -0.0172 355 LYS B CD 6936 C CE . LYS B 357 ? 1.0803 0.9079 0.8439 0.0545 0.1216 -0.0167 355 LYS B CE 6937 N NZ . LYS B 357 ? 1.0950 0.8845 0.8082 0.0508 0.1291 -0.0254 355 LYS B NZ 6938 N N . ILE B 358 ? 0.6420 0.4898 0.4627 0.0305 0.0280 0.0073 356 ILE B N 6939 C CA . ILE B 358 ? 0.5580 0.4135 0.3984 0.0311 0.0111 0.0102 356 ILE B CA 6940 C C . ILE B 358 ? 0.7573 0.5957 0.5793 0.0224 -0.0056 0.0121 356 ILE B C 6941 O O . ILE B 358 ? 0.7832 0.6143 0.6059 0.0239 -0.0183 0.0110 356 ILE B O 6942 C CB . ILE B 358 ? 0.7187 0.6084 0.5958 0.0303 0.0114 0.0159 356 ILE B CB 6943 C CG1 . ILE B 358 ? 0.7117 0.6203 0.6148 0.0431 0.0186 0.0155 356 ILE B CG1 6944 C CG2 . ILE B 358 ? 0.6623 0.5562 0.5495 0.0243 -0.0058 0.0198 356 ILE B CG2 6945 C CD1 . ILE B 358 ? 0.7042 0.6472 0.6347 0.0432 0.0298 0.0195 356 ILE B CD1 6946 N N . PHE B 359 ? 0.6273 0.4595 0.4332 0.0136 -0.0052 0.0155 357 PHE B N 6947 C CA . PHE B 359 ? 0.6451 0.4630 0.4358 0.0076 -0.0208 0.0188 357 PHE B CA 6948 C C . PHE B 359 ? 0.6911 0.4832 0.4469 0.0063 -0.0251 0.0153 357 PHE B C 6949 O O . PHE B 359 ? 0.6490 0.4325 0.3962 0.0038 -0.0403 0.0172 357 PHE B O 6950 C CB . PHE B 359 ? 0.6867 0.5072 0.4766 -0.0005 -0.0208 0.0256 357 PHE B CB 6951 C CG . PHE B 359 ? 0.6499 0.4921 0.4714 -0.0020 -0.0231 0.0286 357 PHE B CG 6952 C CD1 . PHE B 359 ? 0.5443 0.3876 0.3761 -0.0020 -0.0374 0.0306 357 PHE B CD1 6953 C CD2 . PHE B 359 ? 0.6869 0.5502 0.5278 -0.0040 -0.0108 0.0290 357 PHE B CD2 6954 C CE1 . PHE B 359 ? 0.6586 0.5198 0.5156 -0.0045 -0.0390 0.0321 357 PHE B CE1 6955 C CE2 . PHE B 359 ? 0.7068 0.5908 0.5748 -0.0074 -0.0141 0.0311 357 PHE B CE2 6956 C CZ . PHE B 359 ? 0.7098 0.5908 0.5839 -0.0079 -0.0281 0.0322 357 PHE B CZ 6957 N N . PHE B 360 ? 0.6776 0.4587 0.4136 0.0078 -0.0115 0.0100 358 PHE B N 6958 C CA . PHE B 360 ? 0.7097 0.4650 0.4088 0.0048 -0.0153 0.0053 358 PHE B CA 6959 C C . PHE B 360 ? 0.8778 0.6210 0.5683 0.0111 -0.0058 -0.0047 358 PHE B C 6960 O O . PHE B 360 ? 0.8955 0.6240 0.5603 0.0110 0.0081 -0.0103 358 PHE B O 6961 C CB . PHE B 360 ? 0.7139 0.4569 0.3820 -0.0024 -0.0090 0.0085 358 PHE B CB 6962 C CG . PHE B 360 ? 0.7067 0.4525 0.3758 -0.0082 -0.0200 0.0187 358 PHE B CG 6963 C CD1 . PHE B 360 ? 0.7612 0.4979 0.4174 -0.0117 -0.0373 0.0221 358 PHE B CD1 6964 C CD2 . PHE B 360 ? 0.6289 0.3892 0.3172 -0.0100 -0.0126 0.0244 358 PHE B CD2 6965 C CE1 . PHE B 360 ? 0.6903 0.4357 0.3619 -0.0142 -0.0447 0.0297 358 PHE B CE1 6966 C CE2 . PHE B 360 ? 0.6575 0.4153 0.3448 -0.0148 -0.0215 0.0334 358 PHE B CE2 6967 C CZ . PHE B 360 ? 0.7007 0.4506 0.3800 -0.0156 -0.0373 0.0360 358 PHE B CZ 6968 N N . PRO B 361 ? 0.9237 0.6706 0.6338 0.0165 -0.0126 -0.0071 359 PRO B N 6969 C CA . PRO B 361 ? 0.9136 0.6473 0.6197 0.0243 -0.0029 -0.0158 359 PRO B CA 6970 C C . PRO B 361 ? 0.9897 0.6901 0.6531 0.0194 -0.0018 -0.0250 359 PRO B C 6971 O O . PRO B 361 ? 0.9829 0.6680 0.6327 0.0255 0.0148 -0.0331 359 PRO B O 6972 C CB . PRO B 361 ? 0.8463 0.5894 0.5797 0.0280 -0.0148 -0.0137 359 PRO B CB 6973 C CG . PRO B 361 ? 0.8684 0.6217 0.6079 0.0196 -0.0331 -0.0068 359 PRO B CG 6974 C CD . PRO B 361 ? 0.8599 0.6231 0.5975 0.0161 -0.0282 -0.0014 359 PRO B CD 6975 N N . GLY B 362 ? 0.9457 0.6352 0.5879 0.0086 -0.0188 -0.0240 360 GLY B N 6976 C CA . GLY B 362 ? 0.9481 0.6071 0.5490 0.0014 -0.0203 -0.0331 360 GLY B CA 6977 C C . GLY B 362 ? 1.0787 0.7297 0.6520 -0.0047 -0.0118 -0.0333 360 GLY B C 6978 O O . GLY B 362 ? 1.1078 0.7439 0.6609 -0.0115 -0.0114 -0.0382 360 GLY B O 6979 N N . VAL B 363 ? 1.0128 0.6744 0.5857 -0.0033 -0.0046 -0.0276 361 VAL B N 6980 C CA . VAL B 363 ? 0.9251 0.5833 0.4766 -0.0107 0.0006 -0.0247 361 VAL B CA 6981 C C . VAL B 363 ? 0.8911 0.5358 0.4210 -0.0069 0.0255 -0.0334 361 VAL B C 6982 O O . VAL B 363 ? 0.9376 0.5879 0.4805 0.0039 0.0428 -0.0370 361 VAL B O 6983 C CB . VAL B 363 ? 0.8319 0.5079 0.3958 -0.0128 -0.0040 -0.0124 361 VAL B CB 6984 C CG1 . VAL B 363 ? 0.7474 0.4187 0.2895 -0.0199 0.0028 -0.0089 361 VAL B CG1 6985 C CG2 . VAL B 363 ? 0.7367 0.4269 0.3250 -0.0156 -0.0270 -0.0045 361 VAL B CG2 6986 N N . SER B 364 ? 0.8162 0.4480 0.3199 -0.0150 0.0276 -0.0360 362 SER B N 6987 C CA . SER B 364 ? 0.8758 0.4958 0.3588 -0.0127 0.0509 -0.0440 362 SER B CA 6988 C C . SER B 364 ? 0.9785 0.6124 0.4659 -0.0091 0.0694 -0.0397 362 SER B C 6989 O O . SER B 364 ? 1.0920 0.7411 0.5911 -0.0123 0.0622 -0.0290 362 SER B O 6990 C CB . SER B 364 ? 1.0650 0.6698 0.5170 -0.0242 0.0465 -0.0463 362 SER B CB 6991 O OG . SER B 364 ? 1.0887 0.7016 0.5320 -0.0322 0.0413 -0.0366 362 SER B OG 6992 N N . GLU B 365 ? 1.0083 0.6382 0.4884 -0.0030 0.0940 -0.0474 363 GLU B N 6993 C CA . GLU B 365 ? 1.0922 0.7400 0.5807 -0.0004 0.1141 -0.0433 363 GLU B CA 6994 C C . GLU B 365 ? 1.0927 0.7417 0.5626 -0.0141 0.1093 -0.0344 363 GLU B C 6995 O O . GLU B 365 ? 1.0261 0.6921 0.5079 -0.0169 0.1141 -0.0253 363 GLU B O 6996 C CB . GLU B 365 ? 1.2229 0.8704 0.7131 0.0103 0.1420 -0.0534 363 GLU B CB 6997 C CG . GLU B 365 ? 1.4043 1.0778 0.9112 0.0131 0.1643 -0.0487 363 GLU B CG 6998 C CD . GLU B 365 ? 1.5242 1.2276 1.0722 0.0181 0.1617 -0.0398 363 GLU B CD 6999 O OE1 . GLU B 365 ? 1.5384 1.2509 1.1189 0.0296 0.1549 -0.0415 363 GLU B OE1 7000 O OE2 . GLU B 365 ? 1.5179 1.2408 1.0766 0.0091 0.1618 -0.0295 363 GLU B OE2 7001 N N . PHE B 366 ? 1.1118 0.7426 0.5533 -0.0229 0.0997 -0.0366 364 PHE B N 7002 C CA . PHE B 366 ? 1.2148 0.8445 0.6380 -0.0349 0.0913 -0.0275 364 PHE B CA 7003 C C . PHE B 366 ? 1.1031 0.7443 0.5445 -0.0382 0.0699 -0.0146 364 PHE B C 7004 O O . PHE B 366 ? 1.1388 0.7874 0.5807 -0.0435 0.0701 -0.0045 364 PHE B O 7005 C CB . PHE B 366 ? 1.3299 0.9393 0.7211 -0.0428 0.0828 -0.0327 364 PHE B CB 7006 C CG . PHE B 366 ? 1.4180 1.0264 0.7919 -0.0538 0.0693 -0.0224 364 PHE B CG 7007 C CD1 . PHE B 366 ? 1.4248 1.0327 0.7806 -0.0590 0.0830 -0.0188 364 PHE B CD1 7008 C CD2 . PHE B 366 ? 1.4064 1.0156 0.7836 -0.0583 0.0435 -0.0159 364 PHE B CD2 7009 C CE1 . PHE B 366 ? 1.3595 0.9648 0.6985 -0.0680 0.0705 -0.0087 364 PHE B CE1 7010 C CE2 . PHE B 366 ? 1.3230 0.9326 0.6863 -0.0662 0.0316 -0.0059 364 PHE B CE2 7011 C CZ . PHE B 366 ? 1.3078 0.9138 0.6509 -0.0708 0.0448 -0.0022 364 PHE B CZ 7012 N N . GLY B 367 ? 1.0058 0.6483 0.4633 -0.0349 0.0524 -0.0150 365 GLY B N 7013 C CA . GLY B 367 ? 0.9706 0.6250 0.4490 -0.0363 0.0323 -0.0039 365 GLY B CA 7014 C C . GLY B 367 ? 1.0114 0.6816 0.5122 -0.0328 0.0405 0.0028 365 GLY B C 7015 O O . GLY B 367 ? 1.0794 0.7562 0.5872 -0.0372 0.0338 0.0135 365 GLY B O 7016 N N . LYS B 368 ? 1.0008 0.6770 0.5136 -0.0247 0.0558 -0.0034 366 LYS B N 7017 C CA . LYS B 368 ? 0.9029 0.5985 0.4403 -0.0222 0.0658 0.0027 366 LYS B CA 7018 C C . LYS B 368 ? 0.8970 0.5965 0.4236 -0.0295 0.0836 0.0075 366 LYS B C 7019 O O . LYS B 368 ? 0.9102 0.6209 0.4503 -0.0350 0.0833 0.0175 366 LYS B O 7020 C CB . LYS B 368 ? 0.9200 0.6347 0.4950 -0.0099 0.0764 -0.0050 366 LYS B CB 7021 C CG . LYS B 368 ? 0.9431 0.6611 0.5416 -0.0037 0.0576 -0.0065 366 LYS B CG 7022 C CD . LYS B 368 ? 0.8371 0.5713 0.4697 0.0093 0.0677 -0.0126 366 LYS B CD 7023 C CE . LYS B 368 ? 0.9277 0.6404 0.5358 0.0157 0.0815 -0.0247 366 LYS B CE 7024 N NZ . LYS B 368 ? 1.0021 0.7276 0.6437 0.0305 0.0896 -0.0292 366 LYS B NZ 7025 N N . GLU B 369 ? 0.8556 0.5466 0.3608 -0.0303 0.0984 0.0003 367 GLU B N 7026 C CA . GLU B 369 ? 0.8980 0.5946 0.3948 -0.0375 0.1155 0.0043 367 GLU B CA 7027 C C . GLU B 369 ? 0.9448 0.6337 0.4298 -0.0481 0.0993 0.0157 367 GLU B C 7028 O O . GLU B 369 ? 1.0340 0.7302 0.5217 -0.0554 0.1075 0.0237 367 GLU B O 7029 C CB . GLU B 369 ? 0.9943 0.6818 0.4689 -0.0358 0.1333 -0.0062 367 GLU B CB 7030 C CG . GLU B 369 ? 1.1417 0.8350 0.6051 -0.0440 0.1507 -0.0024 367 GLU B CG 7031 C CD . GLU B 369 ? 1.2476 0.9692 0.7412 -0.0446 0.1685 0.0029 367 GLU B CD 7032 O OE1 . GLU B 369 ? 1.2582 0.9979 0.7767 -0.0341 0.1841 -0.0034 367 GLU B OE1 7033 O OE2 . GLU B 369 ? 1.2050 0.9316 0.6992 -0.0556 0.1669 0.0137 367 GLU B OE2 7034 N N . SER B 370 ? 0.9473 0.6230 0.4221 -0.0488 0.0766 0.0168 368 SER B N 7035 C CA . SER B 370 ? 0.9098 0.5792 0.3749 -0.0561 0.0620 0.0275 368 SER B CA 7036 C C . SER B 370 ? 0.9259 0.6050 0.4176 -0.0557 0.0506 0.0376 368 SER B C 7037 O O . SER B 370 ? 1.0425 0.7187 0.5314 -0.0611 0.0463 0.0474 368 SER B O 7038 C CB . SER B 370 ? 0.8955 0.5521 0.3423 -0.0571 0.0436 0.0257 368 SER B CB 7039 O OG . SER B 370 ? 0.9837 0.6455 0.4515 -0.0522 0.0237 0.0265 368 SER B OG 7040 N N . ILE B 371 ? 0.8749 0.5641 0.3915 -0.0492 0.0465 0.0351 369 ILE B N 7041 C CA . ILE B 371 ? 0.7875 0.4866 0.3310 -0.0490 0.0384 0.0432 369 ILE B CA 7042 C C . ILE B 371 ? 0.8624 0.5709 0.4134 -0.0555 0.0575 0.0476 369 ILE B C 7043 O O . ILE B 371 ? 0.8526 0.5610 0.4114 -0.0612 0.0541 0.0565 369 ILE B O 7044 C CB . ILE B 371 ? 0.7553 0.4638 0.3224 -0.0410 0.0302 0.0391 369 ILE B CB 7045 C CG1 . ILE B 371 ? 0.7113 0.4142 0.2768 -0.0363 0.0109 0.0349 369 ILE B CG1 7046 C CG2 . ILE B 371 ? 0.7592 0.4779 0.3535 -0.0417 0.0235 0.0469 369 ILE B CG2 7047 C CD1 . ILE B 371 ? 0.6847 0.3965 0.2732 -0.0290 0.0026 0.0311 369 ILE B CD1 7048 N N . LEU B 372 ? 0.8589 0.5770 0.4101 -0.0542 0.0784 0.0408 370 LEU B N 7049 C CA . LEU B 372 ? 0.7961 0.5300 0.3583 -0.0613 0.0999 0.0438 370 LEU B CA 7050 C C . LEU B 372 ? 0.8133 0.5378 0.3573 -0.0718 0.1031 0.0507 370 LEU B C 7051 O O . LEU B 372 ? 0.8638 0.5941 0.4192 -0.0807 0.1064 0.0584 370 LEU B O 7052 C CB . LEU B 372 ? 0.8011 0.5517 0.3717 -0.0548 0.1222 0.0334 370 LEU B CB 7053 C CG . LEU B 372 ? 0.8208 0.5993 0.4135 -0.0600 0.1464 0.0342 370 LEU B CG 7054 C CD1 . LEU B 372 ? 0.7534 0.5685 0.4012 -0.0538 0.1458 0.0325 370 LEU B CD1 7055 C CD2 . LEU B 372 ? 0.9708 0.7492 0.5448 -0.0561 0.1697 0.0257 370 LEU B CD2 7056 N N . PHE B 373 ? 0.8131 0.5217 0.3278 -0.0716 0.1012 0.0481 371 PHE B N 7057 C CA . PHE B 373 ? 0.9956 0.6939 0.4897 -0.0810 0.1043 0.0552 371 PHE B CA 7058 C C . PHE B 373 ? 0.9962 0.6841 0.4937 -0.0845 0.0865 0.0665 371 PHE B C 7059 O O . PHE B 373 ? 1.0540 0.7394 0.5490 -0.0932 0.0927 0.0743 371 PHE B O 7060 C CB . PHE B 373 ? 0.9300 0.6129 0.3905 -0.0804 0.1040 0.0504 371 PHE B CB 7061 C CG . PHE B 373 ? 0.8724 0.5423 0.3086 -0.0892 0.1035 0.0590 371 PHE B CG 7062 C CD1 . PHE B 373 ? 0.9615 0.6364 0.3896 -0.0975 0.1246 0.0607 371 PHE B CD1 7063 C CD2 . PHE B 373 ? 0.9113 0.5658 0.3341 -0.0887 0.0823 0.0658 371 PHE B CD2 7064 C CE1 . PHE B 373 ? 1.0070 0.6682 0.4105 -0.1058 0.1243 0.0692 371 PHE B CE1 7065 C CE2 . PHE B 373 ? 0.9737 0.6156 0.3729 -0.0958 0.0819 0.0747 371 PHE B CE2 7066 C CZ . PHE B 373 ? 1.0293 0.6726 0.4170 -0.1047 0.1028 0.0764 371 PHE B CZ 7067 N N . HIS B 374 ? 0.8786 0.5612 0.3832 -0.0769 0.0651 0.0670 372 HIS B N 7068 C CA . HIS B 374 ? 0.7568 0.4300 0.2650 -0.0767 0.0480 0.0765 372 HIS B CA 7069 C C . HIS B 374 ? 0.8384 0.5182 0.3730 -0.0796 0.0492 0.0813 372 HIS B C 7070 O O . HIS B 374 ? 0.9474 0.6173 0.4832 -0.0814 0.0421 0.0895 372 HIS B O 7071 C CB . HIS B 374 ? 0.7700 0.4417 0.2829 -0.0671 0.0265 0.0742 372 HIS B CB 7072 C CG . HIS B 374 ? 0.9162 0.5789 0.4254 -0.0651 0.0105 0.0834 372 HIS B CG 7073 N ND1 . HIS B 374 ? 1.0665 0.7172 0.5478 -0.0686 0.0089 0.0887 372 HIS B ND1 7074 C CD2 . HIS B 374 ? 0.9225 0.5874 0.4528 -0.0592 -0.0034 0.0885 372 HIS B CD2 7075 C CE1 . HIS B 374 ? 1.0827 0.7291 0.5684 -0.0643 -0.0056 0.0976 372 HIS B CE1 7076 N NE2 . HIS B 374 ? 1.0027 0.6577 0.5186 -0.0582 -0.0126 0.0972 372 HIS B NE2 7077 N N . TYR B 375 ? 0.7126 0.4086 0.2677 -0.0800 0.0589 0.0762 373 TYR B N 7078 C CA . TYR B 375 ? 0.7401 0.4446 0.3212 -0.0843 0.0600 0.0795 373 TYR B CA 7079 C C . TYR B 375 ? 0.8524 0.5709 0.4403 -0.0965 0.0822 0.0800 373 TYR B C 7080 O O . TYR B 375 ? 0.9222 0.6539 0.5345 -0.1023 0.0860 0.0807 373 TYR B O 7081 C CB . TYR B 375 ? 0.7639 0.4798 0.3687 -0.0760 0.0504 0.0747 373 TYR B CB 7082 C CG . TYR B 375 ? 0.7900 0.4976 0.4008 -0.0664 0.0278 0.0760 373 TYR B CG 7083 C CD1 . TYR B 375 ? 0.7933 0.4964 0.3922 -0.0582 0.0163 0.0727 373 TYR B CD1 7084 C CD2 . TYR B 375 ? 0.7214 0.4275 0.3511 -0.0661 0.0190 0.0799 373 TYR B CD2 7085 C CE1 . TYR B 375 ? 0.7253 0.4272 0.3345 -0.0502 -0.0027 0.0740 373 TYR B CE1 7086 C CE2 . TYR B 375 ? 0.6710 0.3740 0.3094 -0.0563 0.0011 0.0806 373 TYR B CE2 7087 C CZ . TYR B 375 ? 0.7865 0.4897 0.4163 -0.0484 -0.0095 0.0780 373 TYR B CZ 7088 O OH . TYR B 375 ? 0.7924 0.4985 0.4351 -0.0395 -0.0257 0.0788 373 TYR B OH 7089 N N . THR B 376 ? 0.8324 0.5506 0.4010 -0.1015 0.0971 0.0794 374 THR B N 7090 C CA . THR B 376 ? 0.9048 0.6414 0.4840 -0.1134 0.1188 0.0800 374 THR B CA 7091 C C . THR B 376 ? 0.9627 0.6865 0.5240 -0.1247 0.1251 0.0874 374 THR B C 7092 O O . THR B 376 ? 1.0014 0.7406 0.5660 -0.1343 0.1443 0.0874 374 THR B O 7093 C CB . THR B 376 ? 0.9139 0.6713 0.4948 -0.1100 0.1381 0.0715 374 THR B CB 7094 O OG1 . THR B 376 ? 0.8739 0.6144 0.4237 -0.1031 0.1362 0.0677 374 THR B OG1 7095 C CG2 . THR B 376 ? 0.7351 0.5126 0.3426 -0.1019 0.1386 0.0652 374 THR B CG2 7096 N N . ASP B 377 ? 0.9033 0.6011 0.4472 -0.1230 0.1096 0.0941 375 ASP B N 7097 C CA . ASP B 377 ? 0.9808 0.6637 0.5065 -0.1334 0.1151 0.1022 375 ASP B CA 7098 C C . ASP B 377 ? 0.9715 0.6537 0.5163 -0.1434 0.1156 0.1070 375 ASP B C 7099 O O . ASP B 377 ? 0.9055 0.5672 0.4473 -0.1407 0.1018 0.1124 375 ASP B O 7100 C CB . ASP B 377 ? 1.0007 0.6570 0.4978 -0.1268 0.0998 0.1080 375 ASP B CB 7101 C CG . ASP B 377 ? 1.0966 0.7369 0.5693 -0.1368 0.1074 0.1168 375 ASP B CG 7102 O OD1 . ASP B 377 ? 1.1738 0.8240 0.6504 -0.1493 0.1255 0.1173 375 ASP B OD1 7103 O OD2 . ASP B 377 ? 1.1406 0.7601 0.5912 -0.1324 0.0953 0.1235 375 ASP B OD2 7104 N N . TRP B 378 ? 1.0481 0.7544 0.6136 -0.1547 0.1321 0.1044 376 TRP B N 7105 C CA . TRP B 378 ? 1.0913 0.8015 0.6786 -0.1661 0.1327 0.1066 376 TRP B CA 7106 C C . TRP B 378 ? 1.1470 0.8317 0.7170 -0.1763 0.1330 0.1150 376 TRP B C 7107 O O . TRP B 378 ? 1.2435 0.9195 0.7901 -0.1813 0.1420 0.1196 376 TRP B O 7108 C CB . TRP B 378 ? 0.9559 0.7042 0.5723 -0.1771 0.1503 0.1020 376 TRP B CB 7109 C CG . TRP B 378 ? 0.9244 0.7006 0.5581 -0.1675 0.1547 0.0944 376 TRP B CG 7110 C CD1 . TRP B 378 ? 0.9230 0.7281 0.5646 -0.1677 0.1733 0.0901 376 TRP B CD1 7111 C CD2 . TRP B 378 ? 0.8585 0.6365 0.5042 -0.1554 0.1412 0.0899 376 TRP B CD2 7112 N NE1 . TRP B 378 ? 0.9207 0.7441 0.5780 -0.1558 0.1727 0.0831 376 TRP B NE1 7113 C CE2 . TRP B 378 ? 0.7929 0.5993 0.4517 -0.1489 0.1529 0.0833 376 TRP B CE2 7114 C CE3 . TRP B 378 ? 0.7620 0.5208 0.4091 -0.1485 0.1213 0.0909 376 TRP B CE3 7115 C CZ2 . TRP B 378 ? 0.8331 0.6467 0.5038 -0.1370 0.1448 0.0782 376 TRP B CZ2 7116 C CZ3 . TRP B 378 ? 0.7693 0.5372 0.4294 -0.1373 0.1128 0.0859 376 TRP B CZ3 7117 C CH2 . TRP B 378 ? 0.7844 0.5782 0.4547 -0.1322 0.1243 0.0800 376 TRP B CH2 7118 N N . VAL B 379 ? 1.0997 0.7716 0.6802 -0.1793 0.1240 0.1167 377 VAL B N 7119 C CA . VAL B 379 ? 1.2112 0.8618 0.7809 -0.1917 0.1275 0.1234 377 VAL B CA 7120 C C . VAL B 379 ? 1.3202 0.9955 0.9063 -0.2114 0.1456 0.1218 377 VAL B C 7121 O O . VAL B 379 ? 1.4637 1.1356 1.0342 -0.2218 0.1579 0.1267 377 VAL B O 7122 C CB . VAL B 379 ? 1.2262 0.8531 0.8005 -0.1876 0.1131 0.1247 377 VAL B CB 7123 C CG1 . VAL B 379 ? 1.1546 0.7559 0.7091 -0.1698 0.0975 0.1298 377 VAL B CG1 7124 C CG2 . VAL B 379 ? 1.2668 0.9141 0.8728 -0.1863 0.1079 0.1162 377 VAL B CG2 7125 N N . ASP B 380 ? 1.2457 0.9484 0.8644 -0.2167 0.1469 0.1151 378 ASP B N 7126 C CA . ASP B 380 ? 1.2657 1.0032 0.9077 -0.2337 0.1631 0.1126 378 ASP B CA 7127 C C . ASP B 380 ? 1.1774 0.9560 0.8420 -0.2270 0.1706 0.1066 378 ASP B C 7128 O O . ASP B 380 ? 1.1298 0.9222 0.8140 -0.2186 0.1622 0.1012 378 ASP B O 7129 C CB . ASP B 380 ? 1.2836 1.0253 0.9475 -0.2470 0.1595 0.1097 378 ASP B CB 7130 C CG . ASP B 380 ? 1.3559 1.1379 1.0469 -0.2656 0.1745 0.1075 378 ASP B CG 7131 O OD1 . ASP B 380 ? 1.4064 1.2053 1.0944 -0.2702 0.1897 0.1103 378 ASP B OD1 7132 O OD2 . ASP B 380 ? 1.4002 1.1986 1.1163 -0.2755 0.1709 0.1029 378 ASP B OD2 7133 N N . ASP B 381 ? 1.1451 0.9424 0.8058 -0.2302 0.1874 0.1075 379 ASP B N 7134 C CA . ASP B 381 ? 1.1171 0.9516 0.7956 -0.2217 0.1980 0.1020 379 ASP B CA 7135 C C . ASP B 381 ? 1.1109 0.9958 0.8346 -0.2313 0.2078 0.0981 379 ASP B C 7136 O O . ASP B 381 ? 0.9828 0.9040 0.7287 -0.2230 0.2169 0.0934 379 ASP B O 7137 C CB . ASP B 381 ? 1.1970 1.0288 0.8505 -0.2194 0.2125 0.1040 379 ASP B CB 7138 C CG . ASP B 381 ? 1.3103 1.1191 0.9403 -0.2339 0.2178 0.1120 379 ASP B CG 7139 O OD1 . ASP B 381 ? 1.3094 1.0761 0.9087 -0.2315 0.2054 0.1173 379 ASP B OD1 7140 O OD2 . ASP B 381 ? 1.3131 1.1471 0.9565 -0.2474 0.2344 0.1135 379 ASP B OD2 7141 N N . GLN B 382 ? 1.1894 1.0764 0.9268 -0.2481 0.2054 0.0999 380 GLN B N 7142 C CA . GLN B 382 ? 1.1917 1.1264 0.9732 -0.2587 0.2103 0.0965 380 GLN B CA 7143 C C . GLN B 382 ? 1.1969 1.1407 1.0006 -0.2526 0.1948 0.0912 380 GLN B C 7144 O O . GLN B 382 ? 1.2074 1.1976 1.0496 -0.2523 0.1973 0.0873 380 GLN B O 7145 C CB . GLN B 382 ? 1.2151 1.1454 0.9988 -0.2808 0.2128 0.0998 380 GLN B CB 7146 C CG . GLN B 382 ? 1.2488 1.1656 1.0080 -0.2899 0.2273 0.1062 380 GLN B CG 7147 C CD . GLN B 382 ? 1.1886 1.1535 0.9704 -0.2908 0.2474 0.1061 380 GLN B CD 7148 O OE1 . GLN B 382 ? 1.0739 1.0565 0.8600 -0.2745 0.2536 0.1033 380 GLN B OE1 7149 N NE2 . GLN B 382 ? 1.2368 1.2229 1.0333 -0.3095 0.2585 0.1090 380 GLN B NE2 7150 N N . ARG B 383 ? 1.1346 1.0348 0.9145 -0.2468 0.1786 0.0915 381 ARG B N 7151 C CA . ARG B 383 ? 1.0393 0.9390 0.8339 -0.2417 0.1625 0.0869 381 ARG B CA 7152 C C . ARG B 383 ? 1.0340 0.9700 0.8541 -0.2288 0.1627 0.0824 381 ARG B C 7153 O O . ARG B 383 ? 1.0447 0.9710 0.8487 -0.2133 0.1642 0.0824 381 ARG B O 7154 C CB . ARG B 383 ? 1.0224 0.8684 0.7834 -0.2319 0.1476 0.0890 381 ARG B CB 7155 C CG . ARG B 383 ? 1.0567 0.8951 0.8280 -0.2262 0.1309 0.0846 381 ARG B CG 7156 C CD . ARG B 383 ? 1.1555 0.9427 0.8974 -0.2198 0.1186 0.0874 381 ARG B CD 7157 N NE . ARG B 383 ? 1.2279 1.0073 0.9796 -0.2135 0.1038 0.0827 381 ARG B NE 7158 C CZ . ARG B 383 ? 1.2914 1.0773 1.0593 -0.2252 0.1002 0.0778 381 ARG B CZ 7159 N NH1 . ARG B 383 ? 1.3577 1.1595 1.1354 -0.2443 0.1094 0.0772 381 ARG B NH1 7160 N NH2 . ARG B 383 ? 1.2063 0.9841 0.9806 -0.2179 0.0872 0.0732 381 ARG B NH2 7161 N N . PRO B 384 ? 0.9547 0.9334 0.8143 -0.2352 0.1610 0.0786 382 PRO B N 7162 C CA . PRO B 384 ? 0.8747 0.8935 0.7636 -0.2233 0.1614 0.0749 382 PRO B CA 7163 C C . PRO B 384 ? 0.9127 0.9111 0.7940 -0.2108 0.1454 0.0724 382 PRO B C 7164 O O . PRO B 384 ? 0.9040 0.9288 0.8062 -0.1941 0.1428 0.0686 382 PRO B O 7165 C CB . PRO B 384 ? 0.8060 0.8764 0.7396 -0.2353 0.1615 0.0728 382 PRO B CB 7166 C CG . PRO B 384 ? 0.7549 0.8004 0.6771 -0.2536 0.1551 0.0733 382 PRO B CG 7167 C CD . PRO B 384 ? 0.8643 0.8616 0.7444 -0.2547 0.1611 0.0779 382 PRO B CD 7168 N N . GLU B 385 ? 0.8787 0.8315 0.7350 -0.2121 0.1317 0.0732 383 GLU B N 7169 C CA . GLU B 385 ? 0.7769 0.7097 0.6266 -0.1988 0.1158 0.0712 383 GLU B CA 7170 C C . GLU B 385 ? 0.8845 0.7763 0.6978 -0.1821 0.1124 0.0738 383 GLU B C 7171 O O . GLU B 385 ? 0.8799 0.7506 0.6859 -0.1674 0.0966 0.0720 383 GLU B O 7172 C CB . GLU B 385 ? 0.7733 0.6866 0.6238 -0.2067 0.1015 0.0690 383 GLU B CB 7173 C CG . GLU B 385 ? 0.9561 0.8400 0.7877 -0.2180 0.1034 0.0709 383 GLU B CG 7174 C CD . GLU B 385 ? 1.0664 0.9830 0.9216 -0.2373 0.1111 0.0691 383 GLU B CD 7175 O OE1 . GLU B 385 ? 1.0343 0.9782 0.9162 -0.2437 0.1041 0.0641 383 GLU B OE1 7176 O OE2 . GLU B 385 ? 1.1464 1.0623 0.9932 -0.2459 0.1233 0.0727 383 GLU B OE2 7177 N N . ASN B 386 ? 0.9260 0.8106 0.7186 -0.1836 0.1266 0.0774 384 ASN B N 7178 C CA . ASN B 386 ? 0.9656 0.8149 0.7218 -0.1696 0.1238 0.0800 384 ASN B CA 7179 C C . ASN B 386 ? 0.9341 0.7880 0.6952 -0.1474 0.1135 0.0746 384 ASN B C 7180 O O . ASN B 386 ? 0.9790 0.8016 0.7194 -0.1368 0.0991 0.0758 384 ASN B O 7181 C CB . ASN B 386 ? 0.9707 0.8230 0.7115 -0.1725 0.1407 0.0821 384 ASN B CB 7182 C CG . ASN B 386 ? 0.9576 0.7900 0.6842 -0.1857 0.1429 0.0873 384 ASN B CG 7183 O OD1 . ASN B 386 ? 0.8243 0.6329 0.5464 -0.1898 0.1312 0.0891 384 ASN B OD1 7184 N ND2 . ASN B 386 ? 1.0102 0.8512 0.7285 -0.1917 0.1590 0.0894 384 ASN B ND2 7185 N N . TYR B 387 ? 0.7635 0.6579 0.5551 -0.1388 0.1198 0.0683 385 TYR B N 7186 C CA . TYR B 387 ? 0.6983 0.5963 0.4952 -0.1169 0.1111 0.0623 385 TYR B CA 7187 C C . TYR B 387 ? 0.7011 0.5986 0.5156 -0.1092 0.0907 0.0597 385 TYR B C 7188 O O . TYR B 387 ? 0.7028 0.5808 0.5048 -0.0955 0.0783 0.0578 385 TYR B O 7189 C CB . TYR B 387 ? 0.7510 0.6889 0.5742 -0.1082 0.1251 0.0571 385 TYR B CB 7190 C CG . TYR B 387 ? 0.8391 0.7697 0.6369 -0.1081 0.1442 0.0572 385 TYR B CG 7191 C CD1 . TYR B 387 ? 0.8412 0.7368 0.6005 -0.0985 0.1413 0.0558 385 TYR B CD1 7192 C CD2 . TYR B 387 ? 0.8137 0.7739 0.6253 -0.1186 0.1653 0.0586 385 TYR B CD2 7193 C CE1 . TYR B 387 ? 0.8864 0.7735 0.6181 -0.0994 0.1592 0.0552 385 TYR B CE1 7194 C CE2 . TYR B 387 ? 0.8827 0.8359 0.6692 -0.1187 0.1845 0.0582 385 TYR B CE2 7195 C CZ . TYR B 387 ? 0.9174 0.8326 0.6624 -0.1091 0.1816 0.0562 385 TYR B CZ 7196 O OH . TYR B 387 ? 0.9913 0.8982 0.7076 -0.1102 0.2013 0.0551 385 TYR B OH 7197 N N . ARG B 388 ? 0.6932 0.6128 0.5358 -0.1193 0.0876 0.0594 386 ARG B N 7198 C CA . ARG B 388 ? 0.5801 0.4982 0.4368 -0.1147 0.0697 0.0568 386 ARG B CA 7199 C C . ARG B 388 ? 0.6478 0.5203 0.4739 -0.1129 0.0576 0.0599 386 ARG B C 7200 O O . ARG B 388 ? 0.7249 0.5888 0.5521 -0.1000 0.0436 0.0575 386 ARG B O 7201 C CB . ARG B 388 ? 0.5338 0.4773 0.4169 -0.1312 0.0699 0.0565 386 ARG B CB 7202 C CG . ARG B 388 ? 0.5128 0.4573 0.4100 -0.1286 0.0535 0.0531 386 ARG B CG 7203 C CD . ARG B 388 ? 0.5290 0.4878 0.4407 -0.1499 0.0542 0.0528 386 ARG B CD 7204 N NE . ARG B 388 ? 0.5777 0.4950 0.4603 -0.1640 0.0555 0.0558 386 ARG B NE 7205 C CZ . ARG B 388 ? 0.7158 0.6340 0.5996 -0.1871 0.0610 0.0565 386 ARG B CZ 7206 N NH1 . ARG B 388 ? 0.6784 0.6420 0.5931 -0.1996 0.0649 0.0544 386 ARG B NH1 7207 N NH2 . ARG B 388 ? 0.7288 0.6034 0.5840 -0.1966 0.0620 0.0592 386 ARG B NH2 7208 N N . GLU B 389 ? 0.7098 0.5537 0.5091 -0.1255 0.0635 0.0660 387 GLU B N 7209 C CA . GLU B 389 ? 0.7022 0.5030 0.4735 -0.1229 0.0529 0.0707 387 GLU B CA 7210 C C . GLU B 389 ? 0.7679 0.5492 0.5145 -0.1074 0.0471 0.0727 387 GLU B C 7211 O O . GLU B 389 ? 0.8546 0.6183 0.5945 -0.0963 0.0325 0.0733 387 GLU B O 7212 C CB . GLU B 389 ? 0.6354 0.4100 0.3855 -0.1400 0.0608 0.0774 387 GLU B CB 7213 C CG . GLU B 389 ? 0.7996 0.5817 0.5692 -0.1539 0.0600 0.0742 387 GLU B CG 7214 C CD . GLU B 389 ? 0.9677 0.7422 0.7301 -0.1690 0.0701 0.0763 387 GLU B CD 7215 O OE1 . GLU B 389 ? 0.9282 0.6873 0.6687 -0.1680 0.0765 0.0812 387 GLU B OE1 7216 O OE2 . GLU B 389 ? 1.0446 0.8289 0.8226 -0.1827 0.0711 0.0726 387 GLU B OE2 7217 N N . ALA B 390 ? 0.7258 0.5118 0.4589 -0.1073 0.0590 0.0733 388 ALA B N 7218 C CA . ALA B 390 ? 0.7966 0.5643 0.5025 -0.0953 0.0543 0.0742 388 ALA B CA 7219 C C . ALA B 390 ? 0.7959 0.5756 0.5182 -0.0789 0.0412 0.0672 388 ALA B C 7220 O O . ALA B 390 ? 0.8047 0.5644 0.5094 -0.0699 0.0280 0.0689 388 ALA B O 7221 C CB . ALA B 390 ? 0.7128 0.4854 0.4017 -0.0991 0.0720 0.0740 388 ALA B CB 7222 N N . LEU B 391 ? 0.6709 0.4839 0.4271 -0.0755 0.0441 0.0602 389 LEU B N 7223 C CA . LEU B 391 ? 0.6829 0.5061 0.4542 -0.0610 0.0329 0.0542 389 LEU B CA 7224 C C . LEU B 391 ? 0.7181 0.5302 0.4949 -0.0575 0.0153 0.0555 389 LEU B C 7225 O O . LEU B 391 ? 0.6885 0.4911 0.4587 -0.0471 0.0031 0.0541 389 LEU B O 7226 C CB . LEU B 391 ? 0.6321 0.4925 0.4385 -0.0574 0.0397 0.0483 389 LEU B CB 7227 C CG . LEU B 391 ? 0.6213 0.4865 0.4373 -0.0423 0.0299 0.0428 389 LEU B CG 7228 C CD1 . LEU B 391 ? 0.5658 0.4094 0.3511 -0.0354 0.0318 0.0407 389 LEU B CD1 7229 C CD2 . LEU B 391 ? 0.6282 0.5290 0.4796 -0.0369 0.0355 0.0388 389 LEU B CD2 7230 N N . GLY B 392 ? 0.6553 0.4681 0.4431 -0.0671 0.0148 0.0578 390 GLY B N 7231 C CA . GLY B 392 ? 0.5342 0.3334 0.3247 -0.0645 0.0011 0.0589 390 GLY B CA 7232 C C . GLY B 392 ? 0.6252 0.3909 0.3857 -0.0593 -0.0070 0.0654 390 GLY B C 7233 O O . GLY B 392 ? 0.7693 0.5289 0.5317 -0.0494 -0.0204 0.0653 390 GLY B O 7234 N N . ASP B 393 ? 0.6617 0.4081 0.3956 -0.0660 0.0010 0.0717 391 ASP B N 7235 C CA . ASP B 393 ? 0.6807 0.4127 0.4006 -0.0575 -0.0070 0.0737 391 ASP B CA 7236 C C . ASP B 393 ? 0.7466 0.4822 0.4582 -0.0471 -0.0145 0.0711 391 ASP B C 7237 O O . ASP B 393 ? 0.7517 0.4859 0.4657 -0.0380 -0.0265 0.0707 391 ASP B O 7238 C CB . ASP B 393 ? 0.7411 0.4584 0.4409 -0.0666 0.0033 0.0792 391 ASP B CB 7239 C CG . ASP B 393 ? 0.8602 0.5675 0.5663 -0.0743 0.0060 0.0815 391 ASP B CG 7240 O OD1 . ASP B 393 ? 0.8974 0.6025 0.6170 -0.0674 -0.0036 0.0798 391 ASP B OD1 7241 O OD2 . ASP B 393 ? 0.8035 0.5058 0.5011 -0.0874 0.0185 0.0844 391 ASP B OD2 7242 N N . VAL B 394 ? 0.6602 0.4013 0.3620 -0.0492 -0.0059 0.0689 392 VAL B N 7243 C CA . VAL B 394 ? 0.6246 0.3676 0.3178 -0.0408 -0.0121 0.0643 392 VAL B CA 7244 C C . VAL B 394 ? 0.6016 0.3555 0.3177 -0.0312 -0.0274 0.0601 392 VAL B C 7245 O O . VAL B 394 ? 0.5804 0.3351 0.2969 -0.0249 -0.0384 0.0580 392 VAL B O 7246 C CB . VAL B 394 ? 0.7195 0.4715 0.4075 -0.0423 0.0019 0.0594 392 VAL B CB 7247 C CG1 . VAL B 394 ? 0.6907 0.4455 0.3773 -0.0326 -0.0060 0.0522 392 VAL B CG1 7248 C CG2 . VAL B 394 ? 0.6510 0.3916 0.3102 -0.0506 0.0175 0.0626 392 VAL B CG2 7249 N N . VAL B 395 ? 0.6327 0.3972 0.3695 -0.0316 -0.0275 0.0590 393 VAL B N 7250 C CA . VAL B 395 ? 0.5362 0.3138 0.2965 -0.0234 -0.0400 0.0544 393 VAL B CA 7251 C C . VAL B 395 ? 0.6240 0.4032 0.3984 -0.0195 -0.0492 0.0546 393 VAL B C 7252 O O . VAL B 395 ? 0.5846 0.3732 0.3706 -0.0127 -0.0585 0.0511 393 VAL B O 7253 C CB . VAL B 395 ? 0.6053 0.4044 0.3926 -0.0242 -0.0354 0.0498 393 VAL B CB 7254 C CG1 . VAL B 395 ? 0.5890 0.3975 0.3973 -0.0184 -0.0477 0.0474 393 VAL B CG1 7255 C CG2 . VAL B 395 ? 0.4941 0.3053 0.2828 -0.0214 -0.0262 0.0440 393 VAL B CG2 7256 N N . GLY B 396 ? 0.5873 0.3565 0.3592 -0.0246 -0.0448 0.0590 394 GLY B N 7257 C CA . GLY B 396 ? 0.6464 0.4128 0.4263 -0.0196 -0.0509 0.0603 394 GLY B CA 7258 C C . GLY B 396 ? 0.6692 0.4311 0.4383 -0.0140 -0.0565 0.0635 394 GLY B C 7259 O O . GLY B 396 ? 0.6090 0.3797 0.3912 -0.0064 -0.0645 0.0628 394 GLY B O 7260 N N . ASP B 397 ? 0.5740 0.3235 0.3193 -0.0184 -0.0518 0.0675 395 ASP B N 7261 C CA . ASP B 397 ? 0.5484 0.2925 0.2807 -0.0145 -0.0575 0.0720 395 ASP B CA 7262 C C . ASP B 397 ? 0.6000 0.3576 0.3373 -0.0096 -0.0666 0.0677 395 ASP B C 7263 O O . ASP B 397 ? 0.6184 0.3823 0.3625 -0.0037 -0.0751 0.0703 395 ASP B O 7264 C CB . ASP B 397 ? 0.6916 0.4194 0.3951 -0.0218 -0.0496 0.0769 395 ASP B CB 7265 C CG . ASP B 397 ? 0.7434 0.4566 0.4409 -0.0285 -0.0400 0.0820 395 ASP B CG 7266 O OD1 . ASP B 397 ? 0.7483 0.4589 0.4595 -0.0256 -0.0422 0.0836 395 ASP B OD1 7267 O OD2 . ASP B 397 ? 0.7601 0.4641 0.4388 -0.0375 -0.0293 0.0840 395 ASP B OD2 7268 N N . TYR B 398 ? 0.5915 0.3530 0.3252 -0.0124 -0.0639 0.0617 396 TYR B N 7269 C CA . TYR B 398 ? 0.6158 0.3864 0.3514 -0.0099 -0.0712 0.0566 396 TYR B CA 7270 C C . TYR B 398 ? 0.5987 0.3877 0.3636 -0.0044 -0.0789 0.0530 396 TYR B C 7271 O O . TYR B 398 ? 0.5931 0.3905 0.3628 -0.0018 -0.0870 0.0529 396 TYR B O 7272 C CB . TYR B 398 ? 0.6962 0.4626 0.4189 -0.0134 -0.0645 0.0511 396 TYR B CB 7273 C CG . TYR B 398 ? 0.6705 0.4422 0.3937 -0.0119 -0.0709 0.0447 396 TYR B CG 7274 C CD1 . TYR B 398 ? 0.6101 0.3781 0.3188 -0.0134 -0.0774 0.0453 396 TYR B CD1 7275 C CD2 . TYR B 398 ? 0.6864 0.4656 0.4233 -0.0098 -0.0707 0.0387 396 TYR B CD2 7276 C CE1 . TYR B 398 ? 0.6128 0.3834 0.3203 -0.0141 -0.0828 0.0395 396 TYR B CE1 7277 C CE2 . TYR B 398 ? 0.6621 0.4423 0.3974 -0.0095 -0.0760 0.0330 396 TYR B CE2 7278 C CZ . TYR B 398 ? 0.6790 0.4542 0.3993 -0.0124 -0.0817 0.0332 396 TYR B CZ 7279 O OH . TYR B 398 ? 0.8031 0.5775 0.5203 -0.0142 -0.0868 0.0277 396 TYR B OH 7280 N N . ASN B 399 ? 0.5520 0.3480 0.3355 -0.0035 -0.0760 0.0504 397 ASN B N 7281 C CA . ASN B 399 ? 0.5353 0.3491 0.3451 0.0006 -0.0811 0.0461 397 ASN B CA 7282 C C . ASN B 399 ? 0.5635 0.3833 0.3876 0.0057 -0.0843 0.0497 397 ASN B C 7283 O O . ASN B 399 ? 0.5394 0.3738 0.3802 0.0093 -0.0889 0.0479 397 ASN B O 7284 C CB . ASN B 399 ? 0.4485 0.2691 0.2712 -0.0006 -0.0773 0.0413 397 ASN B CB 7285 C CG . ASN B 399 ? 0.5508 0.3692 0.3639 -0.0022 -0.0757 0.0374 397 ASN B CG 7286 O OD1 . ASN B 399 ? 0.5453 0.3689 0.3616 -0.0012 -0.0803 0.0335 397 ASN B OD1 7287 N ND2 . ASN B 399 ? 0.5864 0.3958 0.3865 -0.0050 -0.0682 0.0390 397 ASN B ND2 7288 N N . PHE B 400 ? 0.5513 0.3581 0.3673 0.0058 -0.0808 0.0554 398 PHE B N 7289 C CA . PHE B 400 ? 0.5256 0.3345 0.3541 0.0118 -0.0823 0.0588 398 PHE B CA 7290 C C . PHE B 400 ? 0.5238 0.3200 0.3391 0.0153 -0.0834 0.0680 398 PHE B C 7291 O O . PHE B 400 ? 0.5948 0.3993 0.4163 0.0219 -0.0893 0.0724 398 PHE B O 7292 C CB . PHE B 400 ? 0.5545 0.3593 0.3917 0.0098 -0.0768 0.0561 398 PHE B CB 7293 C CG . PHE B 400 ? 0.6039 0.4236 0.4563 0.0077 -0.0770 0.0484 398 PHE B CG 7294 C CD1 . PHE B 400 ? 0.5489 0.3853 0.4207 0.0121 -0.0806 0.0448 398 PHE B CD1 7295 C CD2 . PHE B 400 ? 0.5771 0.3945 0.4242 0.0013 -0.0731 0.0460 398 PHE B CD2 7296 C CE1 . PHE B 400 ? 0.6096 0.4591 0.4945 0.0098 -0.0805 0.0384 398 PHE B CE1 7297 C CE2 . PHE B 400 ? 0.5890 0.4205 0.4505 0.0004 -0.0739 0.0404 398 PHE B CE2 7298 C CZ . PHE B 400 ? 0.4623 0.3093 0.3424 0.0043 -0.0777 0.0364 398 PHE B CZ 7299 N N . ILE B 401 ? 0.6462 0.4229 0.4432 0.0104 -0.0775 0.0718 399 ILE B N 7300 C CA . ILE B 401 ? 0.6604 0.4211 0.4441 0.0132 -0.0770 0.0814 399 ILE B CA 7301 C C . ILE B 401 ? 0.6951 0.4597 0.4683 0.0165 -0.0844 0.0875 399 ILE B C 7302 O O . ILE B 401 ? 0.8016 0.5701 0.5810 0.0248 -0.0896 0.0946 399 ILE B O 7303 C CB . ILE B 401 ? 0.6655 0.4044 0.4295 0.0045 -0.0680 0.0840 399 ILE B CB 7304 C CG1 . ILE B 401 ? 0.7013 0.4355 0.4754 0.0004 -0.0613 0.0795 399 ILE B CG1 7305 C CG2 . ILE B 401 ? 0.6381 0.3591 0.3854 0.0068 -0.0677 0.0948 399 ILE B CG2 7306 C CD1 . ILE B 401 ? 0.8074 0.5231 0.5643 -0.0110 -0.0510 0.0813 399 ILE B CD1 7307 N N . CYS B 402 ? 0.6223 0.3858 0.3790 0.0103 -0.0847 0.0852 400 CYS B N 7308 C CA . CYS B 402 ? 0.6598 0.4264 0.4033 0.0116 -0.0922 0.0902 400 CYS B CA 7309 C C . CYS B 402 ? 0.6709 0.4601 0.4330 0.0180 -0.1020 0.0896 400 CYS B C 7310 O O . CYS B 402 ? 0.6683 0.4623 0.4279 0.0235 -0.1089 0.0982 400 CYS B O 7311 C CB . CYS B 402 ? 0.6978 0.4564 0.4172 0.0028 -0.0893 0.0866 400 CYS B CB 7312 S SG . CYS B 402 ? 0.8996 0.6333 0.5942 -0.0053 -0.0766 0.0901 400 CYS B SG 7313 N N . PRO B 403 ? 0.6830 0.4870 0.4637 0.0172 -0.1024 0.0804 401 PRO B N 7314 C CA . PRO B 403 ? 0.7339 0.5597 0.5336 0.0230 -0.1100 0.0811 401 PRO B CA 7315 C C . PRO B 403 ? 0.7048 0.5357 0.5189 0.0334 -0.1113 0.0896 401 PRO B C 7316 O O . PRO B 403 ? 0.6368 0.4810 0.4553 0.0395 -0.1187 0.0967 401 PRO B O 7317 C CB . PRO B 403 ? 0.6275 0.4644 0.4448 0.0200 -0.1075 0.0703 401 PRO B CB 7318 C CG . PRO B 403 ? 0.7168 0.5399 0.5177 0.0120 -0.1022 0.0645 401 PRO B CG 7319 C CD . PRO B 403 ? 0.6980 0.5013 0.4805 0.0108 -0.0969 0.0704 401 PRO B CD 7320 N N . ALA B 404 ? 0.6008 0.4211 0.4215 0.0355 -0.1043 0.0892 402 ALA B N 7321 C CA . ALA B 404 ? 0.6030 0.4234 0.4360 0.0460 -0.1040 0.0970 402 ALA B CA 7322 C C . ALA B 404 ? 0.7103 0.5215 0.5301 0.0522 -0.1078 0.1109 402 ALA B C 7323 O O . ALA B 404 ? 0.7086 0.5320 0.5397 0.0625 -0.1128 0.1197 402 ALA B O 7324 C CB . ALA B 404 ? 0.5333 0.3387 0.3708 0.0451 -0.0953 0.0932 402 ALA B CB 7325 N N . LEU B 405 ? 0.7750 0.5658 0.5708 0.0461 -0.1053 0.1138 403 LEU B N 7326 C CA . LEU B 405 ? 0.8024 0.5834 0.5824 0.0508 -0.1091 0.1275 403 LEU B CA 7327 C C . LEU B 405 ? 0.8576 0.6588 0.6351 0.0531 -0.1200 0.1321 403 LEU B C 7328 O O . LEU B 405 ? 1.0007 0.8075 0.7788 0.0624 -0.1261 0.1448 403 LEU B O 7329 C CB . LEU B 405 ? 0.7502 0.5060 0.5023 0.0416 -0.1035 0.1287 403 LEU B CB 7330 C CG . LEU B 405 ? 0.6943 0.4266 0.4436 0.0387 -0.0929 0.1277 403 LEU B CG 7331 C CD1 . LEU B 405 ? 0.5887 0.3040 0.3136 0.0262 -0.0861 0.1245 403 LEU B CD1 7332 C CD2 . LEU B 405 ? 0.6230 0.3406 0.3716 0.0480 -0.0928 0.1410 403 LEU B CD2 7333 N N . GLU B 406 ? 0.8226 0.6337 0.5961 0.0445 -0.1224 0.1221 404 GLU B N 7334 C CA . GLU B 406 ? 0.7744 0.6012 0.5402 0.0437 -0.1327 0.1248 404 GLU B CA 7335 C C . GLU B 406 ? 0.7169 0.5712 0.5076 0.0532 -0.1395 0.1280 404 GLU B C 7336 O O . GLU B 406 ? 0.8393 0.7077 0.6272 0.0587 -0.1488 0.1373 404 GLU B O 7337 C CB . GLU B 406 ? 0.6943 0.5199 0.4480 0.0313 -0.1322 0.1126 404 GLU B CB 7338 C CG . GLU B 406 ? 0.8474 0.6812 0.5844 0.0271 -0.1419 0.1142 404 GLU B CG 7339 C CD . GLU B 406 ? 1.0498 0.8695 0.7589 0.0270 -0.1446 0.1253 404 GLU B CD 7340 O OE1 . GLU B 406 ? 1.0799 0.8787 0.7784 0.0272 -0.1370 0.1298 404 GLU B OE1 7341 O OE2 . GLU B 406 ? 1.1153 0.9449 0.8122 0.0260 -0.1545 0.1296 404 GLU B OE2 7342 N N . PHE B 407 ? 0.6658 0.5284 0.4801 0.0555 -0.1346 0.1211 405 PHE B N 7343 C CA . PHE B 407 ? 0.7044 0.5926 0.5429 0.0651 -0.1388 0.1242 405 PHE B CA 7344 C C . PHE B 407 ? 0.7497 0.6380 0.5933 0.0793 -0.1404 0.1400 405 PHE B C 7345 O O . PHE B 407 ? 0.8019 0.7117 0.6521 0.0882 -0.1487 0.1490 405 PHE B O 7346 C CB . PHE B 407 ? 0.6547 0.5475 0.5145 0.0643 -0.1315 0.1139 405 PHE B CB 7347 C CG . PHE B 407 ? 0.7009 0.6181 0.5849 0.0747 -0.1339 0.1177 405 PHE B CG 7348 C CD1 . PHE B 407 ? 0.7323 0.6748 0.6247 0.0730 -0.1413 0.1142 405 PHE B CD1 7349 C CD2 . PHE B 407 ? 0.6972 0.6102 0.5947 0.0860 -0.1289 0.1245 405 PHE B CD2 7350 C CE1 . PHE B 407 ? 0.6132 0.5788 0.5267 0.0827 -0.1439 0.1175 405 PHE B CE1 7351 C CE2 . PHE B 407 ? 0.6704 0.6062 0.5900 0.0966 -0.1303 0.1286 405 PHE B CE2 7352 C CZ . PHE B 407 ? 0.6103 0.5737 0.5375 0.0953 -0.1379 0.1250 405 PHE B CZ 7353 N N . THR B 408 ? 0.6336 0.4972 0.4736 0.0817 -0.1325 0.1435 406 THR B N 7354 C CA . THR B 408 ? 0.6936 0.5517 0.5400 0.0954 -0.1323 0.1588 406 THR B CA 7355 C C . THR B 408 ? 0.7208 0.5813 0.5508 0.1003 -0.1413 0.1737 406 THR B C 7356 O O . THR B 408 ? 0.7486 0.6237 0.5904 0.1140 -0.1464 0.1875 406 THR B O 7357 C CB . THR B 408 ? 0.8500 0.6761 0.6933 0.0946 -0.1217 0.1578 406 THR B CB 7358 O OG1 . THR B 408 ? 0.7956 0.6224 0.6519 0.0896 -0.1148 0.1435 406 THR B OG1 7359 C CG2 . THR B 408 ? 0.8499 0.6684 0.7048 0.1090 -0.1207 0.1723 406 THR B CG2 7360 N N . LYS B 409 ? 0.6844 0.5319 0.4874 0.0895 -0.1432 0.1715 407 LYS B N 7361 C CA . LYS B 409 ? 0.7973 0.6472 0.5807 0.0926 -0.1524 0.1848 407 LYS B CA 7362 C C . LYS B 409 ? 0.9279 0.8131 0.7211 0.0996 -0.1644 0.1888 407 LYS B C 7363 O O . LYS B 409 ? 0.9949 0.8914 0.7901 0.1127 -0.1713 0.2048 407 LYS B O 7364 C CB . LYS B 409 ? 0.7023 0.5346 0.4540 0.0779 -0.1522 0.1790 407 LYS B CB 7365 C CG . LYS B 409 ? 0.8796 0.6776 0.6155 0.0717 -0.1414 0.1781 407 LYS B CG 7366 C CD . LYS B 409 ? 1.0275 0.8118 0.7343 0.0568 -0.1396 0.1703 407 LYS B CD 7367 C CE . LYS B 409 ? 1.1530 0.9474 0.8393 0.0554 -0.1506 0.1771 407 LYS B CE 7368 N NZ . LYS B 409 ? 1.3699 1.1523 1.0394 0.0623 -0.1538 0.1954 407 LYS B NZ 7369 N N . LYS B 410 ? 0.9113 0.8134 0.7100 0.0909 -0.1671 0.1746 408 LYS B N 7370 C CA . LYS B 410 ? 0.8918 0.8264 0.6973 0.0947 -0.1789 0.1751 408 LYS B CA 7371 C C . LYS B 410 ? 0.8729 0.8311 0.7066 0.1117 -0.1801 0.1824 408 LYS B C 7372 O O . LYS B 410 ? 0.9633 0.9426 0.7985 0.1236 -0.1907 0.1927 408 LYS B O 7373 C CB . LYS B 410 ? 0.8754 0.8175 0.6811 0.0799 -0.1799 0.1574 408 LYS B CB 7374 C CG . LYS B 410 ? 0.9504 0.8718 0.7271 0.0643 -0.1797 0.1506 408 LYS B CG 7375 C CD . LYS B 410 ? 1.0615 0.9912 0.8387 0.0512 -0.1819 0.1353 408 LYS B CD 7376 C CE . LYS B 410 ? 1.1960 1.1061 0.9417 0.0374 -0.1827 0.1302 408 LYS B CE 7377 N NZ . LYS B 410 ? 1.2676 1.1776 0.9899 0.0399 -0.1922 0.1423 408 LYS B NZ 7378 N N . PHE B 411 ? 0.8020 0.7561 0.6566 0.1132 -0.1697 0.1765 409 PHE B N 7379 C CA . PHE B 411 ? 0.7953 0.7677 0.6763 0.1295 -0.1686 0.1835 409 PHE B CA 7380 C C . PHE B 411 ? 0.8800 0.8474 0.7625 0.1446 -0.1692 0.2023 409 PHE B C 7381 O O . PHE B 411 ? 1.0389 1.0291 0.9332 0.1581 -0.1753 0.2088 409 PHE B O 7382 C CB . PHE B 411 ? 0.7348 0.6962 0.6340 0.1267 -0.1558 0.1744 409 PHE B CB 7383 C CG . PHE B 411 ? 0.7261 0.7076 0.6535 0.1391 -0.1534 0.1759 409 PHE B CG 7384 C CD1 . PHE B 411 ? 0.7088 0.7164 0.6480 0.1374 -0.1572 0.1651 409 PHE B CD1 7385 C CD2 . PHE B 411 ? 0.7458 0.7181 0.6882 0.1513 -0.1473 0.1876 409 PHE B CD2 7386 C CE1 . PHE B 411 ? 0.7251 0.7512 0.6881 0.1489 -0.1541 0.1649 409 PHE B CE1 7387 C CE2 . PHE B 411 ? 0.7296 0.7200 0.6992 0.1620 -0.1440 0.1889 409 PHE B CE2 7388 C CZ . PHE B 411 ? 0.7367 0.7554 0.7146 0.1619 -0.1464 0.1771 409 PHE B CZ 7389 N N . SER B 412 ? 0.7809 0.7169 0.6503 0.1425 -0.1637 0.2104 410 SER B N 7390 C CA . SER B 412 ? 0.8267 0.7532 0.6990 0.1552 -0.1643 0.2289 410 SER B CA 7391 C C . SER B 412 ? 0.9125 0.8543 0.7670 0.1612 -0.1769 0.2403 410 SER B C 7392 O O . SER B 412 ? 0.9276 0.8747 0.7898 0.1753 -0.1799 0.2562 410 SER B O 7393 C CB . SER B 412 ? 0.7960 0.6806 0.6570 0.1507 -0.1559 0.2336 410 SER B CB 7394 O OG . SER B 412 ? 0.8342 0.7009 0.6622 0.1384 -0.1575 0.2306 410 SER B OG 7395 N N . GLU B 413 ? 0.9564 0.9050 0.7876 0.1504 -0.1847 0.2322 411 GLU B N 7396 C CA . GLU B 413 ? 1.0680 1.0291 0.8778 0.1542 -0.1984 0.2408 411 GLU B CA 7397 C C . GLU B 413 ? 1.0900 1.0856 0.9138 0.1687 -0.2100 0.2411 411 GLU B C 7398 O O . GLU B 413 ? 1.1895 1.1960 0.9973 0.1757 -0.2236 0.2486 411 GLU B O 7399 C CB . GLU B 413 ? 1.0985 1.0534 0.8801 0.1354 -0.2037 0.2296 411 GLU B CB 7400 C CG . GLU B 413 ? 1.3076 1.2683 1.0607 0.1354 -0.2177 0.2380 411 GLU B CG 7401 C CD . GLU B 413 ? 1.5290 1.4702 1.2658 0.1444 -0.2171 0.2588 411 GLU B CD 7402 O OE1 . GLU B 413 ? 1.5397 1.4898 1.2912 0.1625 -0.2188 0.2728 411 GLU B OE1 7403 O OE2 . GLU B 413 ? 1.6524 1.5668 1.3624 0.1314 -0.2139 0.2585 411 GLU B OE2 7404 N N . TRP B 414 ? 1.0633 1.0742 0.9144 0.1738 -0.2057 0.2319 412 TRP B N 7405 C CA . TRP B 414 ? 0.9781 1.0173 0.8411 0.1900 -0.2170 0.2289 412 TRP B CA 7406 C C . TRP B 414 ? 0.9467 0.9849 0.8281 0.2125 -0.2092 0.2393 412 TRP B C 7407 O O . TRP B 414 ? 0.9718 1.0230 0.8635 0.2291 -0.2164 0.2296 412 TRP B O 7408 C CB . TRP B 414 ? 0.8949 0.9530 0.7726 0.1809 -0.2202 0.2095 412 TRP B CB 7409 C CG . TRP B 414 ? 0.9082 0.9738 0.7686 0.1620 -0.2319 0.2006 412 TRP B CG 7410 C CD1 . TRP B 414 ? 0.8727 0.9233 0.7206 0.1421 -0.2254 0.1931 412 TRP B CD1 7411 C CD2 . TRP B 414 ? 0.9602 1.0477 0.8129 0.1609 -0.2528 0.1980 412 TRP B CD2 7412 N NE1 . TRP B 414 ? 0.9039 0.9646 0.7367 0.1285 -0.2384 0.1857 412 TRP B NE1 7413 C CE2 . TRP B 414 ? 0.9902 1.0755 0.8256 0.1392 -0.2559 0.1897 412 TRP B CE2 7414 C CE3 . TRP B 414 ? 1.0366 1.1439 0.8955 0.1756 -0.2708 0.2014 412 TRP B CE3 7415 C CZ2 . TRP B 414 ? 1.0538 1.1559 0.8795 0.1288 -0.2735 0.1849 412 TRP B CZ2 7416 C CZ3 . TRP B 414 ? 1.0418 1.1692 0.8923 0.1659 -0.2911 0.1982 412 TRP B CZ3 7417 C CH2 . TRP B 414 ? 1.0711 1.1968 0.9042 0.1428 -0.2919 0.1906 412 TRP B CH2 7418 N N . GLY B 415 ? 0.8586 0.8755 0.7436 0.2120 -0.1974 0.2571 413 GLY B N 7419 C CA . GLY B 415 ? 0.8511 0.8684 0.7610 0.2285 -0.1895 0.2746 413 GLY B CA 7420 C C . GLY B 415 ? 0.8374 0.8582 0.7881 0.2246 -0.1769 0.2726 413 GLY B C 7421 O O . GLY B 415 ? 0.9236 0.9652 0.9012 0.2394 -0.1749 0.2794 413 GLY B O 7422 N N . ASN B 416 ? 0.8613 0.8587 0.8144 0.2055 -0.1699 0.2621 414 ASN B N 7423 C CA . ASN B 416 ? 0.8451 0.8343 0.8322 0.1995 -0.1619 0.2569 414 ASN B CA 7424 C C . ASN B 416 ? 0.8185 0.7582 0.8015 0.1912 -0.1576 0.2570 414 ASN B C 7425 O O . ASN B 416 ? 0.8663 0.7845 0.8165 0.1838 -0.1550 0.2530 414 ASN B O 7426 C CB . ASN B 416 ? 0.8729 0.8754 0.8506 0.1931 -0.1568 0.2335 414 ASN B CB 7427 C CG . ASN B 416 ? 0.9183 0.9572 0.8857 0.2066 -0.1647 0.2214 414 ASN B CG 7428 O OD1 . ASN B 416 ? 1.0008 1.0538 0.9763 0.2266 -0.1645 0.2160 414 ASN B OD1 7429 N ND2 . ASN B 416 ? 0.8596 0.9026 0.8018 0.1975 -0.1772 0.2104 414 ASN B ND2 7430 N N . ASN B 417 ? 0.8249 0.7415 0.8362 0.1939 -0.1587 0.2581 415 ASN B N 7431 C CA . ASN B 417 ? 0.8670 0.7352 0.8635 0.1925 -0.1501 0.2520 415 ASN B CA 7432 C C . ASN B 417 ? 0.8550 0.7167 0.8358 0.1814 -0.1373 0.2329 415 ASN B C 7433 O O . ASN B 417 ? 0.7268 0.6064 0.7240 0.1794 -0.1336 0.2211 415 ASN B O 7434 C CB . ASN B 417 ? 0.8743 0.7153 0.8947 0.2037 -0.1539 0.2514 415 ASN B CB 7435 C CG . ASN B 417 ? 0.8960 0.7221 0.9206 0.2157 -0.1683 0.2686 415 ASN B CG 7436 O OD1 . ASN B 417 ? 0.7877 0.6363 0.8093 0.2140 -0.1791 0.2832 415 ASN B OD1 7437 N ND2 . ASN B 417 ? 0.9151 0.7025 0.9434 0.2295 -0.1674 0.2672 415 ASN B ND2 7438 N N . ALA B 418 ? 0.9067 0.7416 0.8562 0.1732 -0.1323 0.2305 416 ALA B N 7439 C CA . ALA B 418 ? 0.8370 0.6609 0.7717 0.1607 -0.1233 0.2136 416 ALA B CA 7440 C C . ALA B 418 ? 0.8646 0.6425 0.7835 0.1568 -0.1144 0.2095 416 ALA B C 7441 O O . ALA B 418 ? 0.8993 0.6535 0.8028 0.1590 -0.1158 0.2208 416 ALA B O 7442 C CB . ALA B 418 ? 0.7182 0.5560 0.6283 0.1497 -0.1271 0.2093 416 ALA B CB 7443 N N . PHE B 419 ? 0.8182 0.5838 0.7386 0.1503 -0.1048 0.1926 417 PHE B N 7444 C CA . PHE B 419 ? 0.7308 0.4553 0.6330 0.1441 -0.0950 0.1853 417 PHE B CA 7445 C C . PHE B 419 ? 0.7245 0.4477 0.6102 0.1272 -0.0890 0.1685 417 PHE B C 7446 O O . PHE B 419 ? 0.7292 0.4720 0.6267 0.1237 -0.0877 0.1569 417 PHE B O 7447 C CB . PHE B 419 ? 0.8273 0.5339 0.7465 0.1533 -0.0892 0.1810 417 PHE B CB 7448 C CG . PHE B 419 ? 0.9567 0.6632 0.8953 0.1707 -0.0965 0.1962 417 PHE B CG 7449 C CD1 . PHE B 419 ? 0.9982 0.6711 0.9242 0.1769 -0.0967 0.2072 417 PHE B CD1 7450 C CD2 . PHE B 419 ? 0.9653 0.7048 0.9349 0.1808 -0.1041 0.1999 417 PHE B CD2 7451 C CE1 . PHE B 419 ? 1.0121 0.6831 0.9562 0.1940 -0.1052 0.2212 417 PHE B CE1 7452 C CE2 . PHE B 419 ? 1.0578 0.7974 1.0464 0.1965 -0.1133 0.2124 417 PHE B CE2 7453 C CZ . PHE B 419 ? 1.0157 0.7200 0.9922 0.2043 -0.1146 0.2239 417 PHE B CZ 7454 N N . PHE B 420 ? 0.7072 0.4073 0.5662 0.1167 -0.0859 0.1679 418 PHE B N 7455 C CA . PHE B 420 ? 0.7511 0.4501 0.5953 0.1005 -0.0815 0.1537 418 PHE B CA 7456 C C . PHE B 420 ? 0.7562 0.4214 0.5870 0.0919 -0.0707 0.1461 418 PHE B C 7457 O O . PHE B 420 ? 0.7986 0.4346 0.6158 0.0930 -0.0673 0.1538 418 PHE B O 7458 C CB . PHE B 420 ? 0.7734 0.4778 0.5969 0.0926 -0.0867 0.1577 418 PHE B CB 7459 C CG . PHE B 420 ? 0.7709 0.4872 0.5878 0.0790 -0.0856 0.1437 418 PHE B CG 7460 C CD1 . PHE B 420 ? 0.7418 0.4383 0.5438 0.0662 -0.0774 0.1349 418 PHE B CD1 7461 C CD2 . PHE B 420 ? 0.7086 0.4561 0.5348 0.0787 -0.0928 0.1397 418 PHE B CD2 7462 C CE1 . PHE B 420 ? 0.7331 0.4412 0.5313 0.0548 -0.0767 0.1235 418 PHE B CE1 7463 C CE2 . PHE B 420 ? 0.6580 0.4140 0.4789 0.0667 -0.0919 0.1271 418 PHE B CE2 7464 C CZ . PHE B 420 ? 0.6230 0.3597 0.4308 0.0555 -0.0840 0.1195 418 PHE B CZ 7465 N N . TYR B 421 ? 0.7002 0.3694 0.5337 0.0826 -0.0656 0.1314 419 TYR B N 7466 C CA . TYR B 421 ? 0.6723 0.3133 0.4931 0.0722 -0.0557 0.1234 419 TYR B CA 7467 C C . TYR B 421 ? 0.7115 0.3561 0.5184 0.0555 -0.0533 0.1148 419 TYR B C 7468 O O . TYR B 421 ? 0.7720 0.4420 0.5832 0.0528 -0.0586 0.1111 419 TYR B O 7469 C CB . TYR B 421 ? 0.6366 0.2737 0.4725 0.0760 -0.0504 0.1143 419 TYR B CB 7470 C CG . TYR B 421 ? 0.6814 0.3458 0.5308 0.0719 -0.0519 0.1026 419 TYR B CG 7471 C CD1 . TYR B 421 ? 0.6402 0.3033 0.4811 0.0569 -0.0478 0.0916 419 TYR B CD1 7472 C CD2 . TYR B 421 ? 0.6714 0.3631 0.5425 0.0827 -0.0576 0.1034 419 TYR B CD2 7473 C CE1 . TYR B 421 ? 0.5751 0.2620 0.4279 0.0536 -0.0500 0.0821 419 TYR B CE1 7474 C CE2 . TYR B 421 ? 0.6863 0.4012 0.5682 0.0785 -0.0589 0.0932 419 TYR B CE2 7475 C CZ . TYR B 421 ? 0.6152 0.3265 0.4874 0.0645 -0.0555 0.0829 419 TYR B CZ 7476 O OH . TYR B 421 ? 0.6325 0.3657 0.5154 0.0611 -0.0577 0.0741 419 TYR B OH 7477 N N . TYR B 422 ? 0.7698 0.3885 0.5605 0.0441 -0.0448 0.1115 420 TYR B N 7478 C CA . TYR B 422 ? 0.7309 0.3519 0.5102 0.0278 -0.0411 0.1042 420 TYR B CA 7479 C C . TYR B 422 ? 0.8172 0.4230 0.5960 0.0180 -0.0324 0.0946 420 TYR B C 7480 O O . TYR B 422 ? 0.8321 0.4097 0.5973 0.0120 -0.0251 0.0963 420 TYR B O 7481 C CB . TYR B 422 ? 0.7558 0.3609 0.5117 0.0204 -0.0390 0.1122 420 TYR B CB 7482 C CG . TYR B 422 ? 0.8535 0.4649 0.5987 0.0047 -0.0353 0.1064 420 TYR B CG 7483 C CD1 . TYR B 422 ? 0.8496 0.4883 0.6029 0.0039 -0.0406 0.1010 420 TYR B CD1 7484 C CD2 . TYR B 422 ? 0.9488 0.5387 0.6762 -0.0096 -0.0261 0.1067 420 TYR B CD2 7485 C CE1 . TYR B 422 ? 0.8577 0.5016 0.6023 -0.0092 -0.0365 0.0966 420 TYR B CE1 7486 C CE2 . TYR B 422 ? 0.8156 0.4135 0.5353 -0.0239 -0.0217 0.1025 420 TYR B CE2 7487 C CZ . TYR B 422 ? 0.8248 0.4493 0.5533 -0.0229 -0.0268 0.0977 420 TYR B CZ 7488 O OH . TYR B 422 ? 0.8139 0.4462 0.5359 -0.0359 -0.0215 0.0943 420 TYR B OH 7489 N N . PHE B 423 ? 0.7922 0.4168 0.5851 0.0158 -0.0333 0.0845 421 PHE B N 7490 C CA . PHE B 423 ? 0.7114 0.3259 0.5053 0.0062 -0.0263 0.0746 421 PHE B CA 7491 C C . PHE B 423 ? 0.7027 0.3139 0.4841 -0.0133 -0.0207 0.0705 421 PHE B C 7492 O O . PHE B 423 ? 0.8027 0.4349 0.5871 -0.0188 -0.0238 0.0684 421 PHE B O 7493 C CB . PHE B 423 ? 0.6267 0.2640 0.4399 0.0114 -0.0302 0.0665 421 PHE B CB 7494 C CG . PHE B 423 ? 0.6606 0.2880 0.4748 0.0029 -0.0239 0.0563 421 PHE B CG 7495 C CD1 . PHE B 423 ? 0.7384 0.3453 0.5534 0.0096 -0.0191 0.0545 421 PHE B CD1 7496 C CD2 . PHE B 423 ? 0.6886 0.3269 0.5026 -0.0122 -0.0225 0.0485 421 PHE B CD2 7497 C CE1 . PHE B 423 ? 0.7960 0.3925 0.6090 0.0003 -0.0128 0.0439 421 PHE B CE1 7498 C CE2 . PHE B 423 ? 0.6270 0.2579 0.4410 -0.0218 -0.0172 0.0389 421 PHE B CE2 7499 C CZ . PHE B 423 ? 0.8034 0.4132 0.6158 -0.0161 -0.0123 0.0360 421 PHE B CZ 7500 N N . GLU B 424 ? 0.7712 0.3565 0.5397 -0.0240 -0.0122 0.0694 422 GLU B N 7501 C CA . GLU B 424 ? 0.8248 0.4060 0.5809 -0.0437 -0.0057 0.0677 422 GLU B CA 7502 C C . GLU B 424 ? 0.8424 0.4188 0.5995 -0.0594 0.0009 0.0574 422 GLU B C 7503 O O . GLU B 424 ? 0.8667 0.4406 0.6154 -0.0774 0.0071 0.0559 422 GLU B O 7504 C CB . GLU B 424 ? 0.9580 0.5125 0.6942 -0.0467 -0.0008 0.0768 422 GLU B CB 7505 C CG . GLU B 424 ? 1.1035 0.6611 0.8343 -0.0349 -0.0068 0.0879 422 GLU B CG 7506 C CD . GLU B 424 ? 1.1644 0.6929 0.8739 -0.0383 -0.0017 0.0975 422 GLU B CD 7507 O OE1 . GLU B 424 ? 1.1123 0.6146 0.8170 -0.0335 0.0011 0.1002 422 GLU B OE1 7508 O OE2 . GLU B 424 ? 1.1702 0.7009 0.8668 -0.0456 -0.0002 0.1027 422 GLU B OE2 7509 N N . HIS B 425 ? 0.8622 0.4375 0.6288 -0.0539 0.0002 0.0504 423 HIS B N 7510 C CA . HIS B 425 ? 0.8287 0.3985 0.5938 -0.0696 0.0061 0.0401 423 HIS B CA 7511 C C . HIS B 425 ? 0.7592 0.3604 0.5390 -0.0773 0.0023 0.0323 423 HIS B C 7512 O O . HIS B 425 ? 0.6455 0.2644 0.4386 -0.0652 -0.0044 0.0312 423 HIS B O 7513 C CB . HIS B 425 ? 0.8728 0.4187 0.6356 -0.0618 0.0095 0.0359 423 HIS B CB 7514 C CG . HIS B 425 ? 0.9522 0.4927 0.7114 -0.0783 0.0151 0.0243 423 HIS B CG 7515 N ND1 . HIS B 425 ? 0.9653 0.4887 0.7095 -0.0972 0.0225 0.0222 423 HIS B ND1 7516 C CD2 . HIS B 425 ? 0.9271 0.4786 0.6951 -0.0799 0.0142 0.0141 423 HIS B CD2 7517 C CE1 . HIS B 425 ? 0.9985 0.5238 0.7426 -0.1099 0.0253 0.0111 423 HIS B CE1 7518 N NE2 . HIS B 425 ? 0.9415 0.4833 0.6993 -0.0996 0.0204 0.0060 423 HIS B NE2 7519 N N . ARG B 426 ? 0.7718 0.3813 0.5499 -0.0980 0.0064 0.0275 424 ARG B N 7520 C CA . ARG B 426 ? 0.7546 0.3949 0.5472 -0.1075 0.0028 0.0205 424 ARG B CA 7521 C C . ARG B 426 ? 0.7889 0.4256 0.5823 -0.1153 0.0050 0.0099 424 ARG B C 7522 O O . ARG B 426 ? 0.8395 0.4609 0.6219 -0.1296 0.0115 0.0062 424 ARG B O 7523 C CB . ARG B 426 ? 0.7566 0.4154 0.5509 -0.1258 0.0056 0.0219 424 ARG B CB 7524 C CG . ARG B 426 ? 0.7760 0.4718 0.5891 -0.1333 0.0005 0.0169 424 ARG B CG 7525 C CD . ARG B 426 ? 0.7674 0.4857 0.5861 -0.1523 0.0044 0.0180 424 ARG B CD 7526 N NE . ARG B 426 ? 0.8007 0.5477 0.6339 -0.1665 0.0023 0.0104 424 ARG B NE 7527 C CZ . ARG B 426 ? 0.8344 0.6171 0.6872 -0.1670 -0.0039 0.0096 424 ARG B CZ 7528 N NH1 . ARG B 426 ? 0.9288 0.7198 0.7877 -0.1552 -0.0080 0.0153 424 ARG B NH1 7529 N NH2 . ARG B 426 ? 0.6398 0.4499 0.5054 -0.1791 -0.0065 0.0034 424 ARG B NH2 7530 N N . SER B 427 ? 0.7604 0.4112 0.5654 -0.1067 -0.0004 0.0050 425 SER B N 7531 C CA . SER B 427 ? 0.8059 0.4537 0.6102 -0.1127 0.0015 -0.0054 425 SER B CA 7532 C C . SER B 427 ? 0.8811 0.5438 0.6849 -0.1363 0.0036 -0.0112 425 SER B C 7533 O O . SER B 427 ? 0.8782 0.5699 0.6930 -0.1454 0.0002 -0.0091 425 SER B O 7534 C CB . SER B 427 ? 0.7630 0.4298 0.5809 -0.1017 -0.0051 -0.0091 425 SER B CB 7535 O OG . SER B 427 ? 0.7279 0.3954 0.5439 -0.1100 -0.0032 -0.0195 425 SER B OG 7536 N N . SER B 428 ? 0.8914 0.5352 0.6829 -0.1462 0.0093 -0.0185 426 SER B N 7537 C CA . SER B 428 ? 0.8709 0.5296 0.6612 -0.1693 0.0107 -0.0241 426 SER B CA 7538 C C . SER B 428 ? 0.8752 0.5712 0.6811 -0.1739 0.0035 -0.0296 426 SER B C 7539 O O . SER B 428 ? 0.9266 0.6463 0.7371 -0.1915 0.0021 -0.0326 426 SER B O 7540 C CB . SER B 428 ? 0.8361 0.4613 0.6060 -0.1785 0.0185 -0.0307 426 SER B CB 7541 O OG . SER B 428 ? 0.9633 0.5757 0.7295 -0.1686 0.0191 -0.0377 426 SER B OG 7542 N N . LYS B 429 ? 0.8283 0.5305 0.6425 -0.1577 -0.0013 -0.0303 427 LYS B N 7543 C CA . LYS B 429 ? 0.8823 0.6179 0.7103 -0.1594 -0.0085 -0.0345 427 LYS B CA 7544 C C . LYS B 429 ? 0.9092 0.6778 0.7569 -0.1529 -0.0165 -0.0277 427 LYS B C 7545 O O . LYS B 429 ? 0.9218 0.7208 0.7824 -0.1537 -0.0231 -0.0295 427 LYS B O 7546 C CB . LYS B 429 ? 0.8373 0.5594 0.6612 -0.1469 -0.0082 -0.0405 427 LYS B CB 7547 C CG . LYS B 429 ? 0.9056 0.6069 0.7131 -0.1557 -0.0020 -0.0501 427 LYS B CG 7548 C CD . LYS B 429 ? 0.9058 0.5881 0.7089 -0.1396 0.0007 -0.0549 427 LYS B CD 7549 C CE . LYS B 429 ? 0.8715 0.5839 0.6879 -0.1345 -0.0066 -0.0570 427 LYS B CE 7550 N NZ . LYS B 429 ? 0.9744 0.7052 0.7872 -0.1505 -0.0083 -0.0643 427 LYS B NZ 7551 N N . LEU B 430 ? 0.8007 0.5619 0.6490 -0.1459 -0.0158 -0.0195 428 LEU B N 7552 C CA . LEU B 430 ? 0.7355 0.5209 0.5988 -0.1382 -0.0225 -0.0129 428 LEU B CA 7553 C C . LEU B 430 ? 0.6516 0.4788 0.5322 -0.1508 -0.0270 -0.0129 428 LEU B C 7554 O O . LEU B 430 ? 0.7203 0.5570 0.6021 -0.1651 -0.0234 -0.0117 428 LEU B O 7555 C CB . LEU B 430 ? 0.7857 0.5531 0.6421 -0.1319 -0.0193 -0.0043 428 LEU B CB 7556 C CG . LEU B 430 ? 0.7812 0.5600 0.6456 -0.1210 -0.0248 0.0035 428 LEU B CG 7557 C CD1 . LEU B 430 ? 0.7306 0.5247 0.6064 -0.1092 -0.0336 0.0020 428 LEU B CD1 7558 C CD2 . LEU B 430 ? 0.7973 0.5468 0.6479 -0.1083 -0.0217 0.0106 428 LEU B CD2 7559 N N . PRO B 431 ? 0.6311 0.4852 0.5260 -0.1448 -0.0349 -0.0136 429 PRO B N 7560 C CA . PRO B 431 ? 0.6268 0.5234 0.5398 -0.1537 -0.0398 -0.0130 429 PRO B CA 7561 C C . PRO B 431 ? 0.6481 0.5660 0.5748 -0.1556 -0.0405 -0.0053 429 PRO B C 7562 O O . PRO B 431 ? 0.5743 0.5266 0.5166 -0.1643 -0.0420 -0.0037 429 PRO B O 7563 C CB . PRO B 431 ? 0.6121 0.5258 0.5347 -0.1422 -0.0475 -0.0141 429 PRO B CB 7564 C CG . PRO B 431 ? 0.6620 0.5422 0.5704 -0.1308 -0.0457 -0.0175 429 PRO B CG 7565 C CD . PRO B 431 ? 0.6580 0.5056 0.5536 -0.1284 -0.0397 -0.0143 429 PRO B CD 7566 N N . TRP B 432 ? 0.5593 0.4573 0.4799 -0.1467 -0.0391 -0.0003 430 TRP B N 7567 C CA . TRP B 432 ? 0.4533 0.3677 0.3840 -0.1489 -0.0382 0.0069 430 TRP B CA 7568 C C . TRP B 432 ? 0.5568 0.4673 0.4819 -0.1643 -0.0285 0.0081 430 TRP B C 7569 O O . TRP B 432 ? 0.6824 0.5646 0.5902 -0.1693 -0.0230 0.0046 430 TRP B O 7570 C CB . TRP B 432 ? 0.4578 0.3501 0.3803 -0.1318 -0.0391 0.0120 430 TRP B CB 7571 C CG . TRP B 432 ? 0.5159 0.4157 0.4458 -0.1143 -0.0477 0.0112 430 TRP B CG 7572 C CD1 . TRP B 432 ? 0.5263 0.4030 0.4460 -0.1061 -0.0510 0.0076 430 TRP B CD1 7573 C CD2 . TRP B 432 ? 0.4640 0.3957 0.4129 -0.1027 -0.0532 0.0143 430 TRP B CD2 7574 N NE1 . TRP B 432 ? 0.5380 0.4323 0.4696 -0.0920 -0.0584 0.0085 430 TRP B NE1 7575 C CE2 . TRP B 432 ? 0.4647 0.3902 0.4129 -0.0898 -0.0601 0.0126 430 TRP B CE2 7576 C CE3 . TRP B 432 ? 0.4066 0.3704 0.3731 -0.1016 -0.0520 0.0185 430 TRP B CE3 7577 C CZ2 . TRP B 432 ? 0.3149 0.2625 0.2771 -0.0777 -0.0663 0.0151 430 TRP B CZ2 7578 C CZ3 . TRP B 432 ? 0.4991 0.4831 0.4795 -0.0873 -0.0579 0.0208 430 TRP B CZ3 7579 C CH2 . TRP B 432 ? 0.4404 0.4149 0.4176 -0.0765 -0.0652 0.0192 430 TRP B CH2 7580 N N . PRO B 433 ? 0.5056 0.4460 0.4464 -0.1715 -0.0256 0.0132 431 PRO B N 7581 C CA . PRO B 433 ? 0.5247 0.4665 0.4625 -0.1869 -0.0158 0.0143 431 PRO B CA 7582 C C . PRO B 433 ? 0.6130 0.5104 0.5251 -0.1853 -0.0073 0.0177 431 PRO B C 7583 O O . PRO B 433 ? 0.6575 0.5287 0.5572 -0.1709 -0.0092 0.0208 431 PRO B O 7584 C CB . PRO B 433 ? 0.4828 0.4691 0.4460 -0.1897 -0.0139 0.0203 431 PRO B CB 7585 C CG . PRO B 433 ? 0.4522 0.4381 0.4190 -0.1663 -0.0184 0.0237 431 PRO B CG 7586 C CD . PRO B 433 ? 0.4724 0.4451 0.4339 -0.1595 -0.0290 0.0185 431 PRO B CD 7587 N N . GLU B 434 ? 0.6898 0.5805 0.5943 -0.1990 0.0012 0.0177 432 GLU B N 7588 C CA . GLU B 434 ? 0.8241 0.6734 0.7035 -0.1977 0.0091 0.0213 432 GLU B CA 7589 C C . GLU B 434 ? 0.8011 0.6416 0.6732 -0.1886 0.0136 0.0300 432 GLU B C 7590 O O . GLU B 434 ? 0.8037 0.6077 0.6545 -0.1771 0.0142 0.0334 432 GLU B O 7591 C CB . GLU B 434 ? 0.9242 0.7711 0.7980 -0.2162 0.0172 0.0198 432 GLU B CB 7592 C CG . GLU B 434 ? 1.1834 1.0213 1.0520 -0.2242 0.0142 0.0114 432 GLU B CG 7593 C CD . GLU B 434 ? 1.3918 1.2128 1.2465 -0.2411 0.0224 0.0104 432 GLU B CD 7594 O OE1 . GLU B 434 ? 1.4189 1.2401 1.2710 -0.2473 0.0303 0.0164 432 GLU B OE1 7595 O OE2 . GLU B 434 ? 1.4822 1.2887 1.3273 -0.2487 0.0216 0.0036 432 GLU B OE2 7596 N N . TRP B 435 ? 0.7449 0.6202 0.6345 -0.1926 0.0170 0.0340 433 TRP B N 7597 C CA . TRP B 435 ? 0.7357 0.6015 0.6144 -0.1845 0.0231 0.0419 433 TRP B CA 7598 C C . TRP B 435 ? 0.7503 0.5945 0.6184 -0.1598 0.0140 0.0430 433 TRP B C 7599 O O . TRP B 435 ? 0.7038 0.5289 0.5545 -0.1495 0.0169 0.0485 433 TRP B O 7600 C CB . TRP B 435 ? 0.6740 0.5884 0.5783 -0.1836 0.0289 0.0436 433 TRP B CB 7601 C CG . TRP B 435 ? 0.7098 0.6617 0.6420 -0.1688 0.0195 0.0403 433 TRP B CG 7602 C CD1 . TRP B 435 ? 0.6857 0.6789 0.6461 -0.1767 0.0152 0.0373 433 TRP B CD1 7603 C CD2 . TRP B 435 ? 0.6147 0.5657 0.5480 -0.1445 0.0133 0.0406 433 TRP B CD2 7604 N NE1 . TRP B 435 ? 0.6010 0.6171 0.5794 -0.1575 0.0069 0.0365 433 TRP B NE1 7605 C CE2 . TRP B 435 ? 0.5447 0.5345 0.5067 -0.1382 0.0061 0.0380 433 TRP B CE2 7606 C CE3 . TRP B 435 ? 0.5884 0.5098 0.5003 -0.1285 0.0125 0.0432 433 TRP B CE3 7607 C CZ2 . TRP B 435 ? 0.4646 0.4608 0.4337 -0.1170 -0.0006 0.0377 433 TRP B CZ2 7608 C CZ3 . TRP B 435 ? 0.5847 0.5150 0.5044 -0.1087 0.0053 0.0419 433 TRP B CZ3 7609 C CH2 . TRP B 435 ? 0.4434 0.4092 0.3911 -0.1033 -0.0006 0.0391 433 TRP B CH2 7610 N N . MET B 436 ? 0.6779 0.5263 0.5557 -0.1515 0.0030 0.0377 434 MET B N 7611 C CA . MET B 436 ? 0.5877 0.4206 0.4590 -0.1295 -0.0059 0.0383 434 MET B CA 7612 C C . MET B 436 ? 0.6295 0.4138 0.4735 -0.1258 -0.0068 0.0412 434 MET B C 7613 O O . MET B 436 ? 0.5469 0.3168 0.3828 -0.1082 -0.0132 0.0440 434 MET B O 7614 C CB . MET B 436 ? 0.4933 0.3504 0.3854 -0.1219 -0.0162 0.0325 434 MET B CB 7615 C CG . MET B 436 ? 0.5032 0.4051 0.4208 -0.1177 -0.0166 0.0325 434 MET B CG 7616 S SD . MET B 436 ? 0.5909 0.5230 0.5322 -0.1084 -0.0285 0.0281 434 MET B SD 7617 C CE . MET B 436 ? 0.4330 0.3422 0.3627 -0.0862 -0.0357 0.0294 434 MET B CE 7618 N N . GLY B 437 ? 0.5983 0.3685 0.4342 -0.1360 -0.0005 0.0390 435 GLY B N 7619 C CA . GLY B 437 ? 0.6140 0.3496 0.4308 -0.1263 0.0003 0.0410 435 GLY B CA 7620 C C . GLY B 437 ? 0.6770 0.4008 0.4951 -0.1103 -0.0077 0.0376 435 GLY B C 7621 O O . GLY B 437 ? 0.7438 0.4787 0.5735 -0.1127 -0.0113 0.0306 435 GLY B O 7622 N N . VAL B 438 ? 0.6570 0.3616 0.4642 -0.0941 -0.0101 0.0427 436 VAL B N 7623 C CA . VAL B 438 ? 0.6340 0.3299 0.4442 -0.0780 -0.0161 0.0408 436 VAL B CA 7624 C C . VAL B 438 ? 0.7324 0.4473 0.5535 -0.0642 -0.0255 0.0419 436 VAL B C 7625 O O . VAL B 438 ? 0.7087 0.4225 0.5253 -0.0520 -0.0293 0.0476 436 VAL B O 7626 C CB . VAL B 438 ? 0.6916 0.3612 0.4880 -0.0680 -0.0140 0.0467 436 VAL B CB 7627 C CG1 . VAL B 438 ? 0.7208 0.3840 0.5238 -0.0524 -0.0182 0.0448 436 VAL B CG1 7628 C CG2 . VAL B 438 ? 0.5821 0.2306 0.3649 -0.0827 -0.0044 0.0470 436 VAL B CG2 7629 N N . MET B 439 ? 0.6766 0.4101 0.5120 -0.0673 -0.0298 0.0361 437 MET B N 7630 C CA . MET B 439 ? 0.6173 0.3715 0.4640 -0.0585 -0.0384 0.0367 437 MET B CA 7631 C C . MET B 439 ? 0.6154 0.3723 0.4678 -0.0398 -0.0458 0.0369 437 MET B C 7632 O O . MET B 439 ? 0.5885 0.3344 0.4410 -0.0337 -0.0448 0.0350 437 MET B O 7633 C CB . MET B 439 ? 0.6091 0.3834 0.4704 -0.0692 -0.0410 0.0310 437 MET B CB 7634 C CG . MET B 439 ? 0.6075 0.3974 0.4729 -0.0865 -0.0347 0.0311 437 MET B CG 7635 S SD . MET B 439 ? 0.6747 0.5049 0.5654 -0.0949 -0.0382 0.0234 437 MET B SD 7636 C CE . MET B 439 ? 0.3660 0.2118 0.2689 -0.0742 -0.0487 0.0234 437 MET B CE 7637 N N . HIS B 440 ? 0.5898 0.3631 0.4480 -0.0318 -0.0524 0.0390 438 HIS B N 7638 C CA . HIS B 440 ? 0.5678 0.3537 0.4368 -0.0177 -0.0596 0.0378 438 HIS B CA 7639 C C . HIS B 440 ? 0.5943 0.3829 0.4737 -0.0170 -0.0612 0.0322 438 HIS B C 7640 O O . HIS B 440 ? 0.5268 0.3228 0.4121 -0.0259 -0.0624 0.0284 438 HIS B O 7641 C CB . HIS B 440 ? 0.4733 0.2803 0.3500 -0.0148 -0.0653 0.0375 438 HIS B CB 7642 C CG . HIS B 440 ? 0.4416 0.2641 0.3293 -0.0037 -0.0709 0.0357 438 HIS B CG 7643 N ND1 . HIS B 440 ? 0.5921 0.4117 0.4761 0.0036 -0.0715 0.0389 438 HIS B ND1 7644 C CD2 . HIS B 440 ? 0.4510 0.2929 0.3538 -0.0006 -0.0754 0.0315 438 HIS B CD2 7645 C CE1 . HIS B 440 ? 0.4866 0.3236 0.3836 0.0098 -0.0757 0.0367 438 HIS B CE1 7646 N NE2 . HIS B 440 ? 0.5143 0.3644 0.4224 0.0070 -0.0773 0.0317 438 HIS B NE2 7647 N N . GLY B 441 ? 0.5978 0.3807 0.4795 -0.0071 -0.0610 0.0319 439 GLY B N 7648 C CA . GLY B 441 ? 0.5222 0.3066 0.4122 -0.0052 -0.0617 0.0264 439 GLY B CA 7649 C C . GLY B 441 ? 0.6012 0.3628 0.4828 -0.0115 -0.0536 0.0221 439 GLY B C 7650 O O . GLY B 441 ? 0.6038 0.3616 0.4893 -0.0076 -0.0523 0.0173 439 GLY B O 7651 N N . TYR B 442 ? 0.5799 0.3261 0.4493 -0.0221 -0.0472 0.0231 440 TYR B N 7652 C CA . TYR B 442 ? 0.6301 0.3572 0.4916 -0.0317 -0.0389 0.0172 440 TYR B CA 7653 C C . TYR B 442 ? 0.6940 0.3948 0.5468 -0.0236 -0.0324 0.0198 440 TYR B C 7654 O O . TYR B 442 ? 0.8260 0.5068 0.6684 -0.0330 -0.0247 0.0164 440 TYR B O 7655 C CB . TYR B 442 ? 0.6243 0.3545 0.4811 -0.0515 -0.0354 0.0146 440 TYR B CB 7656 C CG . TYR B 442 ? 0.6581 0.4145 0.5269 -0.0597 -0.0411 0.0099 440 TYR B CG 7657 C CD1 . TYR B 442 ? 0.6010 0.3775 0.4783 -0.0583 -0.0480 0.0145 440 TYR B CD1 7658 C CD2 . TYR B 442 ? 0.5674 0.3293 0.4391 -0.0681 -0.0398 0.0011 440 TYR B CD2 7659 C CE1 . TYR B 442 ? 0.5465 0.3482 0.4370 -0.0648 -0.0539 0.0112 440 TYR B CE1 7660 C CE2 . TYR B 442 ? 0.5035 0.2939 0.3875 -0.0752 -0.0458 -0.0023 440 TYR B CE2 7661 C CZ . TYR B 442 ? 0.6031 0.4140 0.4977 -0.0730 -0.0531 0.0031 440 TYR B CZ 7662 O OH . TYR B 442 ? 0.5366 0.3789 0.4458 -0.0777 -0.0592 0.0010 440 TYR B OH 7663 N N . GLU B 443 ? 0.6154 0.3183 0.4737 -0.0067 -0.0360 0.0259 441 GLU B N 7664 C CA . GLU B 443 ? 0.6426 0.3246 0.4983 0.0042 -0.0311 0.0286 441 GLU B CA 7665 C C . GLU B 443 ? 0.6361 0.3226 0.5036 0.0155 -0.0313 0.0241 441 GLU B C 7666 O O . GLU B 443 ? 0.7722 0.4407 0.6393 0.0244 -0.0259 0.0241 441 GLU B O 7667 C CB . GLU B 443 ? 0.5264 0.2094 0.3818 0.0151 -0.0346 0.0396 441 GLU B CB 7668 C CG . GLU B 443 ? 0.6412 0.3485 0.5126 0.0298 -0.0424 0.0437 441 GLU B CG 7669 C CD . GLU B 443 ? 0.7107 0.4470 0.5900 0.0257 -0.0501 0.0412 441 GLU B CD 7670 O OE1 . GLU B 443 ? 0.7053 0.4439 0.5782 0.0130 -0.0501 0.0380 441 GLU B OE1 7671 O OE2 . GLU B 443 ? 0.5828 0.3403 0.4758 0.0351 -0.0559 0.0426 441 GLU B OE2 7672 N N . ILE B 444 ? 0.6365 0.3461 0.5142 0.0152 -0.0373 0.0202 442 ILE B N 7673 C CA . ILE B 444 ? 0.6279 0.3453 0.5173 0.0263 -0.0381 0.0167 442 ILE B CA 7674 C C . ILE B 444 ? 0.6538 0.3488 0.5365 0.0235 -0.0285 0.0071 442 ILE B C 7675 O O . ILE B 444 ? 0.5985 0.2860 0.4871 0.0369 -0.0243 0.0063 442 ILE B O 7676 C CB . ILE B 444 ? 0.5808 0.3257 0.4803 0.0235 -0.0469 0.0140 442 ILE B CB 7677 C CG1 . ILE B 444 ? 0.5383 0.3067 0.4454 0.0272 -0.0556 0.0220 442 ILE B CG1 7678 C CG2 . ILE B 444 ? 0.5418 0.2929 0.4519 0.0337 -0.0468 0.0097 442 ILE B CG2 7679 C CD1 . ILE B 444 ? 0.3620 0.1576 0.2796 0.0236 -0.0643 0.0198 442 ILE B CD1 7680 N N . GLU B 445 ? 0.6012 0.2878 0.4723 0.0056 -0.0247 -0.0005 443 GLU B N 7681 C CA . GLU B 445 ? 0.6434 0.3116 0.5056 -0.0011 -0.0157 -0.0115 443 GLU B CA 7682 C C . GLU B 445 ? 0.7828 0.4203 0.6365 0.0054 -0.0069 -0.0101 443 GLU B C 7683 O O . GLU B 445 ? 0.7505 0.3707 0.5992 0.0079 0.0010 -0.0181 443 GLU B O 7684 C CB . GLU B 445 ? 0.6846 0.3579 0.5381 -0.0240 -0.0152 -0.0187 443 GLU B CB 7685 C CG . GLU B 445 ? 0.7810 0.4518 0.6281 -0.0350 -0.0155 -0.0129 443 GLU B CG 7686 C CD . GLU B 445 ? 0.9355 0.6281 0.7837 -0.0545 -0.0191 -0.0167 443 GLU B CD 7687 O OE1 . GLU B 445 ? 1.0096 0.7270 0.8685 -0.0536 -0.0274 -0.0130 443 GLU B OE1 7688 O OE2 . GLU B 445 ? 0.8931 0.5798 0.7327 -0.0705 -0.0140 -0.0231 443 GLU B OE2 7689 N N . PHE B 446 ? 0.7536 0.3841 0.6046 0.0082 -0.0083 -0.0001 444 PHE B N 7690 C CA . PHE B 446 ? 0.6885 0.2900 0.5317 0.0156 -0.0018 0.0037 444 PHE B CA 7691 C C . PHE B 446 ? 0.7264 0.3295 0.5838 0.0387 -0.0027 0.0095 444 PHE B C 7692 O O . PHE B 446 ? 0.7991 0.3787 0.6534 0.0475 0.0043 0.0079 444 PHE B O 7693 C CB . PHE B 446 ? 0.6616 0.2558 0.4955 0.0091 -0.0033 0.0128 444 PHE B CB 7694 C CG . PHE B 446 ? 0.6831 0.2689 0.5022 -0.0133 0.0007 0.0069 444 PHE B CG 7695 C CD1 . PHE B 446 ? 0.6064 0.2167 0.4289 -0.0272 -0.0038 0.0036 444 PHE B CD1 7696 C CD2 . PHE B 446 ? 0.6913 0.2453 0.4937 -0.0209 0.0091 0.0047 444 PHE B CD2 7697 C CE1 . PHE B 446 ? 0.6505 0.2582 0.4627 -0.0484 -0.0003 -0.0013 444 PHE B CE1 7698 C CE2 . PHE B 446 ? 0.6730 0.2224 0.4630 -0.0430 0.0127 -0.0007 444 PHE B CE2 7699 C CZ . PHE B 446 ? 0.7410 0.3192 0.5371 -0.0568 0.0079 -0.0035 444 PHE B CZ 7700 N N . VAL B 447 ? 0.7141 0.3461 0.5876 0.0483 -0.0115 0.0165 445 VAL B N 7701 C CA . VAL B 447 ? 0.7201 0.3631 0.6116 0.0690 -0.0138 0.0227 445 VAL B CA 7702 C C . VAL B 447 ? 0.7521 0.3939 0.6503 0.0760 -0.0078 0.0126 445 VAL B C 7703 O O . VAL B 447 ? 0.8020 0.4368 0.7095 0.0920 -0.0038 0.0142 445 VAL B O 7704 C CB . VAL B 447 ? 0.6774 0.3563 0.5835 0.0736 -0.0251 0.0313 445 VAL B CB 7705 C CG1 . VAL B 447 ? 0.6039 0.3015 0.5318 0.0923 -0.0279 0.0367 445 VAL B CG1 7706 C CG2 . VAL B 447 ? 0.6152 0.2940 0.5142 0.0699 -0.0298 0.0414 445 VAL B CG2 7707 N N . PHE B 448 ? 0.7549 0.4043 0.6483 0.0640 -0.0072 0.0022 446 PHE B N 7708 C CA . PHE B 448 ? 0.7280 0.3785 0.6251 0.0688 -0.0015 -0.0084 446 PHE B CA 7709 C C . PHE B 448 ? 0.7618 0.3806 0.6411 0.0612 0.0106 -0.0202 446 PHE B C 7710 O O . PHE B 448 ? 0.8246 0.4396 0.7024 0.0639 0.0180 -0.0308 446 PHE B O 7711 C CB . PHE B 448 ? 0.7483 0.4221 0.6470 0.0589 -0.0077 -0.0138 446 PHE B CB 7712 C CG . PHE B 448 ? 0.6942 0.3998 0.6131 0.0715 -0.0174 -0.0058 446 PHE B CG 7713 C CD1 . PHE B 448 ? 0.6297 0.3552 0.5545 0.0694 -0.0285 0.0046 446 PHE B CD1 7714 C CD2 . PHE B 448 ? 0.7415 0.4589 0.6731 0.0848 -0.0149 -0.0094 446 PHE B CD2 7715 C CE1 . PHE B 448 ? 0.5498 0.3073 0.4930 0.0783 -0.0378 0.0114 446 PHE B CE1 7716 C CE2 . PHE B 448 ? 0.6266 0.3772 0.5786 0.0947 -0.0246 -0.0019 446 PHE B CE2 7717 C CZ . PHE B 448 ? 0.5817 0.3529 0.5394 0.0902 -0.0366 0.0086 446 PHE B CZ 7718 N N . GLY B 449 ? 0.6982 0.2950 0.5626 0.0506 0.0129 -0.0186 447 GLY B N 7719 C CA . GLY B 449 ? 0.6582 0.2218 0.5045 0.0444 0.0239 -0.0276 447 GLY B CA 7720 C C . GLY B 449 ? 0.6986 0.2585 0.5289 0.0231 0.0283 -0.0416 447 GLY B C 7721 O O . GLY B 449 ? 0.7859 0.3224 0.6026 0.0203 0.0383 -0.0515 447 GLY B O 7722 N N . LEU B 450 ? 0.6621 0.2462 0.4940 0.0080 0.0206 -0.0421 448 LEU B N 7723 C CA . LEU B 450 ? 0.7219 0.3100 0.5412 -0.0140 0.0223 -0.0537 448 LEU B CA 7724 C C . LEU B 450 ? 0.7505 0.3127 0.5500 -0.0299 0.0288 -0.0580 448 LEU B C 7725 O O . LEU B 450 ? 0.7321 0.2870 0.5181 -0.0430 0.0342 -0.0693 448 LEU B O 7726 C CB . LEU B 450 ? 0.5310 0.1526 0.3585 -0.0262 0.0114 -0.0512 448 LEU B CB 7727 C CG . LEU B 450 ? 0.6244 0.2725 0.4630 -0.0222 0.0059 -0.0541 448 LEU B CG 7728 C CD1 . LEU B 450 ? 0.6365 0.2897 0.4905 0.0016 0.0033 -0.0465 448 LEU B CD1 7729 C CD2 . LEU B 450 ? 0.4749 0.1534 0.3189 -0.0373 -0.0048 -0.0517 448 LEU B CD2 7730 N N . PRO B 451 ? 0.7355 0.2841 0.5316 -0.0300 0.0281 -0.0488 449 PRO B N 7731 C CA . PRO B 451 ? 0.7714 0.2941 0.5470 -0.0465 0.0349 -0.0535 449 PRO B CA 7732 C C . PRO B 451 ? 0.8594 0.3445 0.6209 -0.0387 0.0464 -0.0597 449 PRO B C 7733 O O . PRO B 451 ? 0.9097 0.3702 0.6518 -0.0531 0.0528 -0.0646 449 PRO B O 7734 C CB . PRO B 451 ? 0.7591 0.2781 0.5347 -0.0481 0.0314 -0.0415 449 PRO B CB 7735 C CG . PRO B 451 ? 0.6151 0.1690 0.4099 -0.0421 0.0209 -0.0336 449 PRO B CG 7736 C CD . PRO B 451 ? 0.6796 0.2408 0.4869 -0.0231 0.0203 -0.0352 449 PRO B CD 7737 N N . LEU B 452 ? 0.8624 0.3436 0.6333 -0.0169 0.0495 -0.0599 450 LEU B N 7738 C CA . LEU B 452 ? 0.9316 0.3789 0.6902 -0.0081 0.0616 -0.0673 450 LEU B CA 7739 C C . LEU B 452 ? 0.9602 0.4037 0.7033 -0.0233 0.0683 -0.0833 450 LEU B C 7740 O O . LEU B 452 ? 0.9933 0.4044 0.7191 -0.0230 0.0795 -0.0916 450 LEU B O 7741 C CB . LEU B 452 ? 0.9115 0.3616 0.6880 0.0204 0.0630 -0.0628 450 LEU B CB 7742 C CG . LEU B 452 ? 0.9647 0.4215 0.7578 0.0371 0.0555 -0.0463 450 LEU B CG 7743 C CD1 . LEU B 452 ? 0.8957 0.3512 0.7049 0.0648 0.0586 -0.0424 450 LEU B CD1 7744 C CD2 . LEU B 452 ? 1.1144 0.5430 0.8920 0.0296 0.0570 -0.0398 450 LEU B CD2 7745 N N . GLU B 453 ? 0.8821 0.3587 0.6308 -0.0363 0.0612 -0.0872 451 GLU B N 7746 C CA . GLU B 453 ? 0.8712 0.3520 0.6066 -0.0523 0.0650 -0.1008 451 GLU B CA 7747 C C . GLU B 453 ? 0.9371 0.4078 0.6531 -0.0785 0.0655 -0.1047 451 GLU B C 7748 O O . GLU B 453 ? 0.9310 0.4249 0.6527 -0.0927 0.0564 -0.0993 451 GLU B O 7749 C CB . GLU B 453 ? 0.8439 0.3663 0.5941 -0.0553 0.0558 -0.1014 451 GLU B CB 7750 C CG . GLU B 453 ? 0.8984 0.4327 0.6355 -0.0749 0.0566 -0.1132 451 GLU B CG 7751 C CD . GLU B 453 ? 1.0474 0.5586 0.7698 -0.0688 0.0695 -0.1252 451 GLU B CD 7752 O OE1 . GLU B 453 ? 1.1924 0.7162 0.9239 -0.0554 0.0716 -0.1281 451 GLU B OE1 7753 O OE2 . GLU B 453 ? 0.9757 0.4559 0.6768 -0.0777 0.0783 -0.1321 451 GLU B OE2 7754 N N . ARG B 454 ? 0.9915 0.4278 0.6847 -0.0848 0.0765 -0.1140 452 ARG B N 7755 C CA . ARG B 454 ? 1.0956 0.5165 0.7694 -0.1085 0.0781 -0.1164 452 ARG B CA 7756 C C . ARG B 454 ? 1.0971 0.5469 0.7660 -0.1336 0.0720 -0.1229 452 ARG B C 7757 O O . ARG B 454 ? 1.0476 0.4936 0.7036 -0.1553 0.0714 -0.1245 452 ARG B O 7758 C CB . ARG B 454 ? 1.1967 0.5677 0.8459 -0.1075 0.0920 -0.1235 452 ARG B CB 7759 C CG . ARG B 454 ? 1.2348 0.5777 0.8892 -0.0840 0.0966 -0.1145 452 ARG B CG 7760 C CD . ARG B 454 ? 1.2683 0.5661 0.8985 -0.0928 0.1053 -0.1153 452 ARG B CD 7761 N NE . ARG B 454 ? 1.2989 0.5688 0.9334 -0.0689 0.1098 -0.1062 452 ARG B NE 7762 C CZ . ARG B 454 ? 1.2251 0.4581 0.8491 -0.0534 0.1216 -0.1109 452 ARG B CZ 7763 N NH1 . ARG B 454 ? 1.1830 0.4000 0.7895 -0.0600 0.1314 -0.1257 452 ARG B NH1 7764 N NH2 . ARG B 454 ? 1.1162 0.3284 0.7470 -0.0311 0.1238 -0.1005 452 ARG B NH2 7765 N N . ARG B 455 ? 1.0875 0.5681 0.7678 -0.1304 0.0670 -0.1258 453 ARG B N 7766 C CA . ARG B 455 ? 1.0154 0.5296 0.6952 -0.1516 0.0590 -0.1292 453 ARG B CA 7767 C C . ARG B 455 ? 0.9800 0.5373 0.6844 -0.1524 0.0451 -0.1183 453 ARG B C 7768 O O . ARG B 455 ? 1.0129 0.6021 0.7209 -0.1684 0.0371 -0.1184 453 ARG B O 7769 C CB . ARG B 455 ? 0.9358 0.4562 0.6085 -0.1508 0.0625 -0.1396 453 ARG B CB 7770 C CG . ARG B 455 ? 0.9712 0.4532 0.6147 -0.1589 0.0756 -0.1522 453 ARG B CG 7771 C CD . ARG B 455 ? 1.0266 0.5095 0.6625 -0.1535 0.0818 -0.1626 453 ARG B CD 7772 N NE . ARG B 455 ? 1.0165 0.4593 0.6233 -0.1602 0.0957 -0.1750 453 ARG B NE 7773 C CZ . ARG B 455 ? 1.0812 0.5081 0.6776 -0.1499 0.1068 -0.1850 453 ARG B CZ 7774 N NH1 . ARG B 455 ? 1.0998 0.5489 0.7130 -0.1330 0.1058 -0.1838 453 ARG B NH1 7775 N NH2 . ARG B 455 ? 1.1269 0.5151 0.6953 -0.1569 0.1199 -0.1966 453 ARG B NH2 7776 N N . ASP B 456 ? 1.0907 0.6483 0.8114 -0.1352 0.0425 -0.1083 454 ASP B N 7777 C CA . ASP B 456 ? 1.1003 0.6960 0.8445 -0.1315 0.0306 -0.0986 454 ASP B CA 7778 C C . ASP B 456 ? 1.0376 0.6492 0.7869 -0.1461 0.0243 -0.0912 454 ASP B C 7779 O O . ASP B 456 ? 0.9353 0.5744 0.7033 -0.1418 0.0157 -0.0826 454 ASP B O 7780 C CB . ASP B 456 ? 1.1887 0.7781 0.9474 -0.1063 0.0306 -0.0911 454 ASP B CB 7781 C CG . ASP B 456 ? 1.2510 0.8777 1.0311 -0.0993 0.0200 -0.0853 454 ASP B CG 7782 O OD1 . ASP B 456 ? 1.2879 0.9462 1.0750 -0.1130 0.0115 -0.0834 454 ASP B OD1 7783 O OD2 . ASP B 456 ? 1.1803 0.8049 0.9706 -0.0794 0.0203 -0.0821 454 ASP B OD2 7784 N N . ASN B 457 ? 0.9985 0.5932 0.7308 -0.1638 0.0290 -0.0950 455 ASN B N 7785 C CA . ASN B 457 ? 0.9707 0.5697 0.7048 -0.1756 0.0266 -0.0880 455 ASN B CA 7786 C C . ASN B 457 ? 1.0434 0.6160 0.7793 -0.1581 0.0305 -0.0798 455 ASN B C 7787 O O . ASN B 457 ? 1.2261 0.7705 0.9556 -0.1423 0.0370 -0.0821 455 ASN B O 7788 C CB . ASN B 457 ? 1.1382 0.7853 0.8919 -0.1845 0.0152 -0.0823 455 ASN B CB 7789 C CG . ASN B 457 ? 1.2437 0.9151 0.9933 -0.2040 0.0114 -0.0888 455 ASN B CG 7790 O OD1 . ASN B 457 ? 1.3201 0.9723 1.0499 -0.2193 0.0170 -0.0960 455 ASN B OD1 7791 N ND2 . ASN B 457 ? 1.3718 1.0851 1.1395 -0.2033 0.0016 -0.0856 455 ASN B ND2 7792 N N . TYR B 458 ? 0.7862 0.3681 0.5303 -0.1603 0.0268 -0.0702 456 TYR B N 7793 C CA . TYR B 458 ? 0.7794 0.3362 0.5222 -0.1464 0.0302 -0.0610 456 TYR B CA 7794 C C . TYR B 458 ? 0.8498 0.3663 0.5700 -0.1551 0.0397 -0.0630 456 TYR B C 7795 O O . TYR B 458 ? 1.0134 0.5107 0.7173 -0.1643 0.0458 -0.0728 456 TYR B O 7796 C CB . TYR B 458 ? 0.8436 0.3887 0.5938 -0.1197 0.0308 -0.0577 456 TYR B CB 7797 C CG . TYR B 458 ? 0.8762 0.4539 0.6479 -0.1068 0.0219 -0.0531 456 TYR B CG 7798 C CD1 . TYR B 458 ? 0.8877 0.4821 0.6718 -0.1016 0.0156 -0.0423 456 TYR B CD1 7799 C CD2 . TYR B 458 ? 0.8915 0.4808 0.6694 -0.0996 0.0206 -0.0597 456 TYR B CD2 7800 C CE1 . TYR B 458 ? 0.7654 0.3866 0.5668 -0.0904 0.0077 -0.0384 456 TYR B CE1 7801 C CE2 . TYR B 458 ? 0.9035 0.5201 0.6992 -0.0888 0.0128 -0.0556 456 TYR B CE2 7802 C CZ . TYR B 458 ? 0.8577 0.4896 0.6651 -0.0842 0.0061 -0.0449 456 TYR B CZ 7803 O OH . TYR B 458 ? 0.8726 0.5294 0.6958 -0.0739 -0.0017 -0.0411 456 TYR B OH 7804 N N . THR B 459 ? 0.8822 0.3841 0.5999 -0.1523 0.0412 -0.0536 457 THR B N 7805 C CA . THR B 459 ? 0.9345 0.3946 0.6299 -0.1589 0.0504 -0.0540 457 THR B CA 7806 C C . THR B 459 ? 0.9250 0.3468 0.6127 -0.1373 0.0568 -0.0524 457 THR B C 7807 O O . THR B 459 ? 0.9122 0.3416 0.6144 -0.1151 0.0534 -0.0479 457 THR B O 7808 C CB . THR B 459 ? 0.9615 0.4200 0.6547 -0.1670 0.0503 -0.0441 457 THR B CB 7809 O OG1 . THR B 459 ? 0.9831 0.4425 0.6871 -0.1459 0.0468 -0.0324 457 THR B OG1 7810 C CG2 . THR B 459 ? 0.9568 0.4549 0.6603 -0.1872 0.0446 -0.0445 457 THR B CG2 7811 N N . LYS B 460 ? 0.9987 0.3796 0.6637 -0.1443 0.0662 -0.0558 458 LYS B N 7812 C CA . LYS B 460 ? 0.9379 0.2779 0.5933 -0.1251 0.0735 -0.0539 458 LYS B CA 7813 C C . LYS B 460 ? 0.9237 0.2628 0.5906 -0.1044 0.0695 -0.0390 458 LYS B C 7814 O O . LYS B 460 ? 0.9593 0.2918 0.6353 -0.0805 0.0694 -0.0354 458 LYS B O 7815 C CB . LYS B 460 ? 1.0052 0.3004 0.6323 -0.1398 0.0840 -0.0583 458 LYS B CB 7816 C CG . LYS B 460 ? 1.0528 0.3031 0.6687 -0.1201 0.0927 -0.0577 458 LYS B CG 7817 C CD . LYS B 460 ? 1.0601 0.3065 0.6744 -0.1140 0.0973 -0.0704 458 LYS B CD 7818 C CE . LYS B 460 ? 1.1764 0.3949 0.7925 -0.0857 0.1032 -0.0678 458 LYS B CE 7819 N NZ . LYS B 460 ? 1.1603 0.3789 0.7758 -0.0799 0.1083 -0.0808 458 LYS B NZ 7820 N N . ALA B 461 ? 0.9175 0.2638 0.5836 -0.1143 0.0665 -0.0304 459 ALA B N 7821 C CA . ALA B 461 ? 1.0648 0.4162 0.7410 -0.0979 0.0613 -0.0158 459 ALA B CA 7822 C C . ALA B 461 ? 1.0550 0.4433 0.7564 -0.0805 0.0521 -0.0125 459 ALA B C 7823 O O . ALA B 461 ? 1.1169 0.5039 0.8276 -0.0591 0.0487 -0.0028 459 ALA B O 7824 C CB . ALA B 461 ? 0.8980 0.2577 0.5692 -0.1149 0.0599 -0.0090 459 ALA B CB 7825 N N . GLU B 462 ? 0.9116 0.3334 0.6239 -0.0901 0.0476 -0.0201 460 GLU B N 7826 C CA . GLU B 462 ? 0.9078 0.3625 0.6423 -0.0751 0.0394 -0.0180 460 GLU B CA 7827 C C . GLU B 462 ? 0.9925 0.4371 0.7322 -0.0560 0.0419 -0.0224 460 GLU B C 7828 O O . GLU B 462 ? 1.0552 0.5192 0.8127 -0.0382 0.0361 -0.0178 460 GLU B O 7829 C CB . GLU B 462 ? 0.8264 0.3187 0.5706 -0.0906 0.0338 -0.0241 460 GLU B CB 7830 C CG . GLU B 462 ? 0.8175 0.3329 0.5681 -0.0987 0.0282 -0.0159 460 GLU B CG 7831 C CD . GLU B 462 ? 0.8793 0.4249 0.6351 -0.1194 0.0252 -0.0222 460 GLU B CD 7832 O OE1 . GLU B 462 ? 0.8634 0.4061 0.6120 -0.1325 0.0284 -0.0325 460 GLU B OE1 7833 O OE2 . GLU B 462 ? 1.0025 0.5756 0.7696 -0.1224 0.0195 -0.0167 460 GLU B OE2 7834 N N . GLU B 463 ? 0.9246 0.3390 0.6485 -0.0598 0.0510 -0.0314 461 GLU B N 7835 C CA . GLU B 463 ? 0.9450 0.3459 0.6724 -0.0408 0.0556 -0.0358 461 GLU B CA 7836 C C . GLU B 463 ? 1.0271 0.4063 0.7575 -0.0183 0.0566 -0.0240 461 GLU B C 7837 O O . GLU B 463 ? 0.8953 0.2841 0.6424 0.0036 0.0541 -0.0203 461 GLU B O 7838 C CB . GLU B 463 ? 0.9793 0.3530 0.6866 -0.0524 0.0659 -0.0497 461 GLU B CB 7839 C CG . GLU B 463 ? 0.9436 0.3039 0.6531 -0.0339 0.0724 -0.0563 461 GLU B CG 7840 C CD . GLU B 463 ? 1.0789 0.4028 0.7634 -0.0443 0.0846 -0.0692 461 GLU B CD 7841 O OE1 . GLU B 463 ? 0.9883 0.3112 0.6571 -0.0698 0.0859 -0.0768 461 GLU B OE1 7842 O OE2 . GLU B 463 ? 1.1934 0.4903 0.8742 -0.0268 0.0929 -0.0715 461 GLU B OE2 7843 N N . ILE B 464 ? 1.0376 0.3891 0.7524 -0.0243 0.0599 -0.0177 462 ILE B N 7844 C CA . ILE B 464 ? 1.0202 0.3507 0.7361 -0.0047 0.0600 -0.0051 462 ILE B CA 7845 C C . ILE B 464 ? 0.9462 0.3095 0.6832 0.0085 0.0486 0.0081 462 ILE B C 7846 O O . ILE B 464 ? 0.9447 0.3121 0.6965 0.0312 0.0454 0.0154 462 ILE B O 7847 C CB . ILE B 464 ? 1.1443 0.4380 0.8367 -0.0165 0.0658 -0.0005 462 ILE B CB 7848 C CG1 . ILE B 464 ? 1.2230 0.4790 0.8926 -0.0279 0.0778 -0.0132 462 ILE B CG1 7849 C CG2 . ILE B 464 ? 1.0678 0.3436 0.7623 0.0037 0.0639 0.0148 462 ILE B CG2 7850 C CD1 . ILE B 464 ? 1.3365 0.5790 1.0102 -0.0093 0.0837 -0.0203 462 ILE B CD1 7851 N N . LEU B 465 ? 0.9151 0.3025 0.6535 -0.0060 0.0426 0.0111 463 LEU B N 7852 C CA . LEU B 465 ? 0.9388 0.3590 0.6950 0.0039 0.0320 0.0220 463 LEU B CA 7853 C C . LEU B 465 ? 0.9079 0.3554 0.6873 0.0217 0.0265 0.0209 463 LEU B C 7854 O O . LEU B 465 ? 0.9164 0.3731 0.7095 0.0404 0.0209 0.0314 463 LEU B O 7855 C CB . LEU B 465 ? 0.9119 0.3564 0.6666 -0.0155 0.0278 0.0216 463 LEU B CB 7856 C CG . LEU B 465 ? 0.8754 0.3524 0.6455 -0.0067 0.0175 0.0315 463 LEU B CG 7857 C CD1 . LEU B 465 ? 0.9133 0.3768 0.6817 0.0084 0.0151 0.0457 463 LEU B CD1 7858 C CD2 . LEU B 465 ? 0.7787 0.2748 0.5451 -0.0254 0.0152 0.0310 463 LEU B CD2 7859 N N . SER B 466 ? 0.8648 0.3261 0.6484 0.0149 0.0280 0.0086 464 SER B N 7860 C CA . SER B 466 ? 0.8941 0.3796 0.6978 0.0298 0.0243 0.0062 464 SER B CA 7861 C C . SER B 466 ? 0.9735 0.4410 0.7832 0.0517 0.0289 0.0078 464 SER B C 7862 O O . SER B 466 ? 0.9503 0.4383 0.7803 0.0699 0.0234 0.0142 464 SER B O 7863 C CB . SER B 466 ? 0.8545 0.3541 0.6575 0.0162 0.0261 -0.0079 464 SER B CB 7864 O OG . SER B 466 ? 0.8320 0.3540 0.6528 0.0298 0.0232 -0.0103 464 SER B OG 7865 N N . ARG B 467 ? 1.0062 0.4361 0.7986 0.0497 0.0391 0.0021 465 ARG B N 7866 C CA . ARG B 467 ? 1.0229 0.4308 0.8190 0.0711 0.0448 0.0037 465 ARG B CA 7867 C C . ARG B 467 ? 0.9836 0.3989 0.7952 0.0910 0.0371 0.0206 465 ARG B C 7868 O O . ARG B 467 ? 1.0319 0.4575 0.8622 0.1120 0.0357 0.0239 465 ARG B O 7869 C CB . ARG B 467 ? 1.1434 0.5042 0.9141 0.0642 0.0566 -0.0022 465 ARG B CB 7870 C CG . ARG B 467 ? 1.2044 0.5513 0.9647 0.0585 0.0671 -0.0192 465 ARG B CG 7871 C CD . ARG B 467 ? 1.2968 0.6181 1.0585 0.0805 0.0762 -0.0212 465 ARG B CD 7872 N NE . ARG B 467 ? 1.3450 0.6749 1.1097 0.0825 0.0828 -0.0355 465 ARG B NE 7873 C CZ . ARG B 467 ? 1.2985 0.6148 1.0430 0.0635 0.0909 -0.0507 465 ARG B CZ 7874 N NH1 . ARG B 467 ? 1.2314 0.5256 0.9524 0.0408 0.0933 -0.0536 465 ARG B NH1 7875 N NH2 . ARG B 467 ? 1.2252 0.5513 0.9725 0.0664 0.0967 -0.0629 465 ARG B NH2 7876 N N . SER B 468 ? 0.9182 0.3297 0.7221 0.0842 0.0321 0.0315 466 SER B N 7877 C CA . SER B 468 ? 0.9316 0.3495 0.7473 0.1010 0.0240 0.0483 466 SER B CA 7878 C C . SER B 468 ? 0.9791 0.4434 0.8183 0.1072 0.0119 0.0554 466 SER B C 7879 O O . SER B 468 ? 1.0160 0.4943 0.8738 0.1260 0.0055 0.0657 466 SER B O 7880 C CB . SER B 468 ? 0.9901 0.3828 0.7860 0.0924 0.0242 0.0580 466 SER B CB 7881 O OG . SER B 468 ? 1.0286 0.4181 0.8069 0.0678 0.0272 0.0510 466 SER B OG 7882 N N . ILE B 469 ? 0.8637 0.3520 0.7021 0.0911 0.0086 0.0503 467 ILE B N 7883 C CA . ILE B 469 ? 0.7727 0.3033 0.6308 0.0951 -0.0018 0.0552 467 ILE B CA 7884 C C . ILE B 469 ? 0.8563 0.4044 0.7364 0.1114 -0.0023 0.0517 467 ILE B C 7885 O O . ILE B 469 ? 0.8523 0.4222 0.7523 0.1267 -0.0098 0.0618 467 ILE B O 7886 C CB . ILE B 469 ? 0.8735 0.4229 0.7257 0.0755 -0.0037 0.0477 467 ILE B CB 7887 C CG1 . ILE B 469 ? 0.9037 0.4410 0.7371 0.0609 -0.0039 0.0526 467 ILE B CG1 7888 C CG2 . ILE B 469 ? 0.6828 0.2737 0.5544 0.0803 -0.0131 0.0506 467 ILE B CG2 7889 C CD1 . ILE B 469 ? 0.8439 0.3912 0.6687 0.0401 -0.0030 0.0438 467 ILE B CD1 7890 N N . VAL B 470 ? 0.8141 0.3524 0.6898 0.1074 0.0062 0.0374 468 VAL B N 7891 C CA . VAL B 470 ? 0.7793 0.3288 0.6722 0.1222 0.0089 0.0319 468 VAL B CA 7892 C C . VAL B 470 ? 0.9216 0.4620 0.8270 0.1449 0.0092 0.0405 468 VAL B C 7893 O O . VAL B 470 ? 0.9986 0.5648 0.9277 0.1605 0.0050 0.0439 468 VAL B O 7894 C CB . VAL B 470 ? 0.8008 0.3314 0.6794 0.1128 0.0203 0.0147 468 VAL B CB 7895 C CG1 . VAL B 470 ? 0.7354 0.2640 0.6257 0.1308 0.0274 0.0087 468 VAL B CG1 7896 C CG2 . VAL B 470 ? 0.6480 0.2012 0.5242 0.0952 0.0171 0.0069 468 VAL B CG2 7897 N N . LYS B 471 ? 0.9893 0.4941 0.8791 0.1465 0.0135 0.0450 469 LYS B N 7898 C CA . LYS B 471 ? 0.8576 0.3499 0.7573 0.1684 0.0131 0.0548 469 LYS B CA 7899 C C . LYS B 471 ? 0.8808 0.4018 0.7995 0.1780 -0.0014 0.0727 469 LYS B C 7900 O O . LYS B 471 ? 0.8768 0.4170 0.8192 0.1968 -0.0064 0.0789 469 LYS B O 7901 C CB . LYS B 471 ? 0.9921 0.4347 0.8667 0.1661 0.0222 0.0547 469 LYS B CB 7902 C CG . LYS B 471 ? 1.0654 0.4890 0.9473 0.1893 0.0226 0.0651 469 LYS B CG 7903 C CD . LYS B 471 ? 1.0461 0.4709 0.9426 0.2077 0.0302 0.0565 469 LYS B CD 7904 C CE . LYS B 471 ? 1.0364 0.4217 0.9092 0.2007 0.0470 0.0401 469 LYS B CE 7905 N NZ . LYS B 471 ? 1.0810 0.4708 0.9678 0.2185 0.0557 0.0308 469 LYS B NZ 7906 N N . ARG B 472 ? 0.8394 0.3648 0.7477 0.1647 -0.0079 0.0806 470 ARG B N 7907 C CA . ARG B 472 ? 0.8055 0.3597 0.7287 0.1707 -0.0214 0.0969 470 ARG B CA 7908 C C . ARG B 472 ? 0.7678 0.3698 0.7169 0.1741 -0.0296 0.0968 470 ARG B C 7909 O O . ARG B 472 ? 0.7703 0.3960 0.7407 0.1873 -0.0393 0.1083 470 ARG B O 7910 C CB . ARG B 472 ? 0.8785 0.4283 0.7820 0.1544 -0.0248 0.1032 470 ARG B CB 7911 C CG . ARG B 472 ? 1.0482 0.5526 0.9255 0.1491 -0.0174 0.1049 470 ARG B CG 7912 C CD . ARG B 472 ? 1.0903 0.5943 0.9490 0.1328 -0.0205 0.1107 470 ARG B CD 7913 N NE . ARG B 472 ? 1.0559 0.5172 0.8894 0.1270 -0.0137 0.1138 470 ARG B NE 7914 C CZ . ARG B 472 ? 0.9843 0.4257 0.8137 0.1384 -0.0163 0.1281 470 ARG B CZ 7915 N NH1 . ARG B 472 ? 0.8588 0.3213 0.7090 0.1561 -0.0265 0.1406 470 ARG B NH1 7916 N NH2 . ARG B 472 ? 1.0153 0.4159 0.8199 0.1316 -0.0092 0.1303 470 ARG B NH2 7917 N N . TRP B 473 ? 0.6605 0.2766 0.6075 0.1615 -0.0264 0.0847 471 TRP B N 7918 C CA . TRP B 473 ? 0.6994 0.3585 0.6686 0.1634 -0.0331 0.0843 471 TRP B CA 7919 C C . TRP B 473 ? 0.8445 0.5148 0.8382 0.1829 -0.0331 0.0841 471 TRP B C 7920 O O . TRP B 473 ? 0.9218 0.6235 0.9386 0.1922 -0.0432 0.0941 471 TRP B O 7921 C CB . TRP B 473 ? 0.6886 0.3546 0.6492 0.1481 -0.0284 0.0704 471 TRP B CB 7922 C CG . TRP B 473 ? 0.6881 0.3716 0.6395 0.1324 -0.0344 0.0725 471 TRP B CG 7923 C CD1 . TRP B 473 ? 0.6673 0.3818 0.6258 0.1260 -0.0389 0.0688 471 TRP B CD1 7924 C CD2 . TRP B 473 ? 0.7082 0.3782 0.6400 0.1216 -0.0361 0.0777 471 TRP B CD2 7925 N NE1 . TRP B 473 ? 0.6588 0.3793 0.6035 0.1126 -0.0433 0.0707 471 TRP B NE1 7926 C CE2 . TRP B 473 ? 0.6942 0.3886 0.6229 0.1096 -0.0414 0.0759 471 TRP B CE2 7927 C CE3 . TRP B 473 ? 0.7137 0.3525 0.6294 0.1209 -0.0333 0.0835 471 TRP B CE3 7928 C CZ2 . TRP B 473 ? 0.6553 0.3450 0.5664 0.0979 -0.0438 0.0790 471 TRP B CZ2 7929 C CZ3 . TRP B 473 ? 0.7681 0.4028 0.6661 0.1083 -0.0356 0.0875 471 TRP B CZ3 7930 C CH2 . TRP B 473 ? 0.7298 0.3902 0.6260 0.0973 -0.0406 0.0849 471 TRP B CH2 7931 N N . ALA B 474 ? 0.8665 0.5112 0.8542 0.1887 -0.0213 0.0724 472 ALA B N 7932 C CA . ALA B 474 ? 0.8522 0.5032 0.8602 0.2090 -0.0182 0.0702 472 ALA B CA 7933 C C . ALA B 474 ? 0.8099 0.4618 0.8322 0.2269 -0.0264 0.0853 472 ALA B C 7934 O O . ALA B 474 ? 0.8555 0.5378 0.9045 0.2410 -0.0335 0.0903 472 ALA B O 7935 C CB . ALA B 474 ? 0.8857 0.5014 0.8778 0.2112 -0.0018 0.0552 472 ALA B CB 7936 N N . ASN B 475 ? 0.7344 0.3535 0.7386 0.2261 -0.0259 0.0927 473 ASN B N 7937 C CA . ASN B 475 ? 0.8979 0.5149 0.9134 0.2432 -0.0343 0.1082 473 ASN B CA 7938 C C . ASN B 475 ? 0.9377 0.5946 0.9708 0.2414 -0.0521 0.1230 473 ASN B C 7939 O O . ASN B 475 ? 0.9232 0.5966 0.9769 0.2575 -0.0623 0.1337 473 ASN B O 7940 C CB . ASN B 475 ? 0.9661 0.5358 0.9561 0.2426 -0.0290 0.1133 473 ASN B CB 7941 C CG . ASN B 475 ? 0.9953 0.5246 0.9723 0.2503 -0.0123 0.1010 473 ASN B CG 7942 O OD1 . ASN B 475 ? 0.9578 0.4957 0.9497 0.2635 -0.0061 0.0925 473 ASN B OD1 7943 N ND2 . ASN B 475 ? 0.8757 0.3612 0.8238 0.2412 -0.0043 0.0996 473 ASN B ND2 7944 N N . PHE B 476 ? 0.8980 0.5709 0.9225 0.2219 -0.0557 0.1232 474 PHE B N 7945 C CA . PHE B 476 ? 0.7853 0.4966 0.8241 0.2182 -0.0706 0.1360 474 PHE B CA 7946 C C . PHE B 476 ? 0.8104 0.5610 0.8788 0.2253 -0.0764 0.1327 474 PHE B C 7947 O O . PHE B 476 ? 0.8866 0.6661 0.9751 0.2316 -0.0906 0.1437 474 PHE B O 7948 C CB . PHE B 476 ? 0.8102 0.5299 0.8309 0.1970 -0.0702 0.1355 474 PHE B CB 7949 C CG . PHE B 476 ? 0.7435 0.5041 0.7765 0.1926 -0.0826 0.1471 474 PHE B CG 7950 C CD1 . PHE B 476 ? 0.7312 0.4936 0.7603 0.1946 -0.0922 0.1638 474 PHE B CD1 7951 C CD2 . PHE B 476 ? 0.6024 0.3993 0.6492 0.1866 -0.0843 0.1420 474 PHE B CD2 7952 C CE1 . PHE B 476 ? 0.6545 0.4555 0.6892 0.1892 -0.1017 0.1724 474 PHE B CE1 7953 C CE2 . PHE B 476 ? 0.5939 0.4283 0.6457 0.1809 -0.0933 0.1504 474 PHE B CE2 7954 C CZ . PHE B 476 ? 0.6083 0.4448 0.6536 0.1823 -0.1017 0.1652 474 PHE B CZ 7955 N N . ALA B 477 ? 0.7844 0.5362 0.8540 0.2232 -0.0659 0.1170 475 ALA B N 7956 C CA . ALA B 477 ? 0.7244 0.5129 0.8202 0.2291 -0.0695 0.1123 475 ALA B CA 7957 C C . ALA B 477 ? 0.7836 0.5749 0.8997 0.2529 -0.0725 0.1153 475 ALA B C 7958 O O . ALA B 477 ? 0.7505 0.5749 0.8896 0.2602 -0.0863 0.1228 475 ALA B O 7959 C CB . ALA B 477 ? 0.5890 0.3737 0.6782 0.2227 -0.0561 0.0952 475 ALA B CB 7960 N N . LYS B 478 ? 0.8383 0.5943 0.9445 0.2651 -0.0592 0.1091 476 LYS B N 7961 C CA . LYS B 478 ? 0.8917 0.6469 1.0153 0.2900 -0.0583 0.1119 476 LYS B CA 7962 C C . LYS B 478 ? 0.8805 0.6413 1.0130 0.2999 -0.0750 0.1303 476 LYS B C 7963 O O . LYS B 478 ? 0.8152 0.6039 0.9731 0.3164 -0.0838 0.1356 476 LYS B O 7964 C CB . LYS B 478 ? 0.9141 0.6230 1.0199 0.2992 -0.0394 0.1027 476 LYS B CB 7965 C CG . LYS B 478 ? 0.8196 0.5184 0.9139 0.2909 -0.0224 0.0838 476 LYS B CG 7966 C CD . LYS B 478 ? 0.8807 0.5391 0.9632 0.3046 -0.0043 0.0747 476 LYS B CD 7967 C CE . LYS B 478 ? 0.8969 0.5239 0.9505 0.2880 0.0112 0.0580 476 LYS B CE 7968 N NZ . LYS B 478 ? 0.9628 0.5540 0.9864 0.2707 0.0101 0.0610 476 LYS B NZ 7969 N N . TYR B 479 ? 0.8511 0.5871 0.9624 0.2899 -0.0793 0.1402 477 TYR B N 7970 C CA . TYR B 479 ? 0.9513 0.6794 1.0650 0.3021 -0.0915 0.1575 477 TYR B CA 7971 C C . TYR B 479 ? 0.9928 0.7413 1.1051 0.2889 -0.1102 0.1726 477 TYR B C 7972 O O . TYR B 479 ? 1.0108 0.7647 1.1308 0.3000 -0.1247 0.1873 477 TYR B O 7973 C CB . TYR B 479 ? 0.9191 0.5939 1.0086 0.3076 -0.0797 0.1592 477 TYR B CB 7974 C CG . TYR B 479 ? 0.9642 0.6134 1.0513 0.3199 -0.0603 0.1445 477 TYR B CG 7975 C CD1 . TYR B 479 ? 1.0535 0.7231 1.1665 0.3408 -0.0576 0.1402 477 TYR B CD1 7976 C CD2 . TYR B 479 ? 0.9534 0.5586 1.0112 0.3097 -0.0442 0.1344 477 TYR B CD2 7977 C CE1 . TYR B 479 ? 1.1544 0.8004 1.2639 0.3518 -0.0380 0.1266 477 TYR B CE1 7978 C CE2 . TYR B 479 ? 1.0480 0.6279 1.1008 0.3192 -0.0262 0.1203 477 TYR B CE2 7979 C CZ . TYR B 479 ? 1.2080 0.8079 1.2864 0.3405 -0.0226 0.1165 477 TYR B CZ 7980 O OH . TYR B 479 ? 1.3209 0.8952 1.3929 0.3498 -0.0031 0.1022 477 TYR B OH 7981 N N . GLY B 480 ? 0.9700 0.7295 1.0712 0.2659 -0.1092 0.1695 478 GLY B N 7982 C CA . GLY B 480 ? 0.9374 0.7178 1.0311 0.2506 -0.1212 0.1816 478 GLY B CA 7983 C C . GLY B 480 ? 0.9368 0.6833 1.0037 0.2444 -0.1175 0.1917 478 GLY B C 7984 O O . GLY B 480 ? 0.9235 0.6811 0.9818 0.2366 -0.1264 0.2048 478 GLY B O 7985 N N . ASN B 481 ? 0.9019 0.6067 0.9520 0.2468 -0.1028 0.1838 479 ASN B N 7986 C CA . ASN B 481 ? 0.9875 0.6549 1.0083 0.2403 -0.0968 0.1896 479 ASN B CA 7987 C C . ASN B 481 ? 0.9784 0.6171 0.9795 0.2303 -0.0789 0.1715 479 ASN B C 7988 O O . ASN B 481 ? 1.1031 0.7236 1.1078 0.2404 -0.0695 0.1608 479 ASN B O 7989 C CB . ASN B 481 ? 1.1515 0.7905 1.1723 0.2598 -0.1004 0.2013 479 ASN B CB 7990 C CG . ASN B 481 ? 1.2318 0.8370 1.2238 0.2534 -0.0986 0.2126 479 ASN B CG 7991 O OD1 . ASN B 481 ? 1.2268 0.7922 1.1953 0.2479 -0.0845 0.2047 479 ASN B OD1 7992 N ND2 . ASN B 481 ? 1.2784 0.8990 1.2713 0.2535 -0.1131 0.2313 479 ASN B ND2 7993 N N . PRO B 482 ? 0.9287 0.5636 0.9079 0.2104 -0.0739 0.1671 480 PRO B N 7994 C CA . PRO B 482 ? 0.9146 0.5227 0.8751 0.1997 -0.0589 0.1498 480 PRO B CA 7995 C C . PRO B 482 ? 0.9902 0.5475 0.9270 0.2015 -0.0501 0.1507 480 PRO B C 7996 O O . PRO B 482 ? 0.9585 0.4936 0.8696 0.1856 -0.0436 0.1467 480 PRO B O 7997 C CB . PRO B 482 ? 0.8343 0.4581 0.7805 0.1790 -0.0590 0.1460 480 PRO B CB 7998 C CG . PRO B 482 ? 0.8905 0.5281 0.8339 0.1787 -0.0699 0.1630 480 PRO B CG 7999 C CD . PRO B 482 ? 0.9618 0.6159 0.9306 0.1974 -0.0810 0.1765 480 PRO B CD 8000 N N . ASN B 483 ? 1.1327 0.6718 1.0781 0.2209 -0.0499 0.1559 481 ASN B N 8001 C CA . ASN B 483 ? 1.3131 0.8016 1.2365 0.2247 -0.0408 0.1574 481 ASN B CA 8002 C C . ASN B 483 ? 1.3386 0.7986 1.2473 0.2175 -0.0244 0.1380 481 ASN B C 8003 O O . ASN B 483 ? 1.2427 0.7201 1.1642 0.2187 -0.0203 0.1250 481 ASN B O 8004 C CB . ASN B 483 ? 1.4342 0.9119 1.3715 0.2498 -0.0458 0.1699 481 ASN B CB 8005 C CG . ASN B 483 ? 1.5919 1.0818 1.5531 0.2675 -0.0422 0.1604 481 ASN B CG 8006 O OD1 . ASN B 483 ? 1.4417 0.9696 1.4219 0.2651 -0.0453 0.1528 481 ASN B OD1 8007 N ND2 . ASN B 483 ? 1.9148 1.3712 1.8741 0.2857 -0.0345 0.1606 481 ASN B ND2 8008 N N . GLU B 484 ? 1.4535 0.8696 1.3337 0.2085 -0.0150 0.1362 482 GLU B N 8009 C CA . GLU B 484 ? 1.5744 0.9599 1.4390 0.2018 0.0004 0.1186 482 GLU B CA 8010 C C . GLU B 484 ? 1.7119 1.0526 1.5676 0.2176 0.0089 0.1209 482 GLU B C 8011 O O . GLU B 484 ? 1.7734 1.1026 1.6309 0.2311 0.0028 0.1372 482 GLU B O 8012 C CB . GLU B 484 ? 1.5810 0.9512 1.4185 0.1752 0.0065 0.1106 482 GLU B CB 8013 C CG . GLU B 484 ? 1.5642 0.9259 1.3933 0.1634 0.0182 0.0902 482 GLU B CG 8014 C CD . GLU B 484 ? 1.5694 0.9052 1.3691 0.1387 0.0258 0.0828 482 GLU B CD 8015 O OE1 . GLU B 484 ? 1.5249 0.8624 1.3143 0.1277 0.0208 0.0918 482 GLU B OE1 8016 O OE2 . GLU B 484 ? 1.6330 0.9475 1.4196 0.1296 0.0369 0.0677 482 GLU B OE2 8017 N N . THR B 485 ? 1.7881 1.1031 1.6334 0.2159 0.0232 0.1046 483 THR B N 8018 C CA . THR B 485 ? 1.8299 1.0959 1.6611 0.2279 0.0345 0.1038 483 THR B CA 8019 C C . THR B 485 ? 1.7852 1.0081 1.5819 0.2089 0.0411 0.1045 483 THR B C 8020 O O . THR B 485 ? 1.7321 0.9635 1.5217 0.1966 0.0331 0.1145 483 THR B O 8021 C CB . THR B 485 ? 1.8699 1.1257 1.7011 0.2317 0.0484 0.0847 483 THR B CB 8022 O OG1 . THR B 485 ? 1.8919 1.1336 1.6990 0.2054 0.0573 0.0692 483 THR B OG1 8023 C CG2 . THR B 485 ? 1.8212 1.1269 1.6848 0.2433 0.0424 0.0811 483 THR B CG2 8024 N N . GLN B 486 ? 1.8307 1.0078 1.6055 0.2059 0.0562 0.0934 484 GLN B N 8025 C CA . GLN B 486 ? 1.8725 1.0068 1.6131 0.1852 0.0643 0.0912 484 GLN B CA 8026 C C . GLN B 486 ? 1.9315 1.0492 1.6629 0.1877 0.0572 0.1113 484 GLN B C 8027 O O . GLN B 486 ? 1.9649 1.1082 1.6974 0.1756 0.0475 0.1194 484 GLN B O 8028 C CB . GLN B 486 ? 1.8036 0.9566 1.5336 0.1556 0.0650 0.0791 484 GLN B CB 8029 C CG . GLN B 486 ? 1.8612 0.9718 1.5582 0.1332 0.0784 0.0665 484 GLN B CG 8030 C CD . GLN B 486 ? 1.8866 0.9858 1.5795 0.1321 0.0903 0.0471 484 GLN B CD 8031 O OE1 . GLN B 486 ? 1.8931 0.9993 1.6036 0.1538 0.0921 0.0446 484 GLN B OE1 8032 N NE2 . GLN B 486 ? 1.9004 0.9835 1.5700 0.1060 0.0985 0.0332 484 GLN B NE2 8033 N N . ASN B 487 ? 1.9077 0.9813 1.6287 0.2030 0.0627 0.1193 485 ASN B N 8034 C CA . ASN B 487 ? 1.8800 0.9340 1.5923 0.2088 0.0561 0.1401 485 ASN B CA 8035 C C . ASN B 487 ? 1.8985 0.9558 1.5919 0.1836 0.0520 0.1459 485 ASN B C 8036 O O . ASN B 487 ? 1.9251 0.9813 1.6160 0.1879 0.0433 0.1645 485 ASN B O 8037 C CB . ASN B 487 ? 1.9469 0.9396 1.6395 0.2207 0.0674 0.1432 485 ASN B CB 8038 C CG . ASN B 487 ? 1.9543 0.9448 1.6680 0.2510 0.0700 0.1422 485 ASN B CG 8039 O OD1 . ASN B 487 ? 1.9033 0.9403 1.6489 0.2657 0.0604 0.1441 485 ASN B OD1 8040 N ND2 . ASN B 487 ? 2.0222 0.9583 1.7180 0.2604 0.0834 0.1391 485 ASN B ND2 8041 N N . ASN B 488 ? 1.8791 0.9408 1.5591 0.1577 0.0584 0.1301 486 ASN B N 8042 C CA . ASN B 488 ? 1.8375 0.9156 1.5061 0.1342 0.0540 0.1332 486 ASN B CA 8043 C C . ASN B 488 ? 1.8297 0.9650 1.5246 0.1397 0.0389 0.1410 486 ASN B C 8044 O O . ASN B 488 ? 1.8304 0.9739 1.5279 0.1467 0.0292 0.1588 486 ASN B O 8045 C CB . ASN B 488 ? 1.7590 0.8341 1.4117 0.1067 0.0635 0.1138 486 ASN B CB 8046 C CG . ASN B 488 ? 1.8284 0.8465 1.4517 0.0968 0.0783 0.1058 486 ASN B CG 8047 O OD1 . ASN B 488 ? 1.8884 0.8656 1.4950 0.1024 0.0815 0.1172 486 ASN B OD1 8048 N ND2 . ASN B 488 ? 1.8229 0.8373 1.4386 0.0814 0.0873 0.0865 486 ASN B ND2 8049 N N . SER B 489 ? 1.8085 0.9818 1.5213 0.1360 0.0372 0.1278 487 SER B N 8050 C CA . SER B 489 ? 1.6771 0.9053 1.4149 0.1397 0.0240 0.1325 487 SER B CA 8051 C C . SER B 489 ? 1.6770 0.9188 1.4044 0.1256 0.0172 0.1429 487 SER B C 8052 O O . SER B 489 ? 1.7457 0.9645 1.4482 0.1059 0.0241 0.1400 487 SER B O 8053 C CB . SER B 489 ? 1.5629 0.8095 1.3277 0.1675 0.0145 0.1442 487 SER B CB 8054 O OG . SER B 489 ? 1.4298 0.6720 1.1916 0.1753 0.0055 0.1648 487 SER B OG 8055 N N . THR B 490 ? 1.5867 0.8659 1.3326 0.1352 0.0042 0.1549 488 THR B N 8056 C CA . THR B 490 ? 1.4765 0.7689 1.2116 0.1241 -0.0023 0.1656 488 THR B CA 8057 C C . THR B 490 ? 1.3985 0.7287 1.1537 0.1382 -0.0172 0.1806 488 THR B C 8058 O O . THR B 490 ? 1.3542 0.7008 1.1014 0.1295 -0.0229 0.1883 488 THR B O 8059 C CB . THR B 490 ? 1.4543 0.7635 1.1801 0.0997 0.0017 0.1523 488 THR B CB 8060 O OG1 . THR B 490 ? 1.3930 0.6967 1.0984 0.0867 0.0006 0.1613 488 THR B OG1 8061 C CG2 . THR B 490 ? 1.5071 0.8657 1.2573 0.1016 -0.0058 0.1457 488 THR B CG2 8062 N N . SER B 491 ? 1.3822 0.7267 1.1629 0.1591 -0.0231 0.1841 489 SER B N 8063 C CA . SER B 491 ? 1.3555 0.7285 1.1551 0.1749 -0.0378 0.2016 489 SER B CA 8064 C C . SER B 491 ? 1.3525 0.7713 1.1588 0.1659 -0.0474 0.2045 489 SER B C 8065 O O . SER B 491 ? 1.4017 0.8186 1.1888 0.1553 -0.0495 0.2123 489 SER B O 8066 C CB . SER B 491 ? 1.4216 0.7623 1.2059 0.1832 -0.0406 0.2208 489 SER B CB 8067 O OG . SER B 491 ? 1.4727 0.8365 1.2781 0.2021 -0.0550 0.2381 489 SER B OG 8068 N N . TRP B 492 ? 1.2646 0.7236 1.0972 0.1707 -0.0530 0.1983 490 TRP B N 8069 C CA . TRP B 492 ? 1.1211 0.6225 0.9594 0.1614 -0.0602 0.1978 490 TRP B CA 8070 C C . TRP B 492 ? 1.0441 0.5738 0.8959 0.1727 -0.0750 0.2165 490 TRP B C 8071 O O . TRP B 492 ? 1.0657 0.6121 0.9435 0.1887 -0.0823 0.2221 490 TRP B O 8072 C CB . TRP B 492 ? 1.0632 0.5923 0.9212 0.1592 -0.0580 0.1814 490 TRP B CB 8073 C CG . TRP B 492 ? 0.9023 0.4672 0.7610 0.1463 -0.0616 0.1757 490 TRP B CG 8074 C CD1 . TRP B 492 ? 0.8707 0.4540 0.7201 0.1405 -0.0689 0.1846 490 TRP B CD1 8075 C CD2 . TRP B 492 ? 0.8051 0.3898 0.6724 0.1380 -0.0577 0.1593 490 TRP B CD2 8076 N NE1 . TRP B 492 ? 0.8519 0.4635 0.7033 0.1296 -0.0694 0.1737 490 TRP B NE1 8077 C CE2 . TRP B 492 ? 0.7881 0.4014 0.6511 0.1279 -0.0630 0.1588 490 TRP B CE2 8078 C CE3 . TRP B 492 ? 0.8727 0.4522 0.7488 0.1382 -0.0502 0.1447 490 TRP B CE3 8079 C CZ2 . TRP B 492 ? 0.7826 0.4190 0.6514 0.1187 -0.0616 0.1451 490 TRP B CZ2 8080 C CZ3 . TRP B 492 ? 0.7973 0.4014 0.6792 0.1284 -0.0490 0.1319 490 TRP B CZ3 8081 C CH2 . TRP B 492 ? 0.7112 0.3430 0.5899 0.1190 -0.0549 0.1326 490 TRP B CH2 8082 N N . PRO B 493 ? 1.0680 0.6039 0.9013 0.1639 -0.0795 0.2260 491 PRO B N 8083 C CA . PRO B 493 ? 0.9865 0.5480 0.8266 0.1722 -0.0935 0.2450 491 PRO B CA 8084 C C . PRO B 493 ? 0.9582 0.5692 0.8110 0.1677 -0.1009 0.2420 491 PRO B C 8085 O O . PRO B 493 ? 0.9412 0.5621 0.7868 0.1542 -0.0952 0.2266 491 PRO B O 8086 C CB . PRO B 493 ? 0.9399 0.4762 0.7464 0.1631 -0.0918 0.2544 491 PRO B CB 8087 C CG . PRO B 493 ? 1.0482 0.5712 0.8351 0.1440 -0.0797 0.2362 491 PRO B CG 8088 C CD . PRO B 493 ? 1.0950 0.6092 0.8968 0.1454 -0.0711 0.2199 491 PRO B CD 8089 N N . VAL B 494 ? 0.9446 0.5851 0.8148 0.1787 -0.1140 0.2574 492 VAL B N 8090 C CA . VAL B 494 ? 0.8498 0.5381 0.7311 0.1760 -0.1218 0.2574 492 VAL B CA 8091 C C . VAL B 494 ? 1.0973 0.7921 0.9485 0.1606 -0.1205 0.2526 492 VAL B C 8092 O O . VAL B 494 ? 1.0793 0.7490 0.9029 0.1553 -0.1191 0.2590 492 VAL B O 8093 C CB . VAL B 494 ? 0.9694 0.6851 0.8723 0.1904 -0.1369 0.2773 492 VAL B CB 8094 C CG1 . VAL B 494 ? 1.0268 0.7634 0.9097 0.1863 -0.1448 0.2891 492 VAL B CG1 8095 C CG2 . VAL B 494 ? 0.8685 0.6205 0.8059 0.1959 -0.1413 0.2698 492 VAL B CG2 8096 N N . PHE B 495 ? 1.1061 0.8319 0.9615 0.1533 -0.1213 0.2405 493 PHE B N 8097 C CA . PHE B 495 ? 1.0806 0.8113 0.9089 0.1389 -0.1215 0.2329 493 PHE B CA 8098 C C . PHE B 495 ? 1.0459 0.8041 0.8673 0.1428 -0.1336 0.2458 493 PHE B C 8099 O O . PHE B 495 ? 1.0171 0.8111 0.8580 0.1502 -0.1407 0.2486 493 PHE B O 8100 C CB . PHE B 495 ? 0.9920 0.7380 0.8259 0.1283 -0.1168 0.2118 493 PHE B CB 8101 C CG . PHE B 495 ? 0.8578 0.6016 0.6654 0.1123 -0.1162 0.2015 493 PHE B CG 8102 C CD1 . PHE B 495 ? 0.8400 0.6098 0.6409 0.1093 -0.1250 0.2014 493 PHE B CD1 8103 C CD2 . PHE B 495 ? 0.8564 0.5718 0.6462 0.1000 -0.1066 0.1917 493 PHE B CD2 8104 C CE1 . PHE B 495 ? 0.9077 0.6725 0.6854 0.0947 -0.1244 0.1915 493 PHE B CE1 8105 C CE2 . PHE B 495 ? 0.8083 0.5220 0.5765 0.0859 -0.1057 0.1831 493 PHE B CE2 8106 C CZ . PHE B 495 ? 0.8423 0.5795 0.6048 0.0834 -0.1144 0.1829 493 PHE B CZ 8107 N N . LYS B 496 ? 1.1134 0.8555 0.9050 0.1373 -0.1357 0.2533 494 LYS B N 8108 C CA . LYS B 496 ? 1.1309 0.8960 0.9103 0.1406 -0.1475 0.2654 494 LYS B CA 8109 C C . LYS B 496 ? 1.0653 0.8254 0.8117 0.1245 -0.1479 0.2555 494 LYS B C 8110 O O . LYS B 496 ? 1.0157 0.7455 0.7420 0.1131 -0.1394 0.2489 494 LYS B O 8111 C CB . LYS B 496 ? 1.1278 0.8814 0.9040 0.1531 -0.1530 0.2900 494 LYS B CB 8112 C CG . LYS B 496 ? 1.0897 0.8805 0.8885 0.1689 -0.1647 0.3049 494 LYS B CG 8113 C CD . LYS B 496 ? 1.0496 0.8574 0.8884 0.1764 -0.1624 0.2980 494 LYS B CD 8114 C CE . LYS B 496 ? 1.1648 1.0180 1.0247 0.1877 -0.1727 0.3053 494 LYS B CE 8115 N NZ . LYS B 496 ? 1.1759 1.0474 1.0758 0.1932 -0.1705 0.2988 494 LYS B NZ 8116 N N . SER B 497 ? 1.0636 0.8531 0.8044 0.1233 -0.1579 0.2542 495 SER B N 8117 C CA . SER B 497 ? 1.1597 0.9466 0.8727 0.1073 -0.1593 0.2425 495 SER B CA 8118 C C . SER B 497 ? 1.2188 0.9737 0.8975 0.0994 -0.1558 0.2492 495 SER B C 8119 O O . SER B 497 ? 1.2704 1.0122 0.9277 0.0843 -0.1510 0.2374 495 SER B O 8120 C CB . SER B 497 ? 1.2374 1.0576 0.9467 0.1090 -0.1727 0.2434 495 SER B CB 8121 O OG . SER B 497 ? 1.2817 1.1293 1.0163 0.1101 -0.1744 0.2312 495 SER B OG 8122 N N . THR B 498 ? 1.2204 0.9627 0.8942 0.1097 -0.1578 0.2690 496 THR B N 8123 C CA . THR B 498 ? 1.2547 0.9662 0.8951 0.1030 -0.1546 0.2777 496 THR B CA 8124 C C . THR B 498 ? 1.1995 0.8749 0.8355 0.0950 -0.1400 0.2708 496 THR B C 8125 O O . THR B 498 ? 1.2899 0.9499 0.9048 0.0797 -0.1325 0.2593 496 THR B O 8126 C CB . THR B 498 ? 1.2727 0.9834 0.9085 0.1173 -0.1629 0.3033 496 THR B CB 8127 O OG1 . THR B 498 ? 1.2427 0.9813 0.9130 0.1345 -0.1696 0.3115 496 THR B OG1 8128 C CG2 . THR B 498 ? 1.2083 0.9287 0.8126 0.1135 -0.1730 0.3104 496 THR B CG2 8129 N N . GLU B 499 ? 1.0859 0.7479 0.7417 0.1051 -0.1358 0.2777 497 GLU B N 8130 C CA . GLU B 499 ? 1.1282 0.7534 0.7775 0.0980 -0.1225 0.2723 497 GLU B CA 8131 C C . GLU B 499 ? 1.0493 0.6770 0.7138 0.0896 -0.1135 0.2503 497 GLU B C 8132 O O . GLU B 499 ? 1.0500 0.6541 0.7002 0.0770 -0.1026 0.2408 497 GLU B O 8133 C CB . GLU B 499 ? 1.2647 0.8696 0.9267 0.1115 -0.1216 0.2875 497 GLU B CB 8134 C CG . GLU B 499 ? 1.4479 1.0444 1.0938 0.1199 -0.1295 0.3115 497 GLU B CG 8135 C CD . GLU B 499 ? 1.5384 1.1255 1.2072 0.1372 -0.1325 0.3270 497 GLU B CD 8136 O OE1 . GLU B 499 ? 1.5676 1.1687 1.2688 0.1448 -0.1322 0.3197 497 GLU B OE1 8137 O OE2 . GLU B 499 ? 1.5328 1.0974 1.1872 0.1429 -0.1350 0.3463 497 GLU B OE2 8138 N N . GLN B 500 ? 0.9447 0.6018 0.6379 0.0964 -0.1180 0.2432 498 GLN B N 8139 C CA . GLN B 500 ? 1.0103 0.6732 0.7188 0.0894 -0.1108 0.2233 498 GLN B CA 8140 C C . GLN B 500 ? 1.1128 0.7454 0.8248 0.0874 -0.0991 0.2186 498 GLN B C 8141 O O . GLN B 500 ? 1.0918 0.7121 0.7948 0.0743 -0.0900 0.2053 498 GLN B O 8142 C CB . GLN B 500 ? 0.9389 0.6067 0.6293 0.0734 -0.1086 0.2094 498 GLN B CB 8143 C CG . GLN B 500 ? 0.9760 0.6683 0.6570 0.0726 -0.1195 0.2116 498 GLN B CG 8144 C CD . GLN B 500 ? 1.0882 0.7863 0.7582 0.0580 -0.1168 0.1951 498 GLN B CD 8145 O OE1 . GLN B 500 ? 1.1043 0.7953 0.7799 0.0504 -0.1078 0.1820 498 GLN B OE1 8146 N NE2 . GLN B 500 ? 1.1142 0.8251 0.7680 0.0541 -0.1247 0.1959 498 GLN B NE2 8147 N N . LYS B 501 ? 1.1600 0.7799 0.8844 0.1001 -0.0994 0.2299 499 LYS B N 8148 C CA . LYS B 501 ? 1.0823 0.6719 0.8099 0.0989 -0.0887 0.2245 499 LYS B CA 8149 C C . LYS B 501 ? 0.9222 0.5254 0.6719 0.0968 -0.0840 0.2068 499 LYS B C 8150 O O . LYS B 501 ? 0.8819 0.5156 0.6550 0.1047 -0.0902 0.2047 499 LYS B O 8151 C CB . LYS B 501 ? 1.0706 0.6427 0.8080 0.1145 -0.0910 0.2402 499 LYS B CB 8152 C CG . LYS B 501 ? 1.0914 0.6354 0.8032 0.1150 -0.0918 0.2574 499 LYS B CG 8153 C CD . LYS B 501 ? 1.0355 0.5576 0.7591 0.1310 -0.0934 0.2713 499 LYS B CD 8154 C CE . LYS B 501 ? 1.1144 0.6056 0.8120 0.1320 -0.0942 0.2897 499 LYS B CE 8155 N NZ . LYS B 501 ? 1.1300 0.5968 0.8396 0.1482 -0.0959 0.3026 499 LYS B NZ 8156 N N . TYR B 502 ? 0.8264 0.4075 0.5678 0.0856 -0.0730 0.1948 500 TYR B N 8157 C CA . TYR B 502 ? 0.8146 0.4044 0.5747 0.0835 -0.0681 0.1790 500 TYR B CA 8158 C C . TYR B 502 ? 0.8849 0.4401 0.6388 0.0785 -0.0567 0.1730 500 TYR B C 8159 O O . TYR B 502 ? 0.9728 0.4984 0.7041 0.0707 -0.0509 0.1773 500 TYR B O 8160 C CB . TYR B 502 ? 0.8107 0.4227 0.5683 0.0708 -0.0679 0.1656 500 TYR B CB 8161 C CG . TYR B 502 ? 0.7439 0.3372 0.4767 0.0538 -0.0601 0.1604 500 TYR B CG 8162 C CD1 . TYR B 502 ? 0.7820 0.3701 0.4916 0.0480 -0.0620 0.1682 500 TYR B CD1 8163 C CD2 . TYR B 502 ? 0.7575 0.3397 0.4901 0.0429 -0.0507 0.1482 500 TYR B CD2 8164 C CE1 . TYR B 502 ? 0.8464 0.4187 0.5345 0.0321 -0.0537 0.1639 500 TYR B CE1 8165 C CE2 . TYR B 502 ? 0.7756 0.3440 0.4881 0.0267 -0.0431 0.1444 500 TYR B CE2 8166 C CZ . TYR B 502 ? 0.8497 0.4133 0.5406 0.0215 -0.0441 0.1523 500 TYR B CZ 8167 O OH . TYR B 502 ? 0.8758 0.4271 0.5481 0.0049 -0.0352 0.1486 500 TYR B OH 8168 N N . LEU B 503 ? 0.8862 0.4447 0.6589 0.0822 -0.0533 0.1630 501 LEU B N 8169 C CA . LEU B 503 ? 0.8942 0.4217 0.6609 0.0765 -0.0425 0.1549 501 LEU B CA 8170 C C . LEU B 503 ? 0.9273 0.4603 0.6896 0.0594 -0.0361 0.1389 501 LEU B C 8171 O O . LEU B 503 ? 0.8857 0.4483 0.6626 0.0586 -0.0396 0.1306 501 LEU B O 8172 C CB . LEU B 503 ? 1.0315 0.5564 0.8194 0.0913 -0.0421 0.1533 501 LEU B CB 8173 C CG . LEU B 503 ? 1.1202 0.6092 0.9002 0.0872 -0.0309 0.1450 501 LEU B CG 8174 C CD1 . LEU B 503 ? 1.1023 0.5525 0.8645 0.0910 -0.0279 0.1570 501 LEU B CD1 8175 C CD2 . LEU B 503 ? 1.1242 0.6193 0.9261 0.0987 -0.0297 0.1373 501 LEU B CD2 8176 N N . THR B 504 ? 0.9902 0.4951 0.7328 0.0453 -0.0268 0.1353 502 THR B N 8177 C CA . THR B 504 ? 0.9584 0.4677 0.6982 0.0283 -0.0204 0.1211 502 THR B CA 8178 C C . THR B 504 ? 1.0155 0.5130 0.7641 0.0287 -0.0144 0.1108 502 THR B C 8179 O O . THR B 504 ? 1.0852 0.5576 0.8326 0.0376 -0.0114 0.1143 502 THR B O 8180 C CB . THR B 504 ? 0.9688 0.4571 0.6841 0.0100 -0.0126 0.1217 502 THR B CB 8181 O OG1 . THR B 504 ? 1.1569 0.6069 0.8593 0.0082 -0.0051 0.1245 502 THR B OG1 8182 C CG2 . THR B 504 ? 0.8868 0.3812 0.5892 0.0093 -0.0171 0.1323 502 THR B CG2 8183 N N . LEU B 505 ? 0.9167 0.4313 0.6730 0.0192 -0.0127 0.0981 503 LEU B N 8184 C CA . LEU B 505 ? 0.8748 0.3809 0.6377 0.0174 -0.0071 0.0867 503 LEU B CA 8185 C C . LEU B 505 ? 0.8783 0.3809 0.6310 -0.0046 -0.0002 0.0764 503 LEU B C 8186 O O . LEU B 505 ? 0.7677 0.2954 0.5247 -0.0136 -0.0029 0.0724 503 LEU B O 8187 C CB . LEU B 505 ? 0.7282 0.2640 0.5144 0.0285 -0.0131 0.0816 503 LEU B CB 8188 C CG . LEU B 505 ? 0.7190 0.2641 0.5204 0.0497 -0.0199 0.0911 503 LEU B CG 8189 C CD1 . LEU B 505 ? 0.6204 0.1978 0.4443 0.0571 -0.0250 0.0850 503 LEU B CD1 8190 C CD2 . LEU B 505 ? 0.7084 0.2204 0.5065 0.0600 -0.0148 0.0949 503 LEU B CD2 8191 N N . ASN B 506 ? 0.7372 0.2087 0.4767 -0.0133 0.0085 0.0723 504 ASN B N 8192 C CA . ASN B 506 ? 0.9682 0.4349 0.6977 -0.0359 0.0155 0.0629 504 ASN B CA 8193 C C . ASN B 506 ? 1.0402 0.4722 0.7582 -0.0405 0.0243 0.0568 504 ASN B C 8194 O O . ASN B 506 ? 1.0331 0.4441 0.7510 -0.0249 0.0252 0.0603 504 ASN B O 8195 C CB . ASN B 506 ? 0.9267 0.3912 0.6416 -0.0499 0.0178 0.0691 504 ASN B CB 8196 C CG . ASN B 506 ? 1.0827 0.5140 0.7798 -0.0457 0.0210 0.0804 504 ASN B CG 8197 O OD1 . ASN B 506 ? 1.2866 0.6859 0.9693 -0.0536 0.0288 0.0785 504 ASN B OD1 8198 N ND2 . ASN B 506 ? 1.0122 0.4502 0.7091 -0.0338 0.0147 0.0922 504 ASN B ND2 8199 N N . THR B 507 ? 1.1179 0.5442 0.8264 -0.0621 0.0308 0.0476 505 THR B N 8200 C CA . THR B 507 ? 1.1734 0.5667 0.8686 -0.0688 0.0393 0.0401 505 THR B CA 8201 C C . THR B 507 ? 1.2560 0.6103 0.9284 -0.0753 0.0464 0.0469 505 THR B C 8202 O O . THR B 507 ? 1.2950 0.6144 0.9563 -0.0707 0.0523 0.0454 505 THR B O 8203 C CB . THR B 507 ? 1.1165 0.5219 0.8117 -0.0899 0.0427 0.0262 505 THR B CB 8204 O OG1 . THR B 507 ? 1.1363 0.5562 0.8273 -0.1103 0.0435 0.0272 505 THR B OG1 8205 C CG2 . THR B 507 ? 0.9870 0.4251 0.7026 -0.0826 0.0364 0.0192 505 THR B CG2 8206 N N . GLU B 508 ? 1.3341 0.6928 0.9985 -0.0860 0.0464 0.0544 506 GLU B N 8207 C CA . GLU B 508 ? 1.4023 0.7243 1.0442 -0.0928 0.0531 0.0620 506 GLU B CA 8208 C C . GLU B 508 ? 1.4632 0.7768 1.1024 -0.0745 0.0483 0.0781 506 GLU B C 8209 O O . GLU B 508 ? 1.5126 0.8358 1.1464 -0.0800 0.0468 0.0863 506 GLU B O 8210 C CB . GLU B 508 ? 1.3513 0.6774 0.9819 -0.1205 0.0587 0.0592 506 GLU B CB 8211 C CG . GLU B 508 ? 1.3309 0.6947 0.9712 -0.1264 0.0542 0.0632 506 GLU B CG 8212 C CD . GLU B 508 ? 1.2946 0.6996 0.9580 -0.1236 0.0475 0.0552 506 GLU B CD 8213 O OE1 . GLU B 508 ? 1.2890 0.6989 0.9582 -0.1303 0.0487 0.0437 506 GLU B OE1 8214 O OE2 . GLU B 508 ? 1.2783 0.7097 0.9524 -0.1148 0.0410 0.0606 506 GLU B OE2 8215 N N . SER B 509 ? 1.4824 0.7799 1.1262 -0.0528 0.0460 0.0825 507 SER B N 8216 C CA . SER B 509 ? 1.5132 0.7998 1.1549 -0.0342 0.0411 0.0986 507 SER B CA 8217 C C . SER B 509 ? 1.4218 0.7469 1.0809 -0.0207 0.0297 0.1062 507 SER B C 8218 O O . SER B 509 ? 1.3448 0.6919 1.0021 -0.0307 0.0273 0.1082 507 SER B O 8219 C CB . SER B 509 ? 1.5696 0.8236 1.1857 -0.0451 0.0469 0.1084 507 SER B CB 8220 O OG . SER B 509 ? 1.5532 0.8280 1.1641 -0.0613 0.0466 0.1101 507 SER B OG 8221 N N . THR B 510 ? 1.3623 0.6943 1.0378 0.0019 0.0232 0.1104 508 THR B N 8222 C CA . THR B 510 ? 1.3676 0.7345 1.0601 0.0159 0.0120 0.1181 508 THR B CA 8223 C C . THR B 510 ? 1.4059 0.7594 1.0897 0.0273 0.0073 0.1360 508 THR B C 8224 O O . THR B 510 ? 1.4739 0.7974 1.1530 0.0384 0.0093 0.1431 508 THR B O 8225 C CB . THR B 510 ? 1.3870 0.7722 1.1043 0.0337 0.0071 0.1138 508 THR B CB 8226 O OG1 . THR B 510 ? 1.4314 0.7898 1.1494 0.0508 0.0079 0.1214 508 THR B OG1 8227 C CG2 . THR B 510 ? 1.3597 0.7511 1.0830 0.0238 0.0126 0.0964 508 THR B CG2 8228 N N . ARG B 511 ? 1.3468 0.7221 1.0278 0.0249 0.0011 0.1435 509 ARG B N 8229 C CA . ARG B 511 ? 1.2447 0.6085 0.9143 0.0333 -0.0036 0.1611 509 ARG B CA 8230 C C . ARG B 511 ? 1.1745 0.5748 0.8573 0.0449 -0.0160 0.1692 509 ARG B C 8231 O O . ARG B 511 ? 1.1096 0.5434 0.8051 0.0419 -0.0197 0.1606 509 ARG B O 8232 C CB . ARG B 511 ? 1.2266 0.5682 0.8681 0.0147 0.0035 0.1649 509 ARG B CB 8233 C CG . ARG B 511 ? 1.1144 0.4799 0.7521 -0.0039 0.0059 0.1558 509 ARG B CG 8234 C CD . ARG B 511 ? 1.1038 0.4478 0.7145 -0.0213 0.0134 0.1614 509 ARG B CD 8235 N NE . ARG B 511 ? 1.1394 0.4804 0.7373 -0.0137 0.0076 0.1777 509 ARG B NE 8236 C CZ . ARG B 511 ? 1.2031 0.5119 0.7863 -0.0069 0.0081 0.1915 509 ARG B CZ 8237 N NH1 . ARG B 511 ? 1.2438 0.5181 0.8227 -0.0064 0.0147 0.1903 509 ARG B NH1 8238 N NH2 . ARG B 511 ? 1.2259 0.5356 0.7973 -0.0007 0.0019 0.2067 509 ARG B NH2 8239 N N . ILE B 512 ? 1.1302 0.5229 0.8088 0.0577 -0.0224 0.1861 510 ILE B N 8240 C CA . ILE B 512 ? 1.0373 0.4630 0.7259 0.0681 -0.0347 0.1956 510 ILE B CA 8241 C C . ILE B 512 ? 1.0550 0.4880 0.7224 0.0561 -0.0361 0.2003 510 ILE B C 8242 O O . ILE B 512 ? 1.1636 0.5702 0.8076 0.0511 -0.0330 0.2106 510 ILE B O 8243 C CB . ILE B 512 ? 1.0557 0.4726 0.7506 0.0878 -0.0423 0.2134 510 ILE B CB 8244 C CG1 . ILE B 512 ? 1.1017 0.5183 0.8219 0.1028 -0.0425 0.2092 510 ILE B CG1 8245 C CG2 . ILE B 512 ? 1.0304 0.4804 0.7307 0.0953 -0.0551 0.2251 510 ILE B CG2 8246 C CD1 . ILE B 512 ? 1.1674 0.5732 0.8957 0.1228 -0.0497 0.2269 510 ILE B CD1 8247 N N . MET B 513 ? 0.9942 0.4618 0.6690 0.0516 -0.0406 0.1927 511 MET B N 8248 C CA . MET B 513 ? 0.9095 0.3858 0.5646 0.0405 -0.0417 0.1949 511 MET B CA 8249 C C . MET B 513 ? 0.9256 0.4335 0.5884 0.0509 -0.0544 0.2018 511 MET B C 8250 O O . MET B 513 ? 0.9190 0.4434 0.6039 0.0659 -0.0620 0.2054 511 MET B O 8251 C CB . MET B 513 ? 0.9633 0.4507 0.6170 0.0237 -0.0347 0.1787 511 MET B CB 8252 C CG . MET B 513 ? 0.9328 0.3980 0.5846 0.0123 -0.0231 0.1690 511 MET B CG 8253 S SD . MET B 513 ? 1.4398 0.8728 1.0591 -0.0065 -0.0120 0.1740 511 MET B SD 8254 C CE . MET B 513 ? 2.0293 1.4609 1.6541 -0.0250 -0.0006 0.1564 511 MET B CE 8255 N N . THR B 514 ? 0.9173 0.4337 0.5613 0.0420 -0.0561 0.2032 512 THR B N 8256 C CA . THR B 514 ? 0.9020 0.4469 0.5482 0.0489 -0.0679 0.2087 512 THR B CA 8257 C C . THR B 514 ? 0.9540 0.5176 0.5910 0.0364 -0.0674 0.1975 512 THR B C 8258 O O . THR B 514 ? 0.9206 0.4719 0.5429 0.0217 -0.0577 0.1901 512 THR B O 8259 C CB . THR B 514 ? 1.0147 0.5469 0.6409 0.0543 -0.0734 0.2280 512 THR B CB 8260 O OG1 . THR B 514 ? 1.0959 0.6002 0.6925 0.0402 -0.0641 0.2300 512 THR B OG1 8261 C CG2 . THR B 514 ? 0.9266 0.4460 0.5660 0.0705 -0.0769 0.2417 512 THR B CG2 8262 N N . LYS B 515 ? 0.8725 0.4658 0.5182 0.0422 -0.0778 0.1967 513 LYS B N 8263 C CA . LYS B 515 ? 0.8075 0.4180 0.4442 0.0322 -0.0789 0.1867 513 LYS B CA 8264 C C . LYS B 515 ? 0.7694 0.3800 0.4106 0.0203 -0.0692 0.1706 513 LYS B C 8265 O O . LYS B 515 ? 0.8862 0.4872 0.5072 0.0075 -0.0618 0.1674 513 LYS B O 8266 C CB . LYS B 515 ? 0.8946 0.4928 0.4979 0.0242 -0.0783 0.1946 513 LYS B CB 8267 C CG . LYS B 515 ? 1.0453 0.6459 0.6384 0.0341 -0.0891 0.2115 513 LYS B CG 8268 C CD . LYS B 515 ? 1.1611 0.7621 0.7234 0.0246 -0.0908 0.2133 513 LYS B CD 8269 C CE . LYS B 515 ? 1.3111 0.9096 0.8569 0.0323 -0.1003 0.2320 513 LYS B CE 8270 N NZ . LYS B 515 ? 1.4543 1.0205 0.9839 0.0320 -0.0938 0.2455 513 LYS B NZ 8271 N N . LEU B 516 ? 0.7216 0.3438 0.3888 0.0244 -0.0688 0.1614 514 LEU B N 8272 C CA . LEU B 516 ? 0.7689 0.3941 0.4425 0.0139 -0.0607 0.1472 514 LEU B CA 8273 C C . LEU B 516 ? 0.8641 0.5037 0.5284 0.0050 -0.0607 0.1394 514 LEU B C 8274 O O . LEU B 516 ? 0.8464 0.5069 0.5172 0.0099 -0.0696 0.1372 514 LEU B O 8275 C CB . LEU B 516 ? 0.7579 0.3987 0.4610 0.0212 -0.0629 0.1391 514 LEU B CB 8276 C CG . LEU B 516 ? 0.7420 0.3905 0.4543 0.0118 -0.0568 0.1251 514 LEU B CG 8277 C CD1 . LEU B 516 ? 0.7652 0.3900 0.4654 -0.0003 -0.0449 0.1237 514 LEU B CD1 8278 C CD2 . LEU B 516 ? 0.6758 0.3410 0.4156 0.0200 -0.0603 0.1184 514 LEU B CD2 8279 N N . ARG B 517 ? 0.9124 0.5409 0.5622 -0.0083 -0.0501 0.1353 515 ARG B N 8280 C CA . ARG B 517 ? 0.8031 0.4417 0.4426 -0.0172 -0.0471 0.1283 515 ARG B CA 8281 C C . ARG B 517 ? 0.8668 0.5133 0.4917 -0.0139 -0.0556 0.1322 515 ARG B C 8282 O O . ARG B 517 ? 0.7871 0.4496 0.4146 -0.0148 -0.0589 0.1245 515 ARG B O 8283 C CB . ARG B 517 ? 0.8625 0.5207 0.5240 -0.0177 -0.0472 0.1159 515 ARG B CB 8284 C CG . ARG B 517 ? 0.9880 0.6427 0.6669 -0.0197 -0.0416 0.1114 515 ARG B CG 8285 C CD . ARG B 517 ? 0.8963 0.5652 0.5867 -0.0267 -0.0367 0.1009 515 ARG B CD 8286 N NE . ARG B 517 ? 0.9881 0.6455 0.6690 -0.0407 -0.0237 0.1006 515 ARG B NE 8287 C CZ . ARG B 517 ? 1.0899 0.7526 0.7618 -0.0508 -0.0152 0.0979 515 ARG B CZ 8288 N NH1 . ARG B 517 ? 0.9353 0.6112 0.6040 -0.0478 -0.0182 0.0945 515 ARG B NH1 8289 N NH2 . ARG B 517 ? 1.2237 0.8791 0.8901 -0.0646 -0.0025 0.0985 515 ARG B NH2 8290 N N . ALA B 518 ? 0.8673 0.5013 0.4756 -0.0107 -0.0591 0.1444 516 ALA B N 8291 C CA . ALA B 518 ? 0.9000 0.5411 0.4926 -0.0082 -0.0681 0.1494 516 ALA B CA 8292 C C . ALA B 518 ? 0.9339 0.5751 0.5040 -0.0193 -0.0624 0.1430 516 ALA B C 8293 O O . ALA B 518 ? 0.8576 0.5125 0.4243 -0.0184 -0.0697 0.1389 516 ALA B O 8294 C CB . ALA B 518 ? 0.9622 0.5878 0.5386 -0.0036 -0.0717 0.1654 516 ALA B CB 8295 N N . GLN B 519 ? 0.9653 0.5914 0.5202 -0.0303 -0.0487 0.1421 517 GLN B N 8296 C CA . GLN B 519 ? 0.9513 0.5764 0.4841 -0.0408 -0.0400 0.1367 517 GLN B CA 8297 C C . GLN B 519 ? 0.9553 0.5978 0.5032 -0.0415 -0.0386 0.1231 517 GLN B C 8298 O O . GLN B 519 ? 0.9623 0.6102 0.4967 -0.0442 -0.0387 0.1176 517 GLN B O 8299 C CB . GLN B 519 ? 1.0625 0.6702 0.5796 -0.0526 -0.0238 0.1398 517 GLN B CB 8300 C CG . GLN B 519 ? 1.2322 0.8369 0.7221 -0.0634 -0.0125 0.1371 517 GLN B CG 8301 C CD . GLN B 519 ? 1.3637 0.9798 0.8631 -0.0704 0.0005 0.1256 517 GLN B CD 8302 O OE1 . GLN B 519 ? 1.3673 0.9922 0.8926 -0.0686 0.0013 0.1204 517 GLN B OE1 8303 N NE2 . GLN B 519 ? 1.3817 0.9983 0.8598 -0.0780 0.0116 0.1219 517 GLN B NE2 8304 N N . GLN B 520 ? 0.9278 0.5779 0.5026 -0.0390 -0.0374 0.1178 518 GLN B N 8305 C CA . GLN B 520 ? 0.8672 0.5337 0.4580 -0.0385 -0.0370 0.1063 518 GLN B CA 8306 C C . GLN B 520 ? 0.8049 0.4865 0.4068 -0.0297 -0.0517 0.1030 518 GLN B C 8307 O O . GLN B 520 ? 0.7863 0.4753 0.3836 -0.0311 -0.0524 0.0955 518 GLN B O 8308 C CB . GLN B 520 ? 0.8131 0.4840 0.4286 -0.0389 -0.0323 0.1025 518 GLN B CB 8309 C CG . GLN B 520 ? 0.8616 0.5226 0.4687 -0.0507 -0.0164 0.1037 518 GLN B CG 8310 C CD . GLN B 520 ? 0.8724 0.5149 0.4717 -0.0533 -0.0140 0.1130 518 GLN B CD 8311 O OE1 . GLN B 520 ? 0.9456 0.5814 0.5436 -0.0450 -0.0239 0.1197 518 GLN B OE1 8312 N NE2 . GLN B 520 ? 0.9777 0.6123 0.5725 -0.0652 -0.0002 0.1138 518 GLN B NE2 8313 N N . CYS B 521 ? 0.8468 0.5328 0.4629 -0.0208 -0.0625 0.1088 519 CYS B N 8314 C CA . CYS B 521 ? 0.7985 0.5024 0.4288 -0.0134 -0.0756 0.1064 519 CYS B CA 8315 C C . CYS B 521 ? 0.8143 0.5187 0.4216 -0.0156 -0.0820 0.1082 519 CYS B C 8316 O O . CYS B 521 ? 0.8156 0.5341 0.4293 -0.0143 -0.0900 0.1026 519 CYS B O 8317 C CB . CYS B 521 ? 0.6634 0.3745 0.3164 -0.0029 -0.0833 0.1127 519 CYS B CB 8318 S SG . CYS B 521 ? 1.0957 0.8111 0.7780 -0.0009 -0.0774 0.1058 519 CYS B SG 8319 N N . ARG B 522 ? 0.7848 0.4734 0.3641 -0.0203 -0.0781 0.1158 520 ARG B N 8320 C CA . ARG B 522 ? 0.7283 0.4160 0.2821 -0.0237 -0.0838 0.1176 520 ARG B CA 8321 C C . ARG B 522 ? 0.9037 0.5934 0.4477 -0.0306 -0.0789 0.1048 520 ARG B C 8322 O O . ARG B 522 ? 1.0402 0.7369 0.5764 -0.0317 -0.0872 0.1013 520 ARG B O 8323 C CB . ARG B 522 ? 0.8001 0.4691 0.3239 -0.0285 -0.0785 0.1278 520 ARG B CB 8324 C CG . ARG B 522 ? 0.8780 0.5463 0.3739 -0.0317 -0.0855 0.1309 520 ARG B CG 8325 C CD . ARG B 522 ? 0.9010 0.5498 0.3653 -0.0378 -0.0781 0.1400 520 ARG B CD 8326 N NE . ARG B 522 ? 1.0241 0.6713 0.4577 -0.0430 -0.0831 0.1409 520 ARG B NE 8327 C CZ . ARG B 522 ? 1.0404 0.6761 0.4450 -0.0534 -0.0716 0.1351 520 ARG B CZ 8328 N NH1 . ARG B 522 ? 0.9730 0.6002 0.3775 -0.0591 -0.0543 0.1292 520 ARG B NH1 8329 N NH2 . ARG B 522 ? 1.1016 0.7355 0.4772 -0.0582 -0.0768 0.1355 520 ARG B NH2 8330 N N . PHE B 523 ? 0.8939 0.5775 0.4384 -0.0353 -0.0650 0.0982 521 PHE B N 8331 C CA . PHE B 523 ? 0.9402 0.6250 0.4779 -0.0398 -0.0581 0.0865 521 PHE B CA 8332 C C . PHE B 523 ? 0.8830 0.5834 0.4434 -0.0349 -0.0684 0.0788 521 PHE B C 8333 O O . PHE B 523 ? 0.8181 0.5189 0.3663 -0.0377 -0.0714 0.0722 521 PHE B O 8334 C CB . PHE B 523 ? 0.9149 0.5947 0.4547 -0.0440 -0.0409 0.0827 521 PHE B CB 8335 C CG . PHE B 523 ? 0.8875 0.5691 0.4221 -0.0464 -0.0317 0.0713 521 PHE B CG 8336 C CD1 . PHE B 523 ? 0.7969 0.4685 0.3008 -0.0525 -0.0215 0.0672 521 PHE B CD1 8337 C CD2 . PHE B 523 ? 0.8332 0.5259 0.3927 -0.0418 -0.0325 0.0646 521 PHE B CD2 8338 C CE1 . PHE B 523 ? 0.7273 0.3991 0.2258 -0.0530 -0.0112 0.0562 521 PHE B CE1 8339 C CE2 . PHE B 523 ? 0.7942 0.4869 0.3477 -0.0424 -0.0235 0.0547 521 PHE B CE2 8340 C CZ . PHE B 523 ? 0.7785 0.4604 0.3018 -0.0475 -0.0122 0.0502 521 PHE B CZ 8341 N N . TRP B 524 ? 0.8015 0.5137 0.3937 -0.0283 -0.0732 0.0794 522 TRP B N 8342 C CA . TRP B 524 ? 0.8013 0.5291 0.4176 -0.0243 -0.0805 0.0720 522 TRP B CA 8343 C C . TRP B 524 ? 0.9364 0.6760 0.5566 -0.0220 -0.0951 0.0738 522 TRP B C 8344 O O . TRP B 524 ? 1.0261 0.7744 0.6541 -0.0228 -0.1000 0.0666 522 TRP B O 8345 C CB . TRP B 524 ? 0.5914 0.3293 0.2399 -0.0186 -0.0801 0.0718 522 TRP B CB 8346 C CG . TRP B 524 ? 0.6332 0.3635 0.2808 -0.0219 -0.0666 0.0694 522 TRP B CG 8347 C CD1 . TRP B 524 ? 0.5827 0.3055 0.2314 -0.0232 -0.0595 0.0752 522 TRP B CD1 8348 C CD2 . TRP B 524 ? 0.7114 0.4411 0.3559 -0.0246 -0.0580 0.0613 522 TRP B CD2 8349 N NE1 . TRP B 524 ? 0.6710 0.3913 0.3188 -0.0279 -0.0471 0.0714 522 TRP B NE1 8350 C CE2 . TRP B 524 ? 0.7422 0.4675 0.3878 -0.0278 -0.0458 0.0633 522 TRP B CE2 8351 C CE3 . TRP B 524 ? 0.7592 0.4908 0.3994 -0.0248 -0.0588 0.0529 522 TRP B CE3 8352 C CZ2 . TRP B 524 ? 0.7541 0.4806 0.3984 -0.0301 -0.0342 0.0581 522 TRP B CZ2 8353 C CZ3 . TRP B 524 ? 0.7657 0.4949 0.4026 -0.0257 -0.0472 0.0472 522 TRP B CZ3 8354 C CH2 . TRP B 524 ? 0.7461 0.4744 0.3856 -0.0278 -0.0350 0.0502 522 TRP B CH2 8355 N N . THR B 525 ? 0.8522 0.5925 0.4668 -0.0192 -0.1018 0.0843 523 THR B N 8356 C CA . THR B 525 ? 0.8751 0.6303 0.4943 -0.0165 -0.1157 0.0880 523 THR B CA 8357 C C . THR B 525 ? 0.9168 0.6649 0.5033 -0.0239 -0.1196 0.0880 523 THR B C 8358 O O . THR B 525 ? 1.0557 0.8160 0.6431 -0.0253 -0.1301 0.0864 523 THR B O 8359 C CB . THR B 525 ? 0.9939 0.7571 0.6268 -0.0073 -0.1222 0.1006 523 THR B CB 8360 O OG1 . THR B 525 ? 1.1192 0.8645 0.7293 -0.0085 -0.1172 0.1097 523 THR B OG1 8361 C CG2 . THR B 525 ? 0.8227 0.5944 0.4885 -0.0001 -0.1190 0.0993 523 THR B CG2 8362 N N . SER B 526 ? 0.8513 0.5799 0.4080 -0.0296 -0.1107 0.0896 524 SER B N 8363 C CA . SER B 526 ? 0.8936 0.6144 0.4161 -0.0367 -0.1140 0.0908 524 SER B CA 8364 C C . SER B 526 ? 0.9595 0.6643 0.4556 -0.0460 -0.1026 0.0795 524 SER B C 8365 O O . SER B 526 ? 1.0065 0.7061 0.4761 -0.0528 -0.1057 0.0766 524 SER B O 8366 C CB . SER B 526 ? 0.9701 0.6818 0.4735 -0.0356 -0.1145 0.1043 524 SER B CB 8367 O OG . SER B 526 ? 1.0379 0.7633 0.5634 -0.0256 -0.1247 0.1155 524 SER B OG 8368 N N . PHE B 527 ? 0.9777 0.6752 0.4800 -0.0461 -0.0887 0.0730 525 PHE B N 8369 C CA . PHE B 527 ? 0.8885 0.5717 0.3662 -0.0530 -0.0756 0.0626 525 PHE B CA 8370 C C . PHE B 527 ? 0.8862 0.5728 0.3800 -0.0514 -0.0721 0.0509 525 PHE B C 8371 O O . PHE B 527 ? 0.8385 0.5187 0.3167 -0.0559 -0.0712 0.0419 525 PHE B O 8372 C CB . PHE B 527 ? 0.8639 0.5338 0.3261 -0.0557 -0.0581 0.0649 525 PHE B CB 8373 C CG . PHE B 527 ? 0.8977 0.5540 0.3310 -0.0622 -0.0428 0.0552 525 PHE B CG 8374 C CD1 . PHE B 527 ? 0.9474 0.5927 0.3458 -0.0692 -0.0419 0.0556 525 PHE B CD1 8375 C CD2 . PHE B 527 ? 0.9091 0.5642 0.3500 -0.0607 -0.0287 0.0455 525 PHE B CD2 8376 C CE1 . PHE B 527 ? 1.0678 0.7005 0.4398 -0.0746 -0.0262 0.0456 525 PHE B CE1 8377 C CE2 . PHE B 527 ? 1.0102 0.6537 0.4261 -0.0648 -0.0126 0.0361 525 PHE B CE2 8378 C CZ . PHE B 527 ? 1.0450 0.6769 0.4266 -0.0719 -0.0108 0.0356 525 PHE B CZ 8379 N N . PHE B 528 ? 0.8325 0.5276 0.3558 -0.0453 -0.0699 0.0513 526 PHE B N 8380 C CA . PHE B 528 ? 0.8183 0.5163 0.3570 -0.0429 -0.0659 0.0416 526 PHE B CA 8381 C C . PHE B 528 ? 0.9805 0.6834 0.5232 -0.0443 -0.0769 0.0351 526 PHE B C 8382 O O . PHE B 528 ? 1.0533 0.7476 0.5877 -0.0459 -0.0702 0.0253 526 PHE B O 8383 C CB . PHE B 528 ? 0.7180 0.4277 0.2897 -0.0362 -0.0655 0.0443 526 PHE B CB 8384 C CG . PHE B 528 ? 0.8580 0.5697 0.4425 -0.0333 -0.0599 0.0356 526 PHE B CG 8385 C CD1 . PHE B 528 ? 0.9246 0.6255 0.4931 -0.0342 -0.0430 0.0300 526 PHE B CD1 8386 C CD2 . PHE B 528 ? 0.8550 0.5803 0.4678 -0.0292 -0.0701 0.0336 526 PHE B CD2 8387 C CE1 . PHE B 528 ? 0.8500 0.5526 0.4290 -0.0298 -0.0375 0.0228 526 PHE B CE1 8388 C CE2 . PHE B 528 ? 0.7544 0.4804 0.3776 -0.0261 -0.0655 0.0266 526 PHE B CE2 8389 C CZ . PHE B 528 ? 0.7214 0.4353 0.3268 -0.0259 -0.0497 0.0215 526 PHE B CZ 8390 N N . PRO B 529 ? 0.9580 0.6750 0.5133 -0.0438 -0.0927 0.0407 527 PRO B N 8391 C CA . PRO B 529 ? 0.9462 0.6679 0.5029 -0.0476 -0.1019 0.0346 527 PRO B CA 8392 C C . PRO B 529 ? 1.0923 0.7969 0.6122 -0.0567 -0.0989 0.0275 527 PRO B C 8393 O O . PRO B 529 ? 1.1581 0.8651 0.6768 -0.0616 -0.1066 0.0223 527 PRO B O 8394 C CB . PRO B 529 ? 0.9494 0.6920 0.5242 -0.0452 -0.1177 0.0435 527 PRO B CB 8395 C CG . PRO B 529 ? 1.0288 0.7723 0.6043 -0.0402 -0.1162 0.0543 527 PRO B CG 8396 C CD . PRO B 529 ? 0.9948 0.7265 0.5708 -0.0381 -0.1016 0.0517 527 PRO B CD 8397 N N . LYS B 530 ? 1.1438 0.8317 0.6343 -0.0597 -0.0871 0.0267 528 LYS B N 8398 C CA . LYS B 530 ? 1.2054 0.8758 0.6592 -0.0683 -0.0822 0.0190 528 LYS B CA 8399 C C . LYS B 530 ? 1.3150 0.9670 0.7544 -0.0679 -0.0627 0.0077 528 LYS B C 8400 O O . LYS B 530 ? 1.3696 1.0057 0.7823 -0.0739 -0.0567 -0.0017 528 LYS B O 8401 C CB . LYS B 530 ? 1.1815 0.8469 0.6077 -0.0729 -0.0833 0.0264 528 LYS B CB 8402 C CG . LYS B 530 ? 1.1834 0.8667 0.6200 -0.0723 -0.1024 0.0379 528 LYS B CG 8403 C CD . LYS B 530 ? 1.2072 0.8852 0.6186 -0.0745 -0.1027 0.0476 528 LYS B CD 8404 C CE . LYS B 530 ? 1.2747 0.9720 0.6997 -0.0706 -0.1208 0.0605 528 LYS B CE 8405 N NZ . LYS B 530 ? 1.4121 1.1029 0.8108 -0.0722 -0.1218 0.0714 528 LYS B NZ 8406 N N . VAL B 531 ? 1.3362 0.9910 0.7935 -0.0604 -0.0521 0.0084 529 VAL B N 8407 C CA . VAL B 531 ? 1.4130 1.0548 0.8611 -0.0574 -0.0322 -0.0014 529 VAL B CA 8408 C C . VAL B 531 ? 1.4710 1.1105 0.9320 -0.0543 -0.0337 -0.0104 529 VAL B C 8409 O O . VAL B 531 ? 1.4343 1.0854 0.9167 -0.0544 -0.0497 -0.0077 529 VAL B O 8410 C CB . VAL B 531 ? 1.3982 1.0466 0.8608 -0.0510 -0.0197 0.0032 529 VAL B CB 8411 C CG1 . VAL B 531 ? 1.4403 1.0919 0.8957 -0.0543 -0.0207 0.0142 529 VAL B CG1 8412 C CG2 . VAL B 531 ? 1.2720 0.9354 0.7710 -0.0439 -0.0277 0.0060 529 VAL B CG2 8413 O OXT . VAL B 531 ? 1.5427 1.1691 0.9940 -0.0511 -0.0179 -0.0203 529 VAL B OXT # _database_PDB_caveat.id 1 _database_PDB_caveat.text 'NAG A 651 HAS WRONG CHIRALITY AT ATOM C1 NAG B 641 HAS WRONG CHIRALITY AT ATOM C1 NAG A 671 HAS WRONG CHIRALITY AT ATOM C1' # 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 ARG 1 -1 ? ? ? A . n A 1 2 SER 2 0 ? ? ? A . n A 1 3 GLU 3 1 ? ? ? A . n A 1 4 ASP 4 2 ? ? ? A . n A 1 5 ASP 5 3 3 ASP ASP A . n A 1 6 ILE 6 4 4 ILE ILE A . n A 1 7 ILE 7 5 5 ILE ILE A . n A 1 8 ILE 8 6 6 ILE ILE A . n A 1 9 ALA 9 7 7 ALA ALA A . n A 1 10 THR 10 8 8 THR THR A . n A 1 11 LYS 11 9 9 LYS LYS A . n A 1 12 ASN 12 10 10 ASN ASN A . n A 1 13 GLY 13 11 11 GLY GLY A . n A 1 14 LYS 14 12 12 LYS LYS A . n A 1 15 VAL 15 13 13 VAL VAL A . n A 1 16 ARG 16 14 14 ARG ARG A . n A 1 17 GLY 17 15 15 GLY GLY A . n A 1 18 MET 18 16 16 MET MET A . n A 1 19 ASN 19 17 17 ASN ASN A . n A 1 20 LEU 20 18 18 LEU LEU A . n A 1 21 THR 21 19 19 THR THR A . n A 1 22 VAL 22 20 20 VAL VAL A . n A 1 23 PHE 23 21 21 PHE PHE A . n A 1 24 GLY 24 22 22 GLY GLY A . n A 1 25 GLY 25 23 23 GLY GLY A . n A 1 26 THR 26 24 24 THR THR A . n A 1 27 VAL 27 25 25 VAL VAL A . n A 1 28 THR 28 26 26 THR THR A . n A 1 29 ALA 29 27 27 ALA ALA A . n A 1 30 PHE 30 28 28 PHE PHE A . n A 1 31 LEU 31 29 29 LEU LEU A . n A 1 32 GLY 32 30 30 GLY GLY A . n A 1 33 ILE 33 31 31 ILE ILE A . n A 1 34 PRO 34 32 32 PRO PRO A . n A 1 35 TYR 35 33 33 TYR TYR A . n A 1 36 ALA 36 34 34 ALA ALA A . n A 1 37 GLN 37 35 35 GLN GLN A . n A 1 38 PRO 38 36 36 PRO PRO A . n A 1 39 PRO 39 37 37 PRO PRO A . n A 1 40 LEU 40 38 38 LEU LEU A . n A 1 41 GLY 41 39 39 GLY GLY A . n A 1 42 ARG 42 40 40 ARG ARG A . n A 1 43 LEU 43 41 41 LEU LEU A . n A 1 44 ARG 44 42 42 ARG ARG A . n A 1 45 PHE 45 43 43 PHE PHE A . n A 1 46 LYS 46 44 44 LYS LYS A . n A 1 47 LYS 47 45 45 LYS LYS A . n A 1 48 PRO 48 46 46 PRO PRO A . n A 1 49 GLN 49 47 47 GLN GLN A . n A 1 50 SER 50 48 48 SER SER A . n A 1 51 LEU 51 49 49 LEU LEU A . n A 1 52 THR 52 50 50 THR THR A . n A 1 53 LYS 53 51 51 LYS LYS A . n A 1 54 TRP 54 52 52 TRP TRP A . n A 1 55 SER 55 53 53 SER SER A . n A 1 56 ASP 56 54 54 ASP ASP A . n A 1 57 ILE 57 55 55 ILE ILE A . n A 1 58 TRP 58 56 56 TRP TRP A . n A 1 59 ASN 59 57 57 ASN ASN A . n A 1 60 ALA 60 58 58 ALA ALA A . n A 1 61 THR 61 59 59 THR THR A . n A 1 62 LYS 62 60 60 LYS LYS A . n A 1 63 TYR 63 61 61 TYR TYR A . n A 1 64 ALA 64 62 62 ALA ALA A . n A 1 65 ASN 65 63 63 ASN ASN A . n A 1 66 SER 66 64 64 SER SER A . n A 1 67 CYS 67 65 65 CYS CYS A . n A 1 68 CYS 68 66 66 CYS CYS A . n A 1 69 GLN 69 67 67 GLN GLN A . n A 1 70 ASN 70 68 68 ASN ASN A . n A 1 71 ILE 71 69 69 ILE ILE A . n A 1 72 ASP 72 70 70 ASP ASP A . n A 1 73 GLN 73 71 71 GLN GLN A . n A 1 74 SER 74 72 72 SER SER A . n A 1 75 PHE 75 73 73 PHE PHE A . n A 1 76 PRO 76 74 74 PRO PRO A . n A 1 77 GLY 77 75 75 GLY GLY A . n A 1 78 PHE 78 76 76 PHE PHE A . n A 1 79 HIS 79 77 77 HIS HIS A . n A 1 80 GLY 80 78 78 GLY GLY A . n A 1 81 SER 81 79 79 SER SER A . n A 1 82 GLU 82 80 80 GLU GLU A . n A 1 83 MET 83 81 81 MET MET A . n A 1 84 TRP 84 82 82 TRP TRP A . n A 1 85 ASN 85 83 83 ASN ASN A . n A 1 86 PRO 86 84 84 PRO PRO A . n A 1 87 ASN 87 85 85 ASN ASN A . n A 1 88 THR 88 86 86 THR THR A . n A 1 89 ASP 89 87 87 ASP ASP A . n A 1 90 LEU 90 88 88 LEU LEU A . n A 1 91 SER 91 89 89 SER SER A . n A 1 92 GLU 92 90 90 GLU GLU A . n A 1 93 ASP 93 91 91 ASP ASP A . n A 1 94 CYS 94 92 92 CYS CYS A . n A 1 95 LEU 95 93 93 LEU LEU A . n A 1 96 TYR 96 94 94 TYR TYR A . n A 1 97 LEU 97 95 95 LEU LEU A . n A 1 98 ASN 98 96 96 ASN ASN A . n A 1 99 VAL 99 97 97 VAL VAL A . n A 1 100 TRP 100 98 98 TRP TRP A . n A 1 101 ILE 101 99 99 ILE ILE A . n A 1 102 PRO 102 100 100 PRO PRO A . n A 1 103 ALA 103 101 101 ALA ALA A . n A 1 104 PRO 104 102 102 PRO PRO A . n A 1 105 LYS 105 103 103 LYS LYS A . n A 1 106 PRO 106 104 104 PRO PRO A . n A 1 107 LYS 107 105 105 LYS LYS A . n A 1 108 ASN 108 106 106 ASN ASN A . n A 1 109 ALA 109 107 107 ALA ALA A . n A 1 110 THR 110 108 108 THR THR A . n A 1 111 VAL 111 109 109 VAL VAL A . n A 1 112 LEU 112 110 110 LEU LEU A . n A 1 113 ILE 113 111 111 ILE ILE A . n A 1 114 TRP 114 112 112 TRP TRP A . n A 1 115 ILE 115 113 113 ILE ILE A . n A 1 116 TYR 116 114 114 TYR TYR A . n A 1 117 GLY 117 115 115 GLY GLY A . n A 1 118 GLY 118 116 116 GLY GLY A . n A 1 119 GLY 119 117 117 GLY GLY A . n A 1 120 PHE 120 118 118 PHE PHE A . n A 1 121 GLN 121 119 119 GLN GLN A . n A 1 122 THR 122 120 120 THR THR A . n A 1 123 GLY 123 121 121 GLY GLY A . n A 1 124 THR 124 122 122 THR THR A . n A 1 125 SER 125 123 123 SER SER A . n A 1 126 SER 126 124 124 SER SER A . n A 1 127 LEU 127 125 125 LEU LEU A . n A 1 128 HIS 128 126 126 HIS HIS A . n A 1 129 VAL 129 127 127 VAL VAL A . n A 1 130 TYR 130 128 128 TYR TYR A . n A 1 131 ASP 131 129 129 ASP ASP A . n A 1 132 GLY 132 130 130 GLY GLY A . n A 1 133 LYS 133 131 131 LYS LYS A . n A 1 134 PHE 134 132 132 PHE PHE A . n A 1 135 LEU 135 133 133 LEU LEU A . n A 1 136 ALA 136 134 134 ALA ALA A . n A 1 137 ARG 137 135 135 ARG ARG A . n A 1 138 VAL 138 136 136 VAL VAL A . n A 1 139 GLU 139 137 137 GLU GLU A . n A 1 140 ARG 140 138 138 ARG ARG A . n A 1 141 VAL 141 139 139 VAL VAL A . n A 1 142 ILE 142 140 140 ILE ILE A . n A 1 143 VAL 143 141 141 VAL VAL A . n A 1 144 VAL 144 142 142 VAL VAL A . n A 1 145 SER 145 143 143 SER SER A . n A 1 146 MET 146 144 144 MET MET A . n A 1 147 ASN 147 145 145 ASN ASN A . n A 1 148 TYR 148 146 146 TYR TYR A . n A 1 149 ARG 149 147 147 ARG ARG A . n A 1 150 VAL 150 148 148 VAL VAL A . n A 1 151 GLY 151 149 149 GLY GLY A . n A 1 152 ALA 152 150 150 ALA ALA A . n A 1 153 LEU 153 151 151 LEU LEU A . n A 1 154 GLY 154 152 152 GLY GLY A . n A 1 155 PHE 155 153 153 PHE PHE A . n A 1 156 LEU 156 154 154 LEU LEU A . n A 1 157 ALA 157 155 155 ALA ALA A . n A 1 158 LEU 158 156 156 LEU LEU A . n A 1 159 PRO 159 157 157 PRO PRO A . n A 1 160 GLY 160 158 158 GLY GLY A . n A 1 161 ASN 161 159 159 ASN ASN A . n A 1 162 PRO 162 160 160 PRO PRO A . n A 1 163 GLU 163 161 161 GLU GLU A . n A 1 164 ALA 164 162 162 ALA ALA A . n A 1 165 PRO 165 163 163 PRO PRO A . n A 1 166 GLY 166 164 164 GLY GLY A . n A 1 167 ASN 167 165 165 ASN ASN A . n A 1 168 MET 168 166 166 MET MET A . n A 1 169 GLY 169 167 167 GLY GLY A . n A 1 170 LEU 170 168 168 LEU LEU A . n A 1 171 PHE 171 169 169 PHE PHE A . n A 1 172 ASP 172 170 170 ASP ASP A . n A 1 173 GLN 173 171 171 GLN GLN A . n A 1 174 GLN 174 172 172 GLN GLN A . n A 1 175 LEU 175 173 173 LEU LEU A . n A 1 176 ALA 176 174 174 ALA ALA A . n A 1 177 LEU 177 175 175 LEU LEU A . n A 1 178 GLN 178 176 176 GLN GLN A . n A 1 179 TRP 179 177 177 TRP TRP A . n A 1 180 VAL 180 178 178 VAL VAL A . n A 1 181 GLN 181 179 179 GLN GLN A . n A 1 182 LYS 182 180 180 LYS LYS A . n A 1 183 ASN 183 181 181 ASN ASN A . n A 1 184 ILE 184 182 182 ILE ILE A . n A 1 185 ALA 185 183 183 ALA ALA A . n A 1 186 ALA 186 184 184 ALA ALA A . n A 1 187 PHE 187 185 185 PHE PHE A . n A 1 188 GLY 188 186 186 GLY GLY A . n A 1 189 GLY 189 187 187 GLY GLY A . n A 1 190 ASN 190 188 188 ASN ASN A . n A 1 191 PRO 191 189 189 PRO PRO A . n A 1 192 LYS 192 190 190 LYS LYS A . n A 1 193 SER 193 191 191 SER SER A . n A 1 194 VAL 194 192 192 VAL VAL A . n A 1 195 THR 195 193 193 THR THR A . n A 1 196 LEU 196 194 194 LEU LEU A . n A 1 197 PHE 197 195 195 PHE PHE A . n A 1 198 GLY 198 196 196 GLY GLY A . n A 1 199 GLU 199 197 197 GLU GLU A . n A 1 200 SER 200 198 198 SER SER A . n A 1 201 ALA 201 199 199 ALA ALA A . n A 1 202 GLY 202 200 200 GLY GLY A . n A 1 203 ALA 203 201 201 ALA ALA A . n A 1 204 ALA 204 202 202 ALA ALA A . n A 1 205 SER 205 203 203 SER SER A . n A 1 206 VAL 206 204 204 VAL VAL A . n A 1 207 SER 207 205 205 SER SER A . n A 1 208 LEU 208 206 206 LEU LEU A . n A 1 209 HIS 209 207 207 HIS HIS A . n A 1 210 LEU 210 208 208 LEU LEU A . n A 1 211 LEU 211 209 209 LEU LEU A . n A 1 212 SER 212 210 210 SER SER A . n A 1 213 PRO 213 211 211 PRO PRO A . n A 1 214 GLY 214 212 212 GLY GLY A . n A 1 215 SER 215 213 213 SER SER A . n A 1 216 HIS 216 214 214 HIS HIS A . n A 1 217 SER 217 215 215 SER SER A . n A 1 218 LEU 218 216 216 LEU LEU A . n A 1 219 PHE 219 217 217 PHE PHE A . n A 1 220 THR 220 218 218 THR THR A . n A 1 221 ARG 221 219 219 ARG ARG A . n A 1 222 ALA 222 220 220 ALA ALA A . n A 1 223 ILE 223 221 221 ILE ILE A . n A 1 224 LEU 224 222 222 LEU LEU A . n A 1 225 GLN 225 223 223 GLN GLN A . n A 1 226 SER 226 224 224 SER SER A . n A 1 227 GLY 227 225 225 GLY GLY A . n A 1 228 SER 228 226 226 SER SER A . n A 1 229 PHE 229 227 227 PHE PHE A . n A 1 230 ASN 230 228 228 ASN ASN A . n A 1 231 ALA 231 229 229 ALA ALA A . n A 1 232 PRO 232 230 230 PRO PRO A . n A 1 233 TRP 233 231 231 TRP TRP A . n A 1 234 ALA 234 232 232 ALA ALA A . n A 1 235 VAL 235 233 233 VAL VAL A . n A 1 236 THR 236 234 234 THR THR A . n A 1 237 SER 237 235 235 SER SER A . n A 1 238 LEU 238 236 236 LEU LEU A . n A 1 239 TYR 239 237 237 TYR TYR A . n A 1 240 GLU 240 238 238 GLU GLU A . n A 1 241 ALA 241 239 239 ALA ALA A . n A 1 242 ARG 242 240 240 ARG ARG A . n A 1 243 ASN 243 241 241 ASN ASN A . n A 1 244 ARG 244 242 242 ARG ARG A . n A 1 245 THR 245 243 243 THR THR A . n A 1 246 LEU 246 244 244 LEU LEU A . n A 1 247 ASN 247 245 245 ASN ASN A . n A 1 248 LEU 248 246 246 LEU LEU A . n A 1 249 ALA 249 247 247 ALA ALA A . n A 1 250 LYS 250 248 248 LYS LYS A . n A 1 251 LEU 251 249 249 LEU LEU A . n A 1 252 THR 252 250 250 THR THR A . n A 1 253 GLY 253 251 251 GLY GLY A . n A 1 254 CYS 254 252 252 CYS CYS A . n A 1 255 SER 255 253 253 SER SER A . n A 1 256 ARG 256 254 254 ARG ARG A . n A 1 257 GLU 257 255 255 GLU GLU A . n A 1 258 ASN 258 256 256 ASN ASN A . n A 1 259 GLU 259 257 257 GLU GLU A . n A 1 260 THR 260 258 258 THR THR A . n A 1 261 GLU 261 259 259 GLU GLU A . n A 1 262 ILE 262 260 260 ILE ILE A . n A 1 263 ILE 263 261 261 ILE ILE A . n A 1 264 LYS 264 262 262 LYS LYS A . n A 1 265 CYS 265 263 263 CYS CYS A . n A 1 266 LEU 266 264 264 LEU LEU A . n A 1 267 ARG 267 265 265 ARG ARG A . n A 1 268 ASN 268 266 266 ASN ASN A . n A 1 269 LYS 269 267 267 LYS LYS A . n A 1 270 ASP 270 268 268 ASP ASP A . n A 1 271 PRO 271 269 269 PRO PRO A . n A 1 272 GLN 272 270 270 GLN GLN A . n A 1 273 GLU 273 271 271 GLU GLU A . n A 1 274 ILE 274 272 272 ILE ILE A . n A 1 275 LEU 275 273 273 LEU LEU A . n A 1 276 LEU 276 274 274 LEU LEU A . n A 1 277 ASN 277 275 275 ASN ASN A . n A 1 278 GLU 278 276 276 GLU GLU A . n A 1 279 ALA 279 277 277 ALA ALA A . n A 1 280 PHE 280 278 278 PHE PHE A . n A 1 281 VAL 281 279 279 VAL VAL A . n A 1 282 VAL 282 280 280 VAL VAL A . n A 1 283 PRO 283 281 281 PRO PRO A . n A 1 284 TYR 284 282 282 TYR TYR A . n A 1 285 GLY 285 283 283 GLY GLY A . n A 1 286 THR 286 284 284 THR THR A . n A 1 287 PRO 287 285 285 PRO PRO A . n A 1 288 LEU 288 286 286 LEU LEU A . n A 1 289 SER 289 287 287 SER SER A . n A 1 290 VAL 290 288 288 VAL VAL A . n A 1 291 ASN 291 289 289 ASN ASN A . n A 1 292 PHE 292 290 290 PHE PHE A . n A 1 293 GLY 293 291 291 GLY GLY A . n A 1 294 PRO 294 292 292 PRO PRO A . n A 1 295 THR 295 293 293 THR THR A . n A 1 296 VAL 296 294 294 VAL VAL A . n A 1 297 ASP 297 295 295 ASP ASP A . n A 1 298 GLY 298 296 296 GLY GLY A . n A 1 299 ASP 299 297 297 ASP ASP A . n A 1 300 PHE 300 298 298 PHE PHE A . n A 1 301 LEU 301 299 299 LEU LEU A . n A 1 302 THR 302 300 300 THR THR A . n A 1 303 ASP 303 301 301 ASP ASP A . n A 1 304 MET 304 302 302 MET MET A . n A 1 305 PRO 305 303 303 PRO PRO A . n A 1 306 ASP 306 304 304 ASP ASP A . n A 1 307 ILE 307 305 305 ILE ILE A . n A 1 308 LEU 308 306 306 LEU LEU A . n A 1 309 LEU 309 307 307 LEU LEU A . n A 1 310 GLU 310 308 308 GLU GLU A . n A 1 311 LEU 311 309 309 LEU LEU A . n A 1 312 GLY 312 310 310 GLY GLY A . n A 1 313 GLN 313 311 311 GLN GLN A . n A 1 314 PHE 314 312 312 PHE PHE A . n A 1 315 LYS 315 313 313 LYS LYS A . n A 1 316 LYS 316 314 314 LYS LYS A . n A 1 317 THR 317 315 315 THR THR A . n A 1 318 GLN 318 316 316 GLN GLN A . n A 1 319 ILE 319 317 317 ILE ILE A . n A 1 320 LEU 320 318 318 LEU LEU A . n A 1 321 VAL 321 319 319 VAL VAL A . n A 1 322 GLY 322 320 320 GLY GLY A . n A 1 323 VAL 323 321 321 VAL VAL A . n A 1 324 ASN 324 322 322 ASN ASN A . n A 1 325 LYS 325 323 323 LYS LYS A . n A 1 326 ASP 326 324 324 ASP ASP A . n A 1 327 GLU 327 325 325 GLU GLU A . n A 1 328 GLY 328 326 326 GLY GLY A . n A 1 329 THR 329 327 327 THR THR A . n A 1 330 ALA 330 328 328 ALA ALA A . n A 1 331 PHE 331 329 329 PHE PHE A . n A 1 332 LEU 332 330 330 LEU LEU A . n A 1 333 VAL 333 331 331 VAL VAL A . n A 1 334 TYR 334 332 332 TYR TYR A . n A 1 335 GLY 335 333 333 GLY GLY A . n A 1 336 ALA 336 334 334 ALA ALA A . n A 1 337 PRO 337 335 335 PRO PRO A . n A 1 338 GLY 338 336 336 GLY GLY A . n A 1 339 PHE 339 337 337 PHE PHE A . n A 1 340 SER 340 338 338 SER SER A . n A 1 341 LYS 341 339 339 LYS LYS A . n A 1 342 ASP 342 340 340 ASP ASP A . n A 1 343 ASN 343 341 341 ASN ASN A . n A 1 344 ASN 344 342 342 ASN ASN A . n A 1 345 SER 345 343 343 SER SER A . n A 1 346 ILE 346 344 344 ILE ILE A . n A 1 347 ILE 347 345 345 ILE ILE A . n A 1 348 THR 348 346 346 THR THR A . n A 1 349 ARG 349 347 347 ARG ARG A . n A 1 350 LYS 350 348 348 LYS LYS A . n A 1 351 GLU 351 349 349 GLU GLU A . n A 1 352 PHE 352 350 350 PHE PHE A . n A 1 353 GLN 353 351 351 GLN GLN A . n A 1 354 GLU 354 352 352 GLU GLU A . n A 1 355 GLY 355 353 353 GLY GLY A . n A 1 356 LEU 356 354 354 LEU LEU A . n A 1 357 LYS 357 355 355 LYS LYS A . n A 1 358 ILE 358 356 356 ILE ILE A . n A 1 359 PHE 359 357 357 PHE PHE A . n A 1 360 PHE 360 358 358 PHE PHE A . n A 1 361 PRO 361 359 359 PRO PRO A . n A 1 362 GLY 362 360 360 GLY GLY A . n A 1 363 VAL 363 361 361 VAL VAL A . n A 1 364 SER 364 362 362 SER SER A . n A 1 365 GLU 365 363 363 GLU GLU A . n A 1 366 PHE 366 364 364 PHE PHE A . n A 1 367 GLY 367 365 365 GLY GLY A . n A 1 368 LYS 368 366 366 LYS LYS A . n A 1 369 GLU 369 367 367 GLU GLU A . n A 1 370 SER 370 368 368 SER SER A . n A 1 371 ILE 371 369 369 ILE ILE A . n A 1 372 LEU 372 370 370 LEU LEU A . n A 1 373 PHE 373 371 371 PHE PHE A . n A 1 374 HIS 374 372 372 HIS HIS A . n A 1 375 TYR 375 373 373 TYR TYR A . n A 1 376 THR 376 374 374 THR THR A . n A 1 377 ASP 377 375 375 ASP ASP A . n A 1 378 TRP 378 376 376 TRP TRP A . n A 1 379 VAL 379 377 377 VAL VAL A . n A 1 380 ASP 380 378 378 ASP ASP A . n A 1 381 ASP 381 379 379 ASP ASP A . n A 1 382 GLN 382 380 380 GLN GLN A . n A 1 383 ARG 383 381 381 ARG ARG A . n A 1 384 PRO 384 382 382 PRO PRO A . n A 1 385 GLU 385 383 383 GLU GLU A . n A 1 386 ASN 386 384 384 ASN ASN A . n A 1 387 TYR 387 385 385 TYR TYR A . n A 1 388 ARG 388 386 386 ARG ARG A . n A 1 389 GLU 389 387 387 GLU GLU A . n A 1 390 ALA 390 388 388 ALA ALA A . n A 1 391 LEU 391 389 389 LEU LEU A . n A 1 392 GLY 392 390 390 GLY GLY A . n A 1 393 ASP 393 391 391 ASP ASP A . n A 1 394 VAL 394 392 392 VAL VAL A . n A 1 395 VAL 395 393 393 VAL VAL A . n A 1 396 GLY 396 394 394 GLY GLY A . n A 1 397 ASP 397 395 395 ASP ASP A . n A 1 398 TYR 398 396 396 TYR TYR A . n A 1 399 ASN 399 397 397 ASN ASN A . n A 1 400 PHE 400 398 398 PHE PHE A . n A 1 401 ILE 401 399 399 ILE ILE A . n A 1 402 CYS 402 400 400 CYS CYS A . n A 1 403 PRO 403 401 401 PRO PRO A . n A 1 404 ALA 404 402 402 ALA ALA A . n A 1 405 LEU 405 403 403 LEU LEU A . n A 1 406 GLU 406 404 404 GLU GLU A . n A 1 407 PHE 407 405 405 PHE PHE A . n A 1 408 THR 408 406 406 THR THR A . n A 1 409 LYS 409 407 407 LYS LYS A . n A 1 410 LYS 410 408 408 LYS LYS A . n A 1 411 PHE 411 409 409 PHE PHE A . n A 1 412 SER 412 410 410 SER SER A . n A 1 413 GLU 413 411 411 GLU GLU A . n A 1 414 TRP 414 412 412 TRP TRP A . n A 1 415 GLY 415 413 413 GLY GLY A . n A 1 416 ASN 416 414 414 ASN ASN A . n A 1 417 ASN 417 415 415 ASN ASN A . n A 1 418 ALA 418 416 416 ALA ALA A . n A 1 419 PHE 419 417 417 PHE PHE A . n A 1 420 PHE 420 418 418 PHE PHE A . n A 1 421 TYR 421 419 419 TYR TYR A . n A 1 422 TYR 422 420 420 TYR TYR A . n A 1 423 PHE 423 421 421 PHE PHE A . n A 1 424 GLU 424 422 422 GLU GLU A . n A 1 425 HIS 425 423 423 HIS HIS A . n A 1 426 ARG 426 424 424 ARG ARG A . n A 1 427 SER 427 425 425 SER SER A . n A 1 428 SER 428 426 426 SER SER A . n A 1 429 LYS 429 427 427 LYS LYS A . n A 1 430 LEU 430 428 428 LEU LEU A . n A 1 431 PRO 431 429 429 PRO PRO A . n A 1 432 TRP 432 430 430 TRP TRP A . n A 1 433 PRO 433 431 431 PRO PRO A . n A 1 434 GLU 434 432 432 GLU GLU A . n A 1 435 TRP 435 433 433 TRP TRP A . n A 1 436 MET 436 434 434 MET MET A . n A 1 437 GLY 437 435 435 GLY GLY A . n A 1 438 VAL 438 436 436 VAL VAL A . n A 1 439 MET 439 437 437 MET MET A . n A 1 440 HIS 440 438 438 HIS HIS A . n A 1 441 GLY 441 439 439 GLY GLY A . n A 1 442 TYR 442 440 440 TYR TYR A . n A 1 443 GLU 443 441 441 GLU GLU A . n A 1 444 ILE 444 442 442 ILE ILE A . n A 1 445 GLU 445 443 443 GLU GLU A . n A 1 446 PHE 446 444 444 PHE PHE A . n A 1 447 VAL 447 445 445 VAL VAL A . n A 1 448 PHE 448 446 446 PHE PHE A . n A 1 449 GLY 449 447 447 GLY GLY A . n A 1 450 LEU 450 448 448 LEU LEU A . n A 1 451 PRO 451 449 449 PRO PRO A . n A 1 452 LEU 452 450 450 LEU LEU A . n A 1 453 GLU 453 451 451 GLU GLU A . n A 1 454 ARG 454 452 452 ARG ARG A . n A 1 455 ARG 455 453 453 ARG ARG A . n A 1 456 ASP 456 454 454 ASP ASP A . n A 1 457 ASN 457 455 455 ASN ASN A . n A 1 458 TYR 458 456 456 TYR TYR A . n A 1 459 THR 459 457 457 THR THR A . n A 1 460 LYS 460 458 458 LYS LYS A . n A 1 461 ALA 461 459 459 ALA ALA A . n A 1 462 GLU 462 460 460 GLU GLU A . n A 1 463 GLU 463 461 461 GLU GLU A . n A 1 464 ILE 464 462 462 ILE ILE A . n A 1 465 LEU 465 463 463 LEU LEU A . n A 1 466 SER 466 464 464 SER SER A . n A 1 467 ARG 467 465 465 ARG ARG A . n A 1 468 SER 468 466 466 SER SER A . n A 1 469 ILE 469 467 467 ILE ILE A . n A 1 470 VAL 470 468 468 VAL VAL A . n A 1 471 LYS 471 469 469 LYS LYS A . n A 1 472 ARG 472 470 470 ARG ARG A . n A 1 473 TRP 473 471 471 TRP TRP A . n A 1 474 ALA 474 472 472 ALA ALA A . n A 1 475 ASN 475 473 473 ASN ASN A . n A 1 476 PHE 476 474 474 PHE PHE A . n A 1 477 ALA 477 475 475 ALA ALA A . n A 1 478 LYS 478 476 476 LYS LYS A . n A 1 479 TYR 479 477 477 TYR TYR A . n A 1 480 GLY 480 478 478 GLY GLY A . n A 1 481 ASN 481 479 479 ASN ASN A . n A 1 482 PRO 482 480 480 PRO PRO A . n A 1 483 ASN 483 481 481 ASN ASN A . n A 1 484 GLU 484 482 482 GLU GLU A . n A 1 485 THR 485 483 483 THR THR A . n A 1 486 GLN 486 484 484 GLN GLN A . n A 1 487 ASN 487 485 485 ASN ASN A . n A 1 488 ASN 488 486 486 ASN ASN A . n A 1 489 SER 489 487 487 SER SER A . n A 1 490 THR 490 488 488 THR THR A . n A 1 491 SER 491 489 489 SER SER A . n A 1 492 TRP 492 490 490 TRP TRP A . n A 1 493 PRO 493 491 491 PRO PRO A . n A 1 494 VAL 494 492 492 VAL VAL A . n A 1 495 PHE 495 493 493 PHE PHE A . n A 1 496 LYS 496 494 494 LYS LYS A . n A 1 497 SER 497 495 495 SER SER A . n A 1 498 THR 498 496 496 THR THR A . n A 1 499 GLU 499 497 497 GLU GLU A . n A 1 500 GLN 500 498 498 GLN GLN A . n A 1 501 LYS 501 499 499 LYS LYS A . n A 1 502 TYR 502 500 500 TYR TYR A . n A 1 503 LEU 503 501 501 LEU LEU A . n A 1 504 THR 504 502 502 THR THR A . n A 1 505 LEU 505 503 503 LEU LEU A . n A 1 506 ASN 506 504 504 ASN ASN A . n A 1 507 THR 507 505 505 THR THR A . n A 1 508 GLU 508 506 506 GLU GLU A . n A 1 509 SER 509 507 507 SER SER A . n A 1 510 THR 510 508 508 THR THR A . n A 1 511 ARG 511 509 509 ARG ARG A . n A 1 512 ILE 512 510 510 ILE ILE A . n A 1 513 MET 513 511 511 MET MET A . n A 1 514 THR 514 512 512 THR THR A . n A 1 515 LYS 515 513 513 LYS LYS A . n A 1 516 LEU 516 514 514 LEU LEU A . n A 1 517 ARG 517 515 515 ARG ARG A . n A 1 518 ALA 518 516 516 ALA ALA A . n A 1 519 GLN 519 517 517 GLN GLN A . n A 1 520 GLN 520 518 518 GLN GLN A . n A 1 521 CYS 521 519 519 CYS CYS A . n A 1 522 ARG 522 520 520 ARG ARG A . n A 1 523 PHE 523 521 521 PHE PHE A . n A 1 524 TRP 524 522 522 TRP TRP A . n A 1 525 THR 525 523 523 THR THR A . n A 1 526 SER 526 524 524 SER SER A . n A 1 527 PHE 527 525 525 PHE PHE A . n A 1 528 PHE 528 526 526 PHE PHE A . n A 1 529 PRO 529 527 527 PRO PRO A . n A 1 530 LYS 530 528 528 LYS LYS A . n A 1 531 VAL 531 529 529 VAL VAL A . n B 1 1 ARG 1 -1 ? ? ? B . n B 1 2 SER 2 0 ? ? ? B . n B 1 3 GLU 3 1 ? ? ? B . n B 1 4 ASP 4 2 ? ? ? B . n B 1 5 ASP 5 3 ? ? ? B . n B 1 6 ILE 6 4 4 ILE ILE B . n B 1 7 ILE 7 5 5 ILE ILE B . n B 1 8 ILE 8 6 6 ILE ILE B . n B 1 9 ALA 9 7 7 ALA ALA B . n B 1 10 THR 10 8 8 THR THR B . n B 1 11 LYS 11 9 9 LYS LYS B . n B 1 12 ASN 12 10 10 ASN ASN B . n B 1 13 GLY 13 11 11 GLY GLY B . n B 1 14 LYS 14 12 12 LYS LYS B . n B 1 15 VAL 15 13 13 VAL VAL B . n B 1 16 ARG 16 14 14 ARG ARG B . n B 1 17 GLY 17 15 15 GLY GLY B . n B 1 18 MET 18 16 16 MET MET B . n B 1 19 ASN 19 17 17 ASN ASN B . n B 1 20 LEU 20 18 18 LEU LEU B . n B 1 21 THR 21 19 19 THR THR B . n B 1 22 VAL 22 20 20 VAL VAL B . n B 1 23 PHE 23 21 21 PHE PHE B . n B 1 24 GLY 24 22 22 GLY GLY B . n B 1 25 GLY 25 23 23 GLY GLY B . n B 1 26 THR 26 24 24 THR THR B . n B 1 27 VAL 27 25 25 VAL VAL B . n B 1 28 THR 28 26 26 THR THR B . n B 1 29 ALA 29 27 27 ALA ALA B . n B 1 30 PHE 30 28 28 PHE PHE B . n B 1 31 LEU 31 29 29 LEU LEU B . n B 1 32 GLY 32 30 30 GLY GLY B . n B 1 33 ILE 33 31 31 ILE ILE B . n B 1 34 PRO 34 32 32 PRO PRO B . n B 1 35 TYR 35 33 33 TYR TYR B . n B 1 36 ALA 36 34 34 ALA ALA B . n B 1 37 GLN 37 35 35 GLN GLN B . n B 1 38 PRO 38 36 36 PRO PRO B . n B 1 39 PRO 39 37 37 PRO PRO B . n B 1 40 LEU 40 38 38 LEU LEU B . n B 1 41 GLY 41 39 39 GLY GLY B . n B 1 42 ARG 42 40 40 ARG ARG B . n B 1 43 LEU 43 41 41 LEU LEU B . n B 1 44 ARG 44 42 42 ARG ARG B . n B 1 45 PHE 45 43 43 PHE PHE B . n B 1 46 LYS 46 44 44 LYS LYS B . n B 1 47 LYS 47 45 45 LYS LYS B . n B 1 48 PRO 48 46 46 PRO PRO B . n B 1 49 GLN 49 47 47 GLN GLN B . n B 1 50 SER 50 48 48 SER SER B . n B 1 51 LEU 51 49 49 LEU LEU B . n B 1 52 THR 52 50 50 THR THR B . n B 1 53 LYS 53 51 51 LYS LYS B . n B 1 54 TRP 54 52 52 TRP TRP B . n B 1 55 SER 55 53 53 SER SER B . n B 1 56 ASP 56 54 54 ASP ASP B . n B 1 57 ILE 57 55 55 ILE ILE B . n B 1 58 TRP 58 56 56 TRP TRP B . n B 1 59 ASN 59 57 57 ASN ASN B . n B 1 60 ALA 60 58 58 ALA ALA B . n B 1 61 THR 61 59 59 THR THR B . n B 1 62 LYS 62 60 60 LYS LYS B . n B 1 63 TYR 63 61 61 TYR TYR B . n B 1 64 ALA 64 62 62 ALA ALA B . n B 1 65 ASN 65 63 63 ASN ASN B . n B 1 66 SER 66 64 64 SER SER B . n B 1 67 CYS 67 65 65 CYS CYS B . n B 1 68 CYS 68 66 66 CYS CYS B . n B 1 69 GLN 69 67 67 GLN GLN B . n B 1 70 ASN 70 68 68 ASN ASN B . n B 1 71 ILE 71 69 69 ILE ILE B . n B 1 72 ASP 72 70 70 ASP ASP B . n B 1 73 GLN 73 71 71 GLN GLN B . n B 1 74 SER 74 72 72 SER SER B . n B 1 75 PHE 75 73 73 PHE PHE B . n B 1 76 PRO 76 74 74 PRO PRO B . n B 1 77 GLY 77 75 75 GLY GLY B . n B 1 78 PHE 78 76 76 PHE PHE B . n B 1 79 HIS 79 77 77 HIS HIS B . n B 1 80 GLY 80 78 78 GLY GLY B . n B 1 81 SER 81 79 79 SER SER B . n B 1 82 GLU 82 80 80 GLU GLU B . n B 1 83 MET 83 81 81 MET MET B . n B 1 84 TRP 84 82 82 TRP TRP B . n B 1 85 ASN 85 83 83 ASN ASN B . n B 1 86 PRO 86 84 84 PRO PRO B . n B 1 87 ASN 87 85 85 ASN ASN B . n B 1 88 THR 88 86 86 THR THR B . n B 1 89 ASP 89 87 87 ASP ASP B . n B 1 90 LEU 90 88 88 LEU LEU B . n B 1 91 SER 91 89 89 SER SER B . n B 1 92 GLU 92 90 90 GLU GLU B . n B 1 93 ASP 93 91 91 ASP ASP B . n B 1 94 CYS 94 92 92 CYS CYS B . n B 1 95 LEU 95 93 93 LEU LEU B . n B 1 96 TYR 96 94 94 TYR TYR B . n B 1 97 LEU 97 95 95 LEU LEU B . n B 1 98 ASN 98 96 96 ASN ASN B . n B 1 99 VAL 99 97 97 VAL VAL B . n B 1 100 TRP 100 98 98 TRP TRP B . n B 1 101 ILE 101 99 99 ILE ILE B . n B 1 102 PRO 102 100 100 PRO PRO B . n B 1 103 ALA 103 101 101 ALA ALA B . n B 1 104 PRO 104 102 102 PRO PRO B . n B 1 105 LYS 105 103 103 LYS LYS B . n B 1 106 PRO 106 104 104 PRO PRO B . n B 1 107 LYS 107 105 105 LYS LYS B . n B 1 108 ASN 108 106 106 ASN ASN B . n B 1 109 ALA 109 107 107 ALA ALA B . n B 1 110 THR 110 108 108 THR THR B . n B 1 111 VAL 111 109 109 VAL VAL B . n B 1 112 LEU 112 110 110 LEU LEU B . n B 1 113 ILE 113 111 111 ILE ILE B . n B 1 114 TRP 114 112 112 TRP TRP B . n B 1 115 ILE 115 113 113 ILE ILE B . n B 1 116 TYR 116 114 114 TYR TYR B . n B 1 117 GLY 117 115 115 GLY GLY B . n B 1 118 GLY 118 116 116 GLY GLY B . n B 1 119 GLY 119 117 117 GLY GLY B . n B 1 120 PHE 120 118 118 PHE PHE B . n B 1 121 GLN 121 119 119 GLN GLN B . n B 1 122 THR 122 120 120 THR THR B . n B 1 123 GLY 123 121 121 GLY GLY B . n B 1 124 THR 124 122 122 THR THR B . n B 1 125 SER 125 123 123 SER SER B . n B 1 126 SER 126 124 124 SER SER B . n B 1 127 LEU 127 125 125 LEU LEU B . n B 1 128 HIS 128 126 126 HIS HIS B . n B 1 129 VAL 129 127 127 VAL VAL B . n B 1 130 TYR 130 128 128 TYR TYR B . n B 1 131 ASP 131 129 129 ASP ASP B . n B 1 132 GLY 132 130 130 GLY GLY B . n B 1 133 LYS 133 131 131 LYS LYS B . n B 1 134 PHE 134 132 132 PHE PHE B . n B 1 135 LEU 135 133 133 LEU LEU B . n B 1 136 ALA 136 134 134 ALA ALA B . n B 1 137 ARG 137 135 135 ARG ARG B . n B 1 138 VAL 138 136 136 VAL VAL B . n B 1 139 GLU 139 137 137 GLU GLU B . n B 1 140 ARG 140 138 138 ARG ARG B . n B 1 141 VAL 141 139 139 VAL VAL B . n B 1 142 ILE 142 140 140 ILE ILE B . n B 1 143 VAL 143 141 141 VAL VAL B . n B 1 144 VAL 144 142 142 VAL VAL B . n B 1 145 SER 145 143 143 SER SER B . n B 1 146 MET 146 144 144 MET MET B . n B 1 147 ASN 147 145 145 ASN ASN B . n B 1 148 TYR 148 146 146 TYR TYR B . n B 1 149 ARG 149 147 147 ARG ARG B . n B 1 150 VAL 150 148 148 VAL VAL B . n B 1 151 GLY 151 149 149 GLY GLY B . n B 1 152 ALA 152 150 150 ALA ALA B . n B 1 153 LEU 153 151 151 LEU LEU B . n B 1 154 GLY 154 152 152 GLY GLY B . n B 1 155 PHE 155 153 153 PHE PHE B . n B 1 156 LEU 156 154 154 LEU LEU B . n B 1 157 ALA 157 155 155 ALA ALA B . n B 1 158 LEU 158 156 156 LEU LEU B . n B 1 159 PRO 159 157 157 PRO PRO B . n B 1 160 GLY 160 158 158 GLY GLY B . n B 1 161 ASN 161 159 159 ASN ASN B . n B 1 162 PRO 162 160 160 PRO PRO B . n B 1 163 GLU 163 161 161 GLU GLU B . n B 1 164 ALA 164 162 162 ALA ALA B . n B 1 165 PRO 165 163 163 PRO PRO B . n B 1 166 GLY 166 164 164 GLY GLY B . n B 1 167 ASN 167 165 165 ASN ASN B . n B 1 168 MET 168 166 166 MET MET B . n B 1 169 GLY 169 167 167 GLY GLY B . n B 1 170 LEU 170 168 168 LEU LEU B . n B 1 171 PHE 171 169 169 PHE PHE B . n B 1 172 ASP 172 170 170 ASP ASP B . n B 1 173 GLN 173 171 171 GLN GLN B . n B 1 174 GLN 174 172 172 GLN GLN B . n B 1 175 LEU 175 173 173 LEU LEU B . n B 1 176 ALA 176 174 174 ALA ALA B . n B 1 177 LEU 177 175 175 LEU LEU B . n B 1 178 GLN 178 176 176 GLN GLN B . n B 1 179 TRP 179 177 177 TRP TRP B . n B 1 180 VAL 180 178 178 VAL VAL B . n B 1 181 GLN 181 179 179 GLN GLN B . n B 1 182 LYS 182 180 180 LYS LYS B . n B 1 183 ASN 183 181 181 ASN ASN B . n B 1 184 ILE 184 182 182 ILE ILE B . n B 1 185 ALA 185 183 183 ALA ALA B . n B 1 186 ALA 186 184 184 ALA ALA B . n B 1 187 PHE 187 185 185 PHE PHE B . n B 1 188 GLY 188 186 186 GLY GLY B . n B 1 189 GLY 189 187 187 GLY GLY B . n B 1 190 ASN 190 188 188 ASN ASN B . n B 1 191 PRO 191 189 189 PRO PRO B . n B 1 192 LYS 192 190 190 LYS LYS B . n B 1 193 SER 193 191 191 SER SER B . n B 1 194 VAL 194 192 192 VAL VAL B . n B 1 195 THR 195 193 193 THR THR B . n B 1 196 LEU 196 194 194 LEU LEU B . n B 1 197 PHE 197 195 195 PHE PHE B . n B 1 198 GLY 198 196 196 GLY GLY B . n B 1 199 GLU 199 197 197 GLU GLU B . n B 1 200 SER 200 198 198 SER SER B . n B 1 201 ALA 201 199 199 ALA ALA B . n B 1 202 GLY 202 200 200 GLY GLY B . n B 1 203 ALA 203 201 201 ALA ALA B . n B 1 204 ALA 204 202 202 ALA ALA B . n B 1 205 SER 205 203 203 SER SER B . n B 1 206 VAL 206 204 204 VAL VAL B . n B 1 207 SER 207 205 205 SER SER B . n B 1 208 LEU 208 206 206 LEU LEU B . n B 1 209 HIS 209 207 207 HIS HIS B . n B 1 210 LEU 210 208 208 LEU LEU B . n B 1 211 LEU 211 209 209 LEU LEU B . n B 1 212 SER 212 210 210 SER SER B . n B 1 213 PRO 213 211 211 PRO PRO B . n B 1 214 GLY 214 212 212 GLY GLY B . n B 1 215 SER 215 213 213 SER SER B . n B 1 216 HIS 216 214 214 HIS HIS B . n B 1 217 SER 217 215 215 SER SER B . n B 1 218 LEU 218 216 216 LEU LEU B . n B 1 219 PHE 219 217 217 PHE PHE B . n B 1 220 THR 220 218 218 THR THR B . n B 1 221 ARG 221 219 219 ARG ARG B . n B 1 222 ALA 222 220 220 ALA ALA B . n B 1 223 ILE 223 221 221 ILE ILE B . n B 1 224 LEU 224 222 222 LEU LEU B . n B 1 225 GLN 225 223 223 GLN GLN B . n B 1 226 SER 226 224 224 SER SER B . n B 1 227 GLY 227 225 225 GLY GLY B . n B 1 228 SER 228 226 226 SER SER B . n B 1 229 PHE 229 227 227 PHE PHE B . n B 1 230 ASN 230 228 228 ASN ASN B . n B 1 231 ALA 231 229 229 ALA ALA B . n B 1 232 PRO 232 230 230 PRO PRO B . n B 1 233 TRP 233 231 231 TRP TRP B . n B 1 234 ALA 234 232 232 ALA ALA B . n B 1 235 VAL 235 233 233 VAL VAL B . n B 1 236 THR 236 234 234 THR THR B . n B 1 237 SER 237 235 235 SER SER B . n B 1 238 LEU 238 236 236 LEU LEU B . n B 1 239 TYR 239 237 237 TYR TYR B . n B 1 240 GLU 240 238 238 GLU GLU B . n B 1 241 ALA 241 239 239 ALA ALA B . n B 1 242 ARG 242 240 240 ARG ARG B . n B 1 243 ASN 243 241 241 ASN ASN B . n B 1 244 ARG 244 242 242 ARG ARG B . n B 1 245 THR 245 243 243 THR THR B . n B 1 246 LEU 246 244 244 LEU LEU B . n B 1 247 ASN 247 245 245 ASN ASN B . n B 1 248 LEU 248 246 246 LEU LEU B . n B 1 249 ALA 249 247 247 ALA ALA B . n B 1 250 LYS 250 248 248 LYS LYS B . n B 1 251 LEU 251 249 249 LEU LEU B . n B 1 252 THR 252 250 250 THR THR B . n B 1 253 GLY 253 251 251 GLY GLY B . n B 1 254 CYS 254 252 252 CYS CYS B . n B 1 255 SER 255 253 253 SER SER B . n B 1 256 ARG 256 254 254 ARG ARG B . n B 1 257 GLU 257 255 255 GLU GLU B . n B 1 258 ASN 258 256 256 ASN ASN B . n B 1 259 GLU 259 257 257 GLU GLU B . n B 1 260 THR 260 258 258 THR THR B . n B 1 261 GLU 261 259 259 GLU GLU B . n B 1 262 ILE 262 260 260 ILE ILE B . n B 1 263 ILE 263 261 261 ILE ILE B . n B 1 264 LYS 264 262 262 LYS LYS B . n B 1 265 CYS 265 263 263 CYS CYS B . n B 1 266 LEU 266 264 264 LEU LEU B . n B 1 267 ARG 267 265 265 ARG ARG B . n B 1 268 ASN 268 266 266 ASN ASN B . n B 1 269 LYS 269 267 267 LYS LYS B . n B 1 270 ASP 270 268 268 ASP ASP B . n B 1 271 PRO 271 269 269 PRO PRO B . n B 1 272 GLN 272 270 270 GLN GLN B . n B 1 273 GLU 273 271 271 GLU GLU B . n B 1 274 ILE 274 272 272 ILE ILE B . n B 1 275 LEU 275 273 273 LEU LEU B . n B 1 276 LEU 276 274 274 LEU LEU B . n B 1 277 ASN 277 275 275 ASN ASN B . n B 1 278 GLU 278 276 276 GLU GLU B . n B 1 279 ALA 279 277 277 ALA ALA B . n B 1 280 PHE 280 278 278 PHE PHE B . n B 1 281 VAL 281 279 279 VAL VAL B . n B 1 282 VAL 282 280 280 VAL VAL B . n B 1 283 PRO 283 281 281 PRO PRO B . n B 1 284 TYR 284 282 282 TYR TYR B . n B 1 285 GLY 285 283 283 GLY GLY B . n B 1 286 THR 286 284 284 THR THR B . n B 1 287 PRO 287 285 285 PRO PRO B . n B 1 288 LEU 288 286 286 LEU LEU B . n B 1 289 SER 289 287 287 SER SER B . n B 1 290 VAL 290 288 288 VAL VAL B . n B 1 291 ASN 291 289 289 ASN ASN B . n B 1 292 PHE 292 290 290 PHE PHE B . n B 1 293 GLY 293 291 291 GLY GLY B . n B 1 294 PRO 294 292 292 PRO PRO B . n B 1 295 THR 295 293 293 THR THR B . n B 1 296 VAL 296 294 294 VAL VAL B . n B 1 297 ASP 297 295 295 ASP ASP B . n B 1 298 GLY 298 296 296 GLY GLY B . n B 1 299 ASP 299 297 297 ASP ASP B . n B 1 300 PHE 300 298 298 PHE PHE B . n B 1 301 LEU 301 299 299 LEU LEU B . n B 1 302 THR 302 300 300 THR THR B . n B 1 303 ASP 303 301 301 ASP ASP B . n B 1 304 MET 304 302 302 MET MET B . n B 1 305 PRO 305 303 303 PRO PRO B . n B 1 306 ASP 306 304 304 ASP ASP B . n B 1 307 ILE 307 305 305 ILE ILE B . n B 1 308 LEU 308 306 306 LEU LEU B . n B 1 309 LEU 309 307 307 LEU LEU B . n B 1 310 GLU 310 308 308 GLU GLU B . n B 1 311 LEU 311 309 309 LEU LEU B . n B 1 312 GLY 312 310 310 GLY GLY B . n B 1 313 GLN 313 311 311 GLN GLN B . n B 1 314 PHE 314 312 312 PHE PHE B . n B 1 315 LYS 315 313 313 LYS LYS B . n B 1 316 LYS 316 314 314 LYS LYS B . n B 1 317 THR 317 315 315 THR THR B . n B 1 318 GLN 318 316 316 GLN GLN B . n B 1 319 ILE 319 317 317 ILE ILE B . n B 1 320 LEU 320 318 318 LEU LEU B . n B 1 321 VAL 321 319 319 VAL VAL B . n B 1 322 GLY 322 320 320 GLY GLY B . n B 1 323 VAL 323 321 321 VAL VAL B . n B 1 324 ASN 324 322 322 ASN ASN B . n B 1 325 LYS 325 323 323 LYS LYS B . n B 1 326 ASP 326 324 324 ASP ASP B . n B 1 327 GLU 327 325 325 GLU GLU B . n B 1 328 GLY 328 326 326 GLY GLY B . n B 1 329 THR 329 327 327 THR THR B . n B 1 330 ALA 330 328 328 ALA ALA B . n B 1 331 PHE 331 329 329 PHE PHE B . n B 1 332 LEU 332 330 330 LEU LEU B . n B 1 333 VAL 333 331 331 VAL VAL B . n B 1 334 TYR 334 332 332 TYR TYR B . n B 1 335 GLY 335 333 333 GLY GLY B . n B 1 336 ALA 336 334 334 ALA ALA B . n B 1 337 PRO 337 335 335 PRO PRO B . n B 1 338 GLY 338 336 336 GLY GLY B . n B 1 339 PHE 339 337 337 PHE PHE B . n B 1 340 SER 340 338 338 SER SER B . n B 1 341 LYS 341 339 339 LYS LYS B . n B 1 342 ASP 342 340 340 ASP ASP B . n B 1 343 ASN 343 341 341 ASN ASN B . n B 1 344 ASN 344 342 342 ASN ASN B . n B 1 345 SER 345 343 343 SER SER B . n B 1 346 ILE 346 344 344 ILE ILE B . n B 1 347 ILE 347 345 345 ILE ILE B . n B 1 348 THR 348 346 346 THR THR B . n B 1 349 ARG 349 347 347 ARG ARG B . n B 1 350 LYS 350 348 348 LYS LYS B . n B 1 351 GLU 351 349 349 GLU GLU B . n B 1 352 PHE 352 350 350 PHE PHE B . n B 1 353 GLN 353 351 351 GLN GLN B . n B 1 354 GLU 354 352 352 GLU GLU B . n B 1 355 GLY 355 353 353 GLY GLY B . n B 1 356 LEU 356 354 354 LEU LEU B . n B 1 357 LYS 357 355 355 LYS LYS B . n B 1 358 ILE 358 356 356 ILE ILE B . n B 1 359 PHE 359 357 357 PHE PHE B . n B 1 360 PHE 360 358 358 PHE PHE B . n B 1 361 PRO 361 359 359 PRO PRO B . n B 1 362 GLY 362 360 360 GLY GLY B . n B 1 363 VAL 363 361 361 VAL VAL B . n B 1 364 SER 364 362 362 SER SER B . n B 1 365 GLU 365 363 363 GLU GLU B . n B 1 366 PHE 366 364 364 PHE PHE B . n B 1 367 GLY 367 365 365 GLY GLY B . n B 1 368 LYS 368 366 366 LYS LYS B . n B 1 369 GLU 369 367 367 GLU GLU B . n B 1 370 SER 370 368 368 SER SER B . n B 1 371 ILE 371 369 369 ILE ILE B . n B 1 372 LEU 372 370 370 LEU LEU B . n B 1 373 PHE 373 371 371 PHE PHE B . n B 1 374 HIS 374 372 372 HIS HIS B . n B 1 375 TYR 375 373 373 TYR TYR B . n B 1 376 THR 376 374 374 THR THR B . n B 1 377 ASP 377 375 375 ASP ASP B . n B 1 378 TRP 378 376 376 TRP TRP B . n B 1 379 VAL 379 377 377 VAL VAL B . n B 1 380 ASP 380 378 378 ASP ASP B . n B 1 381 ASP 381 379 379 ASP ASP B . n B 1 382 GLN 382 380 380 GLN GLN B . n B 1 383 ARG 383 381 381 ARG ARG B . n B 1 384 PRO 384 382 382 PRO PRO B . n B 1 385 GLU 385 383 383 GLU GLU B . n B 1 386 ASN 386 384 384 ASN ASN B . n B 1 387 TYR 387 385 385 TYR TYR B . n B 1 388 ARG 388 386 386 ARG ARG B . n B 1 389 GLU 389 387 387 GLU GLU B . n B 1 390 ALA 390 388 388 ALA ALA B . n B 1 391 LEU 391 389 389 LEU LEU B . n B 1 392 GLY 392 390 390 GLY GLY B . n B 1 393 ASP 393 391 391 ASP ASP B . n B 1 394 VAL 394 392 392 VAL VAL B . n B 1 395 VAL 395 393 393 VAL VAL B . n B 1 396 GLY 396 394 394 GLY GLY B . n B 1 397 ASP 397 395 395 ASP ASP B . n B 1 398 TYR 398 396 396 TYR TYR B . n B 1 399 ASN 399 397 397 ASN ASN B . n B 1 400 PHE 400 398 398 PHE PHE B . n B 1 401 ILE 401 399 399 ILE ILE B . n B 1 402 CYS 402 400 400 CYS CYS B . n B 1 403 PRO 403 401 401 PRO PRO B . n B 1 404 ALA 404 402 402 ALA ALA B . n B 1 405 LEU 405 403 403 LEU LEU B . n B 1 406 GLU 406 404 404 GLU GLU B . n B 1 407 PHE 407 405 405 PHE PHE B . n B 1 408 THR 408 406 406 THR THR B . n B 1 409 LYS 409 407 407 LYS LYS B . n B 1 410 LYS 410 408 408 LYS LYS B . n B 1 411 PHE 411 409 409 PHE PHE B . n B 1 412 SER 412 410 410 SER SER B . n B 1 413 GLU 413 411 411 GLU GLU B . n B 1 414 TRP 414 412 412 TRP TRP B . n B 1 415 GLY 415 413 413 GLY GLY B . n B 1 416 ASN 416 414 414 ASN ASN B . n B 1 417 ASN 417 415 415 ASN ASN B . n B 1 418 ALA 418 416 416 ALA ALA B . n B 1 419 PHE 419 417 417 PHE PHE B . n B 1 420 PHE 420 418 418 PHE PHE B . n B 1 421 TYR 421 419 419 TYR TYR B . n B 1 422 TYR 422 420 420 TYR TYR B . n B 1 423 PHE 423 421 421 PHE PHE B . n B 1 424 GLU 424 422 422 GLU GLU B . n B 1 425 HIS 425 423 423 HIS HIS B . n B 1 426 ARG 426 424 424 ARG ARG B . n B 1 427 SER 427 425 425 SER SER B . n B 1 428 SER 428 426 426 SER SER B . n B 1 429 LYS 429 427 427 LYS LYS B . n B 1 430 LEU 430 428 428 LEU LEU B . n B 1 431 PRO 431 429 429 PRO PRO B . n B 1 432 TRP 432 430 430 TRP TRP B . n B 1 433 PRO 433 431 431 PRO PRO B . n B 1 434 GLU 434 432 432 GLU GLU B . n B 1 435 TRP 435 433 433 TRP TRP B . n B 1 436 MET 436 434 434 MET MET B . n B 1 437 GLY 437 435 435 GLY GLY B . n B 1 438 VAL 438 436 436 VAL VAL B . n B 1 439 MET 439 437 437 MET MET B . n B 1 440 HIS 440 438 438 HIS HIS B . n B 1 441 GLY 441 439 439 GLY GLY B . n B 1 442 TYR 442 440 440 TYR TYR B . n B 1 443 GLU 443 441 441 GLU GLU B . n B 1 444 ILE 444 442 442 ILE ILE B . n B 1 445 GLU 445 443 443 GLU GLU B . n B 1 446 PHE 446 444 444 PHE PHE B . n B 1 447 VAL 447 445 445 VAL VAL B . n B 1 448 PHE 448 446 446 PHE PHE B . n B 1 449 GLY 449 447 447 GLY GLY B . n B 1 450 LEU 450 448 448 LEU LEU B . n B 1 451 PRO 451 449 449 PRO PRO B . n B 1 452 LEU 452 450 450 LEU LEU B . n B 1 453 GLU 453 451 451 GLU GLU B . n B 1 454 ARG 454 452 452 ARG ARG B . n B 1 455 ARG 455 453 453 ARG ARG B . n B 1 456 ASP 456 454 454 ASP ASP B . n B 1 457 ASN 457 455 455 ASN ASN B . n B 1 458 TYR 458 456 456 TYR TYR B . n B 1 459 THR 459 457 457 THR THR B . n B 1 460 LYS 460 458 458 LYS LYS B . n B 1 461 ALA 461 459 459 ALA ALA B . n B 1 462 GLU 462 460 460 GLU GLU B . n B 1 463 GLU 463 461 461 GLU GLU B . n B 1 464 ILE 464 462 462 ILE ILE B . n B 1 465 LEU 465 463 463 LEU LEU B . n B 1 466 SER 466 464 464 SER SER B . n B 1 467 ARG 467 465 465 ARG ARG B . n B 1 468 SER 468 466 466 SER SER B . n B 1 469 ILE 469 467 467 ILE ILE B . n B 1 470 VAL 470 468 468 VAL VAL B . n B 1 471 LYS 471 469 469 LYS LYS B . n B 1 472 ARG 472 470 470 ARG ARG B . n B 1 473 TRP 473 471 471 TRP TRP B . n B 1 474 ALA 474 472 472 ALA ALA B . n B 1 475 ASN 475 473 473 ASN ASN B . n B 1 476 PHE 476 474 474 PHE PHE B . n B 1 477 ALA 477 475 475 ALA ALA B . n B 1 478 LYS 478 476 476 LYS LYS B . n B 1 479 TYR 479 477 477 TYR TYR B . n B 1 480 GLY 480 478 478 GLY GLY B . n B 1 481 ASN 481 479 479 ASN ASN B . n B 1 482 PRO 482 480 480 PRO PRO B . n B 1 483 ASN 483 481 481 ASN ASN B . n B 1 484 GLU 484 482 482 GLU GLU B . n B 1 485 THR 485 483 483 THR THR B . n B 1 486 GLN 486 484 484 GLN GLN B . n B 1 487 ASN 487 485 485 ASN ASN B . n B 1 488 ASN 488 486 486 ASN ASN B . n B 1 489 SER 489 487 487 SER SER B . n B 1 490 THR 490 488 488 THR THR B . n B 1 491 SER 491 489 489 SER SER B . n B 1 492 TRP 492 490 490 TRP TRP B . n B 1 493 PRO 493 491 491 PRO PRO B . n B 1 494 VAL 494 492 492 VAL VAL B . n B 1 495 PHE 495 493 493 PHE PHE B . n B 1 496 LYS 496 494 494 LYS LYS B . n B 1 497 SER 497 495 495 SER SER B . n B 1 498 THR 498 496 496 THR THR B . n B 1 499 GLU 499 497 497 GLU GLU B . n B 1 500 GLN 500 498 498 GLN GLN B . n B 1 501 LYS 501 499 499 LYS LYS B . n B 1 502 TYR 502 500 500 TYR TYR B . n B 1 503 LEU 503 501 501 LEU LEU B . n B 1 504 THR 504 502 502 THR THR B . n B 1 505 LEU 505 503 503 LEU LEU B . n B 1 506 ASN 506 504 504 ASN ASN B . n B 1 507 THR 507 505 505 THR THR B . n B 1 508 GLU 508 506 506 GLU GLU B . n B 1 509 SER 509 507 507 SER SER B . n B 1 510 THR 510 508 508 THR THR B . n B 1 511 ARG 511 509 509 ARG ARG B . n B 1 512 ILE 512 510 510 ILE ILE B . n B 1 513 MET 513 511 511 MET MET B . n B 1 514 THR 514 512 512 THR THR B . n B 1 515 LYS 515 513 513 LYS LYS B . n B 1 516 LEU 516 514 514 LEU LEU B . n B 1 517 ARG 517 515 515 ARG ARG B . n B 1 518 ALA 518 516 516 ALA ALA B . n B 1 519 GLN 519 517 517 GLN GLN B . n B 1 520 GLN 520 518 518 GLN GLN B . n B 1 521 CYS 521 519 519 CYS CYS B . n B 1 522 ARG 522 520 520 ARG ARG B . n B 1 523 PHE 523 521 521 PHE PHE B . n B 1 524 TRP 524 522 522 TRP TRP B . n B 1 525 THR 525 523 523 THR THR B . n B 1 526 SER 526 524 524 SER SER B . n B 1 527 PHE 527 525 525 PHE PHE B . n B 1 528 PHE 528 526 526 PHE PHE B . n B 1 529 PRO 529 527 527 PRO PRO B . n B 1 530 LYS 530 528 528 LYS LYS B . n B 1 531 VAL 531 529 529 VAL VAL B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 BAL 1 550 550 BAL BAL A . D 3 NAG 1 601 601 NAG NAG A . E 3 NAG 2 602 602 NAG NAG A . F 3 NAG 1 611 611 NAG NAG A . G 3 NAG 2 612 612 NAG NAG A . H 4 FUL 3 613 613 FUL FUL A . I 3 NAG 1 621 621 NAG NAG A . J 3 NAG 2 622 622 NAG NAG A . K 3 NAG 1 631 631 NAG NAG A . L 3 NAG 2 632 632 NAG NAG A . M 4 FUL 3 633 633 FUL FUL A . N 3 NAG 1 651 651 NAG NAG A . O 3 NAG 1 671 671 NAG NAG A . P 3 NAG 2 672 672 NAG NAG A . Q 5 MAN 3 673 673 MAN MAN A . R 3 NAG 1 681 681 NAG NAG A . S 3 NAG 2 682 682 NAG NAG A . T 4 FUL 3 683 683 FUL FUL A . U 6 PG4 1 1530 1530 PG4 PG4 A . V 6 PG4 1 1531 1531 PG4 PG4 A . W 7 EDO 1 1532 1532 EDO EDO A . X 7 EDO 1 1533 1533 EDO EDO A . Y 7 EDO 1 1534 1534 EDO EDO A . Z 7 EDO 1 1535 1535 EDO EDO A . AA 7 EDO 1 1536 1536 EDO EDO A . BA 7 EDO 1 1537 1537 EDO EDO A . CA 7 EDO 1 1538 1538 EDO EDO A . DA 7 EDO 1 1539 1539 EDO EDO A . EA 7 EDO 1 1540 1540 EDO EDO A . FA 8 UNX 1 1541 1541 UNX UNX A . GA 8 UNX 1 1542 1542 UNX UNX A . HA 8 UNX 1 1543 1543 UNX UNX A . IA 8 UNX 1 1544 1544 UNX UNX A . JA 9 CL 1 1545 1545 CL CL A . KA 9 CL 1 1546 1546 CL CL A . LA 9 CL 1 1547 1547 CL CL A . MA 8 UNX 1 1548 1548 UNX UNX A . NA 10 GLY 1 1643 1643 GLY GLY A . OA 2 BAL 1 550 550 BAL BAL B . PA 3 NAG 1 601 601 NAG NAG B . QA 3 NAG 1 611 611 NAG NAG B . RA 3 NAG 1 621 621 NAG NAG B . SA 3 NAG 1 631 631 NAG NAG B . TA 3 NAG 2 632 632 NAG NAG B . UA 4 FUL 3 633 633 FUL FUL B . VA 3 NAG 1 641 641 NAG NAG B . WA 3 NAG 2 642 642 NAG NAG B . XA 4 FUL 3 643 643 FUL FUL B . YA 3 NAG 1 651 651 NAG NAG B . ZA 3 NAG 1 661 661 NAG NAG B . AB 3 NAG 2 662 662 NAG NAG B . BB 4 FUL 3 663 663 FUL FUL B . CB 3 NAG 1 671 671 NAG NAG B . DB 11 PEG 1 1530 1530 PEG PEG B . EB 11 PEG 1 1531 1531 PEG PEG B . FB 7 EDO 1 1532 1532 EDO EDO B . GB 7 EDO 1 1533 1533 EDO EDO B . HB 7 EDO 1 1534 1534 EDO EDO B . IB 7 EDO 1 1535 1535 EDO EDO B . JB 7 EDO 1 1536 1536 EDO EDO B . KB 7 EDO 1 1537 1537 EDO EDO B . LB 7 EDO 1 1538 1538 EDO EDO B . MB 7 EDO 1 1539 1539 EDO EDO B . NB 7 EDO 1 1540 1540 EDO EDO B . OB 7 EDO 1 1541 1541 EDO EDO B . PB 8 UNX 1 1542 1542 UNX UNX B . QB 8 UNX 1 1543 1543 UNX UNX B . RB 8 UNX 1 1544 1544 UNX UNX B . SB 8 UNX 1 1545 1545 UNX UNX B . TB 9 CL 1 1546 1546 CL CL B . UB 9 CL 1 1547 1547 CL CL B . VB 8 UNX 1 1548 1548 UNX UNX B . WB 9 CL 1 1549 1549 CL CL B . XB 9 CL 1 1550 1550 CL CL B . YB 10 GLY 1 1642 1642 GLY GLY B . ZB 12 HOH 1 2001 2001 HOH HOH A . ZB 12 HOH 2 2002 2002 HOH HOH A . ZB 12 HOH 3 2003 2003 HOH HOH A . ZB 12 HOH 4 2004 2004 HOH HOH A . ZB 12 HOH 5 2005 2005 HOH HOH A . ZB 12 HOH 6 2006 2006 HOH HOH A . ZB 12 HOH 7 2007 2007 HOH HOH A . ZB 12 HOH 8 2008 2008 HOH HOH A . ZB 12 HOH 9 2009 2009 HOH HOH A . ZB 12 HOH 10 2010 2010 HOH HOH A . ZB 12 HOH 11 2011 2011 HOH HOH A . ZB 12 HOH 12 2012 2012 HOH HOH A . ZB 12 HOH 13 2013 2013 HOH HOH A . ZB 12 HOH 14 2014 2014 HOH HOH A . ZB 12 HOH 15 2015 2015 HOH HOH A . ZB 12 HOH 16 2016 2016 HOH HOH A . ZB 12 HOH 17 2017 2017 HOH HOH A . ZB 12 HOH 18 2018 2018 HOH HOH A . ZB 12 HOH 19 2019 2019 HOH HOH A . ZB 12 HOH 20 2020 2020 HOH HOH A . ZB 12 HOH 21 2021 2021 HOH HOH A . ZB 12 HOH 22 2022 2022 HOH HOH A . ZB 12 HOH 23 2023 2023 HOH HOH A . ZB 12 HOH 24 2024 2024 HOH HOH A . ZB 12 HOH 25 2025 2025 HOH HOH A . ZB 12 HOH 26 2026 2026 HOH HOH A . ZB 12 HOH 27 2027 2027 HOH HOH A . ZB 12 HOH 28 2028 2028 HOH HOH A . ZB 12 HOH 29 2029 2029 HOH HOH A . ZB 12 HOH 30 2030 2030 HOH HOH A . ZB 12 HOH 31 2031 2031 HOH HOH A . ZB 12 HOH 32 2032 2032 HOH HOH A . ZB 12 HOH 33 2033 2033 HOH HOH A . ZB 12 HOH 34 2034 2034 HOH HOH A . ZB 12 HOH 35 2035 2035 HOH HOH A . ZB 12 HOH 36 2036 2036 HOH HOH A . ZB 12 HOH 37 2037 2037 HOH HOH A . ZB 12 HOH 38 2038 2038 HOH HOH A . ZB 12 HOH 39 2039 2039 HOH HOH A . ZB 12 HOH 40 2040 2040 HOH HOH A . ZB 12 HOH 41 2041 2041 HOH HOH A . ZB 12 HOH 42 2042 2042 HOH HOH A . ZB 12 HOH 43 2043 2043 HOH HOH A . ZB 12 HOH 44 2044 2044 HOH HOH A . ZB 12 HOH 45 2045 2045 HOH HOH A . ZB 12 HOH 46 2046 2046 HOH HOH A . ZB 12 HOH 47 2047 2047 HOH HOH A . ZB 12 HOH 48 2048 2048 HOH HOH A . ZB 12 HOH 49 2049 2049 HOH HOH A . ZB 12 HOH 50 2050 2050 HOH HOH A . ZB 12 HOH 51 2051 2051 HOH HOH A . ZB 12 HOH 52 2052 2052 HOH HOH A . ZB 12 HOH 53 2053 2053 HOH HOH A . ZB 12 HOH 54 2054 2054 HOH HOH A . ZB 12 HOH 55 2055 2055 HOH HOH A . ZB 12 HOH 56 2056 2056 HOH HOH A . ZB 12 HOH 57 2057 2057 HOH HOH A . ZB 12 HOH 58 2058 2058 HOH HOH A . ZB 12 HOH 59 2059 2059 HOH HOH A . ZB 12 HOH 60 2060 2060 HOH HOH A . ZB 12 HOH 61 2061 2061 HOH HOH A . ZB 12 HOH 62 2062 2062 HOH HOH A . ZB 12 HOH 63 2063 2063 HOH HOH A . ZB 12 HOH 64 2064 2064 HOH HOH A . ZB 12 HOH 65 2065 2065 HOH HOH A . ZB 12 HOH 66 2066 2066 HOH HOH A . ZB 12 HOH 67 2067 2067 HOH HOH A . ZB 12 HOH 68 2068 2068 HOH HOH A . ZB 12 HOH 69 2069 2069 HOH HOH A . ZB 12 HOH 70 2070 2070 HOH HOH A . ZB 12 HOH 71 2071 2071 HOH HOH A . ZB 12 HOH 72 2072 2072 HOH HOH A . ZB 12 HOH 73 2073 2073 HOH HOH A . ZB 12 HOH 74 2074 2074 HOH HOH A . ZB 12 HOH 75 2075 2075 HOH HOH A . ZB 12 HOH 76 2076 2076 HOH HOH A . ZB 12 HOH 77 2077 2077 HOH HOH A . ZB 12 HOH 78 2078 2078 HOH HOH A . ZB 12 HOH 79 2079 2079 HOH HOH A . ZB 12 HOH 80 2080 2080 HOH HOH A . ZB 12 HOH 81 2081 2081 HOH HOH A . ZB 12 HOH 82 2082 2082 HOH HOH A . ZB 12 HOH 83 2083 2083 HOH HOH A . ZB 12 HOH 84 2084 2084 HOH HOH A . ZB 12 HOH 85 2085 2085 HOH HOH A . ZB 12 HOH 86 2086 2086 HOH HOH A . ZB 12 HOH 87 2087 2087 HOH HOH A . ZB 12 HOH 88 2088 2088 HOH HOH A . ZB 12 HOH 89 2089 2089 HOH HOH A . ZB 12 HOH 90 2090 2090 HOH HOH A . ZB 12 HOH 91 2091 2091 HOH HOH A . ZB 12 HOH 92 2092 2092 HOH HOH A . ZB 12 HOH 93 2093 2093 HOH HOH A . ZB 12 HOH 94 2094 2094 HOH HOH A . ZB 12 HOH 95 2095 2095 HOH HOH A . ZB 12 HOH 96 2096 2096 HOH HOH A . ZB 12 HOH 97 2097 2097 HOH HOH A . ZB 12 HOH 98 2098 2098 HOH HOH A . ZB 12 HOH 99 2099 2099 HOH HOH A . ZB 12 HOH 100 2100 2100 HOH HOH A . ZB 12 HOH 101 2101 2101 HOH HOH A . ZB 12 HOH 102 2102 2102 HOH HOH A . ZB 12 HOH 103 2103 2103 HOH HOH A . ZB 12 HOH 104 2104 2104 HOH HOH A . ZB 12 HOH 105 2105 2105 HOH HOH A . ZB 12 HOH 106 2106 2106 HOH HOH A . ZB 12 HOH 107 2107 2107 HOH HOH A . ZB 12 HOH 108 2108 2108 HOH HOH A . ZB 12 HOH 109 2109 2109 HOH HOH A . ZB 12 HOH 110 2110 2110 HOH HOH A . ZB 12 HOH 111 2111 2111 HOH HOH A . ZB 12 HOH 112 2112 2112 HOH HOH A . ZB 12 HOH 113 2113 2113 HOH HOH A . ZB 12 HOH 114 2114 2114 HOH HOH A . ZB 12 HOH 115 2115 2115 HOH HOH A . ZB 12 HOH 116 2116 2116 HOH HOH A . ZB 12 HOH 117 2117 2117 HOH HOH A . ZB 12 HOH 118 2118 2118 HOH HOH A . ZB 12 HOH 119 2119 2119 HOH HOH A . ZB 12 HOH 120 2120 2120 HOH HOH A . ZB 12 HOH 121 2121 2121 HOH HOH A . ZB 12 HOH 122 2122 2122 HOH HOH A . ZB 12 HOH 123 2123 2123 HOH HOH A . ZB 12 HOH 124 2124 2124 HOH HOH A . ZB 12 HOH 125 2125 2125 HOH HOH A . ZB 12 HOH 126 2126 2126 HOH HOH A . ZB 12 HOH 127 2127 2127 HOH HOH A . ZB 12 HOH 128 2128 2128 HOH HOH A . ZB 12 HOH 129 2129 2129 HOH HOH A . ZB 12 HOH 130 2130 2130 HOH HOH A . ZB 12 HOH 131 2131 2131 HOH HOH A . ZB 12 HOH 132 2132 2132 HOH HOH A . ZB 12 HOH 133 2133 2133 HOH HOH A . ZB 12 HOH 134 2134 2134 HOH HOH A . ZB 12 HOH 135 2135 2135 HOH HOH A . ZB 12 HOH 136 2136 2136 HOH HOH A . ZB 12 HOH 137 2137 2137 HOH HOH A . ZB 12 HOH 138 2138 2138 HOH HOH A . ZB 12 HOH 139 2139 2139 HOH HOH A . ZB 12 HOH 140 2140 2140 HOH HOH A . ZB 12 HOH 141 2141 2141 HOH HOH A . ZB 12 HOH 142 2142 2142 HOH HOH A . ZB 12 HOH 143 2143 2143 HOH HOH A . ZB 12 HOH 144 2144 2144 HOH HOH A . ZB 12 HOH 145 2145 2145 HOH HOH A . ZB 12 HOH 146 2146 2146 HOH HOH A . ZB 12 HOH 147 2147 2147 HOH HOH A . ZB 12 HOH 148 2148 2148 HOH HOH A . ZB 12 HOH 149 2149 2149 HOH HOH A . ZB 12 HOH 150 2150 2150 HOH HOH A . ZB 12 HOH 151 2151 2151 HOH HOH A . ZB 12 HOH 152 2152 2152 HOH HOH A . ZB 12 HOH 153 2153 2153 HOH HOH A . ZB 12 HOH 154 2154 2154 HOH HOH A . ZB 12 HOH 155 2155 2155 HOH HOH A . ZB 12 HOH 156 2156 2156 HOH HOH A . ZB 12 HOH 157 2157 2157 HOH HOH A . ZB 12 HOH 158 2158 2158 HOH HOH A . ZB 12 HOH 159 2159 2159 HOH HOH A . ZB 12 HOH 160 2160 2160 HOH HOH A . AC 12 HOH 1 2001 2001 HOH HOH B . AC 12 HOH 2 2002 2002 HOH HOH B . AC 12 HOH 3 2003 2003 HOH HOH B . AC 12 HOH 4 2004 2004 HOH HOH B . AC 12 HOH 5 2005 2005 HOH HOH B . AC 12 HOH 6 2006 2006 HOH HOH B . AC 12 HOH 7 2007 2007 HOH HOH B . AC 12 HOH 8 2008 2008 HOH HOH B . AC 12 HOH 9 2009 2009 HOH HOH B . AC 12 HOH 10 2010 2010 HOH HOH B . AC 12 HOH 11 2011 2011 HOH HOH B . AC 12 HOH 12 2012 2012 HOH HOH B . AC 12 HOH 13 2013 2013 HOH HOH B . AC 12 HOH 14 2014 2014 HOH HOH B . AC 12 HOH 15 2015 2015 HOH HOH B . AC 12 HOH 16 2016 2016 HOH HOH B . AC 12 HOH 17 2017 2017 HOH HOH B . AC 12 HOH 18 2018 2018 HOH HOH B . AC 12 HOH 19 2019 2019 HOH HOH B . AC 12 HOH 20 2020 2020 HOH HOH B . AC 12 HOH 21 2021 2021 HOH HOH B . AC 12 HOH 22 2022 2022 HOH HOH B . AC 12 HOH 23 2023 2023 HOH HOH B . AC 12 HOH 24 2024 2024 HOH HOH B . AC 12 HOH 25 2025 2025 HOH HOH B . AC 12 HOH 26 2026 2026 HOH HOH B . AC 12 HOH 27 2027 2027 HOH HOH B . AC 12 HOH 28 2028 2028 HOH HOH B . AC 12 HOH 29 2029 2029 HOH HOH B . AC 12 HOH 30 2030 2030 HOH HOH B . AC 12 HOH 31 2031 2031 HOH HOH B . AC 12 HOH 32 2032 2032 HOH HOH B . AC 12 HOH 33 2033 2033 HOH HOH B . AC 12 HOH 34 2034 2034 HOH HOH B . AC 12 HOH 35 2035 2035 HOH HOH B . AC 12 HOH 36 2036 2036 HOH HOH B . AC 12 HOH 37 2037 2037 HOH HOH B . AC 12 HOH 38 2038 2038 HOH HOH B . AC 12 HOH 39 2039 2039 HOH HOH B . AC 12 HOH 40 2040 2040 HOH HOH B . AC 12 HOH 41 2041 2041 HOH HOH B . AC 12 HOH 42 2042 2042 HOH HOH B . AC 12 HOH 43 2043 2043 HOH HOH B . AC 12 HOH 44 2044 2044 HOH HOH B . AC 12 HOH 45 2045 2045 HOH HOH B . AC 12 HOH 46 2046 2046 HOH HOH B . AC 12 HOH 47 2047 2047 HOH HOH B . AC 12 HOH 48 2048 2048 HOH HOH B . AC 12 HOH 49 2049 2049 HOH HOH B . AC 12 HOH 50 2050 2050 HOH HOH B . AC 12 HOH 51 2051 2051 HOH HOH B . AC 12 HOH 52 2052 2052 HOH HOH B . AC 12 HOH 53 2053 2053 HOH HOH B . AC 12 HOH 54 2054 2054 HOH HOH B . AC 12 HOH 55 2055 2055 HOH HOH B . AC 12 HOH 56 2056 2056 HOH HOH B . AC 12 HOH 57 2057 2057 HOH HOH B . AC 12 HOH 58 2058 2058 HOH HOH B . AC 12 HOH 59 2059 2059 HOH HOH B . AC 12 HOH 60 2060 2060 HOH HOH B . AC 12 HOH 61 2061 2061 HOH HOH B . AC 12 HOH 62 2062 2062 HOH HOH B . AC 12 HOH 63 2063 2063 HOH HOH B . AC 12 HOH 64 2064 2064 HOH HOH B . AC 12 HOH 65 2065 2065 HOH HOH B . AC 12 HOH 66 2066 2066 HOH HOH B . AC 12 HOH 67 2067 2067 HOH HOH B . AC 12 HOH 68 2068 2068 HOH HOH B . AC 12 HOH 69 2069 2069 HOH HOH B . AC 12 HOH 70 2070 2070 HOH HOH B . AC 12 HOH 71 2071 2071 HOH HOH B . AC 12 HOH 72 2072 2072 HOH HOH B . AC 12 HOH 73 2073 2073 HOH HOH B . AC 12 HOH 74 2074 2074 HOH HOH B . AC 12 HOH 75 2075 2075 HOH HOH B . AC 12 HOH 76 2076 2076 HOH HOH B . AC 12 HOH 77 2077 2077 HOH HOH B . AC 12 HOH 78 2078 2078 HOH HOH B . AC 12 HOH 79 2079 2079 HOH HOH B . AC 12 HOH 80 2080 2080 HOH HOH B . AC 12 HOH 81 2081 2081 HOH HOH B . AC 12 HOH 82 2082 2082 HOH HOH B . AC 12 HOH 83 2083 2083 HOH HOH B . AC 12 HOH 84 2084 2084 HOH HOH B . AC 12 HOH 85 2085 2085 HOH HOH B . AC 12 HOH 86 2086 2086 HOH HOH B . AC 12 HOH 87 2087 2087 HOH HOH B . AC 12 HOH 88 2088 2088 HOH HOH B . AC 12 HOH 89 2089 2089 HOH HOH B . AC 12 HOH 90 2090 2090 HOH HOH B . AC 12 HOH 91 2091 2091 HOH HOH B . AC 12 HOH 92 2092 2092 HOH HOH B . AC 12 HOH 93 2093 2093 HOH HOH B . AC 12 HOH 94 2094 2094 HOH HOH B . AC 12 HOH 95 2095 2095 HOH HOH B . AC 12 HOH 96 2096 2096 HOH HOH B . AC 12 HOH 97 2097 2097 HOH HOH B . AC 12 HOH 98 2098 2098 HOH HOH B . AC 12 HOH 99 2099 2099 HOH HOH B . AC 12 HOH 100 2100 2100 HOH HOH B . AC 12 HOH 101 2101 2101 HOH HOH B . AC 12 HOH 102 2102 2102 HOH HOH B . AC 12 HOH 103 2103 2103 HOH HOH B . AC 12 HOH 104 2104 2104 HOH HOH B . AC 12 HOH 105 2105 2105 HOH HOH B . AC 12 HOH 106 2106 2106 HOH HOH B . AC 12 HOH 107 2107 2107 HOH HOH B . AC 12 HOH 108 2108 2108 HOH HOH B . AC 12 HOH 109 2109 2109 HOH HOH B . AC 12 HOH 110 2110 2110 HOH HOH B . AC 12 HOH 111 2111 2111 HOH HOH B . AC 12 HOH 112 2112 2112 HOH HOH B . AC 12 HOH 113 2113 2113 HOH HOH B . AC 12 HOH 114 2114 2114 HOH HOH B . AC 12 HOH 115 2115 2115 HOH HOH B . AC 12 HOH 116 2116 2116 HOH HOH B . AC 12 HOH 117 2117 2117 HOH HOH B . AC 12 HOH 118 2118 2118 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 19 A ASN 17 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 59 A ASN 57 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 108 A ASN 106 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 243 A ASN 241 ? ASN 'GLYCOSYLATION SITE' 5 A ASN 343 A ASN 341 ? ASN 'GLYCOSYLATION SITE' 6 A ASN 483 A ASN 481 ? ASN 'GLYCOSYLATION SITE' 7 A ASN 488 A ASN 486 ? ASN 'GLYCOSYLATION SITE' 8 B ASN 19 B ASN 17 ? ASN 'GLYCOSYLATION SITE' 9 B ASN 59 B ASN 57 ? ASN 'GLYCOSYLATION SITE' 10 B ASN 108 B ASN 106 ? ASN 'GLYCOSYLATION SITE' 11 B ASN 243 B ASN 241 ? ASN 'GLYCOSYLATION SITE' 12 B ASN 258 B ASN 256 ? ASN 'GLYCOSYLATION SITE' 13 B ASN 343 B ASN 341 ? ASN 'GLYCOSYLATION SITE' 14 B ASN 457 B ASN 455 ? ASN 'GLYCOSYLATION SITE' 15 B ASN 483 B ASN 481 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? dimeric 2 2 software_defined_assembly PISA monomeric 1 3 software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,FA,GA,HA,IA,JA,KA,LA,MA,NA,ZB 1 2 B,OA,PA,QA,RA,SA,TA,UA,VA,WA,XA,YA,ZA,AB,BB,CB,DB,EB,FB,GB,HB,IB,JB,KB,LB,MB,NB,OB,PB,QB,RB,SB,TB,UB,VB,WB,XB,YB,AC 2 1 A,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,FA,GA,HA,IA,JA,KA,LA,MA,NA,ZB 3 1 B,OA,PA,QA,RA,SA,TA,UA,VA,WA,XA,YA,ZA,AB,BB,CB,DB,EB,FB,GB,HB,IB,JB,KB,LB,MB,NB,OB,PB,QB,RB,SB,TB,UB,VB,WB,XB,YB,AC # 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' 3_544 -x,y-1/2,-z-1/2 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 -39.6300000000 0.0000000000 0.0000000000 -1.0000000000 -113.6000000000 # 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 2012-07-04 2 'Structure model' 1 1 2012-08-08 3 'Structure model' 1 2 2013-11-20 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Derived calculations' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -10.8838 -10.3045 -8.4504 0.2550 0.2297 0.1640 -0.0305 -0.0073 0.0793 1.8420 2.0559 1.7580 -0.1064 -0.3574 0.0401 -0.0176 -0.3549 -0.2566 0.2116 -0.0029 0.0995 0.2822 0.0970 -0.0173 'X-RAY DIFFRACTION' 2 ? refined 4.2755 0.7050 -25.0057 0.2518 0.1438 0.0841 -0.0554 -0.0240 0.0332 2.3869 1.8759 2.4847 -0.5403 -0.7871 0.5015 -0.0004 -0.0652 0.0247 -0.2249 0.0287 -0.2040 -0.1154 0.3819 -0.0039 'X-RAY DIFFRACTION' 3 ? refined -31.9127 25.0871 -37.2007 0.2116 0.2144 0.2053 0.0130 -0.0229 0.0015 2.2006 3.2124 2.4515 0.7362 -0.1416 -0.6667 0.1855 -0.0179 0.1313 0.2722 0.0193 0.5592 -0.0716 -0.4262 -0.0881 'X-RAY DIFFRACTION' 4 ? refined -16.2567 37.8569 -51.8162 0.5127 0.1228 0.2338 -0.0139 -0.0571 0.1000 1.4876 1.7886 2.6521 0.5247 -0.4438 -0.3396 0.0827 0.2510 0.4237 -0.4997 0.0629 0.0607 -0.7299 0.0650 -0.0501 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? 'CHAIN A AND (RESSEQ 3:315)' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? 'CHAIN A AND (RESSEQ 316:529)' 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? 'CHAIN B AND (RESSEQ 4:315)' 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? 'CHAIN B AND (RESSEQ 316:529)' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PHENIX refinement '(PHENIX.REFINE)' ? 1 XDS 'data reduction' . ? 2 XSCALE 'data scaling' . ? 3 PHENIX phasing AUTOMR ? 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 ND2 B ASN 17 ? ? C2 B NAG 601 ? ? 1.64 2 1 UNK A UNX 1541 ? ? UNK A UNX 1542 ? ? 1.64 3 1 UNK B UNX 1542 ? ? UNK B UNX 1544 ? ? 1.80 4 1 O4 A NAG 651 ? ? UNK B UNX 1548 ? ? 1.94 5 1 UNK B UNX 1543 ? ? UNK B UNX 1544 ? ? 2.01 6 1 UNK A UNX 1542 ? ? UNK A UNX 1544 ? ? 2.04 7 1 OG A SER 198 ? ? C A BAL 550 ? ? 2.07 8 1 OG B SER 198 ? ? C B BAL 550 ? ? 2.08 9 1 UNK B UNX 1544 ? ? UNK B UNX 1545 ? ? 2.08 10 1 ND2 B ASN 241 ? ? C2 B NAG 631 ? ? 2.11 11 1 OE1 A GLU 497 ? ? O A HOH 2145 ? ? 2.12 12 1 O B ASN 455 ? ? O1 B EDO 1534 ? ? 2.13 13 1 ND2 A ASN 17 ? ? C2 A NAG 601 ? ? 2.14 14 1 UNK B UNX 1543 ? ? UNK B UNX 1545 ? ? 2.16 15 1 ND2 B ASN 57 ? ? C2 B NAG 611 ? ? 2.16 16 1 NH2 A ARG 465 ? B O A HOH 2129 ? ? 2.17 # 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 PHE A 43 ? ? 76.55 -13.39 2 1 THR A 50 ? ? -75.56 -83.70 3 1 ASP A 54 ? ? 59.93 -150.46 4 1 ASN A 106 ? ? -160.24 55.60 5 1 ALA A 162 ? ? -161.18 68.27 6 1 SER A 198 ? ? 60.88 -117.64 7 1 GLU A 255 ? ? -45.84 -74.98 8 1 ASP A 297 ? ? -105.40 -72.74 9 1 ASP A 324 ? ? -119.85 60.43 10 1 ARG A 381 ? ? 24.40 90.99 11 1 PHE A 398 ? ? -127.22 -61.89 12 1 GLU A 482 ? ? -109.91 -74.29 13 1 ASN A 485 ? ? 82.14 133.01 14 1 PHE B 43 ? ? 81.02 -16.24 15 1 LYS B 51 ? ? -49.52 153.18 16 1 ASP B 54 ? ? -75.39 -157.69 17 1 ASN B 106 ? ? -155.55 52.76 18 1 ASP B 129 ? ? -57.38 109.16 19 1 ALA B 162 ? ? -161.39 75.95 20 1 SER B 198 ? ? 58.91 -115.24 21 1 THR B 218 ? ? -120.78 -55.66 22 1 ASP B 297 ? ? -127.68 -77.91 23 1 ASP B 324 ? ? -118.71 62.15 24 1 TYR B 332 ? ? -99.92 38.32 25 1 SER B 338 ? ? -174.92 142.03 26 1 PHE B 398 ? ? -128.98 -63.48 27 1 ASN B 455 ? ? 66.35 -154.43 28 1 TYR B 456 ? ? 78.83 151.25 29 1 THR B 483 ? ? -83.23 -142.98 30 1 GLN B 484 ? ? 51.65 95.44 31 1 ASN B 485 ? ? -38.90 -20.07 32 1 ASN B 486 ? ? -65.61 -76.90 33 1 SER B 487 ? ? 50.38 -148.69 34 1 THR B 488 ? ? -170.29 6.61 35 1 SER B 489 ? ? 54.98 97.42 36 1 GLU B 506 ? ? -101.37 77.36 37 1 SER B 507 ? ? 75.56 112.16 38 1 PRO B 527 ? ? -61.95 2.96 # 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 NAG 651 ? 'WRONG HAND' . 2 1 C1 ? A MAN 673 ? 'WRONG HAND' . 3 1 C1 ? A NAG 681 ? PLANAR . 4 1 C1 ? B NAG 621 ? 'WRONG HAND' . 5 1 C1 ? B NAG 641 ? 'WRONG HAND' . 6 1 C1 ? B NAG 671 ? 'WRONG HAND' . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 0 A GLN 380 ? CB ? A GLN 382 CB 2 1 Y 0 A GLN 380 ? CG ? A GLN 382 CG 3 1 Y 0 A GLN 380 ? CD ? A GLN 382 CD 4 1 Y 0 A GLN 380 ? OE1 ? A GLN 382 OE1 5 1 Y 0 A ARG 453 ? CD ? A ARG 455 CD 6 1 Y 0 A ARG 453 ? NE ? A ARG 455 NE 7 1 Y 0 A ARG 453 ? CZ ? A ARG 455 CZ 8 1 Y 0 A ARG 453 ? NH1 ? A ARG 455 NH1 9 1 Y 0 A ARG 453 ? NH2 ? A ARG 455 NH2 10 1 Y 0 A GLU 506 ? CD ? A GLU 508 CD 11 1 Y 0 A GLU 506 ? OE1 ? A GLU 508 OE1 12 1 Y 0 A GLU 506 ? OE2 ? A GLU 508 OE2 13 1 Y 0 B ILE 4 ? O ? B ILE 6 O 14 1 Y 0 B ILE 4 ? CG1 ? B ILE 6 CG1 15 1 Y 0 B ILE 4 ? CG2 ? B ILE 6 CG2 16 1 Y 0 B ILE 4 ? CD1 ? B ILE 6 CD1 17 1 Y 0 B LYS 51 ? CB ? B LYS 53 CB 18 1 Y 0 B LYS 51 ? CG ? B LYS 53 CG 19 1 Y 0 B LYS 51 ? CD ? B LYS 53 CD 20 1 Y 0 B LYS 51 ? CE ? B LYS 53 CE 21 1 Y 0 B LYS 51 ? NZ ? B LYS 53 NZ 22 1 Y 0 B SER 53 ? CB ? B SER 55 CB 23 1 Y 0 B SER 53 ? OG ? B SER 55 OG 24 1 Y 0 B ASP 54 ? CB ? B ASP 56 CB 25 1 Y 0 B ASP 54 ? CG ? B ASP 56 CG 26 1 Y 0 B ASP 54 ? OD1 ? B ASP 56 OD1 27 1 Y 0 B ASP 54 ? OD2 ? B ASP 56 OD2 28 1 Y 0 B GLN 484 ? CG ? B GLN 486 CG 29 1 Y 0 B GLN 484 ? CD ? B GLN 486 CD 30 1 Y 0 B GLN 484 ? OE1 ? B GLN 486 OE1 31 1 Y 0 B GLN 484 ? NE2 ? B GLN 486 NE2 32 1 Y 0 B ASN 485 ? CB ? B ASN 487 CB 33 1 Y 0 B ASN 485 ? CG ? B ASN 487 CG 34 1 Y 0 B ASN 485 ? OD1 ? B ASN 487 OD1 35 1 Y 0 B ASN 485 ? ND2 ? B ASN 487 ND2 36 1 Y 0 B ASN 486 ? CG ? B ASN 488 CG 37 1 Y 0 B ASN 486 ? OD1 ? B ASN 488 OD1 38 1 Y 0 B ASN 486 ? ND2 ? B ASN 488 ND2 39 1 Y 0 B GLU 506 ? CG ? B GLU 508 CG 40 1 Y 0 B GLU 506 ? CD ? B GLU 508 CD 41 1 Y 0 B GLU 506 ? OE1 ? B GLU 508 OE1 42 1 Y 0 B SER 507 ? CB ? B SER 509 CB 43 1 Y 0 B SER 507 ? OG ? B SER 509 OG 44 1 Y 0 B ARG 509 ? NE ? B ARG 511 NE 45 1 Y 0 B ARG 509 ? CZ ? B ARG 511 CZ 46 1 Y 0 B ARG 509 ? NH1 ? B ARG 511 NH1 47 1 Y 0 B ARG 509 ? NH2 ? B ARG 511 NH2 # 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 ARG -1 ? A ARG 1 2 1 Y 1 A SER 0 ? A SER 2 3 1 Y 1 A GLU 1 ? A GLU 3 4 1 Y 1 A ASP 2 ? A ASP 4 5 1 Y 1 B ARG -1 ? B ARG 1 6 1 Y 1 B SER 0 ? B SER 2 7 1 Y 1 B GLU 1 ? B GLU 3 8 1 Y 1 B ASP 2 ? B ASP 4 9 1 Y 1 B ASP 3 ? B ASP 5 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 BETA-ALANINE BAL 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-L-FUCOSE FUL 5 ALPHA-D-MANNOSE MAN 6 'TETRAETHYLENE GLYCOL' PG4 7 1,2-ETHANEDIOL EDO 8 'UNKNOWN ATOM OR ION' UNX 9 'CHLORIDE ION' CL 10 GLYCINE GLY 11 'DI(HYDROXYETHYL)ETHER' PEG 12 water HOH #