data_5E9N # _entry.id 5E9N # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.296 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5E9N WWPDB D_1000213965 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5E9N _pdbx_database_status.recvd_initial_deposition_date 2015-10-15 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Polyakov, K.M.' 1 'Glazunova, O.A.' 2 'Fedorova, T.V.' 3 'Koroleva, O.V.' 4 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Int. J. Biol. Macromol.' _citation.journal_id_ASTM IJBMDR _citation.journal_id_CSD 0708 _citation.journal_id_ISSN 1879-0003 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 118 _citation.language ? _citation.page_first 406 _citation.page_last 418 _citation.title ;Structure-function study of two new middle-redox potential laccases from basidiomycetes Antrodiella faginea and Steccherinum murashkinskyi. ; _citation.year 2018 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1016/j.ijbiomac.2018.06.038 _citation.pdbx_database_id_PubMed 29890251 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Glazunova, O.A.' 1 ? primary 'Polyakov, K.M.' 2 ? primary 'Moiseenko, K.V.' 3 ? primary 'Kurzeev, S.A.' 4 ? primary 'Fedorova, T.V.' 5 ? # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5E9N _cell.details ? _cell.formula_units_Z ? _cell.length_a 55.510 _cell.length_a_esd ? _cell.length_b 83.270 _cell.length_b_esd ? _cell.length_c 111.040 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 4 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5E9N _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'Laccase 2' 56648.480 1 1.10.3.2 ? 'UNP residues 20-546' ? 2 non-polymer syn 'COPPER (II) ION' 63.546 4 ? ? ? ? 3 non-polymer syn 'SODIUM ION' 22.990 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 5 non-polymer syn '1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE' 266.331 2 ? ? ? ? 6 water nat water 18.015 731 ? ? ? ? # _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 ;AQIGPVTDLHITNANISPDGFSRPAVLAGGTFPGPTIAGNTGDNFQITVFNDLTDPSMLTDTSIHWHGLFQKGTNWADGP AFVTQCPIITGQSFDYNFNVPGQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPNASLYDVDDDTTIITLADWYHTLAQQE PIGAAITADATLINGLGRSFTNTTASPLSVITVQSGKRYRMRLVSISCDPNYLFSIDGHDMTIIEVDGVNSQQLTVDQIQ IFAAQRYSFVLNANQPVGNYWIRAQPNSGGQGFDGGINSAILRYEGATVEDPTTTAPTTFSNPLVETDLHPLADLGVPGQ PFRGGADDPLVLNLAFANGRFSIDGVSFVPPTVPVLLQILSGAQNAQDLLPAGSVISLPSNSVIEVALPAGAAGGPHPFH LHGHNFAVVQSANNATPNYVNPIWRDTVSIGGTGDNVTIRFTTNNPGPWFLHCHIDWHLEAGFAIVFAEDIPDTASANPV PQAWSDLCPAYDQAHNISTATRQDFQILCICGILHVNFRQEERCGIS ; _entity_poly.pdbx_seq_one_letter_code_can ;AQIGPVTDLHITNANISPDGFSRPAVLAGGTFPGPTIAGNTGDNFQITVFNDLTDPSMLTDTSIHWHGLFQKGTNWADGP AFVTQCPIITGQSFDYNFNVPGQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPNASLYDVDDDTTIITLADWYHTLAQQE PIGAAITADATLINGLGRSFTNTTASPLSVITVQSGKRYRMRLVSISCDPNYLFSIDGHDMTIIEVDGVNSQQLTVDQIQ IFAAQRYSFVLNANQPVGNYWIRAQPNSGGQGFDGGINSAILRYEGATVEDPTTTAPTTFSNPLVETDLHPLADLGVPGQ PFRGGADDPLVLNLAFANGRFSIDGVSFVPPTVPVLLQILSGAQNAQDLLPAGSVISLPSNSVIEVALPAGAAGGPHPFH LHGHNFAVVQSANNATPNYVNPIWRDTVSIGGTGDNVTIRFTTNNPGPWFLHCHIDWHLEAGFAIVFAEDIPDTASANPV PQAWSDLCPAYDQAHNISTATRQDFQILCICGILHVNFRQEERCGIS ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA n 1 2 GLN n 1 3 ILE n 1 4 GLY n 1 5 PRO n 1 6 VAL n 1 7 THR n 1 8 ASP n 1 9 LEU n 1 10 HIS n 1 11 ILE n 1 12 THR n 1 13 ASN n 1 14 ALA n 1 15 ASN n 1 16 ILE n 1 17 SER n 1 18 PRO n 1 19 ASP n 1 20 GLY n 1 21 PHE n 1 22 SER n 1 23 ARG n 1 24 PRO n 1 25 ALA n 1 26 VAL n 1 27 LEU n 1 28 ALA n 1 29 GLY n 1 30 GLY n 1 31 THR n 1 32 PHE n 1 33 PRO n 1 34 GLY n 1 35 PRO n 1 36 THR n 1 37 ILE n 1 38 ALA n 1 39 GLY n 1 40 ASN n 1 41 THR n 1 42 GLY n 1 43 ASP n 1 44 ASN n 1 45 PHE n 1 46 GLN n 1 47 ILE n 1 48 THR n 1 49 VAL n 1 50 PHE n 1 51 ASN n 1 52 ASP n 1 53 LEU n 1 54 THR n 1 55 ASP n 1 56 PRO n 1 57 SER n 1 58 MET n 1 59 LEU n 1 60 THR n 1 61 ASP n 1 62 THR n 1 63 SER n 1 64 ILE n 1 65 HIS n 1 66 TRP n 1 67 HIS n 1 68 GLY n 1 69 LEU n 1 70 PHE n 1 71 GLN n 1 72 LYS n 1 73 GLY n 1 74 THR n 1 75 ASN n 1 76 TRP n 1 77 ALA n 1 78 ASP n 1 79 GLY n 1 80 PRO n 1 81 ALA n 1 82 PHE n 1 83 VAL n 1 84 THR n 1 85 GLN n 1 86 CYS n 1 87 PRO n 1 88 ILE n 1 89 ILE n 1 90 THR n 1 91 GLY n 1 92 GLN n 1 93 SER n 1 94 PHE n 1 95 ASP n 1 96 TYR n 1 97 ASN n 1 98 PHE n 1 99 ASN n 1 100 VAL n 1 101 PRO n 1 102 GLY n 1 103 GLN n 1 104 ALA n 1 105 GLY n 1 106 THR n 1 107 PHE n 1 108 TRP n 1 109 TYR n 1 110 HIS n 1 111 SER n 1 112 HIS n 1 113 LEU n 1 114 SER n 1 115 THR n 1 116 GLN n 1 117 TYR n 1 118 CYS n 1 119 ASP n 1 120 GLY n 1 121 LEU n 1 122 ARG n 1 123 GLY n 1 124 PRO n 1 125 PHE n 1 126 VAL n 1 127 VAL n 1 128 TYR n 1 129 ASP n 1 130 PRO n 1 131 ASN n 1 132 ASP n 1 133 PRO n 1 134 ASN n 1 135 ALA n 1 136 SER n 1 137 LEU n 1 138 TYR n 1 139 ASP n 1 140 VAL n 1 141 ASP n 1 142 ASP n 1 143 ASP n 1 144 THR n 1 145 THR n 1 146 ILE n 1 147 ILE n 1 148 THR n 1 149 LEU n 1 150 ALA n 1 151 ASP n 1 152 TRP n 1 153 TYR n 1 154 HIS n 1 155 THR n 1 156 LEU n 1 157 ALA n 1 158 GLN n 1 159 GLN n 1 160 GLU n 1 161 PRO n 1 162 ILE n 1 163 GLY n 1 164 ALA n 1 165 ALA n 1 166 ILE n 1 167 THR n 1 168 ALA n 1 169 ASP n 1 170 ALA n 1 171 THR n 1 172 LEU n 1 173 ILE n 1 174 ASN n 1 175 GLY n 1 176 LEU n 1 177 GLY n 1 178 ARG n 1 179 SER n 1 180 PHE n 1 181 THR n 1 182 ASN n 1 183 THR n 1 184 THR n 1 185 ALA n 1 186 SER n 1 187 PRO n 1 188 LEU n 1 189 SER n 1 190 VAL n 1 191 ILE n 1 192 THR n 1 193 VAL n 1 194 GLN n 1 195 SER n 1 196 GLY n 1 197 LYS n 1 198 ARG n 1 199 TYR n 1 200 ARG n 1 201 MET n 1 202 ARG n 1 203 LEU n 1 204 VAL n 1 205 SER n 1 206 ILE n 1 207 SER n 1 208 CYS n 1 209 ASP n 1 210 PRO n 1 211 ASN n 1 212 TYR n 1 213 LEU n 1 214 PHE n 1 215 SER n 1 216 ILE n 1 217 ASP n 1 218 GLY n 1 219 HIS n 1 220 ASP n 1 221 MET n 1 222 THR n 1 223 ILE n 1 224 ILE n 1 225 GLU n 1 226 VAL n 1 227 ASP n 1 228 GLY n 1 229 VAL n 1 230 ASN n 1 231 SER n 1 232 GLN n 1 233 GLN n 1 234 LEU n 1 235 THR n 1 236 VAL n 1 237 ASP n 1 238 GLN n 1 239 ILE n 1 240 GLN n 1 241 ILE n 1 242 PHE n 1 243 ALA n 1 244 ALA n 1 245 GLN n 1 246 ARG n 1 247 TYR n 1 248 SER n 1 249 PHE n 1 250 VAL n 1 251 LEU n 1 252 ASN n 1 253 ALA n 1 254 ASN n 1 255 GLN n 1 256 PRO n 1 257 VAL n 1 258 GLY n 1 259 ASN n 1 260 TYR n 1 261 TRP n 1 262 ILE n 1 263 ARG n 1 264 ALA n 1 265 GLN n 1 266 PRO n 1 267 ASN n 1 268 SER n 1 269 GLY n 1 270 GLY n 1 271 GLN n 1 272 GLY n 1 273 PHE n 1 274 ASP n 1 275 GLY n 1 276 GLY n 1 277 ILE n 1 278 ASN n 1 279 SER n 1 280 ALA n 1 281 ILE n 1 282 LEU n 1 283 ARG n 1 284 TYR n 1 285 GLU n 1 286 GLY n 1 287 ALA n 1 288 THR n 1 289 VAL n 1 290 GLU n 1 291 ASP n 1 292 PRO n 1 293 THR n 1 294 THR n 1 295 THR n 1 296 ALA n 1 297 PRO n 1 298 THR n 1 299 THR n 1 300 PHE n 1 301 SER n 1 302 ASN n 1 303 PRO n 1 304 LEU n 1 305 VAL n 1 306 GLU n 1 307 THR n 1 308 ASP n 1 309 LEU n 1 310 HIS n 1 311 PRO n 1 312 LEU n 1 313 ALA n 1 314 ASP n 1 315 LEU n 1 316 GLY n 1 317 VAL n 1 318 PRO n 1 319 GLY n 1 320 GLN n 1 321 PRO n 1 322 PHE n 1 323 ARG n 1 324 GLY n 1 325 GLY n 1 326 ALA n 1 327 ASP n 1 328 ASP n 1 329 PRO n 1 330 LEU n 1 331 VAL n 1 332 LEU n 1 333 ASN n 1 334 LEU n 1 335 ALA n 1 336 PHE n 1 337 ALA n 1 338 ASN n 1 339 GLY n 1 340 ARG n 1 341 PHE n 1 342 SER n 1 343 ILE n 1 344 ASP n 1 345 GLY n 1 346 VAL n 1 347 SER n 1 348 PHE n 1 349 VAL n 1 350 PRO n 1 351 PRO n 1 352 THR n 1 353 VAL n 1 354 PRO n 1 355 VAL n 1 356 LEU n 1 357 LEU n 1 358 GLN n 1 359 ILE n 1 360 LEU n 1 361 SER n 1 362 GLY n 1 363 ALA n 1 364 GLN n 1 365 ASN n 1 366 ALA n 1 367 GLN n 1 368 ASP n 1 369 LEU n 1 370 LEU n 1 371 PRO n 1 372 ALA n 1 373 GLY n 1 374 SER n 1 375 VAL n 1 376 ILE n 1 377 SER n 1 378 LEU n 1 379 PRO n 1 380 SER n 1 381 ASN n 1 382 SER n 1 383 VAL n 1 384 ILE n 1 385 GLU n 1 386 VAL n 1 387 ALA n 1 388 LEU n 1 389 PRO n 1 390 ALA n 1 391 GLY n 1 392 ALA n 1 393 ALA n 1 394 GLY n 1 395 GLY n 1 396 PRO n 1 397 HIS n 1 398 PRO n 1 399 PHE n 1 400 HIS n 1 401 LEU n 1 402 HIS n 1 403 GLY n 1 404 HIS n 1 405 ASN n 1 406 PHE n 1 407 ALA n 1 408 VAL n 1 409 VAL n 1 410 GLN n 1 411 SER n 1 412 ALA n 1 413 ASN n 1 414 ASN n 1 415 ALA n 1 416 THR n 1 417 PRO n 1 418 ASN n 1 419 TYR n 1 420 VAL n 1 421 ASN n 1 422 PRO n 1 423 ILE n 1 424 TRP n 1 425 ARG n 1 426 ASP n 1 427 THR n 1 428 VAL n 1 429 SER n 1 430 ILE n 1 431 GLY n 1 432 GLY n 1 433 THR n 1 434 GLY n 1 435 ASP n 1 436 ASN n 1 437 VAL n 1 438 THR n 1 439 ILE n 1 440 ARG n 1 441 PHE n 1 442 THR n 1 443 THR n 1 444 ASN n 1 445 ASN n 1 446 PRO n 1 447 GLY n 1 448 PRO n 1 449 TRP n 1 450 PHE n 1 451 LEU n 1 452 HIS n 1 453 CYS n 1 454 HIS n 1 455 ILE n 1 456 ASP n 1 457 TRP n 1 458 HIS n 1 459 LEU n 1 460 GLU n 1 461 ALA n 1 462 GLY n 1 463 PHE n 1 464 ALA n 1 465 ILE n 1 466 VAL n 1 467 PHE n 1 468 ALA n 1 469 GLU n 1 470 ASP n 1 471 ILE n 1 472 PRO n 1 473 ASP n 1 474 THR n 1 475 ALA n 1 476 SER n 1 477 ALA n 1 478 ASN n 1 479 PRO n 1 480 VAL n 1 481 PRO n 1 482 GLN n 1 483 ALA n 1 484 TRP n 1 485 SER n 1 486 ASP n 1 487 LEU n 1 488 CYS n 1 489 PRO n 1 490 ALA n 1 491 TYR n 1 492 ASP n 1 493 GLN n 1 494 ALA n 1 495 HIS n 1 496 ASN n 1 497 ILE n 1 498 SER n 1 499 THR n 1 500 ALA n 1 501 THR n 1 502 ARG n 1 503 GLN n 1 504 ASP n 1 505 PHE n 1 506 GLN n 1 507 ILE n 1 508 LEU n 1 509 CYS n 1 510 ILE n 1 511 CYS n 1 512 GLY n 1 513 ILE n 1 514 LEU n 1 515 HIS n 1 516 VAL n 1 517 ASN n 1 518 PHE n 1 519 ARG n 1 520 GLN n 1 521 GLU n 1 522 GLU n 1 523 ARG n 1 524 CYS n 1 525 GLY n 1 526 ILE n 1 527 SER n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num 1 _entity_src_nat.pdbx_end_seq_num 527 _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Steccherinum murashkinskyi' _entity_src_nat.pdbx_ncbi_taxonomy_id 627145 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.db_code I1VE66_9APHY _struct_ref.db_name UNP _struct_ref.details ? _struct_ref.entity_id 1 _struct_ref.id 1 _struct_ref.seq_align ? _struct_ref.seq_dif ? _struct_ref.pdbx_db_accession I1VE66 _struct_ref.pdbx_db_isoform ? _struct_ref.pdbx_seq_one_letter_code ;AQIGPVTDLHITNANISPDGFSRPAVLAGGTFPGPTIAGNTGDNFQITVFNDLTDPSMLTDTSIHWHGLFQKGTNWADGP AFVTQCPIITGQSFDYNFNVPGQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPNASLYDVDDDTTIITLADWYHTLAQQE PIGAAITADATLINGLGRSFTNTTASPLSVITVQSGKRYRMRLVSISCDPNYLFSIDGHDMTIIEVDGVNSQQLTVDQIQ IFAAQRYSFVLNANQPVGNYWIRAQPNSGGQGFDGGINSAILRYEGATVEDPTTTAPTTFSNPLVETDLHPLADLGVPGQ PFRGGADDPLVLNLAFANGRFSIDGVSFVPPTVPVLLQILSGAQNAQDLLPAGSVISLPSNSVIEVALPAGAAGGPHPFH LHGHNFAVVQSANNATPNYVNPIWRDTVSIGGTGDNVTIRFTTNNPGPWFLHCHIDWHLEAGFAIVFAEDIPDTASANPV PQAWSDLCPAYDQAHNISTATRQDFQILCICGILHVNFRQEERCGIS ; _struct_ref.pdbx_align_begin 20 _struct_ref.pdbx_align_end ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5E9N _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 527 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession I1VE66 _struct_ref_seq.db_align_beg 20 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 546 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 527 # 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 CU non-polymer . 'COPPER (II) ION' ? 'Cu 2' 63.546 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PG6 non-polymer . '1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE' ? 'C12 H26 O6' 266.331 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 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5E9N _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.27 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 45.70 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1M Tris pH 8.5, 0.2 ammoniun sulphate, 25% PEG 3350' _exptl_crystal_grow.pdbx_pH_range 8.5 # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'MAR CCD 165 mm' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2008-10-31 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.803 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'EMBL/DESY, HAMBURG BEAMLINE X13' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.803 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline X13 _diffrn_source.pdbx_synchrotron_site 'EMBL/DESY, HAMBURG' # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5E9N _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 0.95 _reflns.d_resolution_low 8.0 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 981844 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 94.4 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.2 _reflns.pdbx_Rmerge_I_obs 0.07 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 10.44 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 0.95 _reflns_shell.d_res_low 1.00 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.0 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 96.1 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.668 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 3.2 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] -0.03 _refine.aniso_B[1][2] -0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][2] -0.09 _refine.aniso_B[2][3] 0.00 _refine.aniso_B[3][3] 0.13 _refine.B_iso_max ? _refine.B_iso_mean 13.028 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.985 _refine.correlation_coeff_Fo_to_Fc_free 0.980 _refine.details 'HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5E9N _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 0.95 _refine.ls_d_res_low 8.0 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 301501 _refine.ls_number_reflns_R_free 15916 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 98.53 _refine.ls_percent_reflns_R_free 5.0 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.12209 _refine.ls_R_factor_R_free 0.13941 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.12117 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 3FPX _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.016 _refine.pdbx_overall_ESU_R_Free 0.017 _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 0.635 _refine.overall_SU_ML 0.015 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3739 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 74 _refine_hist.number_atoms_solvent 731 _refine_hist.number_atoms_total 4544 _refine_hist.d_res_high 0.95 _refine_hist.d_res_low 8.0 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.019 0.019 4010 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.001 0.020 3309 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.804 1.950 5493 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 0.910 3.000 7620 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 6.896 5.000 496 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 35.732 25.189 185 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 10.993 15.000 539 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 22.260 15.000 13 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.131 0.200 626 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.011 0.021 4567 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.001 0.020 860 ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? 1.144 ? 1986 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 1.114 ? 1981 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 1.550 ? 2482 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 1.498 ? 2478 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 1.913 ? 2024 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 1.798 ? 1999 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 2.295 ? 2982 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 3.440 ? 5528 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 2.855 ? 5011 ? r_long_range_B_other ? ? 'X-RAY DIFFRACTION' ? 5.387 3.000 3882 ? r_rigid_bond_restr ? ? 'X-RAY DIFFRACTION' ? 26.915 5.000 82 ? r_sphericity_free ? ? 'X-RAY DIFFRACTION' ? 9.682 5.000 4254 ? r_sphericity_bonded ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 0.950 _refine_ls_shell.d_res_low 0.975 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 1097 _refine_ls_shell.number_reflns_R_work 21636 _refine_ls_shell.percent_reflns_obs 96.08 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.278 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.277 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5E9N _struct.title 'Steccherinum murashkinskyi laccase at 0.95 resolution' _struct.pdbx_descriptor 'Laccase 2 (E.C.1.10.3.2)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5E9N _struct_keywords.text 'laccase, oxidoreductase, enzyme' _struct_keywords.pdbx_keywords OXIDOREDUCTASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 3 ? G N N 4 ? H N N 4 ? I N N 4 ? J N N 4 ? K N N 5 ? L N N 5 ? M N N 6 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ASP A 55 ? LEU A 59 ? ASP A 55 LEU A 59 5 ? 5 HELX_P HELX_P2 AA2 THR A 74 ? ASP A 78 ? THR A 74 ASP A 78 5 ? 5 HELX_P HELX_P3 AA3 THR A 115 ? GLY A 120 ? THR A 115 GLY A 120 5 ? 6 HELX_P HELX_P4 AA4 ASN A 134 ? TYR A 138 ? ASN A 134 TYR A 138 5 ? 5 HELX_P HELX_P5 AA5 ASP A 142 ? THR A 144 ? ASP A 142 THR A 144 5 ? 3 HELX_P HELX_P6 AA6 LEU A 156 ? GLU A 160 ? LEU A 156 GLU A 160 5 ? 5 HELX_P HELX_P7 AA7 PHE A 273 ? ILE A 277 ? PHE A 273 ILE A 277 5 ? 5 HELX_P HELX_P8 AA8 VAL A 305 ? LEU A 309 ? VAL A 305 LEU A 309 5 ? 5 HELX_P HELX_P9 AA9 PRO A 354 ? SER A 361 ? PRO A 354 SER A 361 1 ? 8 HELX_P HELX_P10 AB1 ASN A 365 ? LEU A 369 ? ASN A 365 LEU A 369 5 ? 5 HELX_P HELX_P11 AB2 ILE A 455 ? ALA A 461 ? ILE A 455 ALA A 461 1 ? 7 HELX_P HELX_P12 AB3 ASP A 470 ? ASN A 478 ? ASP A 470 ASN A 478 1 ? 9 HELX_P HELX_P13 AB4 PRO A 481 ? ASP A 486 ? PRO A 481 ASP A 486 1 ? 6 HELX_P HELX_P14 AB5 ASP A 486 ? HIS A 495 ? ASP A 486 HIS A 495 1 ? 10 # _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 86 SG ? ? ? 1_555 A CYS 488 SG A ? A CYS 86 A CYS 488 1_555 ? ? ? ? ? ? ? 2.167 ? disulf2 disulf ? ? A CYS 118 SG A ? ? 1_555 A CYS 208 SG A ? A CYS 118 A CYS 208 1_555 ? ? ? ? ? ? ? 2.024 ? disulf3 disulf ? ? A CYS 118 SG B ? ? 1_555 A CYS 208 SG B ? A CYS 118 A CYS 208 1_555 ? ? ? ? ? ? ? 2.076 ? metalc1 metalc ? ? A HIS 65 NE2 ? ? ? 1_555 D CU . CU ? ? A HIS 65 A CU 603 1_555 ? ? ? ? ? ? ? 1.872 ? metalc2 metalc ? ? A HIS 67 ND1 ? ? ? 1_555 C CU . CU B ? A HIS 67 A CU 602 1_555 ? ? ? ? ? ? ? 2.136 ? metalc3 metalc ? ? A HIS 67 ND1 ? ? ? 1_555 C CU . CU A ? A HIS 67 A CU 602 1_555 ? ? ? ? ? ? ? 1.874 ? metalc4 metalc ? ? A HIS 110 NE2 ? ? ? 1_555 C CU . CU B ? A HIS 110 A CU 602 1_555 ? ? ? ? ? ? ? 2.069 ? metalc5 metalc ? ? A HIS 110 NE2 ? ? ? 1_555 C CU . CU A ? A HIS 110 A CU 602 1_555 ? ? ? ? ? ? ? 1.962 ? metalc6 metalc ? ? A HIS 112 NE2 ? ? ? 1_555 B CU . CU A ? A HIS 112 A CU 601 1_555 ? ? ? ? ? ? ? 1.988 ? metalc7 metalc ? ? A HIS 112 NE2 ? ? ? 1_555 B CU . CU B ? A HIS 112 A CU 601 1_555 ? ? ? ? ? ? ? 2.178 ? metalc8 metalc ? ? A VAL 317 O ? ? ? 1_555 F NA . NA ? ? A VAL 317 A NA 605 1_555 ? ? ? ? ? ? ? 2.303 ? metalc9 metalc ? ? A HIS 397 ND1 ? ? ? 1_555 E CU . CU ? ? A HIS 397 A CU 604 1_555 ? ? ? ? ? ? ? 1.994 ? metalc10 metalc ? ? A HIS 400 NE2 ? ? ? 1_555 D CU . CU ? ? A HIS 400 A CU 603 1_555 ? ? ? ? ? ? ? 1.865 ? metalc11 metalc ? ? A HIS 402 NE2 ? ? ? 1_555 B CU . CU A ? A HIS 402 A CU 601 1_555 ? ? ? ? ? ? ? 1.946 ? metalc12 metalc ? ? A HIS 402 NE2 ? ? ? 1_555 B CU . CU B ? A HIS 402 A CU 601 1_555 ? ? ? ? ? ? ? 2.020 ? covale1 covale one ? A ASN 414 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 414 A NAG 608 1_555 ? ? ? ? ? ? ? 1.420 ? covale2 covale one ? A ASN 436 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 436 A NAG 606 1_555 ? ? ? ? ? ? ? 1.422 ? metalc13 metalc ? ? A HIS 452 NE2 ? ? ? 1_555 B CU . CU A ? A HIS 452 A CU 601 1_555 ? ? ? ? ? ? ? 1.890 ? metalc14 metalc ? ? A HIS 452 NE2 ? ? ? 1_555 B CU . CU B ? A HIS 452 A CU 601 1_555 ? ? ? ? ? ? ? 2.201 ? metalc15 metalc ? ? A CYS 453 SG ? ? ? 1_555 E CU . CU ? ? A CYS 453 A CU 604 1_555 ? ? ? ? ? ? ? 2.171 ? metalc16 metalc ? ? A HIS 454 NE2 ? ? ? 1_555 C CU . CU B ? A HIS 454 A CU 602 1_555 ? ? ? ? ? ? ? 1.949 ? metalc17 metalc ? ? A HIS 454 NE2 ? ? ? 1_555 C CU . CU A ? A HIS 454 A CU 602 1_555 ? ? ? ? ? ? ? 2.069 ? metalc18 metalc ? ? A HIS 458 ND1 ? ? ? 1_555 E CU . CU ? ? A HIS 458 A CU 604 1_555 ? ? ? ? ? ? ? 1.984 ? metalc19 metalc ? ? B CU . CU A ? ? 1_555 M HOH . O ? ? A CU 601 A HOH 1125 1_555 ? ? ? ? ? ? ? 2.464 ? metalc20 metalc ? ? B CU . CU B ? ? 1_555 M HOH . O ? ? A CU 601 A HOH 1125 1_555 ? ? ? ? ? ? ? 1.744 ? metalc21 metalc ? ? C CU . CU B ? ? 1_555 M HOH . O ? ? A CU 602 A HOH 1125 1_555 ? ? ? ? ? ? ? 2.234 ? metalc22 metalc ? ? D CU . CU ? ? ? 1_555 M HOH . O ? ? A CU 603 A HOH 996 1_555 ? ? ? ? ? ? ? 2.533 ? metalc23 metalc ? ? F NA . NA ? ? ? 1_555 M HOH . O ? ? A NA 605 A HOH 959 1_555 ? ? ? ? ? ? ? 2.259 ? metalc24 metalc ? ? F NA . NA ? ? ? 1_555 M HOH . O ? ? A NA 605 A HOH 1243 1_555 ? ? ? ? ? ? ? 2.446 ? metalc25 metalc ? ? F NA . NA ? ? ? 1_555 M HOH . O ? ? A NA 605 A HOH 1144 1_555 ? ? ? ? ? ? ? 2.409 ? metalc26 metalc ? ? F NA . NA ? ? ? 1_555 M HOH . O ? ? A NA 605 A HOH 1390 1_555 ? ? ? ? ? ? ? 2.353 ? metalc27 metalc ? ? F NA . NA ? ? ? 1_555 M HOH . O ? ? A NA 605 A HOH 1171 1_555 ? ? ? ? ? ? ? 2.407 ? covale3 covale both ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 606 A NAG 607 1_555 ? ? ? ? ? ? ? 1.380 ? covale4 covale both ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 608 A NAG 609 1_555 ? ? ? ? ? ? ? 1.372 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? 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 GLY 4 A . ? GLY 4 A PRO 5 A ? PRO 5 A 1 8.77 2 PHE 32 A . ? PHE 32 A PRO 33 A ? PRO 33 A 1 -14.93 3 LEU 370 A . ? LEU 370 A PRO 371 A ? PRO 371 A 1 7.59 4 GLY 395 A . ? GLY 395 A PRO 396 A ? PRO 396 A 1 6.00 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 4 ? AA3 ? 6 ? AA4 ? 5 ? AA5 ? 5 ? AA6 ? 2 ? AA7 ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? parallel AA1 3 4 ? anti-parallel AA2 1 2 ? parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? parallel AA3 3 4 ? anti-parallel AA3 4 5 ? anti-parallel AA3 5 6 ? anti-parallel AA4 1 2 ? parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA4 4 5 ? anti-parallel AA5 1 2 ? parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA5 4 5 ? anti-parallel AA6 1 2 ? anti-parallel AA7 1 2 ? parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA7 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 ARG A 23 ? ALA A 28 ? ARG A 23 ALA A 28 AA1 2 VAL A 6 ? ILE A 16 ? VAL A 6 ILE A 16 AA1 3 ASN A 44 ? ASN A 51 ? ASN A 44 ASN A 51 AA1 4 SER A 93 ? ASN A 99 ? SER A 93 ASN A 99 AA2 1 ILE A 37 ? ASN A 40 ? ILE A 37 ASN A 40 AA2 2 ARG A 122 ? TYR A 128 ? ARG A 122 TYR A 128 AA2 3 GLY A 105 ? SER A 111 ? GLY A 105 SER A 111 AA2 4 ILE A 64 ? HIS A 67 ? ILE A 64 HIS A 67 AA3 1 ALA A 170 ? ILE A 173 ? ALA A 170 ILE A 173 AA3 2 ILE A 146 ? TRP A 152 ? ILE A 146 TRP A 152 AA3 3 ARG A 198 ? SER A 205 ? ARG A 198 SER A 205 AA3 4 ARG A 246 ? ASN A 252 ? ARG A 246 ASN A 252 AA3 5 MET A 221 ? VAL A 226 ? MET A 221 VAL A 226 AA3 6 VAL A 229 ? VAL A 236 ? VAL A 229 VAL A 236 AA4 1 VAL A 190 ? VAL A 193 ? VAL A 190 VAL A 193 AA4 2 SER A 279 ? TYR A 284 ? SER A 279 TYR A 284 AA4 3 ASN A 259 ? PRO A 266 ? ASN A 259 PRO A 266 AA4 4 TYR A 212 ? ILE A 216 ? TYR A 212 ILE A 216 AA4 5 ILE A 239 ? ILE A 241 ? ILE A 239 ILE A 241 AA5 1 ASP A 328 ? VAL A 331 ? ASP A 328 VAL A 331 AA5 2 VAL A 383 ? ALA A 387 ? VAL A 383 ALA A 387 AA5 3 THR A 438 ? THR A 442 ? THR A 438 THR A 442 AA5 4 PHE A 406 ? GLN A 410 ? PHE A 406 GLN A 410 AA5 5 TRP A 424 ? ARG A 425 ? TRP A 424 ARG A 425 AA6 1 LEU A 334 ? ALA A 337 ? LEU A 334 ALA A 337 AA6 2 ARG A 340 ? ILE A 343 ? ARG A 340 ILE A 343 AA7 1 VAL A 375 ? LEU A 378 ? VAL A 375 LEU A 378 AA7 2 ALA A 464 ? GLU A 469 ? ALA A 464 GLU A 469 AA7 3 GLY A 447 ? CYS A 453 ? GLY A 447 CYS A 453 AA7 4 PRO A 398 ? LEU A 401 ? PRO A 398 LEU A 401 AA7 5 THR A 427 ? SER A 429 ? THR A 427 SER A 429 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 O LEU A 27 ? O LEU A 27 N THR A 12 ? N THR A 12 AA1 2 3 N ILE A 11 ? N ILE A 11 O PHE A 50 ? O PHE A 50 AA1 3 4 N VAL A 49 ? N VAL A 49 O PHE A 94 ? O PHE A 94 AA2 1 2 N GLY A 39 ? N GLY A 39 O TYR A 128 ? O TYR A 128 AA2 2 3 O PHE A 125 ? O PHE A 125 N PHE A 107 ? N PHE A 107 AA2 3 4 O HIS A 110 ? O HIS A 110 N HIS A 65 ? N HIS A 65 AA3 1 2 O LEU A 172 ? O LEU A 172 N ALA A 150 ? N ALA A 150 AA3 2 3 N ILE A 147 ? N ILE A 147 O VAL A 204 ? O VAL A 204 AA3 3 4 N LEU A 203 ? N LEU A 203 O TYR A 247 ? O TYR A 247 AA3 4 5 O VAL A 250 ? O VAL A 250 N THR A 222 ? N THR A 222 AA3 5 6 N ILE A 223 ? N ILE A 223 O LEU A 234 ? O LEU A 234 AA4 1 2 N ILE A 191 ? N ILE A 191 O ILE A 281 ? O ILE A 281 AA4 2 3 O LEU A 282 ? O LEU A 282 N TYR A 260 ? N TYR A 260 AA4 3 4 O ARG A 263 ? O ARG A 263 N SER A 215 ? N SER A 215 AA4 4 5 N PHE A 214 ? N PHE A 214 O ILE A 239 ? O ILE A 239 AA5 1 2 N LEU A 330 ? N LEU A 330 O GLU A 385 ? O GLU A 385 AA5 2 3 N ILE A 384 ? N ILE A 384 O PHE A 441 ? O PHE A 441 AA5 3 4 O ARG A 440 ? O ARG A 440 N ALA A 407 ? N ALA A 407 AA5 4 5 N PHE A 406 ? N PHE A 406 O ARG A 425 ? O ARG A 425 AA6 1 2 N ALA A 337 ? N ALA A 337 O ARG A 340 ? O ARG A 340 AA7 1 2 N ILE A 376 ? N ILE A 376 O VAL A 466 ? O VAL A 466 AA7 2 3 O PHE A 467 ? O PHE A 467 N TRP A 449 ? N TRP A 449 AA7 3 4 O HIS A 452 ? O HIS A 452 N HIS A 400 ? N HIS A 400 AA7 4 5 N PHE A 399 ? N PHE A 399 O VAL A 428 ? O VAL A 428 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A CU 601 ? 5 'binding site for residue CU A 601' AC2 Software A CU 602 ? 6 'binding site for residue CU A 602' AC3 Software A CU 603 ? 5 'binding site for residue CU A 603' AC4 Software A CU 604 ? 4 'binding site for residue CU A 604' AC5 Software A NA 605 ? 6 'binding site for residue NA A 605' AC6 Software A PG6 610 ? 7 'binding site for residue PG6 A 610' AC7 Software A PG6 611 ? 9 'binding site for residue PG6 A 611' AC8 Software A ASN 414 ? 16 'binding site for Poly-Saccharide residues NAG A 608 through NAG A 609 bound to ASN A 414' AC9 Software A ASN 436 ? 10 'binding site for Poly-Saccharide residues NAG A 606 through NAG A 607 bound to ASN A 436' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 HIS A 112 ? HIS A 112 . ? 1_555 ? 2 AC1 5 HIS A 400 ? HIS A 400 . ? 1_555 ? 3 AC1 5 HIS A 402 ? HIS A 402 . ? 1_555 ? 4 AC1 5 HIS A 452 ? HIS A 452 . ? 1_555 ? 5 AC1 5 HOH M . ? HOH A 1125 . ? 1_555 ? 6 AC2 6 HIS A 65 ? HIS A 65 . ? 1_555 ? 7 AC2 6 HIS A 67 ? HIS A 67 . ? 1_555 ? 8 AC2 6 TRP A 108 ? TRP A 108 . ? 1_555 ? 9 AC2 6 HIS A 110 ? HIS A 110 . ? 1_555 ? 10 AC2 6 HIS A 454 ? HIS A 454 . ? 1_555 ? 11 AC2 6 HOH M . ? HOH A 1125 . ? 1_555 ? 12 AC3 5 HIS A 65 ? HIS A 65 . ? 1_555 ? 13 AC3 5 HIS A 67 ? HIS A 67 . ? 1_555 ? 14 AC3 5 HIS A 400 ? HIS A 400 . ? 1_555 ? 15 AC3 5 HIS A 402 ? HIS A 402 . ? 1_555 ? 16 AC3 5 HOH M . ? HOH A 996 . ? 1_555 ? 17 AC4 4 HIS A 397 ? HIS A 397 . ? 1_555 ? 18 AC4 4 CYS A 453 ? CYS A 453 . ? 1_555 ? 19 AC4 4 ILE A 455 ? ILE A 455 . ? 1_555 ? 20 AC4 4 HIS A 458 ? HIS A 458 . ? 1_555 ? 21 AC5 6 VAL A 317 ? VAL A 317 . ? 1_555 ? 22 AC5 6 HOH M . ? HOH A 959 . ? 1_555 ? 23 AC5 6 HOH M . ? HOH A 1144 . ? 1_555 ? 24 AC5 6 HOH M . ? HOH A 1171 . ? 1_555 ? 25 AC5 6 HOH M . ? HOH A 1243 . ? 1_555 ? 26 AC5 6 HOH M . ? HOH A 1390 . ? 1_555 ? 27 AC6 7 ASN A 15 ? ASN A 15 . ? 2_554 ? 28 AC6 7 GLY A 319 ? GLY A 319 . ? 1_555 ? 29 AC6 7 GLN A 320 ? GLN A 320 . ? 1_555 ? 30 AC6 7 ALA A 326 ? ALA A 326 . ? 1_555 ? 31 AC6 7 ASP A 327 ? ASP A 327 . ? 1_555 ? 32 AC6 7 HOH M . ? HOH A 712 . ? 1_555 ? 33 AC6 7 HOH M . ? HOH A 906 . ? 1_555 ? 34 AC7 9 ALA A 335 ? ALA A 335 . ? 1_555 ? 35 AC7 9 PHE A 336 ? PHE A 336 . ? 1_555 ? 36 AC7 9 ALA A 337 ? ALA A 337 . ? 1_555 ? 37 AC7 9 ARG A 340 ? ARG A 340 . ? 1_555 ? 38 AC7 9 PHE A 341 ? PHE A 341 . ? 1_555 ? 39 AC7 9 SER A 342 ? SER A 342 . ? 1_555 ? 40 AC7 9 HOH M . ? HOH A 708 . ? 1_555 ? 41 AC7 9 HOH M . ? HOH A 1219 . ? 1_555 ? 42 AC7 9 HOH M . ? HOH A 1281 . ? 1_455 ? 43 AC8 16 THR A 307 ? THR A 307 . ? 1_555 ? 44 AC8 16 ASN A 414 ? ASN A 414 . ? 1_555 ? 45 AC8 16 THR A 416 ? THR A 416 . ? 1_555 ? 46 AC8 16 PRO A 417 ? PRO A 417 . ? 1_555 ? 47 AC8 16 ASN A 418 ? ASN A 418 . ? 1_555 ? 48 AC8 16 HOH M . ? HOH A 746 . ? 1_555 ? 49 AC8 16 HOH M . ? HOH A 777 . ? 1_555 ? 50 AC8 16 HOH M . ? HOH A 812 . ? 1_555 ? 51 AC8 16 HOH M . ? HOH A 883 . ? 1_555 ? 52 AC8 16 HOH M . ? HOH A 936 . ? 1_555 ? 53 AC8 16 HOH M . ? HOH A 980 . ? 1_555 ? 54 AC8 16 HOH M . ? HOH A 983 . ? 1_555 ? 55 AC8 16 HOH M . ? HOH A 1094 . ? 1_555 ? 56 AC8 16 HOH M . ? HOH A 1123 . ? 1_555 ? 57 AC8 16 HOH M . ? HOH A 1172 . ? 1_555 ? 58 AC8 16 HOH M . ? HOH A 1216 . ? 1_555 ? 59 AC9 10 PRO A 329 ? PRO A 329 . ? 1_555 ? 60 AC9 10 VAL A 331 ? VAL A 331 . ? 1_555 ? 61 AC9 10 GLU A 385 ? GLU A 385 . ? 1_555 ? 62 AC9 10 ASN A 436 ? ASN A 436 . ? 1_555 ? 63 AC9 10 HOH M . ? HOH A 750 . ? 1_555 ? 64 AC9 10 HOH M . ? HOH A 827 . ? 1_555 ? 65 AC9 10 HOH M . ? HOH A 843 . ? 1_555 ? 66 AC9 10 HOH M . ? HOH A 1000 . ? 1_555 ? 67 AC9 10 HOH M . ? HOH A 1004 . ? 1_555 ? 68 AC9 10 HOH M . ? HOH A 1117 . ? 1_555 ? # _atom_sites.entry_id 5E9N _atom_sites.fract_transf_matrix[1][1] 0.018015 _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] 0.012009 _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] 0.009006 _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 CU H N NA O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 1 ? 33.919 -3.245 21.685 1.00 37.97 ? 1 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? 33.942 -4.671 21.344 1.00 29.60 ? 1 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? 32.729 -4.978 20.471 1.00 18.69 ? 1 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? 31.610 -4.535 20.729 1.00 19.95 ? 1 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? 33.911 -5.528 22.601 1.00 39.52 ? 1 ALA A CB 1 ATOM 6 H H1 . ALA A 1 1 ? 33.159 -3.061 22.242 1.00 23.88 ? 1 ALA A H1 1 ATOM 7 H H2 . ALA A 1 1 ? 34.723 -3.017 22.158 1.00 23.88 ? 1 ALA A H2 1 ATOM 8 H H3 . ALA A 1 1 ? 33.863 -2.720 20.883 1.00 23.88 ? 1 ALA A H3 1 ATOM 9 H HA . ALA A 1 1 ? 34.761 -4.873 20.845 1.00 32.00 ? 1 ALA A HA 1 ATOM 10 H HB1 . ALA A 1 1 ? 34.651 -5.285 23.162 1.00 23.88 ? 1 ALA A HB1 1 ATOM 11 H HB2 . ALA A 1 1 ? 33.980 -6.452 22.350 1.00 23.88 ? 1 ALA A HB2 1 ATOM 12 H HB3 . ALA A 1 1 ? 33.084 -5.374 23.063 1.00 23.88 ? 1 ALA A HB3 1 ATOM 13 N N . GLN A 1 2 ? 32.959 -5.757 19.433 1.00 15.93 ? 2 GLN A N 1 ATOM 14 C CA . GLN A 1 2 ? 31.907 -6.260 18.623 1.00 12.81 ? 2 GLN A CA 1 ATOM 15 C C . GLN A 1 2 ? 31.301 -7.450 19.341 1.00 13.13 ? 2 GLN A C 1 ATOM 16 O O . GLN A 1 2 ? 31.931 -8.071 20.180 1.00 16.81 ? 2 GLN A O 1 ATOM 17 C CB . GLN A 1 2 ? 32.431 -6.682 17.275 1.00 12.18 ? 2 GLN A CB 1 ATOM 18 C CG . GLN A 1 2 ? 33.057 -5.481 16.573 1.00 12.33 ? 2 GLN A CG 1 ATOM 19 C CD . GLN A 1 2 ? 33.466 -5.776 15.182 1.00 11.98 ? 2 GLN A CD 1 ATOM 20 O OE1 . GLN A 1 2 ? 33.833 -6.920 14.859 1.00 14.57 ? 2 GLN A OE1 1 ATOM 21 N NE2 . GLN A 1 2 ? 33.461 -4.756 14.333 1.00 11.75 ? 2 GLN A NE2 1 ATOM 22 H H . GLN A 1 2 ? 33.880 -6.064 19.155 1.00 29.33 ? 2 GLN A H 1 ATOM 23 H HA . GLN A 1 2 ? 31.217 -5.578 18.490 1.00 11.72 ? 2 GLN A HA 1 ATOM 24 H HB2 . GLN A 1 2 ? 33.108 -7.368 17.386 1.00 28.83 ? 2 GLN A HB2 1 ATOM 25 H HB3 . GLN A 1 2 ? 31.699 -7.011 16.730 1.00 28.82 ? 2 GLN A HB3 1 ATOM 26 H HG2 . GLN A 1 2 ? 32.412 -4.760 16.557 1.00 27.33 ? 2 GLN A HG2 1 ATOM 27 H HG3 . GLN A 1 2 ? 33.851 -5.203 17.055 1.00 27.37 ? 2 GLN A HG3 1 ATOM 28 H HE21 . GLN A 1 2 ? 33.936 -4.794 13.617 1.00 26.28 ? 2 GLN A HE21 1 ATOM 29 H HE22 . GLN A 1 2 ? 32.985 -4.058 14.493 1.00 26.29 ? 2 GLN A HE22 1 ATOM 30 N N . ILE A 1 3 ? 30.048 -7.719 19.072 1.00 11.10 ? 3 ILE A N 1 ATOM 31 C CA . ILE A 1 3 ? 29.347 -8.863 19.671 1.00 11.24 ? 3 ILE A CA 1 ATOM 32 C C . ILE A 1 3 ? 28.828 -9.737 18.533 1.00 10.42 ? 3 ILE A C 1 ATOM 33 O O . ILE A 1 3 ? 28.626 -9.301 17.425 1.00 11.89 ? 3 ILE A O 1 ATOM 34 C CB . ILE A 1 3 ? 28.224 -8.403 20.570 1.00 11.81 ? 3 ILE A CB 1 ATOM 35 C CG1 . ILE A 1 3 ? 27.135 -7.616 19.833 1.00 11.11 ? 3 ILE A CG1 1 ATOM 36 C CG2 . ILE A 1 3 ? 28.813 -7.610 21.732 1.00 14.98 ? 3 ILE A CG2 1 ATOM 37 C CD1 . ILE A 1 3 ? 25.977 -7.228 20.678 1.00 13.27 ? 3 ILE A CD1 1 ATOM 38 H H . ILE A 1 3 ? 29.484 -7.179 18.433 1.00 11.72 ? 3 ILE A H 1 ATOM 39 H HA . ILE A 1 3 ? 29.963 -9.405 20.206 1.00 13.97 ? 3 ILE A HA 1 ATOM 40 H HB . ILE A 1 3 ? 27.806 -9.196 20.941 1.00 11.72 ? 3 ILE A HB 1 ATOM 41 H HG12 . ILE A 1 3 ? 27.522 -6.798 19.484 1.00 11.72 ? 3 ILE A HG12 1 ATOM 42 H HG13 . ILE A 1 3 ? 26.790 -8.152 19.103 1.00 11.72 ? 3 ILE A HG13 1 ATOM 43 H HG21 . ILE A 1 3 ? 29.600 -8.056 22.054 1.00 13.97 ? 3 ILE A HG21 1 ATOM 44 H HG22 . ILE A 1 3 ? 28.162 -7.555 22.435 1.00 13.97 ? 3 ILE A HG22 1 ATOM 45 H HG23 . ILE A 1 3 ? 29.038 -6.729 21.425 1.00 13.97 ? 3 ILE A HG23 1 ATOM 46 H HD11 . ILE A 1 3 ? 25.761 -7.957 21.265 1.00 13.71 ? 3 ILE A HD11 1 ATOM 47 H HD12 . ILE A 1 3 ? 25.228 -7.033 20.109 1.00 13.71 ? 3 ILE A HD12 1 ATOM 48 H HD13 . ILE A 1 3 ? 26.210 -6.452 21.191 1.00 13.71 ? 3 ILE A HD13 1 ATOM 49 N N . GLY A 1 4 ? 28.586 -10.993 18.843 1.00 11.91 ? 4 GLY A N 1 ATOM 50 C CA . GLY A 1 4 ? 28.103 -11.941 17.889 1.00 11.75 ? 4 GLY A CA 1 ATOM 51 C C . GLY A 1 4 ? 29.178 -12.889 17.388 1.00 12.09 ? 4 GLY A C 1 ATOM 52 O O . GLY A 1 4 ? 30.333 -12.733 17.737 1.00 13.84 ? 4 GLY A O 1 ATOM 53 H H . GLY A 1 4 ? 28.720 -11.382 19.766 1.00 13.97 ? 4 GLY A H 1 ATOM 54 H HA2 . GLY A 1 4 ? 27.409 -12.466 18.316 1.00 11.97 ? 4 GLY A HA2 1 ATOM 55 H HA3 . GLY A 1 4 ? 27.712 -11.481 17.131 1.00 11.97 ? 4 GLY A HA3 1 ATOM 56 N N . PRO A 1 5 ? 28.793 -13.844 16.564 1.00 11.81 ? 5 PRO A N 1 ATOM 57 C CA . PRO A 1 5 ? 27.475 -13.941 15.969 1.00 11.22 ? 5 PRO A CA 1 ATOM 58 C C . PRO A 1 5 ? 26.402 -14.503 16.893 1.00 10.55 ? 5 PRO A C 1 ATOM 59 O O . PRO A 1 5 ? 25.229 -14.357 16.594 1.00 11.04 ? 5 PRO A O 1 ATOM 60 C CB . PRO A 1 5 ? 27.718 -14.849 14.775 1.00 12.20 ? 5 PRO A CB 1 ATOM 61 C CG . PRO A 1 5 ? 28.898 -15.708 15.163 1.00 14.54 ? 5 PRO A CG 1 ATOM 62 C CD . PRO A 1 5 ? 29.768 -14.726 15.899 1.00 12.98 ? 5 PRO A CD 1 ATOM 63 H HA . PRO A 1 5 ? 27.183 -13.069 15.632 1.00 11.97 ? 5 PRO A HA 1 ATOM 64 H HB2 . PRO A 1 5 ? 26.936 -15.397 14.608 1.00 11.94 ? 5 PRO A HB2 1 ATOM 65 H HB3 . PRO A 1 5 ? 27.931 -14.311 13.997 1.00 11.94 ? 5 PRO A HB3 1 ATOM 66 H HG2 . PRO A 1 5 ? 28.612 -16.430 15.744 1.00 14.09 ? 5 PRO A HG2 1 ATOM 67 H HG3 . PRO A 1 5 ? 29.343 -16.046 14.369 1.00 14.09 ? 5 PRO A HG3 1 ATOM 68 H HD2 . PRO A 1 5 ? 30.314 -15.184 16.557 1.00 13.03 ? 5 PRO A HD2 1 ATOM 69 H HD3 . PRO A 1 5 ? 30.311 -14.220 15.274 1.00 13.03 ? 5 PRO A HD3 1 ATOM 70 N N . VAL A 1 6 ? 26.804 -15.127 18.008 1.00 11.43 ? 6 VAL A N 1 ATOM 71 C CA . VAL A 1 6 ? 25.861 -15.553 19.026 1.00 11.72 ? 6 VAL A CA 1 ATOM 72 C C . VAL A 1 6 ? 25.929 -14.573 20.187 1.00 11.95 ? 6 VAL A C 1 ATOM 73 O O . VAL A 1 6 ? 26.985 -14.424 20.784 1.00 13.88 ? 6 VAL A O 1 ATOM 74 C CB . VAL A 1 6 ? 26.140 -16.981 19.475 1.00 13.22 ? 6 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 6 ? 25.174 -17.362 20.577 1.00 14.95 ? 6 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 6 ? 26.030 -17.945 18.316 1.00 15.15 ? 6 VAL A CG2 1 ATOM 77 H H . VAL A 1 6 ? 27.762 -15.355 18.230 1.00 11.32 ? 6 VAL A H 1 ATOM 78 H HA . VAL A 1 6 ? 24.954 -15.537 18.661 1.00 14.54 ? 6 VAL A HA 1 ATOM 79 H HB . VAL A 1 6 ? 27.051 -17.034 19.834 1.00 13.16 ? 6 VAL A HB 1 ATOM 80 H HG11 . VAL A 1 6 ? 25.505 -17.030 21.415 1.00 14.54 ? 6 VAL A HG11 1 ATOM 81 H HG12 . VAL A 1 6 ? 25.103 -18.319 20.619 1.00 14.54 ? 6 VAL A HG12 1 ATOM 82 H HG13 . VAL A 1 6 ? 24.312 -16.982 20.392 1.00 14.54 ? 6 VAL A HG13 1 ATOM 83 H HG21 . VAL A 1 6 ? 25.165 -17.848 17.910 1.00 14.54 ? 6 VAL A HG21 1 ATOM 84 H HG22 . VAL A 1 6 ? 26.141 -18.842 18.640 1.00 14.54 ? 6 VAL A HG22 1 ATOM 85 H HG23 . VAL A 1 6 ? 26.716 -17.747 17.674 1.00 14.54 ? 6 VAL A HG23 1 ATOM 86 N N . THR A 1 7 ? 24.851 -13.876 20.467 1.00 11.03 ? 7 THR A N 1 ATOM 87 C CA . THR A 1 7 ? 24.921 -12.883 21.509 1.00 11.20 ? 7 THR A CA 1 ATOM 88 C C . THR A 1 7 ? 23.504 -12.586 22.008 1.00 10.70 ? 7 THR A C 1 ATOM 89 O O . THR A 1 7 ? 22.561 -12.690 21.277 1.00 11.29 ? 7 THR A O 1 ATOM 90 C CB . THR A 1 7 ? 25.568 -11.566 20.970 1.00 11.76 ? 7 THR A CB 1 ATOM 91 O OG1 . THR A 1 7 ? 25.740 -10.656 22.033 1.00 12.95 ? 7 THR A OG1 1 ATOM 92 C CG2 . THR A 1 7 ? 24.766 -10.970 19.842 1.00 12.39 ? 7 THR A CG2 1 ATOM 93 H H . THR A 1 7 ? 23.954 -13.968 20.010 1.00 14.54 ? 7 THR A H 1 ATOM 94 H HA . THR A 1 7 ? 25.451 -13.212 22.265 1.00 13.45 ? 7 THR A HA 1 ATOM 95 H HB . THR A 1 7 ? 26.445 -11.780 20.614 1.00 11.98 ? 7 THR A HB 1 ATOM 96 H HG21 . THR A 1 7 ? 24.335 -11.659 19.332 1.00 12.63 ? 7 THR A HG21 1 ATOM 97 H HG22 . THR A 1 7 ? 25.344 -10.470 19.261 1.00 12.63 ? 7 THR A HG22 1 ATOM 98 H HG23 . THR A 1 7 ? 24.096 -10.379 20.194 1.00 12.63 ? 7 THR A HG23 1 ATOM 99 N N . ASP A 1 8 ? 23.444 -12.100 23.237 1.00 11.27 ? 8 ASP A N 1 ATOM 100 C CA . ASP A 1 8 ? 22.267 -11.433 23.734 1.00 11.77 ? 8 ASP A CA 1 ATOM 101 C C . ASP A 1 8 ? 22.334 -9.983 23.264 1.00 11.45 ? 8 ASP A C 1 ATOM 102 O O . ASP A 1 8 ? 23.400 -9.449 23.009 1.00 13.46 ? 8 ASP A O 1 ATOM 103 C CB . ASP A 1 8 ? 22.207 -11.473 25.258 1.00 14.10 ? 8 ASP A CB 1 ATOM 104 C CG . ASP A 1 8 ? 22.097 -12.856 25.812 1.00 16.22 ? 8 ASP A CG 1 ATOM 105 O OD1 . ASP A 1 8 ? 21.686 -13.807 25.096 1.00 16.63 ? 8 ASP A OD1 1 ATOM 106 O OD2 . ASP A 1 8 ? 22.362 -12.968 27.034 1.00 20.69 ? 8 ASP A OD2 1 ATOM 107 H H . ASP A 1 8 ? 24.200 -12.154 23.904 1.00 13.45 ? 8 ASP A H 1 ATOM 108 H HA . ASP A 1 8 ? 21.459 -11.852 23.375 1.00 11.63 ? 8 ASP A HA 1 ATOM 109 H HB2 . ASP A 1 8 ? 23.013 -11.070 25.617 1.00 13.45 ? 8 ASP A HB2 1 ATOM 110 H HB3 . ASP A 1 8 ? 21.430 -10.972 25.553 1.00 13.45 ? 8 ASP A HB3 1 ATOM 111 N N . LEU A 1 9 ? 21.173 -9.369 23.202 1.00 10.96 ? 9 LEU A N 1 ATOM 112 C CA . LEU A 1 9 ? 21.063 -7.961 22.854 1.00 10.41 ? 9 LEU A CA 1 ATOM 113 C C . LEU A 1 9 ? 19.932 -7.399 23.658 1.00 10.56 ? 9 LEU A C 1 ATOM 114 O O . LEU A 1 9 ? 18.765 -7.720 23.411 1.00 11.58 ? 9 LEU A O 1 ATOM 115 C CB . LEU A 1 9 ? 20.813 -7.789 21.371 1.00 10.95 ? 9 LEU A CB 1 ATOM 116 C CG . LEU A 1 9 ? 20.897 -6.341 20.885 1.00 10.82 ? 9 LEU A CG 1 ATOM 117 C CD1 . LEU A 1 9 ? 22.330 -5.824 20.912 1.00 13.98 ? 9 LEU A CD1 1 ATOM 118 C CD2 . LEU A 1 9 ? 20.328 -6.252 19.467 1.00 11.75 ? 9 LEU A CD2 1 ATOM 119 H H . LEU A 1 9 ? 20.287 -9.819 23.384 1.00 11.63 ? 9 LEU A H 1 ATOM 120 H HA . LEU A 1 9 ? 21.886 -7.488 23.093 1.00 12.18 ? 9 LEU A HA 1 ATOM 121 H HB2 . LEU A 1 9 ? 21.480 -8.301 20.886 1.00 12.17 ? 9 LEU A HB2 1 ATOM 122 H HB3 . LEU A 1 9 ? 19.929 -8.126 21.157 1.00 12.17 ? 9 LEU A HB3 1 ATOM 123 H HG . LEU A 1 9 ? 20.360 -5.772 21.458 1.00 11.07 ? 9 LEU A HG 1 ATOM 124 H HD11 . LEU A 1 9 ? 22.585 -5.657 21.822 1.00 12.18 ? 9 LEU A HD11 1 ATOM 125 H HD12 . LEU A 1 9 ? 22.379 -5.010 20.406 1.00 12.18 ? 9 LEU A HD12 1 ATOM 126 H HD13 . LEU A 1 9 ? 22.910 -6.485 20.525 1.00 12.18 ? 9 LEU A HD13 1 ATOM 127 H HD21 . LEU A 1 9 ? 20.836 -6.827 18.890 1.00 12.17 ? 9 LEU A HD21 1 ATOM 128 H HD22 . LEU A 1 9 ? 20.389 -5.344 19.161 1.00 12.17 ? 9 LEU A HD22 1 ATOM 129 H HD23 . LEU A 1 9 ? 19.409 -6.531 19.480 1.00 12.17 ? 9 LEU A HD23 1 ATOM 130 N N . HIS A 1 10 ? 20.263 -6.607 24.649 1.00 10.54 ? 10 HIS A N 1 ATOM 131 C CA . HIS A 1 10 ? 19.242 -6.027 25.511 1.00 11.06 ? 10 HIS A CA 1 ATOM 132 C C . HIS A 1 10 ? 18.762 -4.730 24.956 1.00 9.56 ? 10 HIS A C 1 ATOM 133 O O . HIS A 1 10 ? 19.573 -3.880 24.592 1.00 10.37 ? 10 HIS A O 1 ATOM 134 C CB . HIS A 1 10 ? 19.784 -5.814 26.901 1.00 13.58 ? 10 HIS A CB 1 ATOM 135 C CG . HIS A 1 10 ? 19.926 -7.102 27.620 1.00 20.55 ? 10 HIS A CG 1 ATOM 136 N ND1 . HIS A 1 10 ? 18.927 -7.636 28.414 1.00 19.59 ? 10 HIS A ND1 1 ATOM 137 C CD2 . HIS A 1 10 ? 20.864 -8.053 27.510 1.00 24.19 ? 10 HIS A CD2 1 ATOM 138 C CE1 . HIS A 1 10 ? 19.288 -8.833 28.830 1.00 24.53 ? 10 HIS A CE1 1 ATOM 139 N NE2 . HIS A 1 10 ? 20.489 -9.094 28.339 1.00 21.97 ? 10 HIS A NE2 1 ATOM 140 H H . HIS A 1 10 ? 21.209 -6.344 24.884 1.00 12.18 ? 10 HIS A H 1 ATOM 141 H HA . HIS A 1 10 ? 18.480 -6.639 25.581 1.00 10.30 ? 10 HIS A HA 1 ATOM 142 H HB2 . HIS A 1 10 ? 20.655 -5.391 26.853 1.00 12.18 ? 10 HIS A HB2 1 ATOM 143 H HB3 . HIS A 1 10 ? 19.169 -5.257 27.405 1.00 12.18 ? 10 HIS A HB3 1 ATOM 144 H HD1 . HIS A 1 10 ? 18.189 -7.242 28.615 1.00 19.70 ? 10 HIS A HD1 1 ATOM 145 H HD2 . HIS A 1 10 ? 21.667 -7.982 27.046 1.00 19.70 ? 10 HIS A HD2 1 ATOM 146 H HE1 . HIS A 1 10 ? 18.814 -9.371 29.422 1.00 19.70 ? 10 HIS A HE1 1 ATOM 147 H HE2 . HIS A 1 10 ? 20.934 -9.819 28.464 1.00 19.70 ? 10 HIS A HE2 1 ATOM 148 N N . ILE A 1 11 ? 17.460 -4.552 24.944 1.00 9.52 ? 11 ILE A N 1 ATOM 149 C CA . ILE A 1 11 ? 16.797 -3.349 24.468 1.00 9.26 ? 11 ILE A CA 1 ATOM 150 C C . ILE A 1 11 ? 16.229 -2.678 25.679 1.00 9.85 ? 11 ILE A C 1 ATOM 151 O O . ILE A 1 11 ? 15.380 -3.227 26.358 1.00 10.90 ? 11 ILE A O 1 ATOM 152 C CB . ILE A 1 11 ? 15.723 -3.677 23.441 1.00 9.84 ? 11 ILE A CB 1 ATOM 153 C CG1 . ILE A 1 11 ? 16.237 -4.625 22.364 1.00 9.88 ? 11 ILE A CG1 1 ATOM 154 C CG2 . ILE A 1 11 ? 15.190 -2.394 22.865 1.00 10.03 ? 11 ILE A CG2 1 ATOM 155 C CD1 . ILE A 1 11 ? 17.507 -4.184 21.670 1.00 9.85 ? 11 ILE A CD1 1 ATOM 156 H H . ILE A 1 11 ? 16.802 -5.245 25.271 1.00 10.30 ? 11 ILE A H 1 ATOM 157 H HA . ILE A 1 11 ? 17.450 -2.757 24.048 1.00 9.97 ? 11 ILE A HA 1 ATOM 158 H HB . ILE A 1 11 ? 14.994 -4.123 23.900 1.00 10.14 ? 11 ILE A HB 1 ATOM 159 H HG12 . ILE A 1 11 ? 16.408 -5.492 22.765 1.00 10.07 ? 11 ILE A HG12 1 ATOM 160 H HG13 . ILE A 1 11 ? 15.553 -4.718 21.683 1.00 10.07 ? 11 ILE A HG13 1 ATOM 161 H HG21 . ILE A 1 11 ? 14.579 -2.001 23.491 1.00 9.97 ? 11 ILE A HG21 1 ATOM 162 H HG22 . ILE A 1 11 ? 14.730 -2.586 22.044 1.00 9.98 ? 11 ILE A HG22 1 ATOM 163 H HG23 . ILE A 1 11 ? 15.918 -1.792 22.694 1.00 9.97 ? 11 ILE A HG23 1 ATOM 164 H HD11 . ILE A 1 11 ? 17.402 -3.279 21.365 1.00 10.46 ? 11 ILE A HD11 1 ATOM 165 H HD12 . ILE A 1 11 ? 17.669 -4.762 20.923 1.00 10.46 ? 11 ILE A HD12 1 ATOM 166 H HD13 . ILE A 1 11 ? 18.243 -4.238 22.282 1.00 10.46 ? 11 ILE A HD13 1 ATOM 167 N N . THR A 1 12 ? 16.722 -1.492 25.974 1.00 9.71 ? 12 THR A N 1 ATOM 168 C CA . THR A 1 12 ? 16.376 -0.775 27.159 1.00 9.87 ? 12 THR A CA 1 ATOM 169 C C . THR A 1 12 ? 16.069 0.674 26.865 1.00 9.44 ? 12 THR A C 1 ATOM 170 O O . THR A 1 12 ? 16.408 1.209 25.828 1.00 10.33 ? 12 THR A O 1 ATOM 171 C CB . THR A 1 12 ? 17.514 -0.784 28.176 1.00 11.42 ? 12 THR A CB 1 ATOM 172 O OG1 . THR A 1 12 ? 18.645 -0.122 27.619 1.00 12.96 ? 12 THR A OG1 1 ATOM 173 C CG2 . THR A 1 12 ? 17.907 -2.183 28.608 1.00 13.13 ? 12 THR A CG2 1 ATOM 174 H H . THR A 1 12 ? 17.381 -0.996 25.391 1.00 9.97 ? 12 THR A H 1 ATOM 175 H HA . THR A 1 12 ? 15.585 -1.170 27.582 1.00 10.23 ? 12 THR A HA 1 ATOM 176 H HB . THR A 1 12 ? 17.232 -0.304 28.970 1.00 11.32 ? 12 THR A HB 1 ATOM 177 H HG21 . THR A 1 12 ? 17.150 -2.633 28.987 1.00 12.78 ? 12 THR A HG21 1 ATOM 178 H HG22 . THR A 1 12 ? 18.604 -2.137 29.267 1.00 12.78 ? 12 THR A HG22 1 ATOM 179 H HG23 . THR A 1 12 ? 18.225 -2.685 27.854 1.00 12.78 ? 12 THR A HG23 1 ATOM 180 N N . ASN A 1 13 ? 15.440 1.320 27.831 1.00 9.89 ? 13 ASN A N 1 ATOM 181 C CA . ASN A 1 13 ? 15.349 2.751 27.835 1.00 9.56 ? 13 ASN A CA 1 ATOM 182 C C . ASN A 1 13 ? 16.433 3.352 28.683 1.00 10.16 ? 13 ASN A C 1 ATOM 183 O O . ASN A 1 13 ? 16.782 2.830 29.737 1.00 11.78 ? 13 ASN A O 1 ATOM 184 C CB . ASN A 1 13 ? 14.010 3.183 28.432 1.00 10.17 ? 13 ASN A CB 1 ATOM 185 C CG . ASN A 1 13 ? 12.835 2.741 27.641 1.00 9.57 ? 13 ASN A CG 1 ATOM 186 O OD1 . ASN A 1 13 ? 11.956 2.048 28.142 1.00 10.73 ? 13 ASN A OD1 1 ATOM 187 N ND2 . ASN A 1 13 ? 12.777 3.148 26.393 1.00 10.32 ? 13 ASN A ND2 1 ATOM 188 H H . ASN A 1 13 ? 14.993 0.871 28.618 1.00 10.23 ? 13 ASN A H 1 ATOM 189 H HA . ASN A 1 13 ? 15.419 3.098 26.926 1.00 9.89 ? 13 ASN A HA 1 ATOM 190 H HB2 . ASN A 1 13 ? 13.930 2.802 29.319 1.00 10.23 ? 13 ASN A HB2 1 ATOM 191 H HB3 . ASN A 1 13 ? 13.984 4.151 28.485 1.00 10.23 ? 13 ASN A HB3 1 ATOM 192 H HD21 . ASN A 1 13 ? 12.074 2.807 25.802 1.00 9.89 ? 13 ASN A HD21 1 ATOM 193 H HD22 . ASN A 1 13 ? 13.425 3.798 26.052 1.00 9.89 ? 13 ASN A HD22 1 ATOM 194 N N . ALA A 1 14 ? 16.955 4.470 28.254 1.00 9.68 ? 14 ALA A N 1 ATOM 195 C CA . ALA A 1 14 ? 17.961 5.194 29.012 1.00 10.47 ? 14 ALA A CA 1 ATOM 196 C C . ALA A 1 14 ? 17.997 6.607 28.522 1.00 10.18 ? 14 ALA A C 1 ATOM 197 O O . ALA A 1 14 ? 17.586 6.902 27.412 1.00 11.01 ? 14 ALA A O 1 ATOM 198 C CB . ALA A 1 14 ? 19.336 4.583 28.868 1.00 13.15 ? 14 ALA A CB 1 ATOM 199 H H . ALA A 1 14 ? 16.708 4.908 27.378 1.00 9.89 ? 14 ALA A H 1 ATOM 200 H HA . ALA A 1 14 ? 17.720 5.204 29.963 1.00 13.40 ? 14 ALA A HA 1 ATOM 201 H HB1 . ALA A 1 14 ? 19.311 3.679 29.191 1.00 13.05 ? 14 ALA A HB1 1 ATOM 202 H HB2 . ALA A 1 14 ? 19.962 5.097 29.383 1.00 13.05 ? 14 ALA A HB2 1 ATOM 203 H HB3 . ALA A 1 14 ? 19.588 4.593 27.942 1.00 13.05 ? 14 ALA A HB3 1 ATOM 204 N N . ASN A 1 15 ? 18.522 7.485 29.341 1.00 10.69 ? 15 ASN A N 1 ATOM 205 C CA . ASN A 1 15 ? 18.815 8.838 28.893 1.00 11.17 ? 15 ASN A CA 1 ATOM 206 C C . ASN A 1 15 ? 20.165 8.888 28.202 1.00 11.58 ? 15 ASN A C 1 ATOM 207 O O . ASN A 1 15 ? 21.117 8.268 28.673 1.00 13.13 ? 15 ASN A O 1 ATOM 208 C CB . ASN A 1 15 ? 18.892 9.748 30.098 1.00 12.70 ? 15 ASN A CB 1 ATOM 209 C CG . ASN A 1 15 ? 17.578 9.874 30.735 1.00 12.80 ? 15 ASN A CG 1 ATOM 210 O OD1 . ASN A 1 15 ? 16.582 10.204 30.091 1.00 13.55 ? 15 ASN A OD1 1 ATOM 211 N ND2 . ASN A 1 15 ? 17.526 9.565 32.049 1.00 15.04 ? 15 ASN A ND2 1 ATOM 212 H H . ASN A 1 15 ? 18.760 7.293 30.304 1.00 13.40 ? 15 ASN A H 1 ATOM 213 H HA . ASN A 1 15 ? 18.119 9.164 28.288 1.00 10.71 ? 15 ASN A HA 1 ATOM 214 H HB2 . ASN A 1 15 ? 19.524 9.387 30.739 1.00 13.40 ? 15 ASN A HB2 1 ATOM 215 H HB3 . ASN A 1 15 ? 19.174 10.633 29.815 1.00 13.40 ? 15 ASN A HB3 1 ATOM 216 H HD21 . ASN A 1 15 ? 16.748 9.092 32.410 1.00 13.40 ? 15 ASN A HD21 1 ATOM 217 H HD22 . ASN A 1 15 ? 18.267 9.812 32.642 1.00 13.40 ? 15 ASN A HD22 1 ATOM 218 N N . ILE A 1 16 ? 20.213 9.660 27.126 1.00 10.74 ? 16 ILE A N 1 ATOM 219 C CA . ILE A 1 16 ? 21.465 9.917 26.452 1.00 10.87 ? 16 ILE A CA 1 ATOM 220 C C . ILE A 1 16 ? 21.506 11.368 26.053 1.00 10.59 ? 16 ILE A C 1 ATOM 221 O O . ILE A 1 16 ? 20.482 12.022 25.945 1.00 11.93 ? 16 ILE A O 1 ATOM 222 C CB . ILE A 1 16 ? 21.696 9.023 25.240 1.00 12.28 ? 16 ILE A CB 1 ATOM 223 C CG1 . ILE A 1 16 ? 20.606 9.156 24.197 1.00 12.46 ? 16 ILE A CG1 1 ATOM 224 C CG2 . ILE A 1 16 ? 21.988 7.618 25.652 1.00 15.29 ? 16 ILE A CG2 1 ATOM 225 C CD1 . ILE A 1 16 ? 20.983 8.494 22.890 1.00 14.83 ? 16 ILE A CD1 1 ATOM 226 H H . ILE A 1 16 ? 19.413 10.110 26.704 1.00 10.71 ? 16 ILE A H 1 ATOM 227 H HA . ILE A 1 16 ? 22.209 9.773 27.073 1.00 13.12 ? 16 ILE A HA 1 ATOM 228 H HB . ILE A 1 16 ? 22.507 9.346 24.819 1.00 13.57 ? 16 ILE A HB 1 ATOM 229 H HG12 . ILE A 1 16 ? 19.799 8.730 24.527 1.00 12.26 ? 16 ILE A HG12 1 ATOM 230 H HG13 . ILE A 1 16 ? 20.436 10.092 24.014 1.00 12.26 ? 16 ILE A HG13 1 ATOM 231 H HG21 . ILE A 1 16 ? 22.626 7.625 26.369 1.00 13.12 ? 16 ILE A HG21 1 ATOM 232 H HG22 . ILE A 1 16 ? 22.348 7.137 24.903 1.00 13.12 ? 16 ILE A HG22 1 ATOM 233 H HG23 . ILE A 1 16 ? 21.173 7.204 25.945 1.00 13.12 ? 16 ILE A HG23 1 ATOM 234 H HD11 . ILE A 1 16 ? 21.884 8.735 22.664 1.00 13.57 ? 16 ILE A HD11 1 ATOM 235 H HD12 . ILE A 1 16 ? 20.386 8.791 22.206 1.00 13.57 ? 16 ILE A HD12 1 ATOM 236 H HD13 . ILE A 1 16 ? 20.915 7.542 22.991 1.00 13.57 ? 16 ILE A HD13 1 ATOM 237 N N . SER A 1 17 ? 22.718 11.858 25.800 1.00 11.09 ? 17 SER A N 1 ATOM 238 C CA . SER A 1 17 ? 22.908 13.235 25.440 1.00 11.29 ? 17 SER A CA 1 ATOM 239 C C . SER A 1 17 ? 23.980 13.329 24.357 1.00 11.41 ? 17 SER A C 1 ATOM 240 O O . SER A 1 17 ? 25.034 13.902 24.559 1.00 14.17 ? 17 SER A O 1 ATOM 241 C CB . SER A 1 17 ? 23.334 14.060 26.661 1.00 13.73 ? 17 SER A CB 1 ATOM 242 O OG A SER A 1 17 ? 24.322 13.492 27.394 0.33 11.79 ? 17 SER A OG 1 ATOM 243 O OG B SER A 1 17 ? 22.520 13.957 27.747 0.33 13.48 ? 17 SER A OG 1 ATOM 244 O OG C SER A 1 17 ? 23.404 15.407 26.396 0.33 15.57 ? 17 SER A OG 1 ATOM 245 H H . SER A 1 17 ? 23.571 11.317 25.844 1.00 13.12 ? 17 SER A H 1 ATOM 246 H HA . SER A 1 17 ? 22.081 13.615 25.083 1.00 13.73 ? 17 SER A HA 1 ATOM 247 N N . PRO A 1 18 ? 23.716 12.790 23.183 1.00 10.56 ? 18 PRO A N 1 ATOM 248 C CA . PRO A 1 18 ? 24.766 12.675 22.141 1.00 11.41 ? 18 PRO A CA 1 ATOM 249 C C . PRO A 1 18 ? 25.200 14.005 21.548 1.00 10.95 ? 18 PRO A C 1 ATOM 250 O O . PRO A 1 18 ? 26.230 14.047 20.900 1.00 11.98 ? 18 PRO A O 1 ATOM 251 C CB . PRO A 1 18 ? 24.125 11.754 21.133 1.00 12.24 ? 18 PRO A CB 1 ATOM 252 C CG . PRO A 1 18 ? 22.688 11.976 21.311 1.00 12.51 ? 18 PRO A CG 1 ATOM 253 C CD . PRO A 1 18 ? 22.475 12.134 22.778 1.00 10.48 ? 18 PRO A CD 1 ATOM 254 H HA . PRO A 1 18 ? 25.554 12.229 22.515 1.00 11.33 ? 18 PRO A HA 1 ATOM 255 H HB2 . PRO A 1 18 ? 24.403 11.992 20.235 1.00 11.58 ? 18 PRO A HB2 1 ATOM 256 H HB3 . PRO A 1 18 ? 24.358 10.834 21.335 1.00 11.58 ? 18 PRO A HB3 1 ATOM 257 H HG2 . PRO A 1 18 ? 22.424 12.782 20.840 1.00 12.22 ? 18 PRO A HG2 1 ATOM 258 H HG3 . PRO A 1 18 ? 22.197 11.209 20.977 1.00 12.22 ? 18 PRO A HG3 1 ATOM 259 H HD2 . PRO A 1 18 ? 21.709 12.704 22.949 1.00 13.74 ? 18 PRO A HD2 1 ATOM 260 H HD3 . PRO A 1 18 ? 22.387 11.268 23.205 1.00 13.74 ? 18 PRO A HD3 1 ATOM 261 N N . ASP A 1 19 ? 24.391 15.040 21.750 1.00 11.34 ? 19 ASP A N 1 ATOM 262 C CA . ASP A 1 19 ? 24.657 16.375 21.312 1.00 11.66 ? 19 ASP A CA 1 ATOM 263 C C . ASP A 1 19 ? 24.550 17.360 22.464 1.00 11.96 ? 19 ASP A C 1 ATOM 264 O O . ASP A 1 19 ? 24.402 18.555 22.244 1.00 13.86 ? 19 ASP A O 1 ATOM 265 C CB . ASP A 1 19 ? 23.678 16.789 20.239 1.00 12.25 ? 19 ASP A CB 1 ATOM 266 C CG . ASP A 1 19 ? 22.252 16.754 20.701 1.00 12.38 ? 19 ASP A CG 1 ATOM 267 O OD1 . ASP A 1 19 ? 21.971 16.266 21.813 1.00 11.68 ? 19 ASP A OD1 1 ATOM 268 O OD2 . ASP A 1 19 ? 21.428 17.289 19.923 1.00 14.92 ? 19 ASP A OD2 1 ATOM 269 H H . ASP A 1 19 ? 23.502 14.966 22.221 1.00 12.07 ? 19 ASP A H 1 ATOM 270 H HA . ASP A 1 19 ? 25.564 16.437 20.957 1.00 11.55 ? 19 ASP A HA 1 ATOM 271 H HB2 . ASP A 1 19 ? 23.880 17.691 19.944 1.00 12.04 ? 19 ASP A HB2 1 ATOM 272 H HB3 . ASP A 1 19 ? 23.760 16.176 19.492 1.00 12.04 ? 19 ASP A HB3 1 ATOM 273 N N . GLY A 1 20 ? 24.661 16.872 23.676 1.00 13.38 ? 20 GLY A N 1 ATOM 274 C CA . GLY A 1 20 ? 24.595 17.704 24.853 1.00 14.96 ? 20 GLY A CA 1 ATOM 275 C C . GLY A 1 20 ? 23.190 17.908 25.374 1.00 14.62 ? 20 GLY A C 1 ATOM 276 O O . GLY A 1 20 ? 23.027 18.487 26.422 1.00 19.63 ? 20 GLY A O 1 ATOM 277 H H . GLY A 1 20 ? 24.818 15.901 23.893 1.00 12.07 ? 20 GLY A H 1 ATOM 278 H HA2 . GLY A 1 20 ? 25.117 17.290 25.558 1.00 15.57 ? 20 GLY A HA2 1 ATOM 279 H HA3 . GLY A 1 20 ? 24.982 18.574 24.669 1.00 15.57 ? 20 GLY A HA3 1 ATOM 280 N N . PHE A 1 21 ? 22.174 17.455 24.668 1.00 13.76 ? 21 PHE A N 1 ATOM 281 C CA . PHE A 1 21 ? 20.780 17.597 25.102 1.00 13.27 ? 21 PHE A CA 1 ATOM 282 C C . PHE A 1 21 ? 20.327 16.233 25.588 1.00 12.90 ? 21 PHE A C 1 ATOM 283 O O . PHE A 1 21 ? 20.397 15.254 24.877 1.00 12.91 ? 21 PHE A O 1 ATOM 284 C CB . PHE A 1 21 ? 19.911 18.054 23.925 1.00 13.12 ? 21 PHE A CB 1 ATOM 285 C CG . PHE A 1 21 ? 18.442 18.188 24.243 1.00 13.74 ? 21 PHE A CG 1 ATOM 286 C CD1 . PHE A 1 21 ? 17.559 17.157 24.017 1.00 14.52 ? 21 PHE A CD1 1 ATOM 287 C CD2 . PHE A 1 21 ? 17.976 19.350 24.775 1.00 19.78 ? 21 PHE A CD2 1 ATOM 288 C CE1 . PHE A 1 21 ? 16.230 17.284 24.293 1.00 15.98 ? 21 PHE A CE1 1 ATOM 289 C CE2 . PHE A 1 21 ? 16.645 19.509 25.055 1.00 23.45 ? 21 PHE A CE2 1 ATOM 290 C CZ . PHE A 1 21 ? 15.760 18.457 24.812 1.00 22.39 ? 21 PHE A CZ 1 ATOM 291 H H . PHE A 1 21 ? 22.256 16.973 23.786 1.00 13.66 ? 21 PHE A H 1 ATOM 292 H HA . PHE A 1 21 ? 20.697 18.250 25.827 1.00 16.04 ? 21 PHE A HA 1 ATOM 293 H HB2 . PHE A 1 21 ? 20.229 18.919 23.623 1.00 13.66 ? 21 PHE A HB2 1 ATOM 294 H HB3 . PHE A 1 21 ? 19.996 17.407 23.207 1.00 13.66 ? 21 PHE A HB3 1 ATOM 295 H HD1 . PHE A 1 21 ? 17.873 16.360 23.654 1.00 13.66 ? 21 PHE A HD1 1 ATOM 296 H HD2 . PHE A 1 21 ? 18.564 20.055 24.926 1.00 13.66 ? 21 PHE A HD2 1 ATOM 297 H HE1 . PHE A 1 21 ? 15.647 16.578 24.129 1.00 13.66 ? 21 PHE A HE1 1 ATOM 298 H HE2 . PHE A 1 21 ? 16.334 20.308 25.415 1.00 13.66 ? 21 PHE A HE2 1 ATOM 299 H HZ . PHE A 1 21 ? 14.857 18.551 25.013 1.00 13.66 ? 21 PHE A HZ 1 ATOM 300 N N . SER A 1 22 ? 19.865 16.147 26.804 1.00 12.25 ? 22 SER A N 1 ATOM 301 C CA . SER A 1 22 ? 19.429 14.877 27.354 1.00 11.68 ? 22 SER A CA 1 ATOM 302 C C . SER A 1 22 ? 18.014 14.543 26.942 1.00 11.14 ? 22 SER A C 1 ATOM 303 O O . SER A 1 22 ? 17.087 15.356 27.069 1.00 12.53 ? 22 SER A O 1 ATOM 304 C CB . SER A 1 22 ? 19.482 14.925 28.866 1.00 14.44 ? 22 SER A CB 1 ATOM 305 O OG . SER A 1 22 ? 19.164 13.665 29.418 1.00 15.75 ? 22 SER A OG 1 ATOM 306 H H . SER A 1 22 ? 19.772 16.928 27.439 1.00 16.04 ? 22 SER A H 1 ATOM 307 H HA . SER A 1 22 ? 20.028 14.163 27.060 1.00 13.48 ? 22 SER A HA 1 ATOM 308 H HB2 . SER A 1 22 ? 20.378 15.173 29.142 1.00 16.04 ? 22 SER A HB2 1 ATOM 309 H HB3 . SER A 1 22 ? 18.843 15.581 29.186 1.00 16.04 ? 22 SER A HB3 1 ATOM 310 N N . ARG A 1 23 ? 17.843 13.310 26.467 1.00 10.66 ? 23 ARG A N 1 ATOM 311 C CA . ARG A 1 23 ? 16.518 12.778 26.253 1.00 10.84 ? 23 ARG A CA 1 ATOM 312 C C . ARG A 1 23 ? 16.521 11.291 26.471 1.00 10.10 ? 23 ARG A C 1 ATOM 313 O O . ARG A 1 23 ? 17.542 10.655 26.303 1.00 10.70 ? 23 ARG A O 1 ATOM 314 C CB . ARG A 1 23 ? 15.985 13.116 24.842 1.00 11.26 ? 23 ARG A CB 1 ATOM 315 C CG . ARG A 1 23 ? 16.876 12.653 23.703 1.00 11.55 ? 23 ARG A CG 1 ATOM 316 C CD . ARG A 1 23 ? 16.122 12.460 22.414 1.00 10.80 ? 23 ARG A CD 1 ATOM 317 N NE . ARG A 1 23 ? 15.338 11.235 22.497 1.00 9.96 ? 23 ARG A NE 1 ATOM 318 C CZ . ARG A 1 23 ? 14.626 10.737 21.510 1.00 9.76 ? 23 ARG A CZ 1 ATOM 319 N NH1 . ARG A 1 23 ? 14.546 11.368 20.350 1.00 10.89 ? 23 ARG A NH1 1 ATOM 320 N NH2 . ARG A 1 23 ? 13.981 9.603 21.673 1.00 10.55 ? 23 ARG A NH2 1 ATOM 321 H H . ARG A 1 23 ? 18.591 12.676 26.223 1.00 13.48 ? 23 ARG A H 1 ATOM 322 H HA . ARG A 1 23 ? 15.907 13.179 26.904 1.00 11.01 ? 23 ARG A HA 1 ATOM 323 H HB2 . ARG A 1 23 ? 15.117 12.701 24.729 1.00 11.01 ? 23 ARG A HB2 1 ATOM 324 H HB3 . ARG A 1 23 ? 15.897 14.079 24.770 1.00 11.01 ? 23 ARG A HB3 1 ATOM 325 H HG2 . ARG A 1 23 ? 17.558 13.325 23.548 1.00 11.01 ? 23 ARG A HG2 1 ATOM 326 H HG3 . ARG A 1 23 ? 17.295 11.810 23.933 1.00 11.01 ? 23 ARG A HG3 1 ATOM 327 H HD2 . ARG A 1 23 ? 15.520 13.207 22.271 1.00 11.01 ? 23 ARG A HD2 1 ATOM 328 H HD3 . ARG A 1 23 ? 16.751 12.379 21.681 1.00 11.01 ? 23 ARG A HD3 1 ATOM 329 H HE . ARG A 1 23 ? 15.295 10.782 23.355 1.00 11.01 ? 23 ARG A HE 1 ATOM 330 H HH11 . ARG A 1 23 ? 14.967 12.106 20.219 1.00 11.01 ? 23 ARG A HH11 1 ATOM 331 H HH12 . ARG A 1 23 ? 14.073 11.037 19.713 1.00 11.01 ? 23 ARG A HH12 1 ATOM 332 H HH21 . ARG A 1 23 ? 14.017 9.187 22.425 1.00 11.01 ? 23 ARG A HH21 1 ATOM 333 H HH22 . ARG A 1 23 ? 13.502 9.287 21.035 1.00 11.01 ? 23 ARG A HH22 1 ATOM 334 N N . PRO A 1 24 ? 15.347 10.735 26.768 1.00 10.29 ? 24 PRO A N 1 ATOM 335 C CA . PRO A 1 24 ? 15.248 9.303 26.836 1.00 10.19 ? 24 PRO A CA 1 ATOM 336 C C . PRO A 1 24 ? 15.285 8.681 25.450 1.00 9.50 ? 24 PRO A C 1 ATOM 337 O O . PRO A 1 24 ? 14.970 9.310 24.455 1.00 10.38 ? 24 PRO A O 1 ATOM 338 C CB . PRO A 1 24 ? 13.916 9.056 27.498 1.00 12.57 ? 24 PRO A CB 1 ATOM 339 C CG . PRO A 1 24 ? 13.159 10.274 27.314 1.00 16.72 ? 24 PRO A CG 1 ATOM 340 C CD . PRO A 1 24 ? 14.065 11.395 27.087 1.00 11.18 ? 24 PRO A CD 1 ATOM 341 H HA . PRO A 1 24 ? 15.961 8.928 27.393 1.00 10.71 ? 24 PRO A HA 1 ATOM 342 H HB2 . PRO A 1 24 ? 13.467 8.307 27.078 1.00 12.19 ? 24 PRO A HB2 1 ATOM 343 H HB3 . PRO A 1 24 ? 14.053 8.882 28.443 1.00 12.19 ? 24 PRO A HB3 1 ATOM 344 H HG2 . PRO A 1 24 ? 12.574 10.164 26.548 1.00 14.35 ? 24 PRO A HG2 1 ATOM 345 H HG3 . PRO A 1 24 ? 12.629 10.435 28.110 1.00 14.35 ? 24 PRO A HG3 1 ATOM 346 H HD2 . PRO A 1 24 ? 13.756 11.928 26.339 1.00 11.01 ? 24 PRO A HD2 1 ATOM 347 H HD3 . PRO A 1 24 ? 14.149 11.928 27.893 1.00 11.01 ? 24 PRO A HD3 1 ATOM 348 N N . ALA A 1 25 ? 15.715 7.434 25.400 1.00 9.38 ? 25 ALA A N 1 ATOM 349 C CA . ALA A 1 25 ? 15.938 6.740 24.166 1.00 8.83 ? 25 ALA A CA 1 ATOM 350 C C . ALA A 1 25 ? 15.577 5.274 24.328 1.00 8.51 ? 25 ALA A C 1 ATOM 351 O O . ALA A 1 25 ? 15.362 4.780 25.419 1.00 9.85 ? 25 ALA A O 1 ATOM 352 C CB . ALA A 1 25 ? 17.372 6.922 23.748 1.00 9.64 ? 25 ALA A CB 1 ATOM 353 H H . ALA A 1 25 ? 15.921 6.879 26.220 1.00 10.71 ? 25 ALA A H 1 ATOM 354 H HA . ALA A 1 25 ? 15.366 7.110 23.462 1.00 8.90 ? 25 ALA A HA 1 ATOM 355 H HB1 . ALA A 1 25 ? 17.513 7.843 23.515 1.00 9.95 ? 25 ALA A HB1 1 ATOM 356 H HB2 . ALA A 1 25 ? 17.555 6.361 22.991 1.00 9.95 ? 25 ALA A HB2 1 ATOM 357 H HB3 . ALA A 1 25 ? 17.943 6.679 24.481 1.00 9.95 ? 25 ALA A HB3 1 ATOM 358 N N . VAL A 1 26 ? 15.521 4.602 23.185 1.00 8.46 ? 26 VAL A N 1 ATOM 359 C CA . VAL A 1 26 ? 15.431 3.147 23.056 1.00 8.64 ? 26 VAL A CA 1 ATOM 360 C C . VAL A 1 26 ? 16.784 2.700 22.544 1.00 8.47 ? 26 VAL A C 1 ATOM 361 O O . VAL A 1 26 ? 17.132 3.053 21.430 1.00 8.88 ? 26 VAL A O 1 ATOM 362 C CB . VAL A 1 26 ? 14.317 2.762 22.095 1.00 8.86 ? 26 VAL A CB 1 ATOM 363 C CG1 . VAL A 1 26 ? 14.305 1.283 21.850 1.00 9.05 ? 26 VAL A CG1 1 ATOM 364 C CG2 . VAL A 1 26 ? 12.979 3.223 22.617 1.00 9.93 ? 26 VAL A CG2 1 ATOM 365 H H . VAL A 1 26 ? 15.538 5.060 22.287 1.00 8.90 ? 26 VAL A H 1 ATOM 366 H HA . VAL A 1 26 ? 15.255 2.732 23.926 1.00 9.77 ? 26 VAL A HA 1 ATOM 367 H HB . VAL A 1 26 ? 14.471 3.206 21.235 1.00 8.90 ? 26 VAL A HB 1 ATOM 368 H HG11 . VAL A 1 26 ? 14.959 1.071 21.185 1.00 9.78 ? 26 VAL A HG11 1 ATOM 369 H HG12 . VAL A 1 26 ? 13.435 1.016 21.544 1.00 9.78 ? 26 VAL A HG12 1 ATOM 370 H HG13 . VAL A 1 26 ? 14.517 0.829 22.667 1.00 9.78 ? 26 VAL A HG13 1 ATOM 371 H HG21 . VAL A 1 26 ? 12.836 2.842 23.487 1.00 9.76 ? 26 VAL A HG21 1 ATOM 372 H HG22 . VAL A 1 26 ? 12.289 2.934 22.016 1.00 9.76 ? 26 VAL A HG22 1 ATOM 373 H HG23 . VAL A 1 26 ? 12.977 4.181 22.676 1.00 9.76 ? 26 VAL A HG23 1 ATOM 374 N N . LEU A 1 27 ? 17.487 1.917 23.317 1.00 8.72 ? 27 LEU A N 1 ATOM 375 C CA . LEU A 1 27 ? 18.825 1.518 22.981 1.00 8.95 ? 27 LEU A CA 1 ATOM 376 C C . LEU A 1 27 ? 18.996 0.052 22.945 1.00 8.87 ? 27 LEU A C 1 ATOM 377 O O . LEU A 1 27 ? 18.453 -0.678 23.772 1.00 9.85 ? 27 LEU A O 1 ATOM 378 C CB . LEU A 1 27 ? 19.842 2.079 23.997 1.00 9.53 ? 27 LEU A CB 1 ATOM 379 C CG . LEU A 1 27 ? 19.792 3.594 24.177 1.00 10.88 ? 27 LEU A CG 1 ATOM 380 C CD1 . LEU A 1 27 ? 20.819 4.004 25.183 1.00 13.37 ? 27 LEU A CD1 1 ATOM 381 C CD2 . LEU A 1 27 ? 20.073 4.306 22.862 1.00 11.22 ? 27 LEU A CD2 1 ATOM 382 H H . LEU A 1 27 ? 17.159 1.534 24.192 1.00 9.77 ? 27 LEU A H 1 ATOM 383 H HA . LEU A 1 27 ? 19.063 1.869 22.099 1.00 12.03 ? 27 LEU A HA 1 ATOM 384 H HB2 . LEU A 1 27 ? 19.670 1.675 24.863 1.00 13.10 ? 27 LEU A HB2 1 ATOM 385 H HB3 . LEU A 1 27 ? 20.737 1.849 23.701 1.00 13.10 ? 27 LEU A HB3 1 ATOM 386 H HG . LEU A 1 27 ? 18.917 3.862 24.498 1.00 11.28 ? 27 LEU A HG 1 ATOM 387 H HD11 . LEU A 1 27 ? 20.684 3.503 25.991 1.00 13.10 ? 27 LEU A HD11 1 ATOM 388 H HD12 . LEU A 1 27 ? 20.725 4.942 25.361 1.00 13.10 ? 27 LEU A HD12 1 ATOM 389 H HD13 . LEU A 1 27 ? 21.693 3.824 24.828 1.00 13.10 ? 27 LEU A HD13 1 ATOM 390 H HD21 . LEU A 1 27 ? 20.806 3.870 22.420 1.00 13.09 ? 27 LEU A HD21 1 ATOM 391 H HD22 . LEU A 1 27 ? 20.297 5.222 23.040 1.00 13.09 ? 27 LEU A HD22 1 ATOM 392 H HD23 . LEU A 1 27 ? 19.289 4.266 22.310 1.00 13.09 ? 27 LEU A HD23 1 ATOM 393 N N . ALA A 1 28 ? 19.838 -0.384 22.021 1.00 8.79 ? 28 ALA A N 1 ATOM 394 C CA . ALA A 1 28 ? 20.382 -1.717 22.025 1.00 9.13 ? 28 ALA A CA 1 ATOM 395 C C . ALA A 1 28 ? 21.743 -1.675 22.667 1.00 9.55 ? 28 ALA A C 1 ATOM 396 O O . ALA A 1 28 ? 22.565 -0.797 22.383 1.00 9.92 ? 28 ALA A O 1 ATOM 397 C CB . ALA A 1 28 ? 20.539 -2.218 20.633 1.00 9.94 ? 28 ALA A CB 1 ATOM 398 H H . ALA A 1 28 ? 20.165 0.177 21.246 1.00 12.03 ? 28 ALA A H 1 ATOM 399 H HA . ALA A 1 28 ? 19.801 -2.332 22.517 1.00 10.01 ? 28 ALA A HA 1 ATOM 400 H HB1 . ALA A 1 28 ? 19.686 -2.187 20.194 1.00 12.03 ? 28 ALA A HB1 1 ATOM 401 H HB2 . ALA A 1 28 ? 20.859 -3.123 20.662 1.00 12.03 ? 28 ALA A HB2 1 ATOM 402 H HB3 . ALA A 1 28 ? 21.168 -1.663 20.165 1.00 12.03 ? 28 ALA A HB3 1 ATOM 403 N N . GLY A 1 29 ? 21.987 -2.593 23.600 1.00 10.68 ? 29 GLY A N 1 ATOM 404 C CA . GLY A 1 29 ? 23.317 -2.662 24.202 1.00 11.77 ? 29 GLY A CA 1 ATOM 405 C C . GLY A 1 29 ? 23.702 -1.452 25.026 1.00 12.30 ? 29 GLY A C 1 ATOM 406 O O . GLY A 1 29 ? 24.905 -1.224 25.276 1.00 15.58 ? 29 GLY A O 1 ATOM 407 H H . GLY A 1 29 ? 21.325 -3.272 23.948 1.00 10.01 ? 29 GLY A H 1 ATOM 408 H HA2 . GLY A 1 29 ? 23.360 -3.438 24.781 1.00 10.00 ? 29 GLY A HA2 1 ATOM 409 H HA3 . GLY A 1 29 ? 23.979 -2.774 23.503 1.00 10.00 ? 29 GLY A HA3 1 ATOM 410 N N . GLY A 1 30 ? 22.731 -0.630 25.391 1.00 11.25 ? 30 GLY A N 1 ATOM 411 C CA . GLY A 1 30 ? 22.991 0.481 26.260 1.00 13.44 ? 30 GLY A CA 1 ATOM 412 C C . GLY A 1 30 ? 23.632 1.677 25.617 1.00 12.03 ? 30 GLY A C 1 ATOM 413 O O . GLY A 1 30 ? 23.999 2.583 26.343 1.00 14.36 ? 30 GLY A O 1 ATOM 414 H H . GLY A 1 30 ? 21.762 -0.707 25.123 1.00 11.55 ? 30 GLY A H 1 ATOM 415 H HA2 . GLY A 1 30 ? 22.150 0.772 26.644 1.00 12.64 ? 30 GLY A HA2 1 ATOM 416 H HA3 . GLY A 1 30 ? 23.562 0.192 26.990 1.00 12.64 ? 30 GLY A HA3 1 ATOM 417 N N . THR A 1 31 ? 23.802 1.694 24.308 1.00 9.94 ? 31 THR A N 1 ATOM 418 C CA . THR A 1 31 ? 24.535 2.761 23.650 1.00 9.87 ? 31 THR A CA 1 ATOM 419 C C . THR A 1 31 ? 23.823 3.236 22.412 1.00 8.83 ? 31 THR A C 1 ATOM 420 O O . THR A 1 31 ? 23.042 2.475 21.832 1.00 9.45 ? 31 THR A O 1 ATOM 421 C CB . THR A 1 31 ? 25.949 2.304 23.275 1.00 10.46 ? 31 THR A CB 1 ATOM 422 O OG1 . THR A 1 31 ? 25.932 1.232 22.367 1.00 10.58 ? 31 THR A OG1 1 ATOM 423 C CG2 . THR A 1 31 ? 26.750 1.900 24.493 1.00 11.77 ? 31 THR A CG2 1 ATOM 424 H H . THR A 1 31 ? 23.444 1.000 23.669 1.00 10.26 ? 31 THR A H 1 ATOM 425 H HA . THR A 1 31 ? 24.619 3.526 24.254 1.00 9.79 ? 31 THR A HA 1 ATOM 426 H HB . THR A 1 31 ? 26.411 3.049 22.859 1.00 10.55 ? 31 THR A HB 1 ATOM 427 H HG21 . THR A 1 31 ? 26.668 2.570 25.176 1.00 12.05 ? 31 THR A HG21 1 ATOM 428 H HG22 . THR A 1 31 ? 27.677 1.804 24.260 1.00 12.05 ? 31 THR A HG22 1 ATOM 429 H HG23 . THR A 1 31 ? 26.427 1.064 24.836 1.00 12.05 ? 31 THR A HG23 1 ATOM 430 N N . PHE A 1 32 ? 24.150 4.449 22.006 1.00 9.16 ? 32 PHE A N 1 ATOM 431 C CA . PHE A 1 32 ? 23.779 4.935 20.705 1.00 8.86 ? 32 PHE A CA 1 ATOM 432 C C . PHE A 1 32 ? 25.031 5.277 19.903 1.00 8.91 ? 32 PHE A C 1 ATOM 433 O O . PHE A 1 32 ? 25.813 6.097 20.354 1.00 9.94 ? 32 PHE A O 1 ATOM 434 C CB . PHE A 1 32 ? 22.881 6.175 20.740 1.00 9.30 ? 32 PHE A CB 1 ATOM 435 C CG . PHE A 1 32 ? 22.430 6.522 19.366 1.00 9.07 ? 32 PHE A CG 1 ATOM 436 C CD1 . PHE A 1 32 ? 23.145 7.403 18.584 1.00 10.48 ? 32 PHE A CD1 1 ATOM 437 C CD2 . PHE A 1 32 ? 21.398 5.801 18.788 1.00 8.92 ? 32 PHE A CD2 1 ATOM 438 C CE1 . PHE A 1 32 ? 22.798 7.592 17.260 1.00 10.72 ? 32 PHE A CE1 1 ATOM 439 C CE2 . PHE A 1 32 ? 21.018 6.038 17.483 1.00 9.54 ? 32 PHE A CE2 1 ATOM 440 C CZ . PHE A 1 32 ? 21.736 6.927 16.725 1.00 9.81 ? 32 PHE A CZ 1 ATOM 441 H H . PHE A 1 32 ? 24.672 5.115 22.557 1.00 9.79 ? 32 PHE A H 1 ATOM 442 H HA . PHE A 1 32 ? 23.271 4.244 20.240 1.00 8.71 ? 32 PHE A HA 1 ATOM 443 H HB2 . PHE A 1 32 ? 22.099 5.992 21.283 1.00 9.20 ? 32 PHE A HB2 1 ATOM 444 H HB3 . PHE A 1 32 ? 23.376 6.927 21.103 1.00 9.20 ? 32 PHE A HB3 1 ATOM 445 H HD1 . PHE A 1 32 ? 23.885 7.842 18.936 1.00 8.40 ? 32 PHE A HD1 1 ATOM 446 H HD2 . PHE A 1 32 ? 20.923 5.192 19.304 1.00 8.40 ? 32 PHE A HD2 1 ATOM 447 H HE1 . PHE A 1 32 ? 23.253 8.222 16.749 1.00 8.40 ? 32 PHE A HE1 1 ATOM 448 H HE2 . PHE A 1 32 ? 20.300 5.581 17.114 1.00 8.40 ? 32 PHE A HE2 1 ATOM 449 H HZ . PHE A 1 32 ? 21.476 7.100 15.849 1.00 8.40 ? 32 PHE A HZ 1 ATOM 450 N N . PRO A 1 33 ? 25.172 4.722 18.717 1.00 8.90 ? 33 PRO A N 1 ATOM 451 C CA . PRO A 1 33 ? 24.429 3.583 18.183 1.00 8.43 ? 33 PRO A CA 1 ATOM 452 C C . PRO A 1 33 ? 24.656 2.381 19.020 1.00 7.93 ? 33 PRO A C 1 ATOM 453 O O . PRO A 1 33 ? 25.511 2.376 19.921 1.00 8.67 ? 33 PRO A O 1 ATOM 454 C CB . PRO A 1 33 ? 25.043 3.409 16.786 1.00 10.49 ? 33 PRO A CB 1 ATOM 455 C CG A PRO A 1 33 ? 25.548 4.807 16.489 0.60 10.58 ? 33 PRO A CG 1 ATOM 456 C CG B PRO A 1 33 ? 26.486 3.893 16.947 0.40 10.40 ? 33 PRO A CG 1 ATOM 457 C CD . PRO A 1 33 ? 26.261 5.123 17.820 1.00 10.93 ? 33 PRO A CD 1 ATOM 458 H HA . PRO A 1 33 ? 23.472 3.777 18.103 1.00 8.71 ? 33 PRO A HA 1 ATOM 459 N N . GLY A 1 34 ? 23.882 1.342 18.764 1.00 7.63 ? 34 GLY A N 1 ATOM 460 C CA . GLY A 1 34 ? 24.076 0.107 19.428 1.00 8.23 ? 34 GLY A CA 1 ATOM 461 C C . GLY A 1 34 ? 25.412 -0.518 19.075 1.00 8.37 ? 34 GLY A C 1 ATOM 462 O O . GLY A 1 34 ? 26.090 -0.090 18.146 1.00 8.73 ? 34 GLY A O 1 ATOM 463 H H . GLY A 1 34 ? 23.118 1.344 18.103 1.00 8.67 ? 34 GLY A H 1 ATOM 464 H HA2 . GLY A 1 34 ? 24.037 0.249 20.387 1.00 10.00 ? 34 GLY A HA2 1 ATOM 465 H HA3 . GLY A 1 34 ? 23.368 -0.507 19.180 1.00 10.00 ? 34 GLY A HA3 1 ATOM 466 N N . PRO A 1 35 ? 25.796 -1.531 19.825 1.00 9.05 ? 35 PRO A N 1 ATOM 467 C CA . PRO A 1 35 ? 27.023 -2.237 19.544 1.00 9.63 ? 35 PRO A CA 1 ATOM 468 C C . PRO A 1 35 ? 27.004 -2.851 18.170 1.00 8.65 ? 35 PRO A C 1 ATOM 469 O O . PRO A 1 35 ? 25.956 -3.212 17.624 1.00 9.09 ? 35 PRO A O 1 ATOM 470 C CB . PRO A 1 35 ? 27.048 -3.346 20.622 1.00 11.97 ? 35 PRO A CB 1 ATOM 471 C CG . PRO A 1 35 ? 25.618 -3.572 20.924 1.00 11.52 ? 35 PRO A CG 1 ATOM 472 C CD . PRO A 1 35 ? 25.032 -2.179 20.889 1.00 10.15 ? 35 PRO A CD 1 ATOM 473 H HA . PRO A 1 35 ? 27.799 -1.647 19.648 1.00 27.25 ? 35 PRO A HA 1 ATOM 474 H HB2 . PRO A 1 35 ? 27.460 -4.151 20.269 1.00 11.31 ? 35 PRO A HB2 1 ATOM 475 H HB3 . PRO A 1 35 ? 27.522 -3.031 21.407 1.00 11.31 ? 35 PRO A HB3 1 ATOM 476 H HG2 . PRO A 1 35 ? 25.219 -4.135 20.242 1.00 11.26 ? 35 PRO A HG2 1 ATOM 477 H HG3 . PRO A 1 35 ? 25.523 -3.968 21.804 1.00 11.26 ? 35 PRO A HG3 1 ATOM 478 H HD2 . PRO A 1 35 ? 24.090 -2.225 20.665 1.00 10.00 ? 35 PRO A HD2 1 ATOM 479 H HD3 . PRO A 1 35 ? 25.178 -1.728 21.735 1.00 10.00 ? 35 PRO A HD3 1 ATOM 480 N N . THR A 1 36 ? 28.166 -3.017 17.611 1.00 8.70 ? 36 THR A N 1 ATOM 481 C CA . THR A 1 36 ? 28.296 -3.684 16.345 1.00 8.71 ? 36 THR A CA 1 ATOM 482 C C . THR A 1 36 ? 28.112 -5.159 16.522 1.00 8.65 ? 36 THR A C 1 ATOM 483 O O . THR A 1 36 ? 28.816 -5.795 17.291 1.00 9.85 ? 36 THR A O 1 ATOM 484 C CB . THR A 1 36 ? 29.656 -3.455 15.752 1.00 9.37 ? 36 THR A CB 1 ATOM 485 O OG1 . THR A 1 36 ? 29.903 -2.057 15.673 1.00 10.25 ? 36 THR A OG1 1 ATOM 486 C CG2 . THR A 1 36 ? 29.813 -4.124 14.412 1.00 9.62 ? 36 THR A CG2 1 ATOM 487 H H . THR A 1 36 ? 29.040 -2.704 18.008 1.00 27.26 ? 36 THR A H 1 ATOM 488 H HA . THR A 1 36 ? 27.630 -3.339 15.718 1.00 11.01 ? 36 THR A HA 1 ATOM 489 H HB . THR A 1 36 ? 30.318 -3.841 16.346 1.00 27.29 ? 36 THR A HB 1 ATOM 490 H HG21 . THR A 1 36 ? 30.138 -5.020 14.526 1.00 10.98 ? 36 THR A HG21 1 ATOM 491 H HG22 . THR A 1 36 ? 30.442 -3.635 13.876 1.00 10.98 ? 36 THR A HG22 1 ATOM 492 H HG23 . THR A 1 36 ? 28.971 -4.152 13.951 1.00 10.98 ? 36 THR A HG23 1 ATOM 493 N N . ILE A 1 37 ? 27.161 -5.710 15.785 1.00 8.04 ? 37 ILE A N 1 ATOM 494 C CA . ILE A 1 37 ? 27.001 -7.137 15.691 1.00 8.59 ? 37 ILE A CA 1 ATOM 495 C C . ILE A 1 37 ? 27.816 -7.613 14.519 1.00 8.56 ? 37 ILE A C 1 ATOM 496 O O . ILE A 1 37 ? 27.743 -7.004 13.461 1.00 9.13 ? 37 ILE A O 1 ATOM 497 C CB . ILE A 1 37 ? 25.527 -7.520 15.554 1.00 9.15 ? 37 ILE A CB 1 ATOM 498 C CG1 . ILE A 1 37 ? 24.767 -7.066 16.773 1.00 10.37 ? 37 ILE A CG1 1 ATOM 499 C CG2 . ILE A 1 37 ? 25.383 -8.991 15.324 1.00 10.96 ? 37 ILE A CG2 1 ATOM 500 C CD1 . ILE A 1 37 ? 23.269 -7.179 16.654 1.00 11.43 ? 37 ILE A CD1 1 ATOM 501 H H . ILE A 1 37 ? 26.488 -5.188 15.242 1.00 11.05 ? 37 ILE A H 1 ATOM 502 H HA . ILE A 1 37 ? 27.338 -7.561 16.504 1.00 11.14 ? 37 ILE A HA 1 ATOM 503 H HB . ILE A 1 37 ? 25.166 -7.060 14.781 1.00 11.08 ? 37 ILE A HB 1 ATOM 504 H HG12 . ILE A 1 37 ? 25.043 -7.607 17.529 1.00 10.34 ? 37 ILE A HG12 1 ATOM 505 H HG13 . ILE A 1 37 ? 24.971 -6.134 16.947 1.00 10.34 ? 37 ILE A HG13 1 ATOM 506 H HG21 . ILE A 1 37 ? 25.522 -9.178 14.393 1.00 11.14 ? 37 ILE A HG21 1 ATOM 507 H HG22 . ILE A 1 37 ? 24.502 -9.273 15.576 1.00 11.14 ? 37 ILE A HG22 1 ATOM 508 H HG23 . ILE A 1 37 ? 26.035 -9.458 15.852 1.00 11.14 ? 37 ILE A HG23 1 ATOM 509 H HD11 . ILE A 1 37 ? 23.014 -7.050 15.738 1.00 11.11 ? 37 ILE A HD11 1 ATOM 510 H HD12 . ILE A 1 37 ? 22.862 -6.505 17.204 1.00 11.11 ? 37 ILE A HD12 1 ATOM 511 H HD13 . ILE A 1 37 ? 22.997 -8.050 16.951 1.00 11.11 ? 37 ILE A HD13 1 ATOM 512 N N . ALA A 1 38 ? 28.620 -8.655 14.699 1.00 8.68 ? 38 ALA A N 1 ATOM 513 C CA . ALA A 1 38 ? 29.489 -9.043 13.637 1.00 9.15 ? 38 ALA A CA 1 ATOM 514 C C . ALA A 1 38 ? 29.694 -10.551 13.624 1.00 9.68 ? 38 ALA A C 1 ATOM 515 O O . ALA A 1 38 ? 29.520 -11.248 14.622 1.00 11.06 ? 38 ALA A O 1 ATOM 516 C CB . ALA A 1 38 ? 30.825 -8.371 13.761 1.00 11.14 ? 38 ALA A CB 1 ATOM 517 H H . ALA A 1 38 ? 28.680 -9.215 15.538 1.00 11.14 ? 38 ALA A H 1 ATOM 518 H HA . ALA A 1 38 ? 29.091 -8.788 12.782 1.00 9.56 ? 38 ALA A HA 1 ATOM 519 H HB1 . ALA A 1 38 ? 30.696 -7.419 13.768 1.00 11.32 ? 38 ALA A HB1 1 ATOM 520 H HB2 . ALA A 1 38 ? 31.372 -8.621 13.012 1.00 11.32 ? 38 ALA A HB2 1 ATOM 521 H HB3 . ALA A 1 38 ? 31.242 -8.651 14.579 1.00 11.32 ? 38 ALA A HB3 1 ATOM 522 N N . GLY A 1 39 ? 30.052 -11.021 12.461 1.00 9.36 ? 39 GLY A N 1 ATOM 523 C CA . GLY A 1 39 ? 30.472 -12.376 12.242 1.00 10.06 ? 39 GLY A CA 1 ATOM 524 C C . GLY A 1 39 ? 31.133 -12.451 10.916 1.00 9.88 ? 39 GLY A C 1 ATOM 525 O O . GLY A 1 39 ? 31.432 -11.437 10.296 1.00 10.83 ? 39 GLY A O 1 ATOM 526 H H . GLY A 1 39 ? 30.059 -10.463 11.618 1.00 9.56 ? 39 GLY A H 1 ATOM 527 H HA2 . GLY A 1 39 ? 31.100 -12.650 12.928 1.00 10.14 ? 39 GLY A HA2 1 ATOM 528 H HA3 . GLY A 1 39 ? 29.706 -12.971 12.252 1.00 10.14 ? 39 GLY A HA3 1 ATOM 529 N N . ASN A 1 40 ? 31.331 -13.693 10.469 1.00 11.26 ? 40 ASN A N 1 ATOM 530 C CA . ASN A 1 40 ? 31.933 -13.980 9.174 1.00 10.78 ? 40 ASN A CA 1 ATOM 531 C C . ASN A 1 40 ? 30.896 -14.487 8.230 1.00 10.81 ? 40 ASN A C 1 ATOM 532 O O . ASN A 1 40 ? 29.887 -15.025 8.626 1.00 11.19 ? 40 ASN A O 1 ATOM 533 C CB . ASN A 1 40 ? 33.035 -14.963 9.310 1.00 13.32 ? 40 ASN A CB 1 ATOM 534 C CG . ASN A 1 40 ? 34.223 -14.369 10.036 1.00 15.24 ? 40 ASN A CG 1 ATOM 535 O OD1 . ASN A 1 40 ? 34.656 -13.240 9.819 1.00 18.70 ? 40 ASN A OD1 1 ATOM 536 N ND2 . ASN A 1 40 ? 34.786 -15.190 10.910 1.00 25.59 ? 40 ASN A ND2 1 ATOM 537 H H . ASN A 1 40 ? 31.090 -14.517 10.994 1.00 16.13 ? 40 ASN A H 1 ATOM 538 H HA . ASN A 1 40 ? 32.305 -13.159 8.794 1.00 11.15 ? 40 ASN A HA 1 ATOM 539 H HB2 . ASN A 1 40 ? 32.718 -15.731 9.811 1.00 16.13 ? 40 ASN A HB2 1 ATOM 540 H HB3 . ASN A 1 40 ? 33.331 -15.239 8.428 1.00 16.13 ? 40 ASN A HB3 1 ATOM 541 H HD21 . ASN A 1 40 ? 35.135 -14.840 11.756 1.00 16.13 ? 40 ASN A HD21 1 ATOM 542 H HD22 . ASN A 1 40 ? 34.857 -16.148 10.711 1.00 16.13 ? 40 ASN A HD22 1 ATOM 543 N N . THR A 1 41 ? 31.175 -14.367 6.947 1.00 11.02 ? 41 THR A N 1 ATOM 544 C CA . THR A 1 41 ? 30.227 -14.818 5.938 1.00 10.55 ? 41 THR A CA 1 ATOM 545 C C . THR A 1 41 ? 29.881 -16.274 6.158 1.00 10.65 ? 41 THR A C 1 ATOM 546 O O . THR A 1 41 ? 30.751 -17.051 6.520 1.00 10.92 ? 41 THR A O 1 ATOM 547 C CB . THR A 1 41 ? 30.785 -14.537 4.538 1.00 11.54 ? 41 THR A CB 1 ATOM 548 O OG1 . THR A 1 41 ? 29.808 -14.848 3.563 1.00 11.85 ? 41 THR A OG1 1 ATOM 549 C CG2 . THR A 1 41 ? 32.006 -15.327 4.251 1.00 11.74 ? 41 THR A CG2 1 ATOM 550 H H . THR A 1 41 ? 32.025 -13.955 6.589 1.00 11.15 ? 41 THR A H 1 ATOM 551 H HA . THR A 1 41 ? 29.403 -14.298 6.034 1.00 11.97 ? 41 THR A HA 1 ATOM 552 H HB . THR A 1 41 ? 31.012 -13.596 4.471 1.00 11.17 ? 41 THR A HB 1 ATOM 553 H HG21 . THR A 1 41 ? 32.568 -15.385 5.025 1.00 11.14 ? 41 THR A HG21 1 ATOM 554 H HG22 . THR A 1 41 ? 32.502 -14.910 3.543 1.00 11.14 ? 41 THR A HG22 1 ATOM 555 H HG23 . THR A 1 41 ? 31.767 -16.216 3.976 1.00 11.14 ? 41 THR A HG23 1 ATOM 556 N N . GLY A 1 42 ? 28.616 -16.592 5.976 1.00 11.05 ? 42 GLY A N 1 ATOM 557 C CA . GLY A 1 42 ? 28.087 -17.914 6.191 1.00 12.10 ? 42 GLY A CA 1 ATOM 558 C C . GLY A 1 42 ? 27.800 -18.238 7.634 1.00 11.44 ? 42 GLY A C 1 ATOM 559 O O . GLY A 1 42 ? 27.233 -19.301 7.878 1.00 13.57 ? 42 GLY A O 1 ATOM 560 H H . GLY A 1 42 ? 27.918 -15.942 5.648 1.00 11.97 ? 42 GLY A H 1 ATOM 561 H HA2 . GLY A 1 42 ? 27.259 -18.005 5.694 1.00 11.72 ? 42 GLY A HA2 1 ATOM 562 H HA3 . GLY A 1 42 ? 28.713 -18.573 5.851 1.00 11.72 ? 42 GLY A HA3 1 ATOM 563 N N . ASP A 1 43 ? 28.115 -17.371 8.592 1.00 11.22 ? 43 ASP A N 1 ATOM 564 C CA . ASP A 1 43 ? 27.890 -17.699 9.991 1.00 11.71 ? 43 ASP A CA 1 ATOM 565 C C . ASP A 1 43 ? 26.431 -17.787 10.345 1.00 10.79 ? 43 ASP A C 1 ATOM 566 O O . ASP A 1 43 ? 25.557 -17.228 9.708 1.00 11.52 ? 43 ASP A O 1 ATOM 567 C CB . ASP A 1 43 ? 28.501 -16.662 10.935 1.00 11.68 ? 43 ASP A CB 1 ATOM 568 C CG . ASP A 1 43 ? 29.964 -16.849 11.220 1.00 13.97 ? 43 ASP A CG 1 ATOM 569 O OD1 . ASP A 1 43 ? 30.596 -17.828 10.746 1.00 17.47 ? 43 ASP A OD1 1 ATOM 570 O OD2 . ASP A 1 43 ? 30.532 -15.934 11.901 1.00 14.26 ? 43 ASP A OD2 1 ATOM 571 H H . ASP A 1 43 ? 28.507 -16.454 8.443 1.00 12.02 ? 43 ASP A H 1 ATOM 572 H HA . ASP A 1 43 ? 28.298 -18.569 10.181 1.00 13.24 ? 43 ASP A HA 1 ATOM 573 H HB2 . ASP A 1 43 ? 28.379 -15.777 10.559 1.00 12.02 ? 43 ASP A HB2 1 ATOM 574 H HB3 . ASP A 1 43 ? 28.044 -16.707 11.790 1.00 12.02 ? 43 ASP A HB3 1 ATOM 575 N N . ASN A 1 44 ? 26.191 -18.552 11.436 1.00 11.04 ? 44 ASN A N 1 ATOM 576 C CA . ASN A 1 44 ? 24.919 -18.615 12.098 1.00 10.32 ? 44 ASN A CA 1 ATOM 577 C C . ASN A 1 44 ? 24.884 -17.575 13.192 1.00 10.53 ? 44 ASN A C 1 ATOM 578 O O . ASN A 1 44 ? 25.548 -17.670 14.199 1.00 14.42 ? 44 ASN A O 1 ATOM 579 C CB . ASN A 1 44 ? 24.742 -19.999 12.683 1.00 11.28 ? 44 ASN A CB 1 ATOM 580 C CG . ASN A 1 44 ? 23.417 -20.179 13.384 1.00 12.46 ? 44 ASN A CG 1 ATOM 581 O OD1 . ASN A 1 44 ? 22.383 -19.520 13.102 1.00 15.29 ? 44 ASN A OD1 1 ATOM 582 N ND2 . ASN A 1 44 ? 23.390 -21.077 14.265 1.00 16.04 ? 44 ASN A ND2 1 ATOM 583 H H . ASN A 1 44 ? 26.895 -19.133 11.870 1.00 13.24 ? 44 ASN A H 1 ATOM 584 H HA . ASN A 1 44 ? 24.195 -18.448 11.462 1.00 11.95 ? 44 ASN A HA 1 ATOM 585 H HB2 . ASN A 1 44 ? 24.798 -20.655 11.972 1.00 13.24 ? 44 ASN A HB2 1 ATOM 586 H HB3 . ASN A 1 44 ? 25.448 -20.158 13.329 1.00 13.24 ? 44 ASN A HB3 1 ATOM 587 H HD21 . ASN A 1 44 ? 22.597 -21.644 14.357 1.00 13.24 ? 44 ASN A HD21 1 ATOM 588 H HD22 . ASN A 1 44 ? 24.157 -21.210 14.861 1.00 13.24 ? 44 ASN A HD22 1 ATOM 589 N N . PHE A 1 45 ? 24.087 -16.563 12.959 1.00 9.88 ? 45 PHE A N 1 ATOM 590 C CA . PHE A 1 45 ? 23.767 -15.578 13.981 1.00 9.61 ? 45 PHE A CA 1 ATOM 591 C C . PHE A 1 45 ? 22.670 -16.079 14.846 1.00 9.86 ? 45 PHE A C 1 ATOM 592 O O . PHE A 1 45 ? 21.647 -16.589 14.337 1.00 10.80 ? 45 PHE A O 1 ATOM 593 C CB . PHE A 1 45 ? 23.372 -14.269 13.310 1.00 10.18 ? 45 PHE A CB 1 ATOM 594 C CG . PHE A 1 45 ? 24.559 -13.526 12.742 1.00 9.90 ? 45 PHE A CG 1 ATOM 595 C CD1 . PHE A 1 45 ? 25.224 -12.606 13.493 1.00 10.42 ? 45 PHE A CD1 1 ATOM 596 C CD2 . PHE A 1 45 ? 25.026 -13.799 11.490 1.00 11.80 ? 45 PHE A CD2 1 ATOM 597 C CE1 . PHE A 1 45 ? 26.348 -11.961 13.013 1.00 11.30 ? 45 PHE A CE1 1 ATOM 598 C CE2 . PHE A 1 45 ? 26.141 -13.163 11.005 1.00 12.67 ? 45 PHE A CE2 1 ATOM 599 C CZ . PHE A 1 45 ? 26.798 -12.240 11.764 1.00 12.49 ? 45 PHE A CZ 1 ATOM 600 H H . PHE A 1 45 ? 23.640 -16.391 12.070 1.00 11.95 ? 45 PHE A H 1 ATOM 601 H HA . PHE A 1 45 ? 24.558 -15.409 14.529 1.00 11.94 ? 45 PHE A HA 1 ATOM 602 H HB2 . PHE A 1 45 ? 22.752 -14.449 12.586 1.00 11.95 ? 45 PHE A HB2 1 ATOM 603 H HB3 . PHE A 1 45 ? 22.949 -13.693 13.967 1.00 11.95 ? 45 PHE A HB3 1 ATOM 604 H HD1 . PHE A 1 45 ? 24.928 -12.423 14.355 1.00 11.96 ? 45 PHE A HD1 1 ATOM 605 H HD2 . PHE A 1 45 ? 24.597 -14.438 10.968 1.00 11.97 ? 45 PHE A HD2 1 ATOM 606 H HE1 . PHE A 1 45 ? 26.783 -11.327 13.536 1.00 11.96 ? 45 PHE A HE1 1 ATOM 607 H HE2 . PHE A 1 45 ? 26.443 -13.349 10.148 1.00 11.97 ? 45 PHE A HE2 1 ATOM 608 H HZ . PHE A 1 45 ? 27.539 -11.795 11.423 1.00 11.96 ? 45 PHE A HZ 1 ATOM 609 N N . GLN A 1 46 ? 22.835 -15.911 16.160 1.00 10.08 ? 46 GLN A N 1 ATOM 610 C CA . GLN A 1 46 ? 21.772 -16.204 17.088 1.00 10.48 ? 46 GLN A CA 1 ATOM 611 C C . GLN A 1 46 ? 21.734 -15.026 18.022 1.00 10.55 ? 46 GLN A C 1 ATOM 612 O O . GLN A 1 46 ? 22.572 -14.931 18.934 1.00 11.28 ? 46 GLN A O 1 ATOM 613 C CB . GLN A 1 46 ? 22.018 -17.492 17.850 1.00 12.57 ? 46 GLN A CB 1 ATOM 614 C CG . GLN A 1 46 ? 22.218 -18.685 16.931 1.00 13.87 ? 46 GLN A CG 1 ATOM 615 C CD . GLN A 1 46 ? 22.434 -19.979 17.655 1.00 17.61 ? 46 GLN A CD 1 ATOM 616 O OE1 . GLN A 1 46 ? 22.740 -20.997 17.022 1.00 22.52 ? 46 GLN A OE1 1 ATOM 617 N NE2 . GLN A 1 46 ? 22.293 -19.976 18.938 1.00 18.68 ? 46 GLN A NE2 1 ATOM 618 H H . GLN A 1 46 ? 23.687 -15.584 16.594 1.00 11.94 ? 46 GLN A H 1 ATOM 619 H HA . GLN A 1 46 ? 20.910 -16.275 16.629 1.00 10.64 ? 46 GLN A HA 1 ATOM 620 H HB2 . GLN A 1 46 ? 22.817 -17.398 18.391 1.00 14.67 ? 46 GLN A HB2 1 ATOM 621 H HB3 . GLN A 1 46 ? 21.249 -17.668 18.413 1.00 14.67 ? 46 GLN A HB3 1 ATOM 622 H HG2 . GLN A 1 46 ? 21.433 -18.783 16.372 1.00 13.58 ? 46 GLN A HG2 1 ATOM 623 H HG3 . GLN A 1 46 ? 22.998 -18.529 16.377 1.00 13.58 ? 46 GLN A HG3 1 ATOM 624 H HE21 . GLN A 1 46 ? 21.567 -20.271 19.291 1.00 14.67 ? 46 GLN A HE21 1 ATOM 625 H HE22 . GLN A 1 46 ? 22.926 -19.681 19.440 1.00 14.67 ? 46 GLN A HE22 1 ATOM 626 N N . ILE A 1 47 ? 20.843 -14.091 17.737 1.00 10.28 ? 47 ILE A N 1 ATOM 627 C CA . ILE A 1 47 ? 20.791 -12.844 18.478 1.00 9.77 ? 47 ILE A CA 1 ATOM 628 C C . ILE A 1 47 ? 19.550 -12.902 19.328 1.00 9.60 ? 47 ILE A C 1 ATOM 629 O O . ILE A 1 47 ? 18.437 -12.825 18.823 1.00 10.40 ? 47 ILE A O 1 ATOM 630 C CB . ILE A 1 47 ? 20.767 -11.642 17.539 1.00 10.42 ? 47 ILE A CB 1 ATOM 631 C CG1 . ILE A 1 47 ? 21.941 -11.711 16.551 1.00 12.46 ? 47 ILE A CG1 1 ATOM 632 C CG2 . ILE A 1 47 ? 20.821 -10.398 18.349 1.00 10.75 ? 47 ILE A CG2 1 ATOM 633 C CD1 . ILE A 1 47 ? 21.793 -11.010 15.279 1.00 13.56 ? 47 ILE A CD1 1 ATOM 634 H H . ILE A 1 47 ? 20.150 -14.162 17.007 1.00 10.64 ? 47 ILE A H 1 ATOM 635 H HA . ILE A 1 47 ? 21.576 -12.759 19.054 1.00 10.94 ? 47 ILE A HA 1 ATOM 636 H HB . ILE A 1 47 ? 19.939 -11.650 17.035 1.00 10.68 ? 47 ILE A HB 1 ATOM 637 H HG12 . ILE A 1 47 ? 22.724 -11.339 16.987 1.00 12.22 ? 47 ILE A HG12 1 ATOM 638 H HG13 . ILE A 1 47 ? 22.115 -12.639 16.333 1.00 12.22 ? 47 ILE A HG13 1 ATOM 639 H HG21 . ILE A 1 47 ? 19.948 -10.213 18.703 1.00 10.94 ? 47 ILE A HG21 1 ATOM 640 H HG22 . ILE A 1 47 ? 21.099 -9.672 17.785 1.00 10.94 ? 47 ILE A HG22 1 ATOM 641 H HG23 . ILE A 1 47 ? 21.450 -10.507 19.066 1.00 10.94 ? 47 ILE A HG23 1 ATOM 642 H HD11 . ILE A 1 47 ? 20.958 -11.262 14.879 1.00 13.53 ? 47 ILE A HD11 1 ATOM 643 H HD12 . ILE A 1 47 ? 22.520 -11.255 14.702 1.00 13.53 ? 47 ILE A HD12 1 ATOM 644 H HD13 . ILE A 1 47 ? 21.808 -10.064 15.440 1.00 13.53 ? 47 ILE A HD13 1 ATOM 645 N N . THR A 1 48 ? 19.762 -13.089 20.624 1.00 9.82 ? 48 THR A N 1 ATOM 646 C CA . THR A 1 48 ? 18.635 -13.169 21.527 1.00 11.24 ? 48 THR A CA 1 ATOM 647 C C . THR A 1 48 ? 18.339 -11.784 22.018 1.00 10.26 ? 48 THR A C 1 ATOM 648 O O . THR A 1 48 ? 19.109 -11.204 22.770 1.00 10.98 ? 48 THR A O 1 ATOM 649 C CB . THR A 1 48 ? 18.910 -14.096 22.694 1.00 12.35 ? 48 THR A CB 1 ATOM 650 O OG1 . THR A 1 48 ? 19.180 -15.410 22.184 1.00 14.75 ? 48 THR A OG1 1 ATOM 651 C CG2 . THR A 1 48 ? 17.651 -14.209 23.550 1.00 14.48 ? 48 THR A CG2 1 ATOM 652 H H . THR A 1 48 ? 20.666 -13.185 21.065 1.00 10.94 ? 48 THR A H 1 ATOM 653 H HA . THR A 1 48 ? 17.851 -13.517 21.056 1.00 28.77 ? 48 THR A HA 1 ATOM 654 H HB . THR A 1 48 ? 19.650 -13.774 23.233 1.00 12.14 ? 48 THR A HB 1 ATOM 655 H HG21 . THR A 1 48 ? 17.649 -13.521 24.216 1.00 32.12 ? 48 THR A HG21 1 ATOM 656 H HG22 . THR A 1 48 ? 17.621 -15.060 23.990 1.00 32.15 ? 48 THR A HG22 1 ATOM 657 H HG23 . THR A 1 48 ? 16.864 -14.106 23.010 1.00 32.09 ? 48 THR A HG23 1 ATOM 658 N N . VAL A 1 49 ? 17.244 -11.258 21.523 1.00 9.88 ? 49 VAL A N 1 ATOM 659 C CA . VAL A 1 49 ? 16.845 -9.892 21.803 1.00 9.69 ? 49 VAL A CA 1 ATOM 660 C C . VAL A 1 49 ? 15.948 -9.900 23.026 1.00 9.64 ? 49 VAL A C 1 ATOM 661 O O . VAL A 1 49 ? 14.912 -10.550 23.036 1.00 11.31 ? 49 VAL A O 1 ATOM 662 C CB . VAL A 1 49 ? 16.098 -9.317 20.582 1.00 9.40 ? 49 VAL A CB 1 ATOM 663 C CG1 . VAL A 1 49 ? 15.511 -7.958 20.924 1.00 10.26 ? 49 VAL A CG1 1 ATOM 664 C CG2 . VAL A 1 49 ? 17.059 -9.230 19.427 1.00 9.91 ? 49 VAL A CG2 1 ATOM 665 H H . VAL A 1 49 ? 16.599 -11.752 20.923 1.00 28.76 ? 49 VAL A H 1 ATOM 666 H HA . VAL A 1 49 ? 17.631 -9.336 21.968 1.00 10.26 ? 49 VAL A HA 1 ATOM 667 H HB . VAL A 1 49 ? 15.363 -9.915 20.332 1.00 28.76 ? 49 VAL A HB 1 ATOM 668 H HG11 . VAL A 1 49 ? 14.715 -8.078 21.446 1.00 10.17 ? 49 VAL A HG11 1 ATOM 669 H HG12 . VAL A 1 49 ? 15.293 -7.500 20.112 1.00 10.17 ? 49 VAL A HG12 1 ATOM 670 H HG13 . VAL A 1 49 ? 16.158 -7.452 21.422 1.00 10.17 ? 49 VAL A HG13 1 ATOM 671 H HG21 . VAL A 1 49 ? 17.807 -8.686 19.684 1.00 10.24 ? 49 VAL A HG21 1 ATOM 672 H HG22 . VAL A 1 49 ? 16.609 -8.834 18.677 1.00 10.24 ? 49 VAL A HG22 1 ATOM 673 H HG23 . VAL A 1 49 ? 17.359 -10.112 19.197 1.00 10.24 ? 49 VAL A HG23 1 ATOM 674 N N . PHE A 1 50 ? 16.404 -9.197 24.059 1.00 9.75 ? 50 PHE A N 1 ATOM 675 C CA . PHE A 1 50 ? 15.690 -9.047 25.294 1.00 10.16 ? 50 PHE A CA 1 ATOM 676 C C . PHE A 1 50 ? 15.008 -7.718 25.297 1.00 10.07 ? 50 PHE A C 1 ATOM 677 O O . PHE A 1 50 ? 15.675 -6.693 25.328 1.00 10.82 ? 50 PHE A O 1 ATOM 678 C CB . PHE A 1 50 ? 16.615 -9.141 26.486 1.00 11.94 ? 50 PHE A CB 1 ATOM 679 C CG . PHE A 1 50 ? 17.143 -10.519 26.731 1.00 13.10 ? 50 PHE A CG 1 ATOM 680 C CD1 . PHE A 1 50 ? 16.534 -11.317 27.678 1.00 14.99 ? 50 PHE A CD1 1 ATOM 681 C CD2 . PHE A 1 50 ? 18.230 -11.013 26.054 1.00 14.67 ? 50 PHE A CD2 1 ATOM 682 C CE1 . PHE A 1 50 ? 16.983 -12.590 27.916 1.00 18.77 ? 50 PHE A CE1 1 ATOM 683 C CE2 . PHE A 1 50 ? 18.701 -12.279 26.283 1.00 17.02 ? 50 PHE A CE2 1 ATOM 684 C CZ . PHE A 1 50 ? 18.064 -13.063 27.215 1.00 18.25 ? 50 PHE A CZ 1 ATOM 685 H H . PHE A 1 50 ? 17.289 -8.709 24.055 1.00 10.28 ? 50 PHE A H 1 ATOM 686 H HA . PHE A 1 50 ? 15.015 -9.752 25.384 1.00 10.33 ? 50 PHE A HA 1 ATOM 687 H HB2 . PHE A 1 50 ? 17.375 -8.557 26.342 1.00 10.30 ? 50 PHE A HB2 1 ATOM 688 H HB3 . PHE A 1 50 ? 16.135 -8.860 27.280 1.00 10.30 ? 50 PHE A HB3 1 ATOM 689 H HD1 . PHE A 1 50 ? 15.794 -10.999 28.143 1.00 10.31 ? 50 PHE A HD1 1 ATOM 690 H HD2 . PHE A 1 50 ? 18.648 -10.482 25.416 1.00 10.31 ? 50 PHE A HD2 1 ATOM 691 H HE1 . PHE A 1 50 ? 16.565 -13.124 28.551 1.00 10.31 ? 50 PHE A HE1 1 ATOM 692 H HE2 . PHE A 1 50 ? 19.430 -12.604 25.811 1.00 10.31 ? 50 PHE A HE2 1 ATOM 693 H HZ . PHE A 1 50 ? 18.380 -13.921 27.385 1.00 10.31 ? 50 PHE A HZ 1 ATOM 694 N N . ASN A 1 51 ? 13.680 -7.722 25.237 1.00 9.63 ? 51 ASN A N 1 ATOM 695 C CA . ASN A 1 51 ? 12.926 -6.502 25.295 1.00 9.59 ? 51 ASN A CA 1 ATOM 696 C C . ASN A 1 51 ? 12.705 -6.133 26.738 1.00 9.81 ? 51 ASN A C 1 ATOM 697 O O . ASN A 1 51 ? 11.888 -6.765 27.400 1.00 10.88 ? 51 ASN A O 1 ATOM 698 C CB . ASN A 1 51 ? 11.626 -6.636 24.564 1.00 10.20 ? 51 ASN A CB 1 ATOM 699 C CG . ASN A 1 51 ? 10.845 -5.365 24.609 1.00 9.69 ? 51 ASN A CG 1 ATOM 700 O OD1 . ASN A 1 51 ? 11.268 -4.398 25.279 1.00 10.66 ? 51 ASN A OD1 1 ATOM 701 N ND2 . ASN A 1 51 ? 9.725 -5.321 23.943 1.00 9.52 ? 51 ASN A ND2 1 ATOM 702 H H . ASN A 1 51 ? 13.114 -8.555 25.151 1.00 10.33 ? 51 ASN A H 1 ATOM 703 H HA . ASN A 1 51 ? 13.432 -5.783 24.861 1.00 9.97 ? 51 ASN A HA 1 ATOM 704 H HB2 . ASN A 1 51 ? 11.803 -6.848 23.634 1.00 10.33 ? 51 ASN A HB2 1 ATOM 705 H HB3 . ASN A 1 51 ? 11.092 -7.336 24.971 1.00 10.33 ? 51 ASN A HB3 1 ATOM 706 H HD21 . ASN A 1 51 ? 8.973 -4.796 24.286 1.00 10.05 ? 51 ASN A HD21 1 ATOM 707 H HD22 . ASN A 1 51 ? 9.636 -5.814 23.100 1.00 10.05 ? 51 ASN A HD22 1 ATOM 708 N N . ASP A 1 52 ? 13.442 -5.151 27.228 1.00 9.68 ? 52 ASP A N 1 ATOM 709 C CA . ASP A 1 52 ? 13.312 -4.645 28.561 1.00 10.82 ? 52 ASP A CA 1 ATOM 710 C C . ASP A 1 52 ? 12.751 -3.226 28.594 1.00 9.88 ? 52 ASP A C 1 ATOM 711 O O . ASP A 1 52 ? 12.953 -2.505 29.564 1.00 10.56 ? 52 ASP A O 1 ATOM 712 C CB . ASP A 1 52 ? 14.706 -4.672 29.256 1.00 13.13 ? 52 ASP A CB 1 ATOM 713 C CG . ASP A 1 52 ? 15.412 -6.019 29.192 1.00 16.57 ? 52 ASP A CG 1 ATOM 714 O OD1 . ASP A 1 52 ? 14.673 -7.016 29.437 1.00 17.71 ? 52 ASP A OD1 1 ATOM 715 O OD2 . ASP A 1 52 ? 16.673 -6.081 28.920 1.00 23.19 ? 52 ASP A OD2 1 ATOM 716 H H . ASP A 1 52 ? 14.161 -4.676 26.700 1.00 9.97 ? 52 ASP A H 1 ATOM 717 H HA . ASP A 1 52 ? 12.709 -5.215 29.082 1.00 10.89 ? 52 ASP A HA 1 ATOM 718 H HB2 . ASP A 1 52 ? 15.280 -4.016 28.833 1.00 12.78 ? 52 ASP A HB2 1 ATOM 719 H HB3 . ASP A 1 52 ? 14.592 -4.449 30.193 1.00 12.78 ? 52 ASP A HB3 1 ATOM 720 N N . LEU A 1 53 ? 12.031 -2.829 27.577 1.00 9.30 ? 53 LEU A N 1 ATOM 721 C CA . LEU A 1 53 ? 11.509 -1.496 27.488 1.00 9.50 ? 53 LEU A CA 1 ATOM 722 C C . LEU A 1 53 ? 10.345 -1.278 28.405 1.00 9.71 ? 53 LEU A C 1 ATOM 723 O O . LEU A 1 53 ? 9.431 -2.073 28.472 1.00 11.27 ? 53 LEU A O 1 ATOM 724 C CB . LEU A 1 53 ? 11.062 -1.212 26.061 1.00 9.44 ? 53 LEU A CB 1 ATOM 725 C CG . LEU A 1 53 ? 12.184 -1.269 25.026 1.00 9.36 ? 53 LEU A CG 1 ATOM 726 C CD1 . LEU A 1 53 ? 11.571 -1.184 23.649 1.00 10.50 ? 53 LEU A CD1 1 ATOM 727 C CD2 . LEU A 1 53 ? 13.171 -0.163 25.270 1.00 10.37 ? 53 LEU A CD2 1 ATOM 728 H H . LEU A 1 53 ? 11.773 -3.420 26.800 1.00 9.93 ? 53 LEU A H 1 ATOM 729 H HA . LEU A 1 53 ? 12.211 -0.857 27.725 1.00 9.90 ? 53 LEU A HA 1 ATOM 730 H HB2 . LEU A 1 53 ? 10.390 -1.864 25.809 1.00 9.93 ? 53 LEU A HB2 1 ATOM 731 H HB3 . LEU A 1 53 ? 10.677 -0.322 26.027 1.00 9.93 ? 53 LEU A HB3 1 ATOM 732 H HG . LEU A 1 53 ? 12.653 -2.114 25.096 1.00 9.93 ? 53 LEU A HG 1 ATOM 733 H HD11 . LEU A 1 53 ? 10.983 -1.932 23.520 1.00 9.95 ? 53 LEU A HD11 1 ATOM 734 H HD12 . LEU A 1 53 ? 12.273 -1.204 22.994 1.00 9.95 ? 53 LEU A HD12 1 ATOM 735 H HD13 . LEU A 1 53 ? 11.080 -0.363 23.576 1.00 9.95 ? 53 LEU A HD13 1 ATOM 736 H HD21 . LEU A 1 53 ? 12.697 0.663 25.372 1.00 9.89 ? 53 LEU A HD21 1 ATOM 737 H HD22 . LEU A 1 53 ? 13.767 -0.106 24.522 1.00 9.89 ? 53 LEU A HD22 1 ATOM 738 H HD23 . LEU A 1 53 ? 13.668 -0.359 26.065 1.00 9.89 ? 53 LEU A HD23 1 ATOM 739 N N . THR A 1 54 ? 10.343 -0.140 29.072 1.00 9.17 ? 54 THR A N 1 ATOM 740 C CA . THR A 1 54 ? 9.252 0.169 29.974 1.00 9.90 ? 54 THR A CA 1 ATOM 741 C C . THR A 1 54 ? 8.608 1.514 29.741 1.00 10.08 ? 54 THR A C 1 ATOM 742 O O . THR A 1 54 ? 7.566 1.759 30.321 1.00 11.21 ? 54 THR A O 1 ATOM 743 C CB . THR A 1 54 ? 9.720 0.072 31.419 1.00 10.74 ? 54 THR A CB 1 ATOM 744 O OG1 . THR A 1 54 ? 10.826 0.941 31.613 1.00 10.84 ? 54 THR A OG1 1 ATOM 745 C CG2 . THR A 1 54 ? 10.126 -1.307 31.769 1.00 11.54 ? 54 THR A CG2 1 ATOM 746 H H . THR A 1 54 ? 11.075 0.554 29.035 1.00 9.91 ? 54 THR A H 1 ATOM 747 H HA . THR A 1 54 ? 8.540 -0.494 29.865 1.00 11.32 ? 54 THR A HA 1 ATOM 748 H HB . THR A 1 54 ? 8.999 0.333 32.014 1.00 10.73 ? 54 THR A HB 1 ATOM 749 H HG21 . THR A 1 54 ? 9.449 -1.930 31.495 1.00 11.32 ? 54 THR A HG21 1 ATOM 750 H HG22 . THR A 1 54 ? 10.251 -1.380 32.718 1.00 11.32 ? 54 THR A HG22 1 ATOM 751 H HG23 . THR A 1 54 ? 10.951 -1.528 31.329 1.00 11.32 ? 54 THR A HG23 1 ATOM 752 N N . ASP A 1 55 ? 9.183 2.373 28.902 1.00 10.08 ? 55 ASP A N 1 ATOM 753 C CA . ASP A 1 55 ? 8.656 3.688 28.691 1.00 10.98 ? 55 ASP A CA 1 ATOM 754 C C . ASP A 1 55 ? 7.733 3.682 27.497 1.00 9.90 ? 55 ASP A C 1 ATOM 755 O O . ASP A 1 55 ? 8.169 3.564 26.363 1.00 10.45 ? 55 ASP A O 1 ATOM 756 C CB . ASP A 1 55 ? 9.814 4.639 28.490 1.00 10.72 ? 55 ASP A CB 1 ATOM 757 C CG . ASP A 1 55 ? 9.406 6.092 28.467 1.00 12.22 ? 55 ASP A CG 1 ATOM 758 O OD1 . ASP A 1 55 ? 8.238 6.364 28.151 1.00 12.22 ? 55 ASP A OD1 1 ATOM 759 O OD2 . ASP A 1 55 ? 10.274 6.919 28.738 1.00 14.30 ? 55 ASP A OD2 1 ATOM 760 H H . ASP A 1 55 ? 10.005 2.183 28.349 1.00 9.91 ? 55 ASP A H 1 ATOM 761 H HA . ASP A 1 55 ? 8.172 3.987 29.487 1.00 27.67 ? 55 ASP A HA 1 ATOM 762 H HB2 . ASP A 1 55 ? 10.441 4.521 29.220 1.00 9.92 ? 55 ASP A HB2 1 ATOM 763 H HB3 . ASP A 1 55 ? 10.251 4.439 27.648 1.00 9.92 ? 55 ASP A HB3 1 ATOM 764 N N . PRO A 1 56 ? 6.434 3.793 27.699 1.00 11.36 ? 56 PRO A N 1 ATOM 765 C CA . PRO A 1 56 ? 5.524 3.722 26.580 1.00 11.98 ? 56 PRO A CA 1 ATOM 766 C C . PRO A 1 56 ? 5.624 4.872 25.601 1.00 10.72 ? 56 PRO A C 1 ATOM 767 O O . PRO A 1 56 ? 5.136 4.741 24.487 1.00 11.51 ? 56 PRO A O 1 ATOM 768 C CB . PRO A 1 56 ? 4.135 3.715 27.247 1.00 15.45 ? 56 PRO A CB 1 ATOM 769 C CG . PRO A 1 56 ? 4.341 4.322 28.564 1.00 22.71 ? 56 PRO A CG 1 ATOM 770 C CD . PRO A 1 56 ? 5.733 4.047 28.980 1.00 14.66 ? 56 PRO A CD 1 ATOM 771 H HA . PRO A 1 56 ? 5.646 2.878 26.096 1.00 11.87 ? 56 PRO A HA 1 ATOM 772 H HB2 . PRO A 1 56 ? 3.509 4.239 26.722 1.00 13.97 ? 56 PRO A HB2 1 ATOM 773 H HB3 . PRO A 1 56 ? 3.823 2.802 27.338 1.00 13.97 ? 56 PRO A HB3 1 ATOM 774 H HG2 . PRO A 1 56 ? 4.194 5.279 28.500 1.00 16.70 ? 56 PRO A HG2 1 ATOM 775 H HG3 . PRO A 1 56 ? 3.719 3.930 29.196 1.00 16.70 ? 56 PRO A HG3 1 ATOM 776 H HD2 . PRO A 1 56 ? 6.107 4.817 29.430 1.00 27.67 ? 56 PRO A HD2 1 ATOM 777 H HD3 . PRO A 1 56 ? 5.757 3.259 29.543 1.00 27.67 ? 56 PRO A HD3 1 ATOM 778 N N . SER A 1 57 ? 6.297 5.951 25.966 1.00 10.93 ? 57 SER A N 1 ATOM 779 C CA . SER A 1 57 ? 6.399 7.056 25.048 1.00 11.39 ? 57 SER A CA 1 ATOM 780 C C . SER A 1 57 ? 7.215 6.731 23.834 1.00 10.01 ? 57 SER A C 1 ATOM 781 O O . SER A 1 57 ? 7.134 7.465 22.865 1.00 10.78 ? 57 SER A O 1 ATOM 782 C CB . SER A 1 57 ? 6.979 8.281 25.728 1.00 12.48 ? 57 SER A CB 1 ATOM 783 O OG . SER A 1 57 ? 8.337 8.122 26.111 1.00 13.34 ? 57 SER A OG 1 ATOM 784 H H . SER A 1 57 ? 6.754 6.100 26.853 1.00 12.09 ? 57 SER A H 1 ATOM 785 H HA . SER A 1 57 ? 5.499 7.297 24.743 1.00 11.07 ? 57 SER A HA 1 ATOM 786 H HB2 . SER A 1 57 ? 6.918 9.030 25.116 1.00 15.93 ? 57 SER A HB2 1 ATOM 787 H HB3 . SER A 1 57 ? 6.456 8.468 26.523 1.00 15.93 ? 57 SER A HB3 1 ATOM 788 N N . MET A 1 58 ? 7.997 5.657 23.872 1.00 9.37 ? 58 MET A N 1 ATOM 789 C CA . MET A 1 58 ? 8.775 5.209 22.734 1.00 9.19 ? 58 MET A CA 1 ATOM 790 C C . MET A 1 58 ? 8.423 3.793 22.310 1.00 9.26 ? 58 MET A C 1 ATOM 791 O O . MET A 1 58 ? 9.115 3.209 21.490 1.00 9.41 ? 58 MET A O 1 ATOM 792 C CB . MET A 1 58 ? 10.245 5.334 23.029 1.00 10.08 ? 58 MET A CB 1 ATOM 793 C CG . MET A 1 58 ? 10.642 6.757 23.340 1.00 10.63 ? 58 MET A CG 1 ATOM 794 S SD . MET A 1 58 ? 12.306 6.980 23.889 1.00 10.87 ? 58 MET A SD 1 ATOM 795 C CE . MET A 1 58 ? 12.090 6.419 25.532 1.00 13.51 ? 58 MET A CE 1 ATOM 796 H H . MET A 1 58 ? 8.147 5.085 24.691 1.00 12.39 ? 58 MET A H 1 ATOM 797 H HA . MET A 1 58 ? 8.594 5.795 21.971 1.00 9.44 ? 58 MET A HA 1 ATOM 798 H HB2 . MET A 1 58 ? 10.462 4.781 23.794 1.00 12.19 ? 58 MET A HB2 1 ATOM 799 H HB3 . MET A 1 58 ? 10.754 5.047 22.255 1.00 12.19 ? 58 MET A HB3 1 ATOM 800 H HG2 . MET A 1 58 ? 10.525 7.292 22.541 1.00 11.45 ? 58 MET A HG2 1 ATOM 801 H HG3 . MET A 1 58 ? 10.067 7.097 24.042 1.00 11.45 ? 58 MET A HG3 1 ATOM 802 H HE1 . MET A 1 58 ? 11.569 7.065 26.016 1.00 12.19 ? 58 MET A HE1 1 ATOM 803 H HE2 . MET A 1 58 ? 12.952 6.321 25.942 1.00 12.19 ? 58 MET A HE2 1 ATOM 804 H HE3 . MET A 1 58 ? 11.637 5.574 25.524 1.00 12.19 ? 58 MET A HE3 1 ATOM 805 N N . LEU A 1 59 ? 7.304 3.303 22.832 1.00 9.38 ? 59 LEU A N 1 ATOM 806 C CA . LEU A 1 59 ? 6.739 1.981 22.604 1.00 9.66 ? 59 LEU A CA 1 ATOM 807 C C . LEU A 1 59 ? 7.497 0.953 23.418 1.00 9.15 ? 59 LEU A C 1 ATOM 808 O O . LEU A 1 59 ? 8.735 0.917 23.364 1.00 10.54 ? 59 LEU A O 1 ATOM 809 C CB . LEU A 1 59 ? 6.660 1.549 21.181 1.00 10.06 ? 59 LEU A CB 1 ATOM 810 C CG . LEU A 1 59 ? 6.034 2.558 20.223 1.00 10.95 ? 59 LEU A CG 1 ATOM 811 C CD1 . LEU A 1 59 ? 5.999 1.972 18.841 1.00 12.04 ? 59 LEU A CD1 1 ATOM 812 C CD2 . LEU A 1 59 ? 4.655 2.956 20.663 1.00 13.00 ? 59 LEU A CD2 1 ATOM 813 H H . LEU A 1 59 ? 6.709 3.835 23.444 1.00 12.39 ? 59 LEU A H 1 ATOM 814 H HA . LEU A 1 59 ? 5.822 1.997 22.945 1.00 12.39 ? 59 LEU A HA 1 ATOM 815 H HB2 . LEU A 1 59 ? 7.554 1.356 20.859 1.00 11.00 ? 59 LEU A HB2 1 ATOM 816 H HB3 . LEU A 1 59 ? 6.127 0.742 21.137 1.00 11.00 ? 59 LEU A HB3 1 ATOM 817 H HG . LEU A 1 59 ? 6.582 3.357 20.194 1.00 11.11 ? 59 LEU A HG 1 ATOM 818 H HD11 . LEU A 1 59 ? 6.886 1.699 18.595 1.00 11.40 ? 59 LEU A HD11 1 ATOM 819 H HD12 . LEU A 1 59 ? 5.680 2.638 18.227 1.00 11.40 ? 59 LEU A HD12 1 ATOM 820 H HD13 . LEU A 1 59 ? 5.410 1.215 18.838 1.00 11.40 ? 59 LEU A HD13 1 ATOM 821 H HD21 . LEU A 1 59 ? 4.175 2.171 20.937 1.00 11.61 ? 59 LEU A HD21 1 ATOM 822 H HD22 . LEU A 1 59 ? 4.199 3.379 19.931 1.00 11.61 ? 59 LEU A HD22 1 ATOM 823 H HD23 . LEU A 1 59 ? 4.725 3.570 21.398 1.00 11.61 ? 59 LEU A HD23 1 ATOM 824 N N . THR A 1 60 ? 6.769 0.112 24.136 1.00 9.58 ? 60 THR A N 1 ATOM 825 C CA . THR A 1 60 ? 7.442 -0.926 24.897 1.00 9.48 ? 60 THR A CA 1 ATOM 826 C C . THR A 1 60 ? 7.536 -2.251 24.188 1.00 9.57 ? 60 THR A C 1 ATOM 827 O O . THR A 1 60 ? 8.200 -3.158 24.696 1.00 11.28 ? 60 THR A O 1 ATOM 828 C CB . THR A 1 60 ? 6.816 -1.177 26.266 1.00 10.88 ? 60 THR A CB 1 ATOM 829 O OG1 . THR A 1 60 ? 5.518 -1.705 26.098 1.00 11.36 ? 60 THR A OG1 1 ATOM 830 C CG2 . THR A 1 60 ? 6.747 0.100 27.055 1.00 11.50 ? 60 THR A CG2 1 ATOM 831 H H . THR A 1 60 ? 5.762 0.116 24.213 1.00 12.39 ? 60 THR A H 1 ATOM 832 H HA . THR A 1 60 ? 8.363 -0.641 25.075 1.00 11.87 ? 60 THR A HA 1 ATOM 833 H HB . THR A 1 60 ? 7.359 -1.809 26.762 1.00 10.89 ? 60 THR A HB 1 ATOM 834 H HG21 . THR A 1 60 ? 7.561 0.597 26.952 1.00 11.87 ? 60 THR A HG21 1 ATOM 835 H HG22 . THR A 1 60 ? 6.619 -0.097 27.986 1.00 11.87 ? 60 THR A HG22 1 ATOM 836 H HG23 . THR A 1 60 ? 6.012 0.636 26.746 1.00 11.87 ? 60 THR A HG23 1 ATOM 837 N N . ASP A 1 61 ? 6.917 -2.383 23.020 1.00 9.04 ? 61 ASP A N 1 ATOM 838 C CA . ASP A 1 61 ? 7.138 -3.516 22.144 1.00 9.38 ? 61 ASP A CA 1 ATOM 839 C C . ASP A 1 61 ? 8.338 -3.214 21.263 1.00 9.13 ? 61 ASP A C 1 ATOM 840 O O . ASP A 1 61 ? 8.743 -2.069 21.113 1.00 9.36 ? 61 ASP A O 1 ATOM 841 C CB . ASP A 1 61 ? 5.938 -3.756 21.272 1.00 10.88 ? 61 ASP A CB 1 ATOM 842 C CG . ASP A 1 61 ? 4.674 -3.907 22.048 1.00 12.66 ? 61 ASP A CG 1 ATOM 843 O OD1 . ASP A 1 61 ? 4.630 -4.708 22.959 1.00 13.62 ? 61 ASP A OD1 1 ATOM 844 O OD2 . ASP A 1 61 ? 3.738 -3.126 21.806 1.00 18.65 ? 61 ASP A OD2 1 ATOM 845 H H . ASP A 1 61 ? 6.258 -1.713 22.650 1.00 11.42 ? 61 ASP A H 1 ATOM 846 H HA . ASP A 1 61 ? 7.314 -4.325 22.666 1.00 10.05 ? 61 ASP A HA 1 ATOM 847 H HB2 . ASP A 1 61 ? 5.833 -3.008 20.664 1.00 10.70 ? 61 ASP A HB2 1 ATOM 848 H HB3 . ASP A 1 61 ? 6.079 -4.572 20.773 1.00 10.70 ? 61 ASP A HB3 1 ATOM 849 N N . THR A 1 62 ? 8.907 -4.248 20.653 1.00 8.60 ? 62 THR A N 1 ATOM 850 C CA . THR A 1 62 ? 9.981 -4.039 19.699 1.00 8.69 ? 62 THR A CA 1 ATOM 851 C C . THR A 1 62 ? 10.081 -5.164 18.723 1.00 7.96 ? 62 THR A C 1 ATOM 852 O O . THR A 1 62 ? 9.509 -6.241 18.937 1.00 9.26 ? 62 THR A O 1 ATOM 853 C CB . THR A 1 62 ? 11.331 -3.759 20.410 1.00 8.89 ? 62 THR A CB 1 ATOM 854 O OG1 . THR A 1 62 ? 12.190 -3.120 19.493 1.00 9.35 ? 62 THR A OG1 1 ATOM 855 C CG2 . THR A 1 62 ? 11.970 -5.011 20.907 1.00 10.15 ? 62 THR A CG2 1 ATOM 856 H H . THR A 1 62 ? 8.651 -5.214 20.800 1.00 9.88 ? 62 THR A H 1 ATOM 857 H HA . THR A 1 62 ? 9.771 -3.242 19.169 1.00 8.50 ? 62 THR A HA 1 ATOM 858 H HB . THR A 1 62 ? 11.184 -3.173 21.168 1.00 9.12 ? 62 THR A HB 1 ATOM 859 H HG21 . THR A 1 62 ? 11.303 -5.615 21.243 1.00 10.65 ? 62 THR A HG21 1 ATOM 860 H HG22 . THR A 1 62 ? 12.582 -4.802 21.617 1.00 10.65 ? 62 THR A HG22 1 ATOM 861 H HG23 . THR A 1 62 ? 12.457 -5.441 20.200 1.00 10.65 ? 62 THR A HG23 1 ATOM 862 N N . SER A 1 63 ? 10.791 -4.933 17.635 1.00 7.95 ? 63 SER A N 1 ATOM 863 C CA . SER A 1 63 ? 11.089 -5.948 16.672 1.00 7.83 ? 63 SER A CA 1 ATOM 864 C C . SER A 1 63 ? 12.310 -5.452 15.931 1.00 7.66 ? 63 SER A C 1 ATOM 865 O O . SER A 1 63 ? 12.383 -4.261 15.703 1.00 8.20 ? 63 SER A O 1 ATOM 866 C CB . SER A 1 63 ? 9.943 -6.148 15.708 1.00 9.11 ? 63 SER A CB 1 ATOM 867 O OG . SER A 1 63 ? 10.138 -7.299 14.949 1.00 10.66 ? 63 SER A OG 1 ATOM 868 H H . SER A 1 63 ? 11.168 -4.024 17.403 1.00 8.50 ? 63 SER A H 1 ATOM 869 H HA . SER A 1 63 ? 11.301 -6.798 17.113 1.00 7.87 ? 63 SER A HA 1 ATOM 870 N N . ILE A 1 64 ? 13.254 -6.324 15.603 1.00 7.46 ? 64 ILE A N 1 ATOM 871 C CA . ILE A 1 64 ? 14.502 -5.869 15.022 1.00 7.54 ? 64 ILE A CA 1 ATOM 872 C C . ILE A 1 64 ? 14.735 -6.503 13.671 1.00 6.81 ? 64 ILE A C 1 ATOM 873 O O . ILE A 1 64 ? 14.548 -7.679 13.494 1.00 7.74 ? 64 ILE A O 1 ATOM 874 C CB . ILE A 1 64 ? 15.704 -6.201 15.928 1.00 8.83 ? 64 ILE A CB 1 ATOM 875 C CG1 A ILE A 1 64 ? 15.397 -6.180 17.421 0.40 10.12 ? 64 ILE A CG1 1 ATOM 876 C CG1 B ILE A 1 64 ? 15.519 -5.345 17.199 0.60 8.77 ? 64 ILE A CG1 1 ATOM 877 C CG2 A ILE A 1 64 ? 17.003 -5.517 15.442 0.40 10.19 ? 64 ILE A CG2 1 ATOM 878 C CG2 B ILE A 1 64 ? 16.998 -5.725 15.254 0.60 7.90 ? 64 ILE A CG2 1 ATOM 879 C CD1 A ILE A 1 64 ? 15.162 -4.786 17.903 0.40 10.91 ? 64 ILE A CD1 1 ATOM 880 C CD1 B ILE A 1 64 ? 16.579 -5.536 18.246 0.60 10.68 ? 64 ILE A CD1 1 ATOM 881 H H . ILE A 1 64 ? 13.181 -7.325 15.719 1.00 7.87 ? 64 ILE A H 1 ATOM 882 H HA . ILE A 1 64 ? 14.466 -4.897 14.896 1.00 9.85 ? 64 ILE A HA 1 ATOM 883 H HB . ILE A 1 64 ? 15.807 -7.166 15.942 1.00 9.09 ? 64 ILE A HB 1 ATOM 884 N N . HIS A 1 65 ? 15.075 -5.628 12.716 1.00 6.76 ? 65 HIS A N 1 ATOM 885 C CA . HIS A 1 65 ? 15.397 -6.042 11.384 1.00 6.72 ? 65 HIS A CA 1 ATOM 886 C C . HIS A 1 65 ? 16.891 -5.943 11.166 1.00 6.68 ? 65 HIS A C 1 ATOM 887 O O . HIS A 1 65 ? 17.570 -5.021 11.614 1.00 7.22 ? 65 HIS A O 1 ATOM 888 C CB . HIS A 1 65 ? 14.692 -5.136 10.409 1.00 7.41 ? 65 HIS A CB 1 ATOM 889 C CG . HIS A 1 65 ? 15.057 -5.319 8.973 1.00 6.85 ? 65 HIS A CG 1 ATOM 890 N ND1 . HIS A 1 65 ? 14.951 -6.482 8.292 1.00 7.15 ? 65 HIS A ND1 1 ATOM 891 C CD2 . HIS A 1 65 ? 15.443 -4.423 8.055 1.00 7.00 ? 65 HIS A CD2 1 ATOM 892 C CE1 . HIS A 1 65 ? 15.298 -6.300 7.040 1.00 6.91 ? 65 HIS A CE1 1 ATOM 893 N NE2 . HIS A 1 65 ? 15.597 -5.043 6.858 1.00 6.92 ? 65 HIS A NE2 1 ATOM 894 H H . HIS A 1 65 ? 15.139 -4.629 12.856 1.00 9.85 ? 65 HIS A H 1 ATOM 895 H HA . HIS A 1 65 ? 15.108 -6.962 11.233 1.00 7.00 ? 65 HIS A HA 1 ATOM 896 H HB2 . HIS A 1 65 ? 13.737 -5.287 10.487 1.00 9.85 ? 65 HIS A HB2 1 ATOM 897 H HB3 . HIS A 1 65 ? 14.894 -4.216 10.640 1.00 9.85 ? 65 HIS A HB3 1 ATOM 898 H HD1 . HIS A 1 65 ? 14.711 -7.234 8.633 1.00 7.20 ? 65 HIS A HD1 1 ATOM 899 H HD2 . HIS A 1 65 ? 15.590 -3.519 8.214 1.00 7.13 ? 65 HIS A HD2 1 ATOM 900 H HE1 . HIS A 1 65 ? 15.325 -6.956 6.385 1.00 7.20 ? 65 HIS A HE1 1 ATOM 901 N N . TRP A 1 66 ? 17.397 -6.922 10.420 1.00 6.65 ? 66 TRP A N 1 ATOM 902 C CA . TRP A 1 66 ? 18.794 -7.052 10.113 1.00 6.32 ? 66 TRP A CA 1 ATOM 903 C C . TRP A 1 66 ? 18.923 -6.645 8.686 1.00 6.35 ? 66 TRP A C 1 ATOM 904 O O . TRP A 1 66 ? 18.660 -7.399 7.746 1.00 6.86 ? 66 TRP A O 1 ATOM 905 C CB . TRP A 1 66 ? 19.260 -8.533 10.415 1.00 7.08 ? 66 TRP A CB 1 ATOM 906 C CG . TRP A 1 66 ? 18.605 -9.045 11.632 1.00 7.37 ? 66 TRP A CG 1 ATOM 907 C CD1 . TRP A 1 66 ? 17.446 -9.746 11.677 1.00 7.86 ? 66 TRP A CD1 1 ATOM 908 C CD2 . TRP A 1 66 ? 18.930 -8.745 12.988 1.00 7.34 ? 66 TRP A CD2 1 ATOM 909 N NE1 . TRP A 1 66 ? 17.054 -9.936 12.980 1.00 8.35 ? 66 TRP A NE1 1 ATOM 910 C CE2 . TRP A 1 66 ? 17.936 -9.307 13.804 1.00 8.49 ? 66 TRP A CE2 1 ATOM 911 C CE3 . TRP A 1 66 ? 19.951 -8.020 13.600 1.00 8.11 ? 66 TRP A CE3 1 ATOM 912 C CZ2 . TRP A 1 66 ? 17.934 -9.165 15.167 1.00 9.09 ? 66 TRP A CZ2 1 ATOM 913 C CZ3 . TRP A 1 66 ? 19.955 -7.890 14.943 1.00 9.13 ? 66 TRP A CZ3 1 ATOM 914 C CH2 . TRP A 1 66 ? 18.958 -8.466 15.729 1.00 9.87 ? 66 TRP A CH2 1 ATOM 915 H H . TRP A 1 66 ? 16.834 -7.640 9.988 1.00 7.00 ? 66 TRP A H 1 ATOM 916 H HA . TRP A 1 66 ? 19.329 -6.449 10.669 1.00 6.89 ? 66 TRP A HA 1 ATOM 917 H HB2 . TRP A 1 66 ? 19.027 -9.112 9.674 1.00 9.22 ? 66 TRP A HB2 1 ATOM 918 H HB3 . TRP A 1 66 ? 20.219 -8.543 10.559 1.00 9.22 ? 66 TRP A HB3 1 ATOM 919 H HD1 . TRP A 1 66 ? 17.001 -10.086 10.936 1.00 14.54 ? 66 TRP A HD1 1 ATOM 920 H HE1 . TRP A 1 66 ? 16.358 -10.368 13.229 1.00 16.21 ? 66 TRP A HE1 1 ATOM 921 H HE3 . TRP A 1 66 ? 20.592 -7.587 13.085 1.00 15.16 ? 66 TRP A HE3 1 ATOM 922 H HZ2 . TRP A 1 66 ? 17.304 -9.593 15.694 1.00 15.96 ? 66 TRP A HZ2 1 ATOM 923 H HZ3 . TRP A 1 66 ? 20.642 -7.414 15.353 1.00 15.43 ? 66 TRP A HZ3 1 ATOM 924 H HH2 . TRP A 1 66 ? 19.015 -8.406 16.656 1.00 15.70 ? 66 TRP A HH2 1 ATOM 925 N N . HIS A 1 67 ? 19.211 -5.373 8.496 1.00 6.25 ? 67 HIS A N 1 ATOM 926 C CA . HIS A 1 67 ? 19.044 -4.723 7.217 1.00 6.38 ? 67 HIS A CA 1 ATOM 927 C C . HIS A 1 67 ? 20.018 -5.220 6.211 1.00 6.53 ? 67 HIS A C 1 ATOM 928 O O . HIS A 1 67 ? 21.209 -5.069 6.347 1.00 7.43 ? 67 HIS A O 1 ATOM 929 C CB . HIS A 1 67 ? 19.189 -3.227 7.397 1.00 6.63 ? 67 HIS A CB 1 ATOM 930 C CG . HIS A 1 67 ? 19.014 -2.494 6.126 1.00 6.12 ? 67 HIS A CG 1 ATOM 931 N ND1 . HIS A 1 67 ? 17.957 -1.635 5.903 1.00 6.61 ? 67 HIS A ND1 1 ATOM 932 C CD2 . HIS A 1 67 ? 19.759 -2.564 4.992 1.00 7.24 ? 67 HIS A CD2 1 ATOM 933 C CE1 . HIS A 1 67 ? 18.121 -1.180 4.662 1.00 6.31 ? 67 HIS A CE1 1 ATOM 934 N NE2 . HIS A 1 67 ? 19.178 -1.726 4.103 1.00 6.99 ? 67 HIS A NE2 1 ATOM 935 H H . HIS A 1 67 ? 19.568 -4.764 9.219 1.00 6.89 ? 67 HIS A H 1 ATOM 936 H HA . HIS A 1 67 ? 18.139 -4.896 6.890 1.00 6.75 ? 67 HIS A HA 1 ATOM 937 H HB2 . HIS A 1 67 ? 18.518 -2.914 8.023 1.00 6.89 ? 67 HIS A HB2 1 ATOM 938 H HB3 . HIS A 1 67 ? 20.077 -3.030 7.732 1.00 6.89 ? 67 HIS A HB3 1 ATOM 939 H HD2 . HIS A 1 67 ? 20.530 -3.063 4.851 1.00 7.96 ? 67 HIS A HD2 1 ATOM 940 H HE1 . HIS A 1 67 ? 17.557 -0.575 4.240 1.00 7.96 ? 67 HIS A HE1 1 ATOM 941 H HE2 . HIS A 1 67 ? 19.459 -1.569 3.306 1.00 7.96 ? 67 HIS A HE2 1 ATOM 942 N N . GLY A 1 68 ? 19.468 -5.755 5.120 1.00 6.65 ? 68 GLY A N 1 ATOM 943 C CA . GLY A 1 68 ? 20.237 -6.201 4.007 1.00 6.54 ? 68 GLY A CA 1 ATOM 944 C C . GLY A 1 68 ? 20.557 -7.667 4.008 1.00 6.61 ? 68 GLY A C 1 ATOM 945 O O . GLY A 1 68 ? 21.096 -8.167 3.009 1.00 7.26 ? 68 GLY A O 1 ATOM 946 H H . GLY A 1 68 ? 18.475 -5.889 4.991 1.00 6.75 ? 68 GLY A H 1 ATOM 947 H HA2 . GLY A 1 68 ? 19.744 -6.010 3.196 1.00 7.12 ? 68 GLY A HA2 1 ATOM 948 H HA3 . GLY A 1 68 ? 21.072 -5.711 3.962 1.00 7.12 ? 68 GLY A HA3 1 ATOM 949 N N . LEU A 1 69 ? 20.278 -8.361 5.099 1.00 6.65 ? 69 LEU A N 1 ATOM 950 C CA . LEU A 1 69 ? 20.501 -9.785 5.167 1.00 7.09 ? 69 LEU A CA 1 ATOM 951 C C . LEU A 1 69 ? 19.306 -10.495 4.571 1.00 7.00 ? 69 LEU A C 1 ATOM 952 O O . LEU A 1 69 ? 18.167 -10.157 4.867 1.00 8.08 ? 69 LEU A O 1 ATOM 953 C CB . LEU A 1 69 ? 20.764 -10.240 6.603 1.00 8.03 ? 69 LEU A CB 1 ATOM 954 C CG . LEU A 1 69 ? 22.081 -9.708 7.202 1.00 9.36 ? 69 LEU A CG 1 ATOM 955 C CD1 A LEU A 1 69 ? 23.215 -9.745 6.181 0.50 9.78 ? 69 LEU A CD1 1 ATOM 956 C CD1 B LEU A 1 69 ? 22.059 -10.213 8.577 0.50 11.98 ? 69 LEU A CD1 1 ATOM 957 C CD2 A LEU A 1 69 ? 22.115 -8.312 7.739 0.50 6.66 ? 69 LEU A CD2 1 ATOM 958 C CD2 B LEU A 1 69 ? 23.360 -10.020 6.426 0.50 8.89 ? 69 LEU A CD2 1 ATOM 959 H H . LEU A 1 69 ? 19.890 -7.973 5.946 1.00 10.09 ? 69 LEU A H 1 ATOM 960 H HA . LEU A 1 69 ? 21.272 -10.020 4.614 1.00 9.91 ? 69 LEU A HA 1 ATOM 961 H HB2 . LEU A 1 69 ? 20.028 -9.934 7.156 1.00 10.09 ? 69 LEU A HB2 1 ATOM 962 H HB3 . LEU A 1 69 ? 20.803 -11.209 6.613 1.00 10.09 ? 69 LEU A HB3 1 ATOM 963 H HD11 A LEU A 1 69 ? 23.180 -10.574 5.698 0.50 9.91 ? 69 LEU A HD11 1 ATOM 964 H HD11 B LEU A 1 69 ? 21.213 -10.614 8.783 0.50 10.09 ? 69 LEU A HD11 1 ATOM 965 H HD12 A LEU A 1 69 ? 24.051 -9.681 6.649 0.50 9.91 ? 69 LEU A HD12 1 ATOM 966 H HD12 B LEU A 1 69 ? 22.219 -9.478 9.174 0.50 10.09 ? 69 LEU A HD12 1 ATOM 967 H HD13 A LEU A 1 69 ? 23.125 -9.004 5.578 0.50 9.91 ? 69 LEU A HD13 1 ATOM 968 H HD13 B LEU A 1 69 ? 22.759 -10.862 8.674 0.50 10.09 ? 69 LEU A HD13 1 ATOM 969 H HD21 A LEU A 1 69 ? 22.085 -7.693 7.006 0.50 7.73 ? 69 LEU A HD21 1 ATOM 970 H HD21 B LEU A 1 69 ? 23.361 -10.951 6.189 0.50 9.96 ? 69 LEU A HD21 1 ATOM 971 H HD22 A LEU A 1 69 ? 22.925 -8.190 8.238 0.50 7.73 ? 69 LEU A HD22 1 ATOM 972 H HD22 B LEU A 1 69 ? 24.118 -9.822 6.981 0.50 9.96 ? 69 LEU A HD22 1 ATOM 973 H HD23 A LEU A 1 69 ? 21.355 -8.181 8.311 0.50 7.73 ? 69 LEU A HD23 1 ATOM 974 H HD23 B LEU A 1 69 ? 23.383 -9.480 5.633 0.50 9.96 ? 69 LEU A HD23 1 ATOM 975 N N . PHE A 1 70 ? 19.558 -11.469 3.705 1.00 7.27 ? 70 PHE A N 1 ATOM 976 C CA . PHE A 1 70 ? 18.514 -11.992 2.884 1.00 7.52 ? 70 PHE A CA 1 ATOM 977 C C . PHE A 1 70 ? 17.522 -12.874 3.595 1.00 7.33 ? 70 PHE A C 1 ATOM 978 O O . PHE A 1 70 ? 16.383 -13.023 3.139 1.00 7.93 ? 70 PHE A O 1 ATOM 979 C CB . PHE A 1 70 ? 19.051 -12.724 1.678 1.00 7.59 ? 70 PHE A CB 1 ATOM 980 C CG . PHE A 1 70 ? 19.923 -11.904 0.792 1.00 8.43 ? 70 PHE A CG 1 ATOM 981 C CD1 . PHE A 1 70 ? 19.785 -10.543 0.627 1.00 8.31 ? 70 PHE A CD1 1 ATOM 982 C CD2 . PHE A 1 70 ? 20.891 -12.535 0.055 1.00 9.83 ? 70 PHE A CD2 1 ATOM 983 C CE1 . PHE A 1 70 ? 20.583 -9.857 -0.229 1.00 9.61 ? 70 PHE A CE1 1 ATOM 984 C CE2 . PHE A 1 70 ? 21.709 -11.841 -0.797 1.00 11.49 ? 70 PHE A CE2 1 ATOM 985 C CZ . PHE A 1 70 ? 21.538 -10.493 -0.935 1.00 10.53 ? 70 PHE A CZ 1 ATOM 986 H H . PHE A 1 70 ? 20.460 -11.904 3.572 1.00 9.91 ? 70 PHE A H 1 ATOM 987 H HA . PHE A 1 70 ? 17.991 -11.237 2.542 1.00 8.04 ? 70 PHE A HA 1 ATOM 988 H HB2 . PHE A 1 70 ? 19.568 -13.484 1.987 1.00 8.04 ? 70 PHE A HB2 1 ATOM 989 H HB3 . PHE A 1 70 ? 18.303 -13.035 1.143 1.00 8.04 ? 70 PHE A HB3 1 ATOM 990 H HD1 . PHE A 1 70 ? 19.128 -10.081 1.093 1.00 8.04 ? 70 PHE A HD1 1 ATOM 991 H HD2 . PHE A 1 70 ? 21.003 -13.455 0.142 1.00 8.04 ? 70 PHE A HD2 1 ATOM 992 H HE1 . PHE A 1 70 ? 20.480 -8.937 -0.317 1.00 8.04 ? 70 PHE A HE1 1 ATOM 993 H HE2 . PHE A 1 70 ? 22.365 -12.283 -1.284 1.00 8.04 ? 70 PHE A HE2 1 ATOM 994 H HZ . PHE A 1 70 ? 22.092 -10.011 -1.506 1.00 8.04 ? 70 PHE A HZ 1 ATOM 995 N N . GLN A 1 71 ? 17.926 -13.509 4.697 1.00 7.28 ? 71 GLN A N 1 ATOM 996 C CA . GLN A 1 71 ? 17.000 -14.290 5.513 1.00 7.62 ? 71 GLN A CA 1 ATOM 997 C C . GLN A 1 71 ? 16.369 -15.432 4.714 1.00 8.05 ? 71 GLN A C 1 ATOM 998 O O . GLN A 1 71 ? 15.240 -15.814 4.959 1.00 8.35 ? 71 GLN A O 1 ATOM 999 C CB . GLN A 1 71 ? 15.928 -13.427 6.149 1.00 8.00 ? 71 GLN A CB 1 ATOM 1000 C CG . GLN A 1 71 ? 16.488 -12.391 7.074 1.00 7.93 ? 71 GLN A CG 1 ATOM 1001 C CD . GLN A 1 71 ? 17.094 -12.915 8.341 1.00 8.29 ? 71 GLN A CD 1 ATOM 1002 O OE1 . GLN A 1 71 ? 17.056 -14.123 8.638 1.00 9.49 ? 71 GLN A OE1 1 ATOM 1003 N NE2 . GLN A 1 71 ? 17.652 -12.020 9.111 1.00 9.14 ? 71 GLN A NE2 1 ATOM 1004 H H . GLN A 1 71 ? 18.873 -13.510 5.046 1.00 7.50 ? 71 GLN A H 1 ATOM 1005 H HA . GLN A 1 71 ? 17.515 -14.707 6.233 1.00 7.88 ? 71 GLN A HA 1 ATOM 1006 H HB2 . GLN A 1 71 ? 15.421 -12.971 5.461 1.00 8.14 ? 71 GLN A HB2 1 ATOM 1007 H HB3 . GLN A 1 71 ? 15.335 -13.990 6.670 1.00 8.14 ? 71 GLN A HB3 1 ATOM 1008 H HG2 . GLN A 1 71 ? 17.176 -11.893 6.607 1.00 12.16 ? 71 GLN A HG2 1 ATOM 1009 H HG3 . GLN A 1 71 ? 15.770 -11.788 7.326 1.00 12.15 ? 71 GLN A HG3 1 ATOM 1010 H HE21 . GLN A 1 71 ? 17.683 -12.146 9.961 1.00 12.74 ? 71 GLN A HE21 1 ATOM 1011 H HE22 . GLN A 1 71 ? 17.989 -11.305 8.771 1.00 12.72 ? 71 GLN A HE22 1 ATOM 1012 N N . LYS A 1 72 ? 17.137 -16.008 3.787 1.00 8.64 ? 72 LYS A N 1 ATOM 1013 C CA . LYS A 1 72 ? 16.564 -17.091 2.996 1.00 9.11 ? 72 LYS A CA 1 ATOM 1014 C C . LYS A 1 72 ? 16.262 -18.277 3.875 1.00 8.98 ? 72 LYS A C 1 ATOM 1015 O O . LYS A 1 72 ? 17.149 -18.810 4.535 1.00 10.02 ? 72 LYS A O 1 ATOM 1016 C CB . LYS A 1 72 ? 17.483 -17.451 1.864 1.00 9.10 ? 72 LYS A CB 1 ATOM 1017 C CG . LYS A 1 72 ? 16.900 -18.542 0.974 1.00 10.62 ? 72 LYS A CG 1 ATOM 1018 C CD . LYS A 1 72 ? 17.704 -18.762 -0.283 1.00 15.59 ? 72 LYS A CD 1 ATOM 1019 C CE . LYS A 1 72 ? 17.222 -19.900 -1.158 1.00 18.25 ? 72 LYS A CE 1 ATOM 1020 N NZ A LYS A 1 72 ? 17.617 -19.754 -2.594 0.50 15.04 ? 72 LYS A NZ 1 ATOM 1021 N NZ B LYS A 1 72 ? 15.767 -20.063 -1.280 0.50 22.08 ? 72 LYS A NZ 1 ATOM 1022 H H . LYS A 1 72 ? 18.097 -15.773 3.575 1.00 8.59 ? 72 LYS A H 1 ATOM 1023 H HA . LYS A 1 72 ? 15.724 -16.781 2.605 1.00 9.36 ? 72 LYS A HA 1 ATOM 1024 H HB2 . LYS A 1 72 ? 17.636 -16.665 1.316 1.00 9.41 ? 72 LYS A HB2 1 ATOM 1025 H HB3 . LYS A 1 72 ? 18.322 -17.775 2.226 1.00 9.41 ? 72 LYS A HB3 1 ATOM 1026 H HG2 . LYS A 1 72 ? 16.882 -19.379 1.464 1.00 10.65 ? 72 LYS A HG2 1 ATOM 1027 H HG3 . LYS A 1 72 ? 15.999 -18.286 0.719 1.00 10.65 ? 72 LYS A HG3 1 ATOM 1028 H HD2 . LYS A 1 72 ? 17.674 -17.951 -0.813 1.00 14.58 ? 72 LYS A HD2 1 ATOM 1029 H HD3 . LYS A 1 72 ? 18.622 -18.954 -0.032 1.00 14.58 ? 72 LYS A HD3 1 ATOM 1030 N N . GLY A 1 73 ? 14.999 -18.695 3.889 1.00 9.45 ? 73 GLY A N 1 ATOM 1031 C CA . GLY A 1 73 ? 14.561 -19.746 4.748 1.00 9.92 ? 73 GLY A CA 1 ATOM 1032 C C . GLY A 1 73 ? 14.329 -19.362 6.167 1.00 10.32 ? 73 GLY A C 1 ATOM 1033 O O . GLY A 1 73 ? 13.883 -20.201 6.964 1.00 11.03 ? 73 GLY A O 1 ATOM 1034 H H . GLY A 1 73 ? 14.264 -18.316 3.309 1.00 9.36 ? 73 GLY A H 1 ATOM 1035 H HA2 . GLY A 1 73 ? 13.724 -20.080 4.399 1.00 10.01 ? 73 GLY A HA2 1 ATOM 1036 H HA3 . GLY A 1 73 ? 15.203 -20.473 4.730 1.00 10.01 ? 73 GLY A HA3 1 ATOM 1037 N N . THR A 1 74 ? 14.546 -18.110 6.515 1.00 9.00 ? 74 THR A N 1 ATOM 1038 C CA . THR A 1 74 ? 14.316 -17.585 7.833 1.00 9.15 ? 74 THR A CA 1 ATOM 1039 C C . THR A 1 74 ? 13.576 -16.250 7.741 1.00 8.51 ? 74 THR A C 1 ATOM 1040 O O . THR A 1 74 ? 13.839 -15.316 8.473 1.00 8.76 ? 74 THR A O 1 ATOM 1041 C CB . THR A 1 74 ? 15.581 -17.433 8.647 1.00 9.26 ? 74 THR A CB 1 ATOM 1042 O OG1 . THR A 1 74 ? 16.524 -16.657 7.919 1.00 9.24 ? 74 THR A OG1 1 ATOM 1043 C CG2 . THR A 1 74 ? 16.196 -18.761 8.984 1.00 10.29 ? 74 THR A CG2 1 ATOM 1044 H H . THR A 1 74 ? 14.882 -17.400 5.887 1.00 9.17 ? 74 THR A H 1 ATOM 1045 H HA . THR A 1 74 ? 13.731 -18.197 8.327 1.00 9.16 ? 74 THR A HA 1 ATOM 1046 H HB . THR A 1 74 ? 15.378 -16.986 9.483 1.00 9.51 ? 74 THR A HB 1 ATOM 1047 H HG21 . THR A 1 74 ? 15.554 -19.314 9.435 1.00 10.87 ? 74 THR A HG21 1 ATOM 1048 H HG22 . THR A 1 74 ? 16.956 -18.635 9.556 1.00 10.87 ? 74 THR A HG22 1 ATOM 1049 H HG23 . THR A 1 74 ? 16.480 -19.204 8.181 1.00 10.87 ? 74 THR A HG23 1 ATOM 1050 N N . ASN A 1 75 ? 12.545 -16.222 6.894 1.00 8.43 ? 75 ASN A N 1 ATOM 1051 C CA . ASN A 1 75 ? 11.760 -14.993 6.763 1.00 8.04 ? 75 ASN A CA 1 ATOM 1052 C C . ASN A 1 75 ? 11.208 -14.535 8.073 1.00 8.02 ? 75 ASN A C 1 ATOM 1053 O O . ASN A 1 75 ? 11.057 -13.341 8.320 1.00 8.04 ? 75 ASN A O 1 ATOM 1054 C CB . ASN A 1 75 ? 10.671 -15.220 5.712 1.00 8.33 ? 75 ASN A CB 1 ATOM 1055 C CG . ASN A 1 75 ? 9.709 -14.067 5.574 1.00 8.07 ? 75 ASN A CG 1 ATOM 1056 O OD1 . ASN A 1 75 ? 8.665 -14.046 6.212 1.00 9.10 ? 75 ASN A OD1 1 ATOM 1057 N ND2 . ASN A 1 75 ? 10.017 -13.129 4.707 1.00 8.12 ? 75 ASN A ND2 1 ATOM 1058 H H . ASN A 1 75 ? 12.243 -16.993 6.316 1.00 8.67 ? 75 ASN A H 1 ATOM 1059 H HA . ASN A 1 75 ? 12.348 -14.284 6.429 1.00 8.28 ? 75 ASN A HA 1 ATOM 1060 H HB2 . ASN A 1 75 ? 11.093 -15.361 4.849 1.00 8.67 ? 75 ASN A HB2 1 ATOM 1061 H HB3 . ASN A 1 75 ? 10.156 -16.004 5.958 1.00 8.67 ? 75 ASN A HB3 1 ATOM 1062 H HD21 . ASN A 1 75 ? 10.106 -12.198 5.002 1.00 8.71 ? 75 ASN A HD21 1 ATOM 1063 H HD22 . ASN A 1 75 ? 10.158 -13.360 3.766 1.00 8.71 ? 75 ASN A HD22 1 ATOM 1064 N N . TRP A 1 76 ? 10.884 -15.499 8.946 1.00 8.39 ? 76 TRP A N 1 ATOM 1065 C CA . TRP A 1 76 ? 10.360 -15.205 10.259 1.00 8.74 ? 76 TRP A CA 1 ATOM 1066 C C . TRP A 1 76 ? 11.276 -14.395 11.130 1.00 8.41 ? 76 TRP A C 1 ATOM 1067 O O . TRP A 1 76 ? 10.842 -13.855 12.143 1.00 8.98 ? 76 TRP A O 1 ATOM 1068 C CB . TRP A 1 76 ? 9.962 -16.513 10.973 1.00 9.52 ? 76 TRP A CB 1 ATOM 1069 C CG . TRP A 1 76 ? 11.150 -17.402 11.180 1.00 9.80 ? 76 TRP A CG 1 ATOM 1070 C CD1 . TRP A 1 76 ? 11.552 -18.436 10.380 1.00 9.69 ? 76 TRP A CD1 1 ATOM 1071 C CD2 . TRP A 1 76 ? 12.127 -17.337 12.249 1.00 9.94 ? 76 TRP A CD2 1 ATOM 1072 N NE1 . TRP A 1 76 ? 12.697 -18.995 10.870 1.00 11.30 ? 76 TRP A NE1 1 ATOM 1073 C CE2 . TRP A 1 76 ? 13.057 -18.337 12.017 1.00 10.80 ? 76 TRP A CE2 1 ATOM 1074 C CE3 . TRP A 1 76 ? 12.263 -16.551 13.394 1.00 10.41 ? 76 TRP A CE3 1 ATOM 1075 C CZ2 . TRP A 1 76 ? 14.114 -18.584 12.881 1.00 12.30 ? 76 TRP A CZ2 1 ATOM 1076 C CZ3 . TRP A 1 76 ? 13.295 -16.793 14.250 1.00 11.08 ? 76 TRP A CZ3 1 ATOM 1077 C CH2 . TRP A 1 76 ? 14.216 -17.801 13.979 1.00 12.96 ? 76 TRP A CH2 1 ATOM 1078 H H . TRP A 1 76 ? 10.947 -16.482 8.736 1.00 11.80 ? 76 TRP A H 1 ATOM 1079 H HA . TRP A 1 76 ? 9.540 -14.681 10.144 1.00 8.92 ? 76 TRP A HA 1 ATOM 1080 H HB2 . TRP A 1 76 ? 9.587 -16.305 11.840 1.00 13.57 ? 76 TRP A HB2 1 ATOM 1081 H HB3 . TRP A 1 76 ? 9.314 -16.989 10.431 1.00 13.57 ? 76 TRP A HB3 1 ATOM 1082 H HD1 . TRP A 1 76 ? 11.140 -18.683 9.584 1.00 11.80 ? 76 TRP A HD1 1 ATOM 1083 H HE1 . TRP A 1 76 ? 13.122 -19.653 10.517 1.00 11.80 ? 76 TRP A HE1 1 ATOM 1084 H HE3 . TRP A 1 76 ? 11.651 -15.877 13.578 1.00 11.80 ? 76 TRP A HE3 1 ATOM 1085 H HZ2 . TRP A 1 76 ? 14.726 -19.264 12.714 1.00 11.80 ? 76 TRP A HZ2 1 ATOM 1086 H HZ3 . TRP A 1 76 ? 13.409 -16.253 14.999 1.00 11.80 ? 76 TRP A HZ3 1 ATOM 1087 H HH2 . TRP A 1 76 ? 14.925 -17.935 14.563 1.00 11.80 ? 76 TRP A HH2 1 ATOM 1088 N N . ALA A 1 77 ? 12.559 -14.352 10.797 1.00 8.07 ? 77 ALA A N 1 ATOM 1089 C CA . ALA A 1 77 ? 13.593 -13.653 11.582 1.00 8.29 ? 77 ALA A CA 1 ATOM 1090 C C . ALA A 1 77 ? 13.898 -12.269 10.998 1.00 7.60 ? 77 ALA A C 1 ATOM 1091 O O . ALA A 1 77 ? 14.769 -11.601 11.479 1.00 7.97 ? 77 ALA A O 1 ATOM 1092 C CB . ALA A 1 77 ? 14.846 -14.480 11.631 1.00 8.57 ? 77 ALA A CB 1 ATOM 1093 H H . ALA A 1 77 ? 12.950 -14.807 9.988 1.00 8.98 ? 77 ALA A H 1 ATOM 1094 H HA . ALA A 1 77 ? 13.284 -13.530 12.504 1.00 8.35 ? 77 ALA A HA 1 ATOM 1095 H HB1 . ALA A 1 77 ? 14.620 -15.371 11.907 1.00 8.98 ? 77 ALA A HB1 1 ATOM 1096 H HB2 . ALA A 1 77 ? 15.456 -14.087 12.261 1.00 8.98 ? 77 ALA A HB2 1 ATOM 1097 H HB3 . ALA A 1 77 ? 15.244 -14.498 10.758 1.00 8.98 ? 77 ALA A HB3 1 ATOM 1098 N N . ASP A 1 78 ? 13.173 -11.862 9.947 1.00 7.49 ? 78 ASP A N 1 ATOM 1099 C CA . ASP A 1 78 ? 13.520 -10.645 9.253 1.00 7.37 ? 78 ASP A CA 1 ATOM 1100 C C . ASP A 1 78 ? 13.259 -9.397 10.047 1.00 7.28 ? 78 ASP A C 1 ATOM 1101 O O . ASP A 1 78 ? 13.932 -8.389 9.853 1.00 7.61 ? 78 ASP A O 1 ATOM 1102 C CB . ASP A 1 78 ? 12.785 -10.610 7.934 1.00 7.05 ? 78 ASP A CB 1 ATOM 1103 C CG . ASP A 1 78 ? 13.233 -9.523 6.985 1.00 7.07 ? 78 ASP A CG 1 ATOM 1104 O OD1 . ASP A 1 78 ? 14.453 -9.322 6.854 1.00 7.40 ? 78 ASP A OD1 1 ATOM 1105 O OD2 . ASP A 1 78 ? 12.352 -8.903 6.365 1.00 7.59 ? 78 ASP A OD2 1 ATOM 1106 H H . ASP A 1 78 ? 12.362 -12.334 9.575 1.00 7.80 ? 78 ASP A H 1 ATOM 1107 H HA . ASP A 1 78 ? 14.479 -10.667 9.052 1.00 7.47 ? 78 ASP A HA 1 ATOM 1108 H HB2 . ASP A 1 78 ? 12.921 -11.459 7.483 1.00 7.80 ? 78 ASP A HB2 1 ATOM 1109 H HB3 . ASP A 1 78 ? 11.840 -10.484 8.108 1.00 7.80 ? 78 ASP A HB3 1 ATOM 1110 N N . GLY A 1 79 ? 12.238 -9.394 10.909 1.00 7.27 ? 79 GLY A N 1 ATOM 1111 C CA . GLY A 1 79 ? 11.972 -8.292 11.786 1.00 7.44 ? 79 GLY A CA 1 ATOM 1112 C C . GLY A 1 79 ? 10.878 -7.284 11.483 1.00 7.39 ? 79 GLY A C 1 ATOM 1113 O O . GLY A 1 79 ? 10.497 -6.633 12.424 1.00 8.22 ? 79 GLY A O 1 ATOM 1114 H H . GLY A 1 79 ? 11.577 -10.151 11.009 1.00 7.57 ? 79 GLY A H 1 ATOM 1115 H HA2 . GLY A 1 79 ? 11.771 -8.663 12.659 1.00 7.67 ? 79 GLY A HA2 1 ATOM 1116 H HA3 . GLY A 1 79 ? 12.785 -7.776 11.884 1.00 7.67 ? 79 GLY A HA3 1 ATOM 1117 N N . PRO A 1 80 ? 10.443 -7.041 10.263 1.00 6.89 ? 80 PRO A N 1 ATOM 1118 C CA . PRO A 1 80 ? 9.441 -5.982 10.131 1.00 7.08 ? 80 PRO A CA 1 ATOM 1119 C C . PRO A 1 80 ? 8.139 -6.353 10.806 1.00 7.34 ? 80 PRO A C 1 ATOM 1120 O O . PRO A 1 80 ? 7.497 -7.347 10.469 1.00 8.00 ? 80 PRO A O 1 ATOM 1121 C CB . PRO A 1 80 ? 9.298 -5.785 8.649 1.00 7.48 ? 80 PRO A CB 1 ATOM 1122 C CG . PRO A 1 80 ? 9.740 -7.112 8.051 1.00 7.14 ? 80 PRO A CG 1 ATOM 1123 C CD . PRO A 1 80 ? 10.872 -7.565 8.973 1.00 7.31 ? 80 PRO A CD 1 ATOM 1124 H HA . PRO A 1 80 ? 9.774 -5.149 10.513 1.00 9.68 ? 80 PRO A HA 1 ATOM 1125 H HB2 . PRO A 1 80 ? 8.374 -5.594 8.423 1.00 7.67 ? 80 PRO A HB2 1 ATOM 1126 H HB3 . PRO A 1 80 ? 9.879 -5.066 8.357 1.00 7.67 ? 80 PRO A HB3 1 ATOM 1127 H HG2 . PRO A 1 80 ? 9.011 -7.750 8.070 1.00 7.26 ? 80 PRO A HG2 1 ATOM 1128 H HG3 . PRO A 1 80 ? 10.061 -6.977 7.146 1.00 7.26 ? 80 PRO A HG3 1 ATOM 1129 H HD2 . PRO A 1 80 ? 10.917 -8.529 8.982 1.00 7.80 ? 80 PRO A HD2 1 ATOM 1130 H HD3 . PRO A 1 80 ? 11.714 -7.166 8.703 1.00 7.80 ? 80 PRO A HD3 1 ATOM 1131 N N . ALA A 1 81 ? 7.730 -5.518 11.743 1.00 8.15 ? 81 ALA A N 1 ATOM 1132 C CA . ALA A 1 81 ? 6.529 -5.816 12.502 1.00 8.90 ? 81 ALA A CA 1 ATOM 1133 C C . ALA A 1 81 ? 5.332 -5.871 11.589 1.00 8.19 ? 81 ALA A C 1 ATOM 1134 O O . ALA A 1 81 ? 5.115 -5.022 10.748 1.00 8.99 ? 81 ALA A O 1 ATOM 1135 C CB . ALA A 1 81 ? 6.340 -4.763 13.572 1.00 10.71 ? 81 ALA A CB 1 ATOM 1136 H H . ALA A 1 81 ? 8.190 -4.654 11.995 1.00 9.68 ? 81 ALA A H 1 ATOM 1137 H HA . ALA A 1 81 ? 6.638 -6.684 12.944 1.00 8.72 ? 81 ALA A HA 1 ATOM 1138 H HB1 . ALA A 1 81 ? 7.116 -4.750 14.137 1.00 9.68 ? 81 ALA A HB1 1 ATOM 1139 H HB2 . ALA A 1 81 ? 5.561 -4.980 14.089 1.00 9.68 ? 81 ALA A HB2 1 ATOM 1140 H HB3 . ALA A 1 81 ? 6.226 -3.908 13.151 1.00 9.68 ? 81 ALA A HB3 1 ATOM 1141 N N . PHE A 1 82 ? 4.540 -6.915 11.801 1.00 8.13 ? 82 PHE A N 1 ATOM 1142 C CA . PHE A 1 82 ? 3.309 -7.172 11.070 1.00 8.57 ? 82 PHE A CA 1 ATOM 1143 C C . PHE A 1 82 ? 3.532 -7.562 9.634 1.00 8.10 ? 82 PHE A C 1 ATOM 1144 O O . PHE A 1 82 ? 2.572 -7.788 8.916 1.00 9.22 ? 82 PHE A O 1 ATOM 1145 C CB . PHE A 1 82 ? 2.280 -6.058 11.253 1.00 9.11 ? 82 PHE A CB 1 ATOM 1146 C CG . PHE A 1 82 ? 2.092 -5.718 12.667 1.00 10.60 ? 82 PHE A CG 1 ATOM 1147 C CD1 . PHE A 1 82 ? 1.416 -6.573 13.516 1.00 12.97 ? 82 PHE A CD1 1 ATOM 1148 C CD2 . PHE A 1 82 ? 2.674 -4.559 13.196 1.00 11.83 ? 82 PHE A CD2 1 ATOM 1149 C CE1 . PHE A 1 82 ? 1.276 -6.251 14.849 1.00 14.13 ? 82 PHE A CE1 1 ATOM 1150 C CE2 . PHE A 1 82 ? 2.550 -4.250 14.535 1.00 12.95 ? 82 PHE A CE2 1 ATOM 1151 C CZ . PHE A 1 82 ? 1.874 -5.110 15.354 1.00 14.14 ? 82 PHE A CZ 1 ATOM 1152 H H . PHE A 1 82 ? 4.726 -7.624 12.496 1.00 8.72 ? 82 PHE A H 1 ATOM 1153 H HA . PHE A 1 82 ? 2.907 -7.962 11.487 1.00 8.83 ? 82 PHE A HA 1 ATOM 1154 H HB2 . PHE A 1 82 ? 2.573 -5.267 10.777 1.00 10.60 ? 82 PHE A HB2 1 ATOM 1155 H HB3 . PHE A 1 82 ? 1.429 -6.360 10.900 1.00 10.60 ? 82 PHE A HB3 1 ATOM 1156 H HD1 . PHE A 1 82 ? 1.031 -7.352 13.183 1.00 10.60 ? 82 PHE A HD1 1 ATOM 1157 H HD2 . PHE A 1 82 ? 3.153 -3.990 12.639 1.00 10.60 ? 82 PHE A HD2 1 ATOM 1158 H HE1 . PHE A 1 82 ? 0.816 -6.824 15.418 1.00 10.60 ? 82 PHE A HE1 1 ATOM 1159 H HE2 . PHE A 1 82 ? 2.930 -3.473 14.877 1.00 10.60 ? 82 PHE A HE2 1 ATOM 1160 H HZ . PHE A 1 82 ? 1.763 -4.895 16.251 1.00 10.60 ? 82 PHE A HZ 1 ATOM 1161 N N . VAL A 1 83 ? 4.795 -7.744 9.241 1.00 7.75 ? 83 VAL A N 1 ATOM 1162 C CA . VAL A 1 83 ? 5.105 -8.364 7.986 1.00 7.96 ? 83 VAL A CA 1 ATOM 1163 C C . VAL A 1 83 ? 5.613 -9.759 8.254 1.00 7.87 ? 83 VAL A C 1 ATOM 1164 O O . VAL A 1 83 ? 5.060 -10.723 7.723 1.00 8.83 ? 83 VAL A O 1 ATOM 1165 C CB . VAL A 1 83 ? 6.077 -7.520 7.131 1.00 7.76 ? 83 VAL A CB 1 ATOM 1166 C CG1 . VAL A 1 83 ? 6.378 -8.199 5.815 1.00 8.39 ? 83 VAL A CG1 1 ATOM 1167 C CG2 . VAL A 1 83 ? 5.499 -6.138 6.915 1.00 8.77 ? 83 VAL A CG2 1 ATOM 1168 H H . VAL A 1 83 ? 5.616 -7.472 9.757 1.00 7.94 ? 83 VAL A H 1 ATOM 1169 H HA . VAL A 1 83 ? 4.285 -8.458 7.458 1.00 9.35 ? 83 VAL A HA 1 ATOM 1170 H HB . VAL A 1 83 ? 6.918 -7.418 7.619 1.00 7.26 ? 83 VAL A HB 1 ATOM 1171 H HG11 . VAL A 1 83 ? 7.041 -8.878 5.958 1.00 9.31 ? 83 VAL A HG11 1 ATOM 1172 H HG12 . VAL A 1 83 ? 6.711 -7.550 5.190 1.00 9.31 ? 83 VAL A HG12 1 ATOM 1173 H HG13 . VAL A 1 83 ? 5.573 -8.595 5.474 1.00 9.31 ? 83 VAL A HG13 1 ATOM 1174 H HG21 . VAL A 1 83 ? 4.601 -6.224 6.587 1.00 9.29 ? 83 VAL A HG21 1 ATOM 1175 H HG22 . VAL A 1 83 ? 6.038 -5.666 6.276 1.00 9.29 ? 83 VAL A HG22 1 ATOM 1176 H HG23 . VAL A 1 83 ? 5.499 -5.664 7.750 1.00 9.29 ? 83 VAL A HG23 1 ATOM 1177 N N . THR A 1 84 ? 6.639 -9.889 9.075 1.00 7.39 ? 84 THR A N 1 ATOM 1178 C CA . THR A 1 84 ? 7.205 -11.195 9.376 1.00 7.68 ? 84 THR A CA 1 ATOM 1179 C C . THR A 1 84 ? 7.035 -11.653 10.791 1.00 8.04 ? 84 THR A C 1 ATOM 1180 O O . THR A 1 84 ? 7.307 -12.816 11.059 1.00 9.43 ? 84 THR A O 1 ATOM 1181 C CB . THR A 1 84 ? 8.682 -11.257 8.956 1.00 7.92 ? 84 THR A CB 1 ATOM 1182 O OG1 . THR A 1 84 ? 9.381 -10.279 9.697 1.00 8.06 ? 84 THR A OG1 1 ATOM 1183 C CG2 . THR A 1 84 ? 8.844 -10.979 7.489 1.00 8.08 ? 84 THR A CG2 1 ATOM 1184 H H . THR A 1 84 ? 7.113 -9.122 9.529 1.00 7.94 ? 84 THR A H 1 ATOM 1185 H HA . THR A 1 84 ? 6.749 -11.866 8.828 1.00 8.03 ? 84 THR A HA 1 ATOM 1186 H HB . THR A 1 84 ? 9.038 -12.135 9.152 1.00 8.28 ? 84 THR A HB 1 ATOM 1187 H HG21 . THR A 1 84 ? 8.190 -11.470 6.987 1.00 8.03 ? 84 THR A HG21 1 ATOM 1188 H HG22 . THR A 1 84 ? 9.721 -11.243 7.201 1.00 8.03 ? 84 THR A HG22 1 ATOM 1189 H HG23 . THR A 1 84 ? 8.729 -10.041 7.317 1.00 8.03 ? 84 THR A HG23 1 ATOM 1190 N N . GLN A 1 85 ? 6.588 -10.786 11.693 1.00 8.11 ? 85 GLN A N 1 ATOM 1191 C CA . GLN A 1 85 ? 6.365 -11.206 13.064 1.00 8.69 ? 85 GLN A CA 1 ATOM 1192 C C . GLN A 1 85 ? 5.453 -10.243 13.737 1.00 8.84 ? 85 GLN A C 1 ATOM 1193 O O . GLN A 1 85 ? 5.321 -9.085 13.333 1.00 8.99 ? 85 GLN A O 1 ATOM 1194 C CB . GLN A 1 85 ? 7.650 -11.265 13.885 1.00 8.52 ? 85 GLN A CB 1 ATOM 1195 C CG . GLN A 1 85 ? 8.299 -9.915 14.112 1.00 8.31 ? 85 GLN A CG 1 ATOM 1196 C CD . GLN A 1 85 ? 9.504 -10.033 15.008 1.00 8.64 ? 85 GLN A CD 1 ATOM 1197 O OE1 . GLN A 1 85 ? 10.617 -10.185 14.536 1.00 8.77 ? 85 GLN A OE1 1 ATOM 1198 N NE2 . GLN A 1 85 ? 9.271 -10.035 16.306 1.00 9.40 ? 85 GLN A NE2 1 ATOM 1199 H H . GLN A 1 85 ? 6.380 -9.813 11.518 1.00 7.94 ? 85 GLN A H 1 ATOM 1200 H HA . GLN A 1 85 ? 5.942 -12.088 13.074 1.00 10.97 ? 85 GLN A HA 1 ATOM 1201 H HB2 . GLN A 1 85 ? 7.446 -11.644 14.754 1.00 8.61 ? 85 GLN A HB2 1 ATOM 1202 H HB3 . GLN A 1 85 ? 8.290 -11.830 13.424 1.00 8.61 ? 85 GLN A HB3 1 ATOM 1203 H HG2 . GLN A 1 85 ? 8.588 -9.551 13.260 1.00 11.83 ? 85 GLN A HG2 1 ATOM 1204 H HG3 . GLN A 1 85 ? 7.676 -9.309 14.541 1.00 11.83 ? 85 GLN A HG3 1 ATOM 1205 H HE21 . GLN A 1 85 ? 9.907 -9.857 16.856 1.00 11.85 ? 85 GLN A HE21 1 ATOM 1206 H HE22 . GLN A 1 85 ? 8.484 -10.213 16.603 1.00 11.85 ? 85 GLN A HE22 1 ATOM 1207 N N . CYS A 1 86 ? 4.865 -10.666 14.844 1.00 9.21 ? 86 CYS A N 1 ATOM 1208 C CA . CYS A 1 86 ? 4.359 -9.721 15.822 1.00 9.49 ? 86 CYS A CA 1 ATOM 1209 C C . CYS A 1 86 ? 5.511 -9.212 16.657 1.00 8.95 ? 86 CYS A C 1 ATOM 1210 O O . CYS A 1 86 ? 6.474 -9.921 16.857 1.00 9.31 ? 86 CYS A O 1 ATOM 1211 C CB . CYS A 1 86 ? 3.276 -10.317 16.732 1.00 11.11 ? 86 CYS A CB 1 ATOM 1212 S SG . CYS A 1 86 ? 1.700 -10.552 15.934 1.00 14.62 ? 86 CYS A SG 1 ATOM 1213 H H . CYS A 1 86 ? 4.729 -11.637 15.086 1.00 10.97 ? 86 CYS A H 1 ATOM 1214 H HA . CYS A 1 86 ? 3.951 -8.971 15.346 1.00 10.60 ? 86 CYS A HA 1 ATOM 1215 H HB2 . CYS A 1 86 ? 3.577 -11.181 17.055 1.00 10.97 ? 86 CYS A HB2 1 ATOM 1216 H HB3 . CYS A 1 86 ? 3.135 -9.719 17.483 1.00 10.97 ? 86 CYS A HB3 1 ATOM 1217 N N . PRO A 1 87 ? 5.377 -8.021 17.213 1.00 9.54 ? 87 PRO A N 1 ATOM 1218 C CA . PRO A 1 87 ? 6.426 -7.518 18.067 1.00 9.60 ? 87 PRO A CA 1 ATOM 1219 C C . PRO A 1 87 ? 6.656 -8.383 19.299 1.00 9.42 ? 87 PRO A C 1 ATOM 1220 O O . PRO A 1 87 ? 5.722 -9.042 19.768 1.00 10.18 ? 87 PRO A O 1 ATOM 1221 C CB . PRO A 1 87 ? 5.911 -6.123 18.479 1.00 10.10 ? 87 PRO A CB 1 ATOM 1222 C CG . PRO A 1 87 ? 4.994 -5.737 17.360 1.00 11.47 ? 87 PRO A CG 1 ATOM 1223 C CD . PRO A 1 87 ? 4.357 -7.011 16.947 1.00 10.60 ? 87 PRO A CD 1 ATOM 1224 H HA . PRO A 1 87 ? 7.260 -7.424 17.562 1.00 11.83 ? 87 PRO A HA 1 ATOM 1225 H HB2 . PRO A 1 87 ? 5.423 -6.184 19.315 1.00 10.70 ? 87 PRO A HB2 1 ATOM 1226 H HB3 . PRO A 1 87 ? 6.654 -5.503 18.552 1.00 10.70 ? 87 PRO A HB3 1 ATOM 1227 H HG2 . PRO A 1 87 ? 4.330 -5.107 17.682 1.00 11.23 ? 87 PRO A HG2 1 ATOM 1228 H HG3 . PRO A 1 87 ? 5.507 -5.355 16.631 1.00 11.23 ? 87 PRO A HG3 1 ATOM 1229 H HD2 . PRO A 1 87 ? 3.565 -7.181 17.480 1.00 10.60 ? 87 PRO A HD2 1 ATOM 1230 H HD3 . PRO A 1 87 ? 4.146 -6.970 16.002 1.00 10.60 ? 87 PRO A HD3 1 ATOM 1231 N N . ILE A 1 88 ? 7.868 -8.306 19.794 1.00 9.08 ? 88 ILE A N 1 ATOM 1232 C CA . ILE A 1 88 ? 8.251 -8.847 21.063 1.00 9.29 ? 88 ILE A CA 1 ATOM 1233 C C . ILE A 1 88 ? 7.729 -7.913 22.141 1.00 9.49 ? 88 ILE A C 1 ATOM 1234 O O . ILE A 1 88 ? 7.946 -6.704 22.070 1.00 9.65 ? 88 ILE A O 1 ATOM 1235 C CB . ILE A 1 88 ? 9.775 -8.908 21.191 1.00 9.71 ? 88 ILE A CB 1 ATOM 1236 C CG1 . ILE A 1 88 ? 10.436 -9.603 20.002 1.00 10.52 ? 88 ILE A CG1 1 ATOM 1237 C CG2 . ILE A 1 88 ? 10.173 -9.550 22.501 1.00 10.40 ? 88 ILE A CG2 1 ATOM 1238 C CD1 . ILE A 1 88 ? 11.908 -9.322 19.896 1.00 11.96 ? 88 ILE A CD1 1 ATOM 1239 H H . ILE A 1 88 ? 8.616 -7.819 19.323 1.00 11.83 ? 88 ILE A H 1 ATOM 1240 H HA . ILE A 1 88 ? 7.873 -9.743 21.183 1.00 11.81 ? 88 ILE A HA 1 ATOM 1241 H HB . ILE A 1 88 ? 10.104 -7.996 21.206 1.00 11.80 ? 88 ILE A HB 1 ATOM 1242 H HG12 . ILE A 1 88 ? 10.328 -10.562 20.106 1.00 11.83 ? 88 ILE A HG12 1 ATOM 1243 H HG13 . ILE A 1 88 ? 10.027 -9.318 19.173 1.00 11.83 ? 88 ILE A HG13 1 ATOM 1244 H HG21 . ILE A 1 88 ? 10.254 -8.865 23.169 1.00 11.81 ? 88 ILE A HG21 1 ATOM 1245 H HG22 . ILE A 1 88 ? 11.013 -10.002 22.401 1.00 11.81 ? 88 ILE A HG22 1 ATOM 1246 H HG23 . ILE A 1 88 ? 9.499 -10.181 22.764 1.00 11.81 ? 88 ILE A HG23 1 ATOM 1247 H HD11 . ILE A 1 88 ? 12.055 -8.378 19.992 1.00 11.80 ? 88 ILE A HD11 1 ATOM 1248 H HD12 . ILE A 1 88 ? 12.217 -9.613 19.035 1.00 11.80 ? 88 ILE A HD12 1 ATOM 1249 H HD13 . ILE A 1 88 ? 12.373 -9.798 20.587 1.00 11.80 ? 88 ILE A HD13 1 ATOM 1250 N N . ILE A 1 89 ? 7.047 -8.458 23.146 1.00 9.97 ? 89 ILE A N 1 ATOM 1251 C CA . ILE A 1 89 ? 6.508 -7.612 24.196 1.00 10.77 ? 89 ILE A CA 1 ATOM 1252 C C . ILE A 1 89 ? 7.533 -7.481 25.300 1.00 10.55 ? 89 ILE A C 1 ATOM 1253 O O . ILE A 1 89 ? 8.473 -8.261 25.459 1.00 10.80 ? 89 ILE A O 1 ATOM 1254 C CB . ILE A 1 89 ? 5.167 -8.142 24.734 1.00 12.27 ? 89 ILE A CB 1 ATOM 1255 C CG1 . ILE A 1 89 ? 5.324 -9.451 25.467 1.00 13.50 ? 89 ILE A CG1 1 ATOM 1256 C CG2 . ILE A 1 89 ? 4.176 -8.153 23.595 1.00 13.73 ? 89 ILE A CG2 1 ATOM 1257 C CD1 . ILE A 1 89 ? 4.022 -9.975 26.039 1.00 17.85 ? 89 ILE A CD1 1 ATOM 1258 H H . ILE A 1 89 ? 6.868 -9.445 23.246 1.00 11.81 ? 89 ILE A H 1 ATOM 1259 H HA . ILE A 1 89 ? 6.340 -6.712 23.845 1.00 14.65 ? 89 ILE A HA 1 ATOM 1260 H HB . ILE A 1 89 ? 4.845 -7.495 25.381 1.00 12.18 ? 89 ILE A HB 1 ATOM 1261 H HG12 . ILE A 1 89 ? 5.664 -10.124 24.859 1.00 11.81 ? 89 ILE A HG12 1 ATOM 1262 H HG13 . ILE A 1 89 ? 5.937 -9.337 26.210 1.00 11.81 ? 89 ILE A HG13 1 ATOM 1263 H HG21 . ILE A 1 89 ? 4.273 -7.350 23.078 1.00 14.65 ? 89 ILE A HG21 1 ATOM 1264 H HG22 . ILE A 1 89 ? 3.287 -8.201 23.954 1.00 14.65 ? 89 ILE A HG22 1 ATOM 1265 H HG23 . ILE A 1 89 ? 4.347 -8.920 23.042 1.00 14.65 ? 89 ILE A HG23 1 ATOM 1266 H HD11 . ILE A 1 89 ? 3.533 -9.244 26.424 1.00 15.40 ? 89 ILE A HD11 1 ATOM 1267 H HD12 . ILE A 1 89 ? 4.218 -10.629 26.714 1.00 15.40 ? 89 ILE A HD12 1 ATOM 1268 H HD13 . ILE A 1 89 ? 3.510 -10.377 25.333 1.00 15.40 ? 89 ILE A HD13 1 ATOM 1269 N N . THR A 1 90 ? 7.342 -6.458 26.123 1.00 10.53 ? 90 THR A N 1 ATOM 1270 C CA . THR A 1 90 ? 8.291 -6.200 27.148 1.00 11.01 ? 90 THR A CA 1 ATOM 1271 C C . THR A 1 90 ? 8.325 -7.313 28.168 1.00 10.60 ? 90 THR A C 1 ATOM 1272 O O . THR A 1 90 ? 7.328 -7.981 28.444 1.00 11.97 ? 90 THR A O 1 ATOM 1273 C CB . THR A 1 90 ? 8.066 -4.874 27.841 1.00 11.71 ? 90 THR A CB 1 ATOM 1274 O OG1 . THR A 1 90 ? 9.170 -4.637 28.704 1.00 12.80 ? 90 THR A OG1 1 ATOM 1275 C CG2 . THR A 1 90 ? 6.787 -4.822 28.614 1.00 13.33 ? 90 THR A CG2 1 ATOM 1276 H H . THR A 1 90 ? 6.562 -5.819 26.075 1.00 13.43 ? 90 THR A H 1 ATOM 1277 H HA . THR A 1 90 ? 9.178 -6.151 26.736 1.00 11.10 ? 90 THR A HA 1 ATOM 1278 H HB . THR A 1 90 ? 8.036 -4.172 27.173 1.00 11.91 ? 90 THR A HB 1 ATOM 1279 H HG21 . THR A 1 90 ? 6.119 -5.375 28.205 1.00 13.43 ? 90 THR A HG21 1 ATOM 1280 H HG22 . THR A 1 90 ? 6.463 -3.919 28.645 1.00 13.43 ? 90 THR A HG22 1 ATOM 1281 H HG23 . THR A 1 90 ? 6.933 -5.128 29.512 1.00 13.43 ? 90 THR A HG23 1 ATOM 1282 N N . GLY A 1 91 ? 9.528 -7.575 28.662 1.00 11.08 ? 91 GLY A N 1 ATOM 1283 C CA . GLY A 1 91 ? 9.800 -8.623 29.600 1.00 13.20 ? 91 GLY A CA 1 ATOM 1284 C C . GLY A 1 91 ? 10.023 -9.965 28.923 1.00 12.82 ? 91 GLY A C 1 ATOM 1285 O O . GLY A 1 91 ? 10.235 -10.950 29.631 1.00 16.32 ? 91 GLY A O 1 ATOM 1286 H H . GLY A 1 91 ? 10.357 -7.053 28.417 1.00 11.10 ? 91 GLY A H 1 ATOM 1287 H HA2 . GLY A 1 91 ? 10.598 -8.402 30.104 1.00 12.85 ? 91 GLY A HA2 1 ATOM 1288 H HA3 . GLY A 1 91 ? 9.061 -8.710 30.223 1.00 12.85 ? 91 GLY A HA3 1 ATOM 1289 N N . GLN A 1 92 ? 9.991 -10.014 27.598 1.00 11.98 ? 92 GLN A N 1 ATOM 1290 C CA . GLN A 1 92 ? 10.178 -11.221 26.857 1.00 11.87 ? 92 GLN A CA 1 ATOM 1291 C C . GLN A 1 92 ? 11.400 -11.069 25.979 1.00 11.21 ? 92 GLN A C 1 ATOM 1292 O O . GLN A 1 92 ? 11.914 -9.968 25.767 1.00 11.70 ? 92 GLN A O 1 ATOM 1293 C CB . GLN A 1 92 ? 8.951 -11.596 26.056 1.00 13.10 ? 92 GLN A CB 1 ATOM 1294 C CG . GLN A 1 92 ? 7.754 -11.826 26.984 1.00 17.25 ? 92 GLN A CG 1 ATOM 1295 C CD A GLN A 1 92 ? 6.646 -12.704 26.429 0.50 15.06 ? 92 GLN A CD 1 ATOM 1296 C CD B GLN A 1 92 ? 7.937 -12.909 27.992 0.50 19.40 ? 92 GLN A CD 1 ATOM 1297 O OE1 A GLN A 1 92 ? 6.502 -12.939 25.234 0.50 15.84 ? 92 GLN A OE1 1 ATOM 1298 O OE1 B GLN A 1 92 ? 8.505 -13.970 27.724 0.50 25.93 ? 92 GLN A OE1 1 ATOM 1299 N NE2 A GLN A 1 92 ? 5.825 -13.197 27.343 0.50 18.29 ? 92 GLN A NE2 1 ATOM 1300 N NE2 B GLN A 1 92 ? 7.496 -12.627 29.178 0.50 27.79 ? 92 GLN A NE2 1 ATOM 1301 H H . GLN A 1 92 ? 9.844 -9.218 26.997 1.00 12.12 ? 92 GLN A H 1 ATOM 1302 H HA . GLN A 1 92 ? 10.375 -11.959 27.471 1.00 17.21 ? 92 GLN A HA 1 ATOM 1303 H HB2 . GLN A 1 92 ? 8.731 -10.879 25.442 1.00 13.38 ? 92 GLN A HB2 1 ATOM 1304 H HB3 . GLN A 1 92 ? 9.124 -12.417 25.570 1.00 13.38 ? 92 GLN A HB3 1 ATOM 1305 N N . SER A 1 93 ? 11.878 -12.181 25.482 1.00 13.01 ? 93 SER A N 1 ATOM 1306 C CA . SER A 1 93 ? 12.965 -12.236 24.564 1.00 11.78 ? 93 SER A CA 1 ATOM 1307 C C . SER A 1 93 ? 12.639 -13.071 23.371 1.00 11.71 ? 93 SER A C 1 ATOM 1308 O O . SER A 1 93 ? 11.682 -13.846 23.379 1.00 13.24 ? 93 SER A O 1 ATOM 1309 C CB . SER A 1 93 ? 14.228 -12.752 25.259 1.00 13.71 ? 93 SER A CB 1 ATOM 1310 O OG . SER A 1 93 ? 14.038 -14.104 25.664 1.00 16.87 ? 93 SER A OG 1 ATOM 1311 H H . SER A 1 93 ? 11.512 -13.094 25.715 1.00 17.21 ? 93 SER A H 1 ATOM 1312 H HA . SER A 1 93 ? 13.151 -11.334 24.239 1.00 13.06 ? 93 SER A HA 1 ATOM 1313 H HB2 . SER A 1 93 ? 14.975 -12.706 24.643 1.00 13.29 ? 93 SER A HB2 1 ATOM 1314 H HB3 . SER A 1 93 ? 14.404 -12.207 26.041 1.00 13.29 ? 93 SER A HB3 1 ATOM 1315 N N . PHE A 1 94 ? 13.445 -12.922 22.332 1.00 11.57 ? 94 PHE A N 1 ATOM 1316 C CA . PHE A 1 94 ? 13.214 -13.653 21.090 1.00 11.18 ? 94 PHE A CA 1 ATOM 1317 C C . PHE A 1 94 ? 14.553 -13.860 20.440 1.00 10.34 ? 94 PHE A C 1 ATOM 1318 O O . PHE A 1 94 ? 15.308 -12.938 20.274 1.00 10.76 ? 94 PHE A O 1 ATOM 1319 C CB . PHE A 1 94 ? 12.242 -12.917 20.191 1.00 11.62 ? 94 PHE A CB 1 ATOM 1320 C CG . PHE A 1 94 ? 11.935 -13.658 18.945 1.00 11.14 ? 94 PHE A CG 1 ATOM 1321 C CD1 . PHE A 1 94 ? 11.235 -14.844 19.014 1.00 11.83 ? 94 PHE A CD1 1 ATOM 1322 C CD2 . PHE A 1 94 ? 12.329 -13.198 17.718 1.00 13.01 ? 94 PHE A CD2 1 ATOM 1323 C CE1 . PHE A 1 94 ? 10.926 -15.550 17.879 1.00 12.16 ? 94 PHE A CE1 1 ATOM 1324 C CE2 . PHE A 1 94 ? 12.018 -13.889 16.577 1.00 13.77 ? 94 PHE A CE2 1 ATOM 1325 C CZ . PHE A 1 94 ? 11.341 -15.071 16.648 1.00 13.11 ? 94 PHE A CZ 1 ATOM 1326 H H . PHE A 1 94 ? 14.249 -12.311 22.318 1.00 13.08 ? 94 PHE A H 1 ATOM 1327 H HA . PHE A 1 94 ? 12.834 -14.532 21.295 1.00 11.46 ? 94 PHE A HA 1 ATOM 1328 H HB2 . PHE A 1 94 ? 11.410 -12.781 20.671 1.00 11.80 ? 94 PHE A HB2 1 ATOM 1329 H HB3 . PHE A 1 94 ? 12.628 -12.062 19.949 1.00 11.80 ? 94 PHE A HB3 1 ATOM 1330 H HD1 . PHE A 1 94 ? 10.964 -15.168 19.843 1.00 11.80 ? 94 PHE A HD1 1 ATOM 1331 H HD2 . PHE A 1 94 ? 12.795 -12.397 17.656 1.00 11.80 ? 94 PHE A HD2 1 ATOM 1332 H HE1 . PHE A 1 94 ? 10.460 -16.351 17.937 1.00 11.80 ? 94 PHE A HE1 1 ATOM 1333 H HE2 . PHE A 1 94 ? 12.298 -13.566 15.751 1.00 11.80 ? 94 PHE A HE2 1 ATOM 1334 H HZ . PHE A 1 94 ? 11.134 -15.538 15.871 1.00 11.80 ? 94 PHE A HZ 1 ATOM 1335 N N . ASP A 1 95 ? 14.814 -15.095 20.023 1.00 11.38 ? 95 ASP A N 1 ATOM 1336 C CA . ASP A 1 95 ? 16.056 -15.454 19.352 1.00 11.33 ? 95 ASP A CA 1 ATOM 1337 C C . ASP A 1 95 ? 15.919 -15.401 17.856 1.00 10.76 ? 95 ASP A C 1 ATOM 1338 O O . ASP A 1 95 ? 15.262 -16.199 17.239 1.00 13.51 ? 95 ASP A O 1 ATOM 1339 C CB . ASP A 1 95 ? 16.452 -16.878 19.790 1.00 13.66 ? 95 ASP A CB 1 ATOM 1340 C CG A ASP A 1 95 ? 17.897 -17.265 19.448 0.70 15.66 ? 95 ASP A CG 1 ATOM 1341 C CG B ASP A 1 95 ? 16.962 -16.920 21.197 0.30 15.85 ? 95 ASP A CG 1 ATOM 1342 O OD1 A ASP A 1 95 ? 18.572 -16.582 18.662 0.70 15.30 ? 95 ASP A OD1 1 ATOM 1343 O OD1 B ASP A 1 95 ? 16.358 -16.304 22.081 0.30 23.15 ? 95 ASP A OD1 1 ATOM 1344 O OD2 A ASP A 1 95 ? 18.329 -18.324 19.979 0.70 17.30 ? 95 ASP A OD2 1 ATOM 1345 O OD2 B ASP A 1 95 ? 17.972 -17.597 21.420 0.30 25.04 ? 95 ASP A OD2 1 ATOM 1346 H H . ASP A 1 95 ? 14.173 -15.869 20.131 1.00 11.46 ? 95 ASP A H 1 ATOM 1347 H HA . ASP A 1 95 ? 16.774 -14.849 19.627 1.00 25.79 ? 95 ASP A HA 1 ATOM 1348 N N . TYR A 1 96 ? 16.559 -14.389 17.293 1.00 9.54 ? 96 TYR A N 1 ATOM 1349 C CA . TYR A 1 96 ? 16.679 -14.272 15.856 1.00 9.59 ? 96 TYR A CA 1 ATOM 1350 C C . TYR A 1 96 ? 17.863 -15.149 15.441 1.00 9.46 ? 96 TYR A C 1 ATOM 1351 O O . TYR A 1 96 ? 19.021 -14.785 15.632 1.00 10.59 ? 96 TYR A O 1 ATOM 1352 C CB . TYR A 1 96 ? 16.926 -12.820 15.476 1.00 9.66 ? 96 TYR A CB 1 ATOM 1353 C CG . TYR A 1 96 ? 15.750 -11.938 15.684 1.00 8.51 ? 96 TYR A CG 1 ATOM 1354 C CD1 . TYR A 1 96 ? 14.839 -11.755 14.682 1.00 8.08 ? 96 TYR A CD1 1 ATOM 1355 C CD2 . TYR A 1 96 ? 15.577 -11.232 16.875 1.00 8.54 ? 96 TYR A CD2 1 ATOM 1356 C CE1 . TYR A 1 96 ? 13.792 -10.880 14.810 1.00 8.09 ? 96 TYR A CE1 1 ATOM 1357 C CE2 . TYR A 1 96 ? 14.536 -10.355 17.025 1.00 8.38 ? 96 TYR A CE2 1 ATOM 1358 C CZ . TYR A 1 96 ? 13.629 -10.166 16.000 1.00 7.97 ? 96 TYR A CZ 1 ATOM 1359 O OH . TYR A 1 96 ? 12.616 -9.264 16.147 1.00 8.47 ? 96 TYR A OH 1 ATOM 1360 H H . TYR A 1 96 ? 17.000 -13.639 17.807 1.00 23.12 ? 96 TYR A H 1 ATOM 1361 H HA . TYR A 1 96 ? 15.863 -14.579 15.410 1.00 11.80 ? 96 TYR A HA 1 ATOM 1362 H HB2 . TYR A 1 96 ? 17.659 -12.472 16.007 1.00 20.72 ? 96 TYR A HB2 1 ATOM 1363 H HB3 . TYR A 1 96 ? 17.161 -12.783 14.536 1.00 20.67 ? 96 TYR A HB3 1 ATOM 1364 H HD1 . TYR A 1 96 ? 14.959 -12.204 13.879 1.00 18.32 ? 96 TYR A HD1 1 ATOM 1365 H HD2 . TYR A 1 96 ? 16.198 -11.328 17.559 1.00 10.24 ? 96 TYR A HD2 1 ATOM 1366 H HE1 . TYR A 1 96 ? 13.195 -10.761 14.107 1.00 18.32 ? 96 TYR A HE1 1 ATOM 1367 H HE2 . TYR A 1 96 ? 14.443 -9.879 17.819 1.00 10.24 ? 96 TYR A HE2 1 ATOM 1368 N N . ASN A 1 97 ? 17.538 -16.297 14.873 1.00 10.17 ? 97 ASN A N 1 ATOM 1369 C CA . ASN A 1 97 ? 18.496 -17.328 14.548 1.00 10.34 ? 97 ASN A CA 1 ATOM 1370 C C . ASN A 1 97 ? 18.511 -17.530 13.067 1.00 9.94 ? 97 ASN A C 1 ATOM 1371 O O . ASN A 1 97 ? 17.546 -18.036 12.519 1.00 11.64 ? 97 ASN A O 1 ATOM 1372 C CB . ASN A 1 97 ? 18.128 -18.595 15.334 1.00 12.14 ? 97 ASN A CB 1 ATOM 1373 C CG . ASN A 1 97 ? 19.124 -19.700 15.177 1.00 13.96 ? 97 ASN A CG 1 ATOM 1374 O OD1 . ASN A 1 97 ? 19.804 -19.789 14.188 1.00 15.17 ? 97 ASN A OD1 1 ATOM 1375 N ND2 . ASN A 1 97 ? 19.147 -20.602 16.135 1.00 17.42 ? 97 ASN A ND2 1 ATOM 1376 H H . ASN A 1 97 ? 16.596 -16.542 14.614 1.00 11.80 ? 97 ASN A H 1 ATOM 1377 H HA . ASN A 1 97 ? 19.388 -17.057 14.838 1.00 10.13 ? 97 ASN A HA 1 ATOM 1378 H HB2 . ASN A 1 97 ? 18.075 -18.371 16.276 1.00 15.84 ? 97 ASN A HB2 1 ATOM 1379 H HB3 . ASN A 1 97 ? 17.269 -18.921 15.024 1.00 15.84 ? 97 ASN A HB3 1 ATOM 1380 H HD21 . ASN A 1 97 ? 19.877 -21.255 16.172 1.00 15.86 ? 97 ASN A HD21 1 ATOM 1381 H HD22 . ASN A 1 97 ? 18.438 -20.625 16.811 1.00 15.86 ? 97 ASN A HD22 1 ATOM 1382 N N . PHE A 1 98 ? 19.572 -17.085 12.414 1.00 9.66 ? 98 PHE A N 1 ATOM 1383 C CA . PHE A 1 98 ? 19.598 -17.082 10.985 1.00 9.18 ? 98 PHE A CA 1 ATOM 1384 C C . PHE A 1 98 ? 21.008 -17.260 10.516 1.00 9.20 ? 98 PHE A C 1 ATOM 1385 O O . PHE A 1 98 ? 21.941 -17.192 11.295 1.00 10.92 ? 98 PHE A O 1 ATOM 1386 C CB . PHE A 1 98 ? 18.932 -15.818 10.432 1.00 9.43 ? 98 PHE A CB 1 ATOM 1387 C CG . PHE A 1 98 ? 19.570 -14.542 10.855 1.00 8.91 ? 98 PHE A CG 1 ATOM 1388 C CD1 . PHE A 1 98 ? 20.606 -14.003 10.152 1.00 9.98 ? 98 PHE A CD1 1 ATOM 1389 C CD2 . PHE A 1 98 ? 19.087 -13.827 11.939 1.00 8.91 ? 98 PHE A CD2 1 ATOM 1390 C CE1 . PHE A 1 98 ? 21.205 -12.826 10.553 1.00 10.03 ? 98 PHE A CE1 1 ATOM 1391 C CE2 . PHE A 1 98 ? 19.644 -12.636 12.327 1.00 9.69 ? 98 PHE A CE2 1 ATOM 1392 C CZ . PHE A 1 98 ? 20.690 -12.124 11.622 1.00 9.90 ? 98 PHE A CZ 1 ATOM 1393 H H . PHE A 1 98 ? 20.408 -16.724 12.851 1.00 10.13 ? 98 PHE A H 1 ATOM 1394 H HA . PHE A 1 98 ? 19.092 -17.850 10.648 1.00 9.68 ? 98 PHE A HA 1 ATOM 1395 H HB2 . PHE A 1 98 ? 18.959 -15.853 9.463 1.00 10.03 ? 98 PHE A HB2 1 ATOM 1396 H HB3 . PHE A 1 98 ? 18.008 -15.800 10.730 1.00 10.03 ? 98 PHE A HB3 1 ATOM 1397 H HD1 . PHE A 1 98 ? 20.955 -14.468 9.427 1.00 10.09 ? 98 PHE A HD1 1 ATOM 1398 H HD2 . PHE A 1 98 ? 18.363 -14.163 12.416 1.00 10.04 ? 98 PHE A HD2 1 ATOM 1399 H HE1 . PHE A 1 98 ? 21.914 -12.479 10.065 1.00 10.09 ? 98 PHE A HE1 1 ATOM 1400 H HE2 . PHE A 1 98 ? 19.307 -12.179 13.063 1.00 10.06 ? 98 PHE A HE2 1 ATOM 1401 H HZ . PHE A 1 98 ? 21.086 -11.327 11.890 1.00 10.07 ? 98 PHE A HZ 1 ATOM 1402 N N . ASN A 1 99 ? 21.145 -17.472 9.220 1.00 9.29 ? 99 ASN A N 1 ATOM 1403 C CA . ASN A 1 99 ? 22.442 -17.624 8.636 1.00 10.02 ? 99 ASN A CA 1 ATOM 1404 C C . ASN A 1 99 ? 22.644 -16.591 7.582 1.00 9.46 ? 99 ASN A C 1 ATOM 1405 O O . ASN A 1 99 ? 21.675 -16.043 7.074 1.00 9.88 ? 99 ASN A O 1 ATOM 1406 C CB . ASN A 1 99 ? 22.588 -19.015 8.031 1.00 11.75 ? 99 ASN A CB 1 ATOM 1407 C CG . ASN A 1 99 ? 22.474 -20.086 9.102 1.00 14.92 ? 99 ASN A CG 1 ATOM 1408 O OD1 . ASN A 1 99 ? 23.290 -20.221 9.942 1.00 16.94 ? 99 ASN A OD1 1 ATOM 1409 N ND2 . ASN A 1 99 ? 21.376 -20.805 9.091 1.00 21.73 ? 99 ASN A ND2 1 ATOM 1410 H H . ASN A 1 99 ? 20.381 -17.542 8.563 1.00 10.03 ? 99 ASN A H 1 ATOM 1411 H HA . ASN A 1 99 ? 23.140 -17.511 9.311 1.00 11.97 ? 99 ASN A HA 1 ATOM 1412 H HB2 . ASN A 1 99 ? 21.891 -19.153 7.371 1.00 14.50 ? 99 ASN A HB2 1 ATOM 1413 H HB3 . ASN A 1 99 ? 23.462 -19.093 7.617 1.00 14.50 ? 99 ASN A HB3 1 ATOM 1414 H HD21 . ASN A 1 99 ? 21.367 -21.688 9.517 1.00 14.50 ? 99 ASN A HD21 1 ATOM 1415 H HD22 . ASN A 1 99 ? 20.564 -20.463 8.662 1.00 14.50 ? 99 ASN A HD22 1 ATOM 1416 N N . VAL A 1 100 ? 23.888 -16.324 7.235 1.00 10.34 ? 100 VAL A N 1 ATOM 1417 C CA . VAL A 1 100 ? 24.235 -15.325 6.230 1.00 10.14 ? 100 VAL A CA 1 ATOM 1418 C C . VAL A 1 100 ? 25.039 -15.941 5.109 1.00 11.17 ? 100 VAL A C 1 ATOM 1419 O O . VAL A 1 100 ? 26.134 -15.468 4.780 1.00 13.13 ? 100 VAL A O 1 ATOM 1420 C CB . VAL A 1 100 ? 24.874 -14.059 6.831 1.00 10.24 ? 100 VAL A CB 1 ATOM 1421 C CG1 . VAL A 1 100 ? 23.856 -13.389 7.743 1.00 11.53 ? 100 VAL A CG1 1 ATOM 1422 C CG2 . VAL A 1 100 ? 26.139 -14.335 7.558 1.00 12.68 ? 100 VAL A CG2 1 ATOM 1423 H H . VAL A 1 100 ? 24.691 -16.791 7.632 1.00 11.97 ? 100 VAL A H 1 ATOM 1424 H HA . VAL A 1 100 ? 23.405 -15.016 5.814 1.00 10.13 ? 100 VAL A HA 1 ATOM 1425 H HB . VAL A 1 100 ? 25.077 -13.432 6.105 1.00 10.53 ? 100 VAL A HB 1 ATOM 1426 H HG11 . VAL A 1 100 ? 23.061 -13.194 7.240 1.00 10.12 ? 100 VAL A HG11 1 ATOM 1427 H HG12 . VAL A 1 100 ? 24.235 -12.575 8.081 1.00 10.12 ? 100 VAL A HG12 1 ATOM 1428 H HG13 . VAL A 1 100 ? 23.648 -13.978 8.471 1.00 10.12 ? 100 VAL A HG13 1 ATOM 1429 H HG21 . VAL A 1 100 ? 25.952 -14.905 8.307 1.00 11.97 ? 100 VAL A HG21 1 ATOM 1430 H HG22 . VAL A 1 100 ? 26.501 -13.501 7.865 1.00 11.97 ? 100 VAL A HG22 1 ATOM 1431 H HG23 . VAL A 1 100 ? 26.769 -14.758 6.977 1.00 11.97 ? 100 VAL A HG23 1 ATOM 1432 N N . PRO A 1 101 ? 24.532 -16.959 4.444 1.00 10.15 ? 101 PRO A N 1 ATOM 1433 C CA . PRO A 1 101 ? 25.230 -17.517 3.297 1.00 9.93 ? 101 PRO A CA 1 ATOM 1434 C C . PRO A 1 101 ? 25.366 -16.490 2.212 1.00 10.42 ? 101 PRO A C 1 ATOM 1435 O O . PRO A 1 101 ? 24.434 -15.749 1.940 1.00 10.77 ? 101 PRO A O 1 ATOM 1436 C CB . PRO A 1 101 ? 24.316 -18.670 2.819 1.00 10.73 ? 101 PRO A CB 1 ATOM 1437 C CG . PRO A 1 101 ? 22.962 -18.206 3.255 1.00 11.03 ? 101 PRO A CG 1 ATOM 1438 C CD . PRO A 1 101 ? 23.211 -17.574 4.607 1.00 10.36 ? 101 PRO A CD 1 ATOM 1439 H HA . PRO A 1 101 ? 26.107 -17.868 3.556 1.00 25.09 ? 101 PRO A HA 1 ATOM 1440 H HB2 . PRO A 1 101 ? 24.357 -18.758 1.855 1.00 10.70 ? 101 PRO A HB2 1 ATOM 1441 H HB3 . PRO A 1 101 ? 24.562 -19.498 3.260 1.00 10.70 ? 101 PRO A HB3 1 ATOM 1442 H HG2 . PRO A 1 101 ? 22.614 -17.556 2.625 1.00 11.22 ? 101 PRO A HG2 1 ATOM 1443 H HG3 . PRO A 1 101 ? 22.363 -18.966 3.334 1.00 11.22 ? 101 PRO A HG3 1 ATOM 1444 H HD2 . PRO A 1 101 ? 22.533 -16.905 4.779 1.00 10.14 ? 101 PRO A HD2 1 ATOM 1445 H HD3 . PRO A 1 101 ? 23.233 -18.254 5.299 1.00 10.14 ? 101 PRO A HD3 1 ATOM 1446 N N . GLY A 1 102 ? 26.503 -16.492 1.552 1.00 9.96 ? 102 GLY A N 1 ATOM 1447 C CA . GLY A 1 102 ? 26.693 -15.732 0.348 1.00 10.23 ? 102 GLY A CA 1 ATOM 1448 C C . GLY A 1 102 ? 26.712 -14.236 0.509 1.00 9.37 ? 102 GLY A C 1 ATOM 1449 O O . GLY A 1 102 ? 26.685 -13.520 -0.479 1.00 13.09 ? 102 GLY A O 1 ATOM 1450 H H . GLY A 1 102 ? 27.321 -17.015 1.830 1.00 25.16 ? 102 GLY A H 1 ATOM 1451 H HA2 . GLY A 1 102 ? 27.532 -15.994 -0.059 1.00 10.14 ? 102 GLY A HA2 1 ATOM 1452 H HA3 . GLY A 1 102 ? 25.982 -15.952 -0.274 1.00 10.14 ? 102 GLY A HA3 1 ATOM 1453 N N . GLN A 1 103 ? 26.761 -13.759 1.731 1.00 8.18 ? 103 GLN A N 1 ATOM 1454 C CA . GLN A 1 103 ? 26.804 -12.319 1.970 1.00 8.40 ? 103 GLN A CA 1 ATOM 1455 C C . GLN A 1 103 ? 28.015 -11.994 2.817 1.00 8.19 ? 103 GLN A C 1 ATOM 1456 O O . GLN A 1 103 ? 28.357 -12.704 3.743 1.00 8.83 ? 103 GLN A O 1 ATOM 1457 C CB . GLN A 1 103 ? 25.537 -11.842 2.662 1.00 8.03 ? 103 GLN A CB 1 ATOM 1458 C CG . GLN A 1 103 ? 24.303 -12.060 1.836 1.00 8.07 ? 103 GLN A CG 1 ATOM 1459 C CD . GLN A 1 103 ? 23.136 -11.353 2.441 1.00 7.78 ? 103 GLN A CD 1 ATOM 1460 O OE1 . GLN A 1 103 ? 22.389 -11.941 3.237 1.00 8.07 ? 103 GLN A OE1 1 ATOM 1461 N NE2 . GLN A 1 103 ? 22.983 -10.091 2.125 1.00 7.91 ? 103 GLN A NE2 1 ATOM 1462 H H . GLN A 1 103 ? 26.788 -14.306 2.578 1.00 8.66 ? 103 GLN A H 1 ATOM 1463 H HA . GLN A 1 103 ? 26.880 -11.840 1.121 1.00 8.30 ? 103 GLN A HA 1 ATOM 1464 H HB2 . GLN A 1 103 ? 25.430 -12.328 3.494 1.00 8.37 ? 103 GLN A HB2 1 ATOM 1465 H HB3 . GLN A 1 103 ? 25.617 -10.892 2.841 1.00 8.37 ? 103 GLN A HB3 1 ATOM 1466 H HG2 . GLN A 1 103 ? 24.446 -11.713 0.942 1.00 8.28 ? 103 GLN A HG2 1 ATOM 1467 H HG3 . GLN A 1 103 ? 24.102 -13.008 1.802 1.00 8.28 ? 103 GLN A HG3 1 ATOM 1468 H HE21 . GLN A 1 103 ? 22.233 -9.699 2.278 1.00 8.28 ? 103 GLN A HE21 1 ATOM 1469 H HE22 . GLN A 1 103 ? 23.630 -9.652 1.767 1.00 8.28 ? 103 GLN A HE22 1 ATOM 1470 N N . ALA A 1 104 ? 28.604 -10.866 2.510 1.00 7.76 ? 104 ALA A N 1 ATOM 1471 C CA . ALA A 1 104 ? 29.706 -10.326 3.295 1.00 8.12 ? 104 ALA A CA 1 ATOM 1472 C C . ALA A 1 104 ? 29.738 -8.846 2.969 1.00 7.31 ? 104 ALA A C 1 ATOM 1473 O O . ALA A 1 104 ? 29.749 -8.485 1.810 1.00 8.96 ? 104 ALA A O 1 ATOM 1474 C CB . ALA A 1 104 ? 31.026 -10.967 2.935 1.00 8.88 ? 104 ALA A CB 1 ATOM 1475 H H . ALA A 1 104 ? 28.349 -10.294 1.717 1.00 8.30 ? 104 ALA A H 1 ATOM 1476 H HA . ALA A 1 104 ? 29.537 -10.448 4.252 1.00 9.66 ? 104 ALA A HA 1 ATOM 1477 H HB1 . ALA A 1 104 ? 30.899 -11.913 2.838 1.00 11.18 ? 104 ALA A HB1 1 ATOM 1478 H HB2 . ALA A 1 104 ? 31.654 -10.792 3.639 1.00 11.18 ? 104 ALA A HB2 1 ATOM 1479 H HB3 . ALA A 1 104 ? 31.348 -10.596 2.109 1.00 11.18 ? 104 ALA A HB3 1 ATOM 1480 N N . GLY A 1 105 ? 29.758 -8.036 3.988 1.00 7.39 ? 105 GLY A N 1 ATOM 1481 C CA . GLY A 1 105 ? 29.718 -6.612 3.787 1.00 7.52 ? 105 GLY A CA 1 ATOM 1482 C C . GLY A 1 105 ? 29.218 -5.922 5.010 1.00 6.93 ? 105 GLY A C 1 ATOM 1483 O O . GLY A 1 105 ? 29.240 -6.443 6.106 1.00 7.40 ? 105 GLY A O 1 ATOM 1484 H H . GLY A 1 105 ? 29.807 -8.325 4.955 1.00 9.66 ? 105 GLY A H 1 ATOM 1485 H HA2 . GLY A 1 105 ? 30.606 -6.282 3.581 1.00 7.72 ? 105 GLY A HA2 1 ATOM 1486 H HA3 . GLY A 1 105 ? 29.126 -6.397 3.049 1.00 7.72 ? 105 GLY A HA3 1 ATOM 1487 N N . THR A 1 106 ? 28.781 -4.698 4.769 1.00 6.57 ? 106 THR A N 1 ATOM 1488 C CA . THR A 1 106 ? 28.407 -3.775 5.819 1.00 6.50 ? 106 THR A CA 1 ATOM 1489 C C . THR A 1 106 ? 26.896 -3.651 5.816 1.00 6.37 ? 106 THR A C 1 ATOM 1490 O O . THR A 1 106 ? 26.315 -3.273 4.791 1.00 6.67 ? 106 THR A O 1 ATOM 1491 C CB . THR A 1 106 ? 29.058 -2.418 5.574 1.00 7.09 ? 106 THR A CB 1 ATOM 1492 O OG1 . THR A 1 106 ? 30.453 -2.593 5.360 1.00 7.47 ? 106 THR A OG1 1 ATOM 1493 C CG2 . THR A 1 106 ? 28.867 -1.520 6.744 1.00 7.84 ? 106 THR A CG2 1 ATOM 1494 H H . THR A 1 106 ? 28.660 -4.313 3.845 1.00 7.72 ? 106 THR A H 1 ATOM 1495 H HA . THR A 1 106 ? 28.707 -4.105 6.691 1.00 7.82 ? 106 THR A HA 1 ATOM 1496 H HB . THR A 1 106 ? 28.661 -1.999 4.794 1.00 7.35 ? 106 THR A HB 1 ATOM 1497 H HG21 . THR A 1 106 ? 27.933 -1.391 6.922 1.00 7.91 ? 106 THR A HG21 1 ATOM 1498 H HG22 . THR A 1 106 ? 29.265 -0.665 6.565 1.00 7.91 ? 106 THR A HG22 1 ATOM 1499 H HG23 . THR A 1 106 ? 29.283 -1.901 7.520 1.00 7.91 ? 106 THR A HG23 1 ATOM 1500 N N . PHE A 1 107 ? 26.308 -3.946 6.951 1.00 6.62 ? 107 PHE A N 1 ATOM 1501 C CA . PHE A 1 107 ? 24.869 -3.945 7.144 1.00 6.82 ? 107 PHE A CA 1 ATOM 1502 C C . PHE A 1 107 ? 24.581 -3.173 8.408 1.00 6.33 ? 107 PHE A C 1 ATOM 1503 O O . PHE A 1 107 ? 25.442 -2.510 8.957 1.00 6.82 ? 107 PHE A O 1 ATOM 1504 C CB . PHE A 1 107 ? 24.359 -5.416 7.186 1.00 7.02 ? 107 PHE A CB 1 ATOM 1505 C CG . PHE A 1 107 ? 24.742 -6.189 5.973 1.00 6.50 ? 107 PHE A CG 1 ATOM 1506 C CD1 . PHE A 1 107 ? 23.971 -6.123 4.827 1.00 6.91 ? 107 PHE A CD1 1 ATOM 1507 C CD2 . PHE A 1 107 ? 25.872 -6.945 5.951 1.00 7.69 ? 107 PHE A CD2 1 ATOM 1508 C CE1 . PHE A 1 107 ? 24.336 -6.798 3.707 1.00 7.55 ? 107 PHE A CE1 1 ATOM 1509 C CE2 . PHE A 1 107 ? 26.240 -7.630 4.823 1.00 8.11 ? 107 PHE A CE2 1 ATOM 1510 C CZ . PHE A 1 107 ? 25.478 -7.563 3.698 1.00 7.79 ? 107 PHE A CZ 1 ATOM 1511 H H . PHE A 1 107 ? 26.812 -4.204 7.788 1.00 7.82 ? 107 PHE A H 1 ATOM 1512 H HA . PHE A 1 107 ? 24.424 -3.487 6.401 1.00 7.94 ? 107 PHE A HA 1 ATOM 1513 H HB2 . PHE A 1 107 ? 24.737 -5.862 7.959 1.00 7.12 ? 107 PHE A HB2 1 ATOM 1514 H HB3 . PHE A 1 107 ? 23.395 -5.420 7.248 1.00 7.12 ? 107 PHE A HB3 1 ATOM 1515 H HD1 . PHE A 1 107 ? 23.203 -5.601 4.818 1.00 7.12 ? 107 PHE A HD1 1 ATOM 1516 H HD2 . PHE A 1 107 ? 26.407 -6.993 6.710 1.00 7.12 ? 107 PHE A HD2 1 ATOM 1517 H HE1 . PHE A 1 107 ? 23.805 -6.751 2.945 1.00 7.12 ? 107 PHE A HE1 1 ATOM 1518 H HE2 . PHE A 1 107 ? 27.012 -8.148 4.828 1.00 7.12 ? 107 PHE A HE2 1 ATOM 1519 H HZ . PHE A 1 107 ? 25.721 -8.037 2.935 1.00 7.12 ? 107 PHE A HZ 1 ATOM 1520 N N . TRP A 1 108 ? 23.341 -3.219 8.860 1.00 6.14 ? 108 TRP A N 1 ATOM 1521 C CA . TRP A 1 108 ? 22.986 -2.583 10.125 1.00 6.45 ? 108 TRP A CA 1 ATOM 1522 C C . TRP A 1 108 ? 21.722 -3.235 10.623 1.00 6.29 ? 108 TRP A C 1 ATOM 1523 O O . TRP A 1 108 ? 21.119 -4.015 9.933 1.00 6.90 ? 108 TRP A O 1 ATOM 1524 C CB . TRP A 1 108 ? 22.893 -1.082 10.001 1.00 6.56 ? 108 TRP A CB 1 ATOM 1525 C CG . TRP A 1 108 ? 21.830 -0.527 9.131 1.00 6.33 ? 108 TRP A CG 1 ATOM 1526 C CD1 . TRP A 1 108 ? 21.702 -0.654 7.791 1.00 6.60 ? 108 TRP A CD1 1 ATOM 1527 C CD2 . TRP A 1 108 ? 20.804 0.385 9.534 1.00 6.34 ? 108 TRP A CD2 1 ATOM 1528 N NE1 . TRP A 1 108 ? 20.678 0.113 7.331 1.00 6.64 ? 108 TRP A NE1 1 ATOM 1529 C CE2 . TRP A 1 108 ? 20.137 0.788 8.370 1.00 6.47 ? 108 TRP A CE2 1 ATOM 1530 C CE3 . TRP A 1 108 ? 20.431 0.928 10.769 1.00 6.47 ? 108 TRP A CE3 1 ATOM 1531 C CZ2 . TRP A 1 108 ? 19.091 1.694 8.427 1.00 6.87 ? 108 TRP A CZ2 1 ATOM 1532 C CZ3 . TRP A 1 108 ? 19.416 1.837 10.789 1.00 7.02 ? 108 TRP A CZ3 1 ATOM 1533 C CH2 . TRP A 1 108 ? 18.755 2.230 9.635 1.00 7.12 ? 108 TRP A CH2 1 ATOM 1534 H H . TRP A 1 108 ? 22.568 -3.662 8.383 1.00 7.12 ? 108 TRP A H 1 ATOM 1535 H HA . TRP A 1 108 ? 23.683 -2.777 10.785 1.00 6.89 ? 108 TRP A HA 1 ATOM 1536 H HB2 . TRP A 1 108 ? 22.743 -0.717 10.884 1.00 7.92 ? 108 TRP A HB2 1 ATOM 1537 H HB3 . TRP A 1 108 ? 23.737 -0.747 9.664 1.00 7.92 ? 108 TRP A HB3 1 ATOM 1538 H HD1 . TRP A 1 108 ? 22.244 -1.189 7.258 1.00 8.05 ? 108 TRP A HD1 1 ATOM 1539 H HE1 . TRP A 1 108 ? 20.431 0.173 6.511 1.00 8.11 ? 108 TRP A HE1 1 ATOM 1540 H HE3 . TRP A 1 108 ? 20.919 0.741 11.538 1.00 8.23 ? 108 TRP A HE3 1 ATOM 1541 H HZ2 . TRP A 1 108 ? 18.606 1.911 7.666 1.00 8.14 ? 108 TRP A HZ2 1 ATOM 1542 H HZ3 . TRP A 1 108 ? 19.162 2.212 11.600 1.00 8.23 ? 108 TRP A HZ3 1 ATOM 1543 H HH2 . TRP A 1 108 ? 18.019 2.793 9.696 1.00 8.19 ? 108 TRP A HH2 1 ATOM 1544 N N . TYR A 1 109 ? 21.393 -2.937 11.849 1.00 6.33 ? 109 TYR A N 1 ATOM 1545 C CA . TYR A 1 109 ? 20.169 -3.457 12.462 1.00 6.61 ? 109 TYR A CA 1 ATOM 1546 C C . TYR A 1 109 ? 19.435 -2.304 13.065 1.00 5.91 ? 109 TYR A C 1 ATOM 1547 O O . TYR A 1 109 ? 20.006 -1.302 13.477 1.00 6.58 ? 109 TYR A O 1 ATOM 1548 C CB . TYR A 1 109 ? 20.456 -4.532 13.508 1.00 7.49 ? 109 TYR A CB 1 ATOM 1549 C CG . TYR A 1 109 ? 21.222 -4.081 14.702 1.00 7.19 ? 109 TYR A CG 1 ATOM 1550 C CD1 . TYR A 1 109 ? 20.596 -3.650 15.851 1.00 7.55 ? 109 TYR A CD1 1 ATOM 1551 C CD2 . TYR A 1 109 ? 22.597 -4.063 14.703 1.00 7.78 ? 109 TYR A CD2 1 ATOM 1552 C CE1 . TYR A 1 109 ? 21.305 -3.226 16.938 1.00 8.02 ? 109 TYR A CE1 1 ATOM 1553 C CE2 . TYR A 1 109 ? 23.329 -3.659 15.784 1.00 7.80 ? 109 TYR A CE2 1 ATOM 1554 C CZ . TYR A 1 109 ? 22.669 -3.244 16.918 1.00 7.88 ? 109 TYR A CZ 1 ATOM 1555 O OH . TYR A 1 109 ? 23.349 -2.817 18.028 1.00 8.72 ? 109 TYR A OH 1 ATOM 1556 H H . TYR A 1 109 ? 21.940 -2.344 12.457 1.00 7.94 ? 109 TYR A H 1 ATOM 1557 H HA . TYR A 1 109 ? 19.600 -3.850 11.772 1.00 6.70 ? 109 TYR A HA 1 ATOM 1558 H HB2 . TYR A 1 109 ? 19.610 -4.888 13.821 1.00 14.90 ? 109 TYR A HB2 1 ATOM 1559 H HB3 . TYR A 1 109 ? 20.968 -5.239 13.085 1.00 14.90 ? 109 TYR A HB3 1 ATOM 1560 H HD1 . TYR A 1 109 ? 19.667 -3.640 15.884 1.00 8.05 ? 109 TYR A HD1 1 ATOM 1561 H HD2 . TYR A 1 109 ? 23.048 -4.354 13.943 1.00 7.84 ? 109 TYR A HD2 1 ATOM 1562 H HE1 . TYR A 1 109 ? 20.857 -2.949 17.704 1.00 8.05 ? 109 TYR A HE1 1 ATOM 1563 H HE2 . TYR A 1 109 ? 24.256 -3.667 15.755 1.00 7.84 ? 109 TYR A HE2 1 ATOM 1564 N N . HIS A 1 110 ? 18.129 -2.454 13.131 1.00 6.26 ? 110 HIS A N 1 ATOM 1565 C CA . HIS A 1 110 ? 17.303 -1.377 13.633 1.00 6.31 ? 110 HIS A CA 1 ATOM 1566 C C . HIS A 1 110 ? 15.968 -1.904 14.022 1.00 6.11 ? 110 HIS A C 1 ATOM 1567 O O . HIS A 1 110 ? 15.456 -2.885 13.481 1.00 6.70 ? 110 HIS A O 1 ATOM 1568 C CB . HIS A 1 110 ? 17.183 -0.246 12.638 1.00 6.75 ? 110 HIS A CB 1 ATOM 1569 C CG . HIS A 1 110 ? 16.649 -0.601 11.292 1.00 6.71 ? 110 HIS A CG 1 ATOM 1570 N ND1 . HIS A 1 110 ? 15.320 -0.690 10.997 1.00 7.16 ? 110 HIS A ND1 1 ATOM 1571 C CD2 . HIS A 1 110 ? 17.299 -0.820 10.121 1.00 6.69 ? 110 HIS A CD2 1 ATOM 1572 C CE1 . HIS A 1 110 ? 15.187 -0.934 9.693 1.00 7.20 ? 110 HIS A CE1 1 ATOM 1573 N NE2 . HIS A 1 110 ? 16.372 -1.004 9.131 1.00 7.08 ? 110 HIS A NE2 1 ATOM 1574 H H . HIS A 1 110 ? 17.626 -3.285 12.851 1.00 6.70 ? 110 HIS A H 1 ATOM 1575 H HA . HIS A 1 110 ? 17.721 -1.020 14.442 1.00 8.23 ? 110 HIS A HA 1 ATOM 1576 H HB2 . HIS A 1 110 ? 16.588 0.421 13.010 1.00 9.59 ? 110 HIS A HB2 1 ATOM 1577 H HB3 . HIS A 1 110 ? 18.059 0.146 12.509 1.00 9.59 ? 110 HIS A HB3 1 ATOM 1578 H HD1 . HIS A 1 110 ? 14.675 -0.576 11.553 1.00 7.42 ? 110 HIS A HD1 1 ATOM 1579 H HD2 . HIS A 1 110 ? 18.220 -0.795 10.001 1.00 6.92 ? 110 HIS A HD2 1 ATOM 1580 H HE1 . HIS A 1 110 ? 14.379 -1.064 9.257 1.00 7.42 ? 110 HIS A HE1 1 ATOM 1581 N N . SER A 1 111 ? 15.328 -1.194 14.960 1.00 6.55 ? 111 SER A N 1 ATOM 1582 C CA . SER A 1 111 ? 13.931 -1.491 15.202 1.00 6.53 ? 111 SER A CA 1 ATOM 1583 C C . SER A 1 111 ? 13.148 -1.385 13.895 1.00 6.38 ? 111 SER A C 1 ATOM 1584 O O . SER A 1 111 ? 13.415 -0.512 13.068 1.00 6.95 ? 111 SER A O 1 ATOM 1585 C CB . SER A 1 111 ? 13.317 -0.517 16.181 1.00 7.40 ? 111 SER A CB 1 ATOM 1586 O OG . SER A 1 111 ? 11.979 -0.876 16.361 1.00 8.32 ? 111 SER A OG 1 ATOM 1587 H H . SER A 1 111 ? 15.728 -0.459 15.526 1.00 8.23 ? 111 SER A H 1 ATOM 1588 H HA . SER A 1 111 ? 13.850 -2.395 15.564 1.00 6.81 ? 111 SER A HA 1 ATOM 1589 H HB2 . SER A 1 111 ? 13.782 -0.569 17.029 1.00 9.66 ? 111 SER A HB2 1 ATOM 1590 H HB3 . SER A 1 111 ? 13.366 0.381 15.820 1.00 9.66 ? 111 SER A HB3 1 ATOM 1591 N N . HIS A 1 112 ? 12.167 -2.254 13.757 1.00 6.59 ? 112 HIS A N 1 ATOM 1592 C CA . HIS A 1 112 ? 11.281 -2.215 12.623 1.00 7.08 ? 112 HIS A CA 1 ATOM 1593 C C . HIS A 1 112 ? 9.848 -2.253 13.091 1.00 7.39 ? 112 HIS A C 1 ATOM 1594 O O . HIS A 1 112 ? 8.993 -2.898 12.484 1.00 8.83 ? 112 HIS A O 1 ATOM 1595 C CB . HIS A 1 112 ? 11.629 -3.308 11.606 1.00 7.32 ? 112 HIS A CB 1 ATOM 1596 C CG . HIS A 1 112 ? 11.339 -2.947 10.209 1.00 6.95 ? 112 HIS A CG 1 ATOM 1597 N ND1 . HIS A 1 112 ? 10.193 -2.387 9.783 1.00 8.07 ? 112 HIS A ND1 1 ATOM 1598 C CD2 . HIS A 1 112 ? 12.102 -3.031 9.100 1.00 7.20 ? 112 HIS A CD2 1 ATOM 1599 C CE1 . HIS A 1 112 ? 10.292 -2.146 8.482 1.00 8.47 ? 112 HIS A CE1 1 ATOM 1600 N NE2 . HIS A 1 112 ? 11.482 -2.527 8.021 1.00 7.63 ? 112 HIS A NE2 1 ATOM 1601 H H . HIS A 1 112 ? 11.961 -2.994 14.412 1.00 6.81 ? 112 HIS A H 1 ATOM 1602 H HA . HIS A 1 112 ? 11.391 -1.357 12.163 1.00 7.24 ? 112 HIS A HA 1 ATOM 1603 H HB2 . HIS A 1 112 ? 12.580 -3.488 11.664 1.00 9.68 ? 112 HIS A HB2 1 ATOM 1604 H HB3 . HIS A 1 112 ? 11.137 -4.113 11.823 1.00 9.68 ? 112 HIS A HB3 1 ATOM 1605 H HD1 . HIS A 1 112 ? 9.513 -2.199 10.274 1.00 8.29 ? 112 HIS A HD1 1 ATOM 1606 H HD2 . HIS A 1 112 ? 12.969 -3.364 9.089 1.00 7.40 ? 112 HIS A HD2 1 ATOM 1607 H HE1 . HIS A 1 112 ? 9.619 -1.773 7.960 1.00 8.29 ? 112 HIS A HE1 1 ATOM 1608 N N . LEU A 1 113 ? 9.616 -1.530 14.177 1.00 7.94 ? 113 LEU A N 1 ATOM 1609 C CA . LEU A 1 113 ? 8.283 -1.276 14.709 1.00 8.51 ? 113 LEU A CA 1 ATOM 1610 C C . LEU A 1 113 ? 8.076 0.241 14.688 1.00 7.85 ? 113 LEU A C 1 ATOM 1611 O O . LEU A 1 113 ? 8.837 0.977 15.310 1.00 8.73 ? 113 LEU A O 1 ATOM 1612 C CB . LEU A 1 113 ? 8.182 -1.769 16.128 1.00 8.85 ? 113 LEU A CB 1 ATOM 1613 C CG . LEU A 1 113 ? 6.858 -1.462 16.813 1.00 9.14 ? 113 LEU A CG 1 ATOM 1614 C CD1 . LEU A 1 113 ? 5.695 -2.132 16.149 1.00 11.24 ? 113 LEU A CD1 1 ATOM 1615 C CD2 . LEU A 1 113 ? 6.939 -1.826 18.244 1.00 11.51 ? 113 LEU A CD2 1 ATOM 1616 H H . LEU A 1 113 ? 10.338 -1.088 14.727 1.00 8.03 ? 113 LEU A H 1 ATOM 1617 H HA . LEU A 1 113 ? 7.596 -1.712 14.163 1.00 11.13 ? 113 LEU A HA 1 ATOM 1618 H HB2 . LEU A 1 113 ? 8.297 -2.732 16.130 1.00 11.13 ? 113 LEU A HB2 1 ATOM 1619 H HB3 . LEU A 1 113 ? 8.889 -1.356 16.648 1.00 11.13 ? 113 LEU A HB3 1 ATOM 1620 H HG . LEU A 1 113 ? 6.697 -0.506 16.778 1.00 9.31 ? 113 LEU A HG 1 ATOM 1621 H HD11 . LEU A 1 113 ? 5.516 -1.693 15.314 1.00 11.13 ? 113 LEU A HD11 1 ATOM 1622 H HD12 . LEU A 1 113 ? 4.926 -2.070 16.720 1.00 11.13 ? 113 LEU A HD12 1 ATOM 1623 H HD13 . LEU A 1 113 ? 5.914 -3.054 15.993 1.00 11.13 ? 113 LEU A HD13 1 ATOM 1624 H HD21 . LEU A 1 113 ? 7.077 -2.773 18.318 1.00 11.13 ? 113 LEU A HD21 1 ATOM 1625 H HD22 . LEU A 1 113 ? 6.118 -1.580 18.677 1.00 11.13 ? 113 LEU A HD22 1 ATOM 1626 H HD23 . LEU A 1 113 ? 7.673 -1.356 18.647 1.00 11.13 ? 113 LEU A HD23 1 ATOM 1627 N N . SER A 1 114 ? 7.062 0.681 13.978 1.00 8.49 ? 114 SER A N 1 ATOM 1628 C CA . SER A 1 114 ? 6.740 2.084 13.935 1.00 9.01 ? 114 SER A CA 1 ATOM 1629 C C . SER A 1 114 ? 8.014 2.873 13.589 1.00 9.07 ? 114 SER A C 1 ATOM 1630 O O . SER A 1 114 ? 8.806 2.424 12.779 1.00 9.93 ? 114 SER A O 1 ATOM 1631 C CB . SER A 1 114 ? 6.069 2.480 15.254 1.00 9.81 ? 114 SER A CB 1 ATOM 1632 O OG . SER A 1 114 ? 5.650 3.819 15.291 1.00 12.05 ? 114 SER A OG 1 ATOM 1633 H H . SER A 1 114 ? 6.448 0.099 13.425 1.00 11.13 ? 114 SER A H 1 ATOM 1634 H HA . SER A 1 114 ? 6.092 2.231 13.217 1.00 22.88 ? 114 SER A HA 1 ATOM 1635 H HB2 . SER A 1 114 ? 5.294 1.913 15.386 1.00 9.83 ? 114 SER A HB2 1 ATOM 1636 H HB3 . SER A 1 114 ? 6.697 2.342 15.980 1.00 9.83 ? 114 SER A HB3 1 ATOM 1637 N N . THR A 1 115 ? 8.197 4.022 14.211 1.00 8.67 ? 115 THR A N 1 ATOM 1638 C CA . THR A 1 115 ? 9.359 4.880 14.048 1.00 8.91 ? 115 THR A CA 1 ATOM 1639 C C . THR A 1 115 ? 10.309 4.713 15.195 1.00 8.32 ? 115 THR A C 1 ATOM 1640 O O . THR A 1 115 ? 11.148 5.560 15.457 1.00 9.00 ? 115 THR A O 1 ATOM 1641 C CB . THR A 1 115 ? 8.892 6.317 13.924 1.00 9.10 ? 115 THR A CB 1 ATOM 1642 O OG1 . THR A 1 115 ? 8.057 6.568 15.030 1.00 10.74 ? 115 THR A OG1 1 ATOM 1643 C CG2 . THR A 1 115 ? 8.139 6.527 12.617 1.00 12.51 ? 115 THR A CG2 1 ATOM 1644 H H . THR A 1 115 ? 7.532 4.414 14.861 1.00 8.98 ? 115 THR A H 1 ATOM 1645 H HA . THR A 1 115 ? 9.827 4.646 13.226 1.00 23.04 ? 115 THR A HA 1 ATOM 1646 H HB . THR A 1 115 ? 9.651 6.920 13.940 1.00 9.40 ? 115 THR A HB 1 ATOM 1647 H HG21 . THR A 1 115 ? 8.673 6.225 11.878 1.00 23.04 ? 115 THR A HG21 1 ATOM 1648 H HG22 . THR A 1 115 ? 7.942 7.459 12.499 1.00 23.04 ? 115 THR A HG22 1 ATOM 1649 H HG23 . THR A 1 115 ? 7.315 6.034 12.628 1.00 23.04 ? 115 THR A HG23 1 ATOM 1650 N N . GLN A 1 116 ? 10.265 3.563 15.859 1.00 7.93 ? 116 GLN A N 1 ATOM 1651 C CA . GLN A 1 116 ? 11.073 3.339 17.037 1.00 7.72 ? 116 GLN A CA 1 ATOM 1652 C C . GLN A 1 116 ? 12.567 3.393 16.765 1.00 7.45 ? 116 GLN A C 1 ATOM 1653 O O . GLN A 1 116 ? 13.313 3.764 17.668 1.00 7.90 ? 116 GLN A O 1 ATOM 1654 C CB . GLN A 1 116 ? 10.676 2.045 17.699 1.00 8.23 ? 116 GLN A CB 1 ATOM 1655 C CG . GLN A 1 116 ? 11.346 1.774 19.018 1.00 8.51 ? 116 GLN A CG 1 ATOM 1656 C CD . GLN A 1 116 ? 10.945 0.441 19.541 1.00 8.27 ? 116 GLN A CD 1 ATOM 1657 O OE1 . GLN A 1 116 ? 11.289 -0.579 18.959 1.00 8.95 ? 116 GLN A OE1 1 ATOM 1658 N NE2 . GLN A 1 116 ? 10.192 0.422 20.625 1.00 8.74 ? 116 GLN A NE2 1 ATOM 1659 H H . GLN A 1 116 ? 9.699 2.768 15.606 1.00 8.27 ? 116 GLN A H 1 ATOM 1660 H HA . GLN A 1 116 ? 10.882 4.056 17.675 1.00 7.87 ? 116 GLN A HA 1 ATOM 1661 H HB2 . GLN A 1 116 ? 9.719 2.060 17.858 1.00 8.27 ? 116 GLN A HB2 1 ATOM 1662 H HB3 . GLN A 1 116 ? 10.893 1.316 17.099 1.00 8.27 ? 116 GLN A HB3 1 ATOM 1663 H HG2 . GLN A 1 116 ? 12.308 1.762 18.903 1.00 10.55 ? 116 GLN A HG2 1 ATOM 1664 H HG3 . GLN A 1 116 ? 11.092 2.460 19.655 1.00 10.55 ? 116 GLN A HG3 1 ATOM 1665 H HE21 . GLN A 1 116 ? 9.981 -0.330 20.987 1.00 10.71 ? 116 GLN A HE21 1 ATOM 1666 H HE22 . GLN A 1 116 ? 9.909 1.156 20.974 1.00 10.71 ? 116 GLN A HE22 1 ATOM 1667 N N . TYR A 1 117 ? 13.043 3.047 15.570 1.00 7.51 ? 117 TYR A N 1 ATOM 1668 C CA . TYR A 1 117 ? 14.466 3.114 15.419 1.00 7.52 ? 117 TYR A CA 1 ATOM 1669 C C . TYR A 1 117 ? 14.962 4.529 15.538 1.00 7.26 ? 117 TYR A C 1 ATOM 1670 O O . TYR A 1 117 ? 16.099 4.761 15.937 1.00 7.81 ? 117 TYR A O 1 ATOM 1671 C CB . TYR A 1 117 ? 15.008 2.377 14.199 1.00 7.50 ? 117 TYR A CB 1 ATOM 1672 C CG . TYR A 1 117 ? 15.112 3.045 12.846 1.00 7.21 ? 117 TYR A CG 1 ATOM 1673 C CD1 . TYR A 1 117 ? 16.130 3.939 12.553 1.00 7.81 ? 117 TYR A CD1 1 ATOM 1674 C CD2 . TYR A 1 117 ? 14.343 2.642 11.790 1.00 8.19 ? 117 TYR A CD2 1 ATOM 1675 C CE1 . TYR A 1 117 ? 16.325 4.428 11.292 1.00 8.17 ? 117 TYR A CE1 1 ATOM 1676 C CE2 . TYR A 1 117 ? 14.537 3.106 10.527 1.00 7.77 ? 117 TYR A CE2 1 ATOM 1677 C CZ . TYR A 1 117 ? 15.536 3.999 10.259 1.00 7.20 ? 117 TYR A CZ 1 ATOM 1678 O OH . TYR A 1 117 ? 15.679 4.420 8.980 1.00 7.72 ? 117 TYR A OH 1 ATOM 1679 H H . TYR A 1 117 ? 12.515 2.744 14.764 1.00 9.61 ? 117 TYR A H 1 ATOM 1680 H HA . TYR A 1 117 ? 14.859 2.635 16.180 1.00 7.56 ? 117 TYR A HA 1 ATOM 1681 H HB2 . TYR A 1 117 ? 15.909 2.103 14.420 1.00 9.61 ? 117 TYR A HB2 1 ATOM 1682 H HB3 . TYR A 1 117 ? 14.466 1.584 14.079 1.00 9.61 ? 117 TYR A HB3 1 ATOM 1683 H HD1 . TYR A 1 117 ? 16.702 4.205 13.234 1.00 8.40 ? 117 TYR A HD1 1 ATOM 1684 H HD2 . TYR A 1 117 ? 13.690 1.995 11.929 1.00 9.61 ? 117 TYR A HD2 1 ATOM 1685 H HE1 . TYR A 1 117 ? 17.011 5.036 11.130 1.00 8.40 ? 117 TYR A HE1 1 ATOM 1686 H HE2 . TYR A 1 117 ? 13.985 2.812 9.838 1.00 9.61 ? 117 TYR A HE2 1 ATOM 1687 N N . CYS A 1 118 ? 14.117 5.497 15.228 1.00 7.75 ? 118 CYS A N 1 ATOM 1688 C CA . CYS A 1 118 ? 14.553 6.878 15.376 1.00 8.17 ? 118 CYS A CA 1 ATOM 1689 C C . CYS A 1 118 ? 14.886 7.205 16.813 1.00 8.21 ? 118 CYS A C 1 ATOM 1690 O O . CYS A 1 118 ? 15.778 7.976 17.072 1.00 8.81 ? 118 CYS A O 1 ATOM 1691 C CB . CYS A 1 118 ? 13.518 7.827 14.811 1.00 9.49 ? 118 CYS A CB 1 ATOM 1692 S SG A CYS A 1 118 ? 12.895 7.402 13.144 0.70 8.12 ? 118 CYS A SG 1 ATOM 1693 S SG B CYS A 1 118 ? 14.468 9.101 13.957 0.15 13.44 ? 118 CYS A SG 1 ATOM 1694 S SG C CYS A 1 118 ? 13.942 9.529 15.033 0.15 16.97 ? 118 CYS A SG 1 ATOM 1695 H H . CYS A 1 118 ? 13.177 5.375 14.877 1.00 7.95 ? 118 CYS A H 1 ATOM 1696 N N . ASP A 1 119 ? 14.153 6.587 17.747 1.00 8.18 ? 119 ASP A N 1 ATOM 1697 C CA . ASP A 1 119 ? 14.381 6.797 19.156 1.00 8.13 ? 119 ASP A CA 1 ATOM 1698 C C . ASP A 1 119 ? 15.629 6.100 19.683 1.00 8.13 ? 119 ASP A C 1 ATOM 1699 O O . ASP A 1 119 ? 15.942 6.278 20.858 1.00 8.74 ? 119 ASP A O 1 ATOM 1700 C CB . ASP A 1 119 ? 13.160 6.365 19.948 1.00 8.17 ? 119 ASP A CB 1 ATOM 1701 C CG . ASP A 1 119 ? 12.003 7.318 19.834 1.00 9.38 ? 119 ASP A CG 1 ATOM 1702 O OD1 . ASP A 1 119 ? 12.203 8.560 19.681 1.00 9.66 ? 119 ASP A OD1 1 ATOM 1703 O OD2 . ASP A 1 119 ? 10.858 6.847 19.963 1.00 10.66 ? 119 ASP A OD2 1 ATOM 1704 H H . ASP A 1 119 ? 13.394 5.951 17.551 1.00 8.42 ? 119 ASP A H 1 ATOM 1705 H HA . ASP A 1 119 ? 14.509 7.756 19.313 1.00 8.16 ? 119 ASP A HA 1 ATOM 1706 H HB2 . ASP A 1 119 ? 12.865 5.495 19.637 1.00 8.42 ? 119 ASP A HB2 1 ATOM 1707 H HB3 . ASP A 1 119 ? 13.392 6.311 20.888 1.00 8.42 ? 119 ASP A HB3 1 ATOM 1708 N N . GLY A 1 120 ? 16.374 5.371 18.850 1.00 8.05 ? 120 GLY A N 1 ATOM 1709 C CA . GLY A 1 120 ? 17.722 5.014 19.181 1.00 7.84 ? 120 GLY A CA 1 ATOM 1710 C C . GLY A 1 120 ? 18.131 3.597 18.863 1.00 7.10 ? 120 GLY A C 1 ATOM 1711 O O . GLY A 1 120 ? 19.305 3.292 18.974 1.00 7.55 ? 120 GLY A O 1 ATOM 1712 H H . GLY A 1 120 ? 16.071 5.032 17.953 1.00 9.70 ? 120 GLY A H 1 ATOM 1713 H HA2 . GLY A 1 120 ? 18.318 5.601 18.691 1.00 8.03 ? 120 GLY A HA2 1 ATOM 1714 H HA3 . GLY A 1 120 ? 17.885 5.158 20.125 1.00 8.03 ? 120 GLY A HA3 1 ATOM 1715 N N . LEU A 1 121 ? 17.208 2.752 18.439 1.00 7.08 ? 121 LEU A N 1 ATOM 1716 C CA . LEU A 1 121 ? 17.525 1.327 18.285 1.00 7.14 ? 121 LEU A CA 1 ATOM 1717 C C . LEU A 1 121 ? 18.066 1.115 16.887 1.00 6.59 ? 121 LEU A C 1 ATOM 1718 O O . LEU A 1 121 ? 17.337 0.774 15.962 1.00 7.08 ? 121 LEU A O 1 ATOM 1719 C CB . LEU A 1 121 ? 16.322 0.479 18.577 1.00 7.61 ? 121 LEU A CB 1 ATOM 1720 C CG . LEU A 1 121 ? 16.651 -0.934 19.063 1.00 8.24 ? 121 LEU A CG 1 ATOM 1721 C CD1 . LEU A 1 121 ? 15.360 -1.712 19.295 1.00 8.85 ? 121 LEU A CD1 1 ATOM 1722 C CD2 . LEU A 1 121 ? 17.585 -1.675 18.121 1.00 8.44 ? 121 LEU A CD2 1 ATOM 1723 H H . LEU A 1 121 ? 16.257 2.985 18.197 1.00 9.70 ? 121 LEU A H 1 ATOM 1724 H HA . LEU A 1 121 ? 18.221 1.070 18.926 1.00 7.11 ? 121 LEU A HA 1 ATOM 1725 H HB2 . LEU A 1 121 ? 15.805 0.913 19.271 1.00 9.70 ? 121 LEU A HB2 1 ATOM 1726 H HB3 . LEU A 1 121 ? 15.779 0.399 17.779 1.00 9.70 ? 121 LEU A HB3 1 ATOM 1727 H HG . LEU A 1 121 ? 17.102 -0.864 19.919 1.00 8.56 ? 121 LEU A HG 1 ATOM 1728 H HD11 . LEU A 1 121 ? 14.751 -1.164 19.795 1.00 9.68 ? 121 LEU A HD11 1 ATOM 1729 H HD12 . LEU A 1 121 ? 15.562 -2.509 19.791 1.00 9.68 ? 121 LEU A HD12 1 ATOM 1730 H HD13 . LEU A 1 121 ? 14.975 -1.936 18.446 1.00 9.68 ? 121 LEU A HD13 1 ATOM 1731 H HD21 . LEU A 1 121 ? 17.273 -1.570 17.219 1.00 10.16 ? 121 LEU A HD21 1 ATOM 1732 H HD22 . LEU A 1 121 ? 17.584 -2.606 18.356 1.00 10.16 ? 121 LEU A HD22 1 ATOM 1733 H HD23 . LEU A 1 121 ? 18.473 -1.322 18.211 1.00 10.16 ? 121 LEU A HD23 1 ATOM 1734 N N . ARG A 1 122 ? 19.354 1.351 16.743 1.00 6.60 ? 122 ARG A N 1 ATOM 1735 C CA . ARG A 1 122 ? 20.046 1.271 15.476 1.00 7.30 ? 122 ARG A CA 1 ATOM 1736 C C . ARG A 1 122 ? 21.482 0.992 15.748 1.00 7.06 ? 122 ARG A C 1 ATOM 1737 O O . ARG A 1 122 ? 22.059 1.621 16.623 1.00 7.95 ? 122 ARG A O 1 ATOM 1738 C CB . ARG A 1 122 ? 19.927 2.543 14.679 1.00 11.98 ? 122 ARG A CB 1 ATOM 1739 C CG . ARG A 1 122 ? 19.199 3.669 15.112 1.00 9.38 ? 122 ARG A CG 1 ATOM 1740 C CD . ARG A 1 122 ? 19.235 4.900 14.270 1.00 7.19 ? 122 ARG A CD 1 ATOM 1741 N NE . ARG A 1 122 ? 18.431 5.979 14.851 1.00 7.66 ? 122 ARG A NE 1 ATOM 1742 C CZ . ARG A 1 122 ? 18.525 7.243 14.498 1.00 7.63 ? 122 ARG A CZ 1 ATOM 1743 N NH1 . ARG A 1 122 ? 19.285 7.596 13.481 1.00 7.87 ? 122 ARG A NH1 1 ATOM 1744 N NH2 . ARG A 1 122 ? 17.865 8.167 15.168 1.00 8.37 ? 122 ARG A NH2 1 ATOM 1745 H H . ARG A 1 122 ? 19.957 1.613 17.511 1.00 7.11 ? 122 ARG A H 1 ATOM 1746 H HA . ARG A 1 122 ? 19.676 0.537 14.946 1.00 8.29 ? 122 ARG A HA 1 ATOM 1747 H HB2 . ARG A 1 122 ? 20.826 2.866 14.508 1.00 8.29 ? 122 ARG A HB2 1 ATOM 1748 H HB3 . ARG A 1 122 ? 19.533 2.295 13.829 1.00 8.28 ? 122 ARG A HB3 1 ATOM 1749 H HG2 . ARG A 1 122 ? 18.268 3.408 15.181 1.00 8.40 ? 122 ARG A HG2 1 ATOM 1750 H HG3 . ARG A 1 122 ? 19.524 3.913 15.990 1.00 8.40 ? 122 ARG A HG3 1 ATOM 1751 H HD2 . ARG A 1 122 ? 20.155 5.199 14.207 1.00 8.40 ? 122 ARG A HD2 1 ATOM 1752 H HD3 . ARG A 1 122 ? 18.887 4.695 13.390 1.00 8.40 ? 122 ARG A HD3 1 ATOM 1753 H HE . ARG A 1 122 ? 17.675 5.721 15.403 1.00 8.40 ? 122 ARG A HE 1 ATOM 1754 H HH11 . ARG A 1 122 ? 19.751 7.015 13.052 1.00 8.40 ? 122 ARG A HH11 1 ATOM 1755 H HH12 . ARG A 1 122 ? 19.325 8.422 13.244 1.00 8.40 ? 122 ARG A HH12 1 ATOM 1756 H HH21 . ARG A 1 122 ? 17.348 7.943 15.815 1.00 8.40 ? 122 ARG A HH21 1 ATOM 1757 H HH22 . ARG A 1 122 ? 17.879 8.985 14.902 1.00 8.40 ? 122 ARG A HH22 1 ATOM 1758 N N . GLY A 1 123 ? 22.111 0.108 14.976 1.00 6.82 ? 123 GLY A N 1 ATOM 1759 C CA . GLY A 1 123 ? 23.528 -0.143 15.122 1.00 7.40 ? 123 GLY A CA 1 ATOM 1760 C C . GLY A 1 123 ? 24.076 -0.843 13.933 1.00 7.03 ? 123 GLY A C 1 ATOM 1761 O O . GLY A 1 123 ? 23.323 -1.341 13.097 1.00 7.20 ? 123 GLY A O 1 ATOM 1762 H H . GLY A 1 123 ? 21.663 -0.438 14.253 1.00 8.29 ? 123 GLY A H 1 ATOM 1763 H HA2 . GLY A 1 123 ? 23.988 0.704 15.227 1.00 8.28 ? 123 GLY A HA2 1 ATOM 1764 H HA3 . GLY A 1 123 ? 23.688 -0.687 15.909 1.00 8.28 ? 123 GLY A HA3 1 ATOM 1765 N N . PRO A 1 124 ? 25.396 -0.918 13.831 1.00 7.66 ? 124 PRO A N 1 ATOM 1766 C CA . PRO A 1 124 ? 26.000 -1.575 12.688 1.00 7.87 ? 124 PRO A CA 1 ATOM 1767 C C . PRO A 1 124 ? 26.002 -3.081 12.804 1.00 7.25 ? 124 PRO A C 1 ATOM 1768 O O . PRO A 1 124 ? 25.992 -3.632 13.886 1.00 8.36 ? 124 PRO A O 1 ATOM 1769 C CB . PRO A 1 124 ? 27.418 -1.023 12.683 1.00 10.37 ? 124 PRO A CB 1 ATOM 1770 C CG . PRO A 1 124 ? 27.576 -0.235 13.900 1.00 9.60 ? 124 PRO A CG 1 ATOM 1771 C CD . PRO A 1 124 ? 26.388 -0.314 14.732 1.00 8.41 ? 124 PRO A CD 1 ATOM 1772 H HA . PRO A 1 124 ? 25.553 -1.308 11.858 1.00 7.67 ? 124 PRO A HA 1 ATOM 1773 H HB2 . PRO A 1 124 ? 28.057 -1.753 12.671 1.00 9.74 ? 124 PRO A HB2 1 ATOM 1774 H HB3 . PRO A 1 124 ? 27.537 -0.461 11.902 1.00 9.74 ? 124 PRO A HB3 1 ATOM 1775 H HG2 . PRO A 1 124 ? 28.340 -0.571 14.390 1.00 9.74 ? 124 PRO A HG2 1 ATOM 1776 H HG3 . PRO A 1 124 ? 27.734 0.689 13.649 1.00 9.74 ? 124 PRO A HG3 1 ATOM 1777 H HD2 . PRO A 1 124 ? 26.547 -0.888 15.498 1.00 8.28 ? 124 PRO A HD2 1 ATOM 1778 H HD3 . PRO A 1 124 ? 26.124 0.578 15.003 1.00 8.28 ? 124 PRO A HD3 1 ATOM 1779 N N . PHE A 1 125 ? 26.093 -3.714 11.645 1.00 7.16 ? 125 PHE A N 1 ATOM 1780 C CA . PHE A 1 125 ? 26.079 -5.188 11.550 1.00 7.57 ? 125 PHE A CA 1 ATOM 1781 C C . PHE A 1 125 ? 27.027 -5.518 10.457 1.00 7.19 ? 125 PHE A C 1 ATOM 1782 O O . PHE A 1 125 ? 26.786 -5.161 9.317 1.00 8.12 ? 125 PHE A O 1 ATOM 1783 C CB . PHE A 1 125 ? 24.664 -5.645 11.238 1.00 7.80 ? 125 PHE A CB 1 ATOM 1784 C CG . PHE A 1 125 ? 24.421 -7.144 11.319 1.00 7.87 ? 125 PHE A CG 1 ATOM 1785 C CD1 . PHE A 1 125 ? 23.569 -7.661 12.238 1.00 8.58 ? 125 PHE A CD1 1 ATOM 1786 C CD2 . PHE A 1 125 ? 25.050 -7.999 10.453 1.00 9.46 ? 125 PHE A CD2 1 ATOM 1787 C CE1 . PHE A 1 125 ? 23.316 -8.992 12.325 1.00 9.58 ? 125 PHE A CE1 1 ATOM 1788 C CE2 . PHE A 1 125 ? 24.802 -9.358 10.527 1.00 10.32 ? 125 PHE A CE2 1 ATOM 1789 C CZ . PHE A 1 125 ? 23.929 -9.855 11.476 1.00 10.03 ? 125 PHE A CZ 1 ATOM 1790 H H . PHE A 1 125 ? 26.180 -3.246 10.754 1.00 7.67 ? 125 PHE A H 1 ATOM 1791 H HA . PHE A 1 125 ? 26.374 -5.596 12.386 1.00 7.77 ? 125 PHE A HA 1 ATOM 1792 H HB2 . PHE A 1 125 ? 24.065 -5.215 11.867 1.00 7.94 ? 125 PHE A HB2 1 ATOM 1793 H HB3 . PHE A 1 125 ? 24.435 -5.364 10.339 1.00 7.94 ? 125 PHE A HB3 1 ATOM 1794 H HD1 . PHE A 1 125 ? 23.136 -7.086 12.826 1.00 7.94 ? 125 PHE A HD1 1 ATOM 1795 H HD2 . PHE A 1 125 ? 25.632 -7.673 9.807 1.00 7.94 ? 125 PHE A HD2 1 ATOM 1796 H HE1 . PHE A 1 125 ? 22.728 -9.313 12.971 1.00 7.94 ? 125 PHE A HE1 1 ATOM 1797 H HE2 . PHE A 1 125 ? 25.230 -9.940 9.941 1.00 7.94 ? 125 PHE A HE2 1 ATOM 1798 H HZ . PHE A 1 125 ? 23.767 -10.769 11.534 1.00 7.94 ? 125 PHE A HZ 1 ATOM 1799 N N . VAL A 1 126 ? 28.159 -6.158 10.769 1.00 7.32 ? 126 VAL A N 1 ATOM 1800 C CA . VAL A 1 126 ? 29.192 -6.384 9.778 1.00 7.60 ? 126 VAL A CA 1 ATOM 1801 C C . VAL A 1 126 ? 29.408 -7.859 9.631 1.00 7.75 ? 126 VAL A C 1 ATOM 1802 O O . VAL A 1 126 ? 29.604 -8.593 10.593 1.00 8.96 ? 126 VAL A O 1 ATOM 1803 C CB . VAL A 1 126 ? 30.482 -5.673 10.149 1.00 8.67 ? 126 VAL A CB 1 ATOM 1804 C CG1 . VAL A 1 126 ? 31.502 -5.957 9.046 1.00 9.80 ? 126 VAL A CG1 1 ATOM 1805 C CG2 . VAL A 1 126 ? 30.222 -4.177 10.248 1.00 10.30 ? 126 VAL A CG2 1 ATOM 1806 H H . VAL A 1 126 ? 28.380 -6.523 11.685 1.00 7.77 ? 126 VAL A H 1 ATOM 1807 H HA . VAL A 1 126 ? 28.902 -6.029 8.913 1.00 10.31 ? 126 VAL A HA 1 ATOM 1808 H HB . VAL A 1 126 ? 30.824 -6.005 11.005 1.00 8.85 ? 126 VAL A HB 1 ATOM 1809 H HG11 . VAL A 1 126 ? 31.908 -6.812 9.205 1.00 10.31 ? 126 VAL A HG11 1 ATOM 1810 H HG12 . VAL A 1 126 ? 32.178 -5.276 9.062 1.00 10.31 ? 126 VAL A HG12 1 ATOM 1811 H HG13 . VAL A 1 126 ? 31.063 -5.955 8.192 1.00 10.31 ? 126 VAL A HG13 1 ATOM 1812 H HG21 . VAL A 1 126 ? 29.775 -3.884 9.451 1.00 10.31 ? 126 VAL A HG21 1 ATOM 1813 H HG22 . VAL A 1 126 ? 31.060 -3.718 10.341 1.00 10.31 ? 126 VAL A HG22 1 ATOM 1814 H HG23 . VAL A 1 126 ? 29.672 -4.004 11.015 1.00 10.31 ? 126 VAL A HG23 1 ATOM 1815 N N . VAL A 1 127 ? 29.392 -8.297 8.369 1.00 7.78 ? 127 VAL A N 1 ATOM 1816 C CA . VAL A 1 127 ? 29.724 -9.676 8.023 1.00 8.02 ? 127 VAL A CA 1 ATOM 1817 C C . VAL A 1 127 ? 31.033 -9.640 7.288 1.00 8.24 ? 127 VAL A C 1 ATOM 1818 O O . VAL A 1 127 ? 31.115 -9.212 6.147 1.00 8.40 ? 127 VAL A O 1 ATOM 1819 C CB . VAL A 1 127 ? 28.611 -10.318 7.202 1.00 8.31 ? 127 VAL A CB 1 ATOM 1820 C CG1 . VAL A 1 127 ? 29.015 -11.735 6.882 1.00 9.03 ? 127 VAL A CG1 1 ATOM 1821 C CG2 . VAL A 1 127 ? 27.280 -10.264 7.912 1.00 8.69 ? 127 VAL A CG2 1 ATOM 1822 H H . VAL A 1 127 ? 29.155 -7.729 7.568 1.00 10.31 ? 127 VAL A H 1 ATOM 1823 H HA . VAL A 1 127 ? 29.830 -10.209 8.836 1.00 9.66 ? 127 VAL A HA 1 ATOM 1824 H HB . VAL A 1 127 ? 28.518 -9.833 6.356 1.00 7.95 ? 127 VAL A HB 1 ATOM 1825 H HG11 . VAL A 1 127 ? 29.694 -11.729 6.204 1.00 9.66 ? 127 VAL A HG11 1 ATOM 1826 H HG12 . VAL A 1 127 ? 28.247 -12.214 6.561 1.00 9.66 ? 127 VAL A HG12 1 ATOM 1827 H HG13 . VAL A 1 127 ? 29.348 -12.154 7.678 1.00 9.66 ? 127 VAL A HG13 1 ATOM 1828 H HG21 . VAL A 1 127 ? 27.392 -10.589 8.809 1.00 9.65 ? 127 VAL A HG21 1 ATOM 1829 H HG22 . VAL A 1 127 ? 26.648 -10.812 7.442 1.00 9.65 ? 127 VAL A HG22 1 ATOM 1830 H HG23 . VAL A 1 127 ? 26.971 -9.355 7.930 1.00 9.65 ? 127 VAL A HG23 1 ATOM 1831 N N . TYR A 1 128 ? 32.089 -10.025 8.007 1.00 9.76 ? 128 TYR A N 1 ATOM 1832 C CA . TYR A 1 128 ? 33.412 -9.974 7.474 1.00 10.38 ? 128 TYR A CA 1 ATOM 1833 C C . TYR A 1 128 ? 33.622 -11.116 6.512 1.00 10.87 ? 128 TYR A C 1 ATOM 1834 O O . TYR A 1 128 ? 33.022 -12.155 6.627 1.00 11.65 ? 128 TYR A O 1 ATOM 1835 C CB . TYR A 1 128 ? 34.449 -9.940 8.622 1.00 11.88 ? 128 TYR A CB 1 ATOM 1836 C CG . TYR A 1 128 ? 34.430 -8.668 9.413 1.00 11.83 ? 128 TYR A CG 1 ATOM 1837 C CD1 . TYR A 1 128 ? 35.073 -7.554 8.966 1.00 11.09 ? 128 TYR A CD1 1 ATOM 1838 C CD2 . TYR A 1 128 ? 33.772 -8.589 10.649 1.00 12.78 ? 128 TYR A CD2 1 ATOM 1839 C CE1 . TYR A 1 128 ? 35.087 -6.370 9.674 1.00 11.45 ? 128 TYR A CE1 1 ATOM 1840 C CE2 . TYR A 1 128 ? 33.770 -7.403 11.365 1.00 12.88 ? 128 TYR A CE2 1 ATOM 1841 C CZ . TYR A 1 128 ? 34.404 -6.283 10.882 1.00 12.18 ? 128 TYR A CZ 1 ATOM 1842 O OH . TYR A 1 128 ? 34.382 -5.134 11.596 1.00 12.57 ? 128 TYR A OH 1 ATOM 1843 H H . TYR A 1 128 ? 32.037 -10.374 8.953 1.00 9.66 ? 128 TYR A H 1 ATOM 1844 H HA . TYR A 1 128 ? 33.519 -9.139 6.971 1.00 10.88 ? 128 TYR A HA 1 ATOM 1845 H HB2 . TYR A 1 128 ? 34.274 -10.673 9.231 1.00 9.66 ? 128 TYR A HB2 1 ATOM 1846 H HB3 . TYR A 1 128 ? 35.336 -10.036 8.241 1.00 9.66 ? 128 TYR A HB3 1 ATOM 1847 H HD1 . TYR A 1 128 ? 35.520 -7.592 8.152 1.00 11.47 ? 128 TYR A HD1 1 ATOM 1848 H HD2 . TYR A 1 128 ? 33.323 -9.332 10.982 1.00 9.80 ? 128 TYR A HD2 1 ATOM 1849 H HE1 . TYR A 1 128 ? 35.519 -5.623 9.327 1.00 11.47 ? 128 TYR A HE1 1 ATOM 1850 H HE2 . TYR A 1 128 ? 33.314 -7.358 12.175 1.00 9.80 ? 128 TYR A HE2 1 ATOM 1851 N N . ASP A 1 129 ? 34.579 -10.918 5.614 1.00 11.21 ? 129 ASP A N 1 ATOM 1852 C CA . ASP A 1 129 ? 34.941 -11.959 4.642 1.00 11.48 ? 129 ASP A CA 1 ATOM 1853 C C . ASP A 1 129 ? 36.393 -12.316 4.882 1.00 14.49 ? 129 ASP A C 1 ATOM 1854 O O . ASP A 1 129 ? 37.269 -11.538 4.587 1.00 16.03 ? 129 ASP A O 1 ATOM 1855 C CB . ASP A 1 129 ? 34.784 -11.422 3.261 1.00 11.08 ? 129 ASP A CB 1 ATOM 1856 C CG . ASP A 1 129 ? 34.946 -12.459 2.191 1.00 13.04 ? 129 ASP A CG 1 ATOM 1857 O OD1 . ASP A 1 129 ? 35.461 -13.557 2.498 1.00 13.61 ? 129 ASP A OD1 1 ATOM 1858 O OD2 . ASP A 1 129 ? 34.606 -12.162 1.032 1.00 13.63 ? 129 ASP A OD2 1 ATOM 1859 H H . ASP A 1 129 ? 35.118 -10.068 5.528 1.00 10.88 ? 129 ASP A H 1 ATOM 1860 H HA . ASP A 1 129 ? 34.368 -12.746 4.733 1.00 10.42 ? 129 ASP A HA 1 ATOM 1861 H HB2 . ASP A 1 129 ? 33.891 -11.054 3.174 1.00 11.20 ? 129 ASP A HB2 1 ATOM 1862 H HB3 . ASP A 1 129 ? 35.435 -10.722 3.105 1.00 11.20 ? 129 ASP A HB3 1 ATOM 1863 N N . PRO A 1 130 ? 36.659 -13.527 5.372 1.00 15.19 ? 130 PRO A N 1 ATOM 1864 C CA . PRO A 1 130 ? 38.040 -13.956 5.607 1.00 17.44 ? 130 PRO A CA 1 ATOM 1865 C C . PRO A 1 130 ? 38.855 -13.979 4.317 1.00 18.64 ? 130 PRO A C 1 ATOM 1866 O O . PRO A 1 130 ? 40.074 -13.987 4.390 1.00 24.54 ? 130 PRO A O 1 ATOM 1867 C CB . PRO A 1 130 ? 37.873 -15.344 6.209 1.00 20.42 ? 130 PRO A CB 1 ATOM 1868 C CG . PRO A 1 130 ? 36.492 -15.506 6.574 1.00 20.70 ? 130 PRO A CG 1 ATOM 1869 C CD . PRO A 1 130 ? 35.711 -14.555 5.766 1.00 15.31 ? 130 PRO A CD 1 ATOM 1870 H HA . PRO A 1 130 ? 38.475 -13.368 6.258 1.00 15.97 ? 130 PRO A HA 1 ATOM 1871 H HB2 . PRO A 1 130 ? 38.125 -16.015 5.555 1.00 17.18 ? 130 PRO A HB2 1 ATOM 1872 H HB3 . PRO A 1 130 ? 38.436 -15.418 6.996 1.00 17.18 ? 130 PRO A HB3 1 ATOM 1873 H HG2 . PRO A 1 130 ? 36.217 -16.417 6.390 1.00 10.40 ? 130 PRO A HG2 1 ATOM 1874 H HG3 . PRO A 1 130 ? 36.386 -15.309 7.518 1.00 10.41 ? 130 PRO A HG3 1 ATOM 1875 H HD2 . PRO A 1 130 ? 35.351 -14.993 4.980 1.00 10.41 ? 130 PRO A HD2 1 ATOM 1876 H HD3 . PRO A 1 130 ? 35.005 -14.176 6.312 1.00 10.41 ? 130 PRO A HD3 1 ATOM 1877 N N . ASN A 1 131 ? 38.208 -14.022 3.161 1.00 18.18 ? 131 ASN A N 1 ATOM 1878 C CA . ASN A 1 131 ? 38.878 -13.994 1.876 1.00 20.58 ? 131 ASN A CA 1 ATOM 1879 C C . ASN A 1 131 ? 38.370 -12.851 1.028 1.00 15.26 ? 131 ASN A C 1 ATOM 1880 O O . ASN A 1 131 ? 38.172 -12.971 -0.156 1.00 21.48 ? 131 ASN A O 1 ATOM 1881 C CB . ASN A 1 131 ? 38.576 -15.288 1.133 1.00 27.74 ? 131 ASN A CB 1 ATOM 1882 C CG A ASN A 1 131 ? 39.382 -16.456 1.602 0.70 26.01 ? 131 ASN A CG 1 ATOM 1883 C CG B ASN A 1 131 ? 39.605 -15.601 0.052 0.30 24.72 ? 131 ASN A CG 1 ATOM 1884 O OD1 A ASN A 1 131 ? 39.143 -17.573 1.148 0.70 46.80 ? 131 ASN A OD1 1 ATOM 1885 O OD1 B ASN A 1 131 ? 40.813 -15.508 0.276 0.30 88.02 ? 131 ASN A OD1 1 ATOM 1886 N ND2 A ASN A 1 131 ? 40.314 -16.236 2.521 0.70 65.43 ? 131 ASN A ND2 1 ATOM 1887 N ND2 B ASN A 1 131 ? 39.128 -15.987 -1.121 0.30 73.85 ? 131 ASN A ND2 1 ATOM 1888 H H . ASN A 1 131 ? 37.206 -14.097 3.071 1.00 19.73 ? 131 ASN A H 1 ATOM 1889 H HA . ASN A 1 131 ? 39.839 -13.873 2.004 1.00 42.94 ? 131 ASN A HA 1 ATOM 1890 N N . ASP A 1 132 ? 38.245 -11.682 1.650 1.00 13.67 ? 132 ASP A N 1 ATOM 1891 C CA . ASP A 1 132 ? 37.658 -10.545 0.992 1.00 11.17 ? 132 ASP A CA 1 ATOM 1892 C C . ASP A 1 132 ? 38.454 -10.269 -0.254 1.00 10.69 ? 132 ASP A C 1 ATOM 1893 O O . ASP A 1 132 ? 39.670 -10.028 -0.159 1.00 10.65 ? 132 ASP A O 1 ATOM 1894 C CB . ASP A 1 132 ? 37.682 -9.377 1.939 1.00 10.45 ? 132 ASP A CB 1 ATOM 1895 C CG . ASP A 1 132 ? 36.727 -8.283 1.520 1.00 9.67 ? 132 ASP A CG 1 ATOM 1896 O OD1 . ASP A 1 132 ? 36.790 -7.874 0.362 1.00 10.18 ? 132 ASP A OD1 1 ATOM 1897 O OD2 . ASP A 1 132 ? 35.948 -7.890 2.416 1.00 10.36 ? 132 ASP A OD2 1 ATOM 1898 H H . ASP A 1 132 ? 38.553 -11.511 2.597 1.00 11.23 ? 132 ASP A H 1 ATOM 1899 H HA . ASP A 1 132 ? 36.731 -10.744 0.758 1.00 12.94 ? 132 ASP A HA 1 ATOM 1900 H HB2 . ASP A 1 132 ? 37.423 -9.671 2.825 1.00 11.23 ? 132 ASP A HB2 1 ATOM 1901 H HB3 . ASP A 1 132 ? 38.575 -9.001 1.968 1.00 11.23 ? 132 ASP A HB3 1 ATOM 1902 N N . PRO A 1 133 ? 37.846 -10.156 -1.432 1.00 11.80 ? 133 PRO A N 1 ATOM 1903 C CA . PRO A 1 133 ? 38.591 -9.822 -2.620 1.00 12.10 ? 133 PRO A CA 1 ATOM 1904 C C . PRO A 1 133 ? 39.206 -8.467 -2.573 1.00 11.48 ? 133 PRO A C 1 ATOM 1905 O O . PRO A 1 133 ? 40.131 -8.196 -3.337 1.00 14.02 ? 133 PRO A O 1 ATOM 1906 C CB . PRO A 1 133 ? 37.573 -9.977 -3.756 1.00 14.58 ? 133 PRO A CB 1 ATOM 1907 C CG . PRO A 1 133 ? 36.314 -9.804 -3.175 1.00 18.33 ? 133 PRO A CG 1 ATOM 1908 C CD . PRO A 1 133 ? 36.431 -10.394 -1.759 1.00 13.85 ? 133 PRO A CD 1 ATOM 1909 H HA . PRO A 1 133 ? 39.304 -10.480 -2.755 1.00 12.29 ? 133 PRO A HA 1 ATOM 1910 H HB2 . PRO A 1 133 ? 37.729 -9.301 -4.434 1.00 13.89 ? 133 PRO A HB2 1 ATOM 1911 H HB3 . PRO A 1 133 ? 37.649 -10.865 -4.139 1.00 13.89 ? 133 PRO A HB3 1 ATOM 1912 H HG2 . PRO A 1 133 ? 36.101 -8.859 -3.135 1.00 14.80 ? 133 PRO A HG2 1 ATOM 1913 H HG3 . PRO A 1 133 ? 35.648 -10.284 -3.691 1.00 14.80 ? 133 PRO A HG3 1 ATOM 1914 H HD2 . PRO A 1 133 ? 35.849 -9.914 -1.149 1.00 12.94 ? 133 PRO A HD2 1 ATOM 1915 H HD3 . PRO A 1 133 ? 36.237 -11.345 -1.768 1.00 12.94 ? 133 PRO A HD3 1 ATOM 1916 N N . ASN A 1 134 ? 38.730 -7.588 -1.684 1.00 10.31 ? 134 ASN A N 1 ATOM 1917 C CA . ASN A 1 134 ? 39.291 -6.285 -1.522 1.00 10.15 ? 134 ASN A CA 1 ATOM 1918 C C . ASN A 1 134 ? 40.337 -6.179 -0.412 1.00 10.02 ? 134 ASN A C 1 ATOM 1919 O O . ASN A 1 134 ? 40.814 -5.107 -0.124 1.00 10.08 ? 134 ASN A O 1 ATOM 1920 C CB . ASN A 1 134 ? 38.191 -5.292 -1.209 1.00 10.39 ? 134 ASN A CB 1 ATOM 1921 C CG . ASN A 1 134 ? 37.334 -5.002 -2.399 1.00 10.75 ? 134 ASN A CG 1 ATOM 1922 O OD1 . ASN A 1 134 ? 36.067 -4.840 -2.238 1.00 13.08 ? 134 ASN A OD1 1 ATOM 1923 N ND2 . ASN A 1 134 ? 37.887 -4.862 -3.514 1.00 11.11 ? 134 ASN A ND2 1 ATOM 1924 H H . ASN A 1 134 ? 37.942 -7.759 -1.077 1.00 10.74 ? 134 ASN A H 1 ATOM 1925 H HA . ASN A 1 134 ? 39.731 -6.009 -2.351 1.00 17.86 ? 134 ASN A HA 1 ATOM 1926 H HB2 . ASN A 1 134 ? 37.625 -5.637 -0.502 1.00 10.74 ? 134 ASN A HB2 1 ATOM 1927 H HB3 . ASN A 1 134 ? 38.582 -4.450 -0.930 1.00 10.74 ? 134 ASN A HB3 1 ATOM 1928 H HD21 . ASN A 1 134 ? 37.434 -5.171 -4.324 1.00 17.80 ? 134 ASN A HD21 1 ATOM 1929 H HD22 . ASN A 1 134 ? 38.765 -4.442 -3.584 1.00 17.86 ? 134 ASN A HD22 1 ATOM 1930 N N . ALA A 1 135 ? 40.680 -7.316 0.199 1.00 10.17 ? 135 ALA A N 1 ATOM 1931 C CA . ALA A 1 135 ? 41.515 -7.283 1.401 1.00 11.50 ? 135 ALA A CA 1 ATOM 1932 C C . ALA A 1 135 ? 42.847 -6.580 1.189 1.00 10.21 ? 135 ALA A C 1 ATOM 1933 O O . ALA A 1 135 ? 43.367 -5.959 2.105 1.00 11.93 ? 135 ALA A O 1 ATOM 1934 C CB . ALA A 1 135 ? 41.796 -8.695 1.885 1.00 12.74 ? 135 ALA A CB 1 ATOM 1935 H H . ALA A 1 135 ? 40.421 -8.244 -0.096 1.00 11.26 ? 135 ALA A H 1 ATOM 1936 H HA . ALA A 1 135 ? 41.033 -6.810 2.111 1.00 11.60 ? 135 ALA A HA 1 ATOM 1937 H HB1 . ALA A 1 135 ? 40.962 -9.139 2.053 1.00 11.26 ? 135 ALA A HB1 1 ATOM 1938 H HB2 . ALA A 1 135 ? 42.312 -8.652 2.694 1.00 11.26 ? 135 ALA A HB2 1 ATOM 1939 H HB3 . ALA A 1 135 ? 42.287 -9.166 1.208 1.00 11.26 ? 135 ALA A HB3 1 ATOM 1940 N N . SER A 1 136 ? 43.395 -6.708 -0.010 1.00 9.99 ? 136 SER A N 1 ATOM 1941 C CA . SER A 1 136 ? 44.716 -6.153 -0.252 1.00 10.12 ? 136 SER A CA 1 ATOM 1942 C C . SER A 1 136 ? 44.697 -4.671 -0.484 1.00 10.23 ? 136 SER A C 1 ATOM 1943 O O . SER A 1 136 ? 45.748 -4.066 -0.662 1.00 11.92 ? 136 SER A O 1 ATOM 1944 C CB . SER A 1 136 ? 45.320 -6.837 -1.448 1.00 13.94 ? 136 SER A CB 1 ATOM 1945 O OG A SER A 1 136 ? 44.606 -6.505 -2.646 0.70 17.26 ? 136 SER A OG 1 ATOM 1946 O OG B SER A 1 136 ? 45.479 -8.200 -1.131 0.30 16.47 ? 136 SER A OG 1 ATOM 1947 H H . SER A 1 136 ? 42.972 -7.173 -0.801 1.00 10.37 ? 136 SER A H 1 ATOM 1948 H HA . SER A 1 136 ? 45.297 -6.329 0.516 1.00 10.71 ? 136 SER A HA 1 ATOM 1949 N N . LEU A 1 137 ? 43.527 -4.035 -0.440 1.00 9.81 ? 137 LEU A N 1 ATOM 1950 C CA . LEU A 1 137 ? 43.427 -2.609 -0.622 1.00 10.02 ? 137 LEU A CA 1 ATOM 1951 C C . LEU A 1 137 ? 43.608 -1.802 0.649 1.00 9.70 ? 137 LEU A C 1 ATOM 1952 O O . LEU A 1 137 ? 43.663 -0.593 0.607 1.00 12.00 ? 137 LEU A O 1 ATOM 1953 C CB . LEU A 1 137 ? 42.115 -2.254 -1.277 1.00 10.09 ? 137 LEU A CB 1 ATOM 1954 C CG . LEU A 1 137 ? 41.917 -2.900 -2.652 1.00 10.82 ? 137 LEU A CG 1 ATOM 1955 C CD1 . LEU A 1 137 ? 40.527 -2.488 -3.174 1.00 11.85 ? 137 LEU A CD1 1 ATOM 1956 C CD2 . LEU A 1 137 ? 43.004 -2.531 -3.637 1.00 13.11 ? 137 LEU A CD2 1 ATOM 1957 H H . LEU A 1 137 ? 42.633 -4.475 -0.290 1.00 18.85 ? 137 LEU A H 1 ATOM 1958 H HA . LEU A 1 137 ? 44.135 -2.319 -1.234 1.00 24.15 ? 137 LEU A HA 1 ATOM 1959 H HB2 . LEU A 1 137 ? 41.388 -2.542 -0.704 1.00 18.86 ? 137 LEU A HB2 1 ATOM 1960 H HB3 . LEU A 1 137 ? 42.075 -1.293 -1.399 1.00 18.85 ? 137 LEU A HB3 1 ATOM 1961 H HG . LEU A 1 137 ? 41.920 -3.865 -2.553 1.00 11.29 ? 137 LEU A HG 1 ATOM 1962 H HD11 . LEU A 1 137 ? 39.862 -2.759 -2.537 1.00 19.24 ? 137 LEU A HD11 1 ATOM 1963 H HD12 . LEU A 1 137 ? 40.372 -2.914 -4.020 1.00 19.28 ? 137 LEU A HD12 1 ATOM 1964 H HD13 . LEU A 1 137 ? 40.506 -1.534 -3.281 1.00 19.26 ? 137 LEU A HD13 1 ATOM 1965 H HD21 . LEU A 1 137 ? 43.211 -1.599 -3.537 1.00 24.20 ? 137 LEU A HD21 1 ATOM 1966 H HD22 . LEU A 1 137 ? 42.692 -2.703 -4.529 1.00 24.11 ? 137 LEU A HD22 1 ATOM 1967 H HD23 . LEU A 1 137 ? 43.784 -3.062 -3.457 1.00 24.15 ? 137 LEU A HD23 1 ATOM 1968 N N . TYR A 1 138 ? 43.619 -2.470 1.808 1.00 9.66 ? 138 TYR A N 1 ATOM 1969 C CA . TYR A 1 138 ? 43.682 -1.769 3.049 1.00 9.83 ? 138 TYR A CA 1 ATOM 1970 C C . TYR A 1 138 ? 44.365 -2.617 4.089 1.00 9.81 ? 138 TYR A C 1 ATOM 1971 O O . TYR A 1 138 ? 44.572 -3.801 3.944 1.00 11.24 ? 138 TYR A O 1 ATOM 1972 C CB . TYR A 1 138 ? 42.294 -1.312 3.511 1.00 10.42 ? 138 TYR A CB 1 ATOM 1973 C CG . TYR A 1 138 ? 41.314 -2.446 3.550 1.00 9.76 ? 138 TYR A CG 1 ATOM 1974 C CD1 . TYR A 1 138 ? 41.237 -3.318 4.615 1.00 10.51 ? 138 TYR A CD1 1 ATOM 1975 C CD2 . TYR A 1 138 ? 40.472 -2.655 2.474 1.00 10.46 ? 138 TYR A CD2 1 ATOM 1976 C CE1 . TYR A 1 138 ? 40.386 -4.397 4.590 1.00 10.13 ? 138 TYR A CE1 1 ATOM 1977 C CE2 . TYR A 1 138 ? 39.605 -3.724 2.455 1.00 10.12 ? 138 TYR A CE2 1 ATOM 1978 C CZ . TYR A 1 138 ? 39.579 -4.575 3.500 1.00 9.90 ? 138 TYR A CZ 1 ATOM 1979 O OH . TYR A 1 138 ? 38.710 -5.650 3.452 1.00 11.72 ? 138 TYR A OH 1 ATOM 1980 H H . TYR A 1 138 ? 43.578 -3.475 1.903 1.00 9.91 ? 138 TYR A H 1 ATOM 1981 H HA . TYR A 1 138 ? 44.230 -0.967 2.934 1.00 12.38 ? 138 TYR A HA 1 ATOM 1982 H HB2 . TYR A 1 138 ? 42.359 -0.940 4.405 1.00 12.37 ? 138 TYR A HB2 1 ATOM 1983 H HB3 . TYR A 1 138 ? 41.960 -0.640 2.897 1.00 12.37 ? 138 TYR A HB3 1 ATOM 1984 H HD1 . TYR A 1 138 ? 41.812 -3.208 5.338 1.00 10.61 ? 138 TYR A HD1 1 ATOM 1985 H HD2 . TYR A 1 138 ? 40.514 -2.085 1.740 1.00 12.37 ? 138 TYR A HD2 1 ATOM 1986 H HE1 . TYR A 1 138 ? 40.348 -4.988 5.308 1.00 10.61 ? 138 TYR A HE1 1 ATOM 1987 H HE2 . TYR A 1 138 ? 39.053 -3.867 1.720 1.00 12.37 ? 138 TYR A HE2 1 ATOM 1988 N N . ASP A 1 139 ? 44.750 -1.920 5.155 1.00 10.38 ? 139 ASP A N 1 ATOM 1989 C CA . ASP A 1 139 ? 45.470 -2.482 6.250 1.00 11.09 ? 139 ASP A CA 1 ATOM 1990 C C . ASP A 1 139 ? 44.638 -2.714 7.476 1.00 11.68 ? 139 ASP A C 1 ATOM 1991 O O . ASP A 1 139 ? 44.942 -3.593 8.261 1.00 17.09 ? 139 ASP A O 1 ATOM 1992 C CB . ASP A 1 139 ? 46.656 -1.558 6.634 1.00 11.79 ? 139 ASP A CB 1 ATOM 1993 C CG . ASP A 1 139 ? 47.489 -1.229 5.491 1.00 11.84 ? 139 ASP A CG 1 ATOM 1994 O OD1 . ASP A 1 139 ? 48.010 -2.165 4.860 1.00 14.78 ? 139 ASP A OD1 1 ATOM 1995 O OD2 . ASP A 1 139 ? 47.681 -0.042 5.175 1.00 12.37 ? 139 ASP A OD2 1 ATOM 1996 H H . ASP A 1 139 ? 44.573 -0.934 5.266 1.00 12.37 ? 139 ASP A H 1 ATOM 1997 H HA . ASP A 1 139 ? 45.850 -3.346 5.986 1.00 11.13 ? 139 ASP A HA 1 ATOM 1998 H HB2 . ASP A 1 139 ? 46.308 -0.732 7.005 1.00 11.77 ? 139 ASP A HB2 1 ATOM 1999 H HB3 . ASP A 1 139 ? 47.211 -2.010 7.289 1.00 11.77 ? 139 ASP A HB3 1 ATOM 2000 N N . VAL A 1 140 ? 43.620 -1.894 7.709 1.00 10.39 ? 140 VAL A N 1 ATOM 2001 C CA . VAL A 1 140 ? 42.868 -1.891 8.950 1.00 10.36 ? 140 VAL A CA 1 ATOM 2002 C C . VAL A 1 140 ? 41.376 -1.957 8.608 1.00 9.55 ? 140 VAL A C 1 ATOM 2003 O O . VAL A 1 140 ? 40.912 -1.178 7.789 1.00 9.93 ? 140 VAL A O 1 ATOM 2004 C CB . VAL A 1 140 ? 43.134 -0.624 9.768 1.00 11.05 ? 140 VAL A CB 1 ATOM 2005 C CG1 . VAL A 1 140 ? 42.405 -0.643 11.088 1.00 12.45 ? 140 VAL A CG1 1 ATOM 2006 C CG2 . VAL A 1 140 ? 44.628 -0.435 10.031 1.00 14.80 ? 140 VAL A CG2 1 ATOM 2007 H H . VAL A 1 140 ? 43.285 -1.206 7.052 1.00 12.37 ? 140 VAL A H 1 ATOM 2008 H HA . VAL A 1 140 ? 43.105 -2.668 9.497 1.00 13.14 ? 140 VAL A HA 1 ATOM 2009 H HB . VAL A 1 140 ? 42.818 0.149 9.258 1.00 11.28 ? 140 VAL A HB 1 ATOM 2010 H HG11 . VAL A 1 140 ? 41.485 -0.410 10.942 1.00 13.14 ? 140 VAL A HG11 1 ATOM 2011 H HG12 . VAL A 1 140 ? 42.806 -0.007 11.684 1.00 13.14 ? 140 VAL A HG12 1 ATOM 2012 H HG13 . VAL A 1 140 ? 42.462 -1.524 11.465 1.00 13.14 ? 140 VAL A HG13 1 ATOM 2013 H HG21 . VAL A 1 140 ? 44.968 -1.216 10.475 1.00 13.14 ? 140 VAL A HG21 1 ATOM 2014 H HG22 . VAL A 1 140 ? 44.756 0.338 10.586 1.00 13.14 ? 140 VAL A HG22 1 ATOM 2015 H HG23 . VAL A 1 140 ? 45.083 -0.310 9.195 1.00 13.14 ? 140 VAL A HG23 1 ATOM 2016 N N . ASP A 1 141 ? 40.681 -2.820 9.292 1.00 10.00 ? 141 ASP A N 1 ATOM 2017 C CA . ASP A 1 141 ? 39.248 -2.976 9.121 1.00 9.59 ? 141 ASP A CA 1 ATOM 2018 C C . ASP A 1 141 ? 38.715 -3.574 10.392 1.00 10.07 ? 141 ASP A C 1 ATOM 2019 O O . ASP A 1 141 ? 38.893 -4.778 10.619 1.00 12.45 ? 141 ASP A O 1 ATOM 2020 C CB . ASP A 1 141 ? 38.949 -3.893 7.939 1.00 9.42 ? 141 ASP A CB 1 ATOM 2021 C CG . ASP A 1 141 ? 37.482 -4.176 7.763 1.00 9.42 ? 141 ASP A CG 1 ATOM 2022 O OD1 . ASP A 1 141 ? 36.660 -3.327 8.149 1.00 9.84 ? 141 ASP A OD1 1 ATOM 2023 O OD2 . ASP A 1 141 ? 37.178 -5.216 7.154 1.00 11.26 ? 141 ASP A OD2 1 ATOM 2024 H H . ASP A 1 141 ? 41.078 -3.441 9.983 1.00 13.14 ? 141 ASP A H 1 ATOM 2025 H HA . ASP A 1 141 ? 38.824 -2.106 8.971 1.00 9.85 ? 141 ASP A HA 1 ATOM 2026 H HB2 . ASP A 1 141 ? 39.268 -3.468 7.127 1.00 9.64 ? 141 ASP A HB2 1 ATOM 2027 H HB3 . ASP A 1 141 ? 39.406 -4.739 8.067 1.00 9.64 ? 141 ASP A HB3 1 ATOM 2028 N N . ASP A 1 142 ? 38.144 -2.767 11.252 1.00 9.70 ? 142 ASP A N 1 ATOM 2029 C CA . ASP A 1 142 ? 37.725 -3.262 12.535 1.00 10.69 ? 142 ASP A CA 1 ATOM 2030 C C . ASP A 1 142 ? 36.668 -2.328 13.113 1.00 9.96 ? 142 ASP A C 1 ATOM 2031 O O . ASP A 1 142 ? 36.126 -1.481 12.390 1.00 9.82 ? 142 ASP A O 1 ATOM 2032 C CB . ASP A 1 142 ? 38.901 -3.508 13.470 1.00 13.44 ? 142 ASP A CB 1 ATOM 2033 C CG . ASP A 1 142 ? 39.640 -2.279 13.760 1.00 13.87 ? 142 ASP A CG 1 ATOM 2034 O OD1 . ASP A 1 142 ? 39.080 -1.161 13.735 1.00 14.82 ? 142 ASP A OD1 1 ATOM 2035 O OD2 . ASP A 1 142 ? 40.865 -2.424 14.013 1.00 21.60 ? 142 ASP A OD2 1 ATOM 2036 H H . ASP A 1 142 ? 37.965 -1.786 11.093 1.00 9.85 ? 142 ASP A H 1 ATOM 2037 H HA . ASP A 1 142 ? 37.281 -4.126 12.406 1.00 10.80 ? 142 ASP A HA 1 ATOM 2038 H HB2 . ASP A 1 142 ? 38.585 -3.876 14.307 1.00 25.85 ? 142 ASP A HB2 1 ATOM 2039 H HB3 . ASP A 1 142 ? 39.514 -4.133 13.055 1.00 25.84 ? 142 ASP A HB3 1 ATOM 2040 N N . ASP A 1 143 ? 36.319 -2.450 14.369 1.00 10.64 ? 143 ASP A N 1 ATOM 2041 C CA . ASP A 1 143 ? 35.243 -1.632 14.873 1.00 11.38 ? 143 ASP A CA 1 ATOM 2042 C C . ASP A 1 143 ? 35.598 -0.172 14.811 1.00 11.86 ? 143 ASP A C 1 ATOM 2043 O O . ASP A 1 143 ? 34.666 0.650 14.774 1.00 14.42 ? 143 ASP A O 1 ATOM 2044 C CB . ASP A 1 143 ? 34.880 -2.064 16.289 1.00 12.89 ? 143 ASP A CB 1 ATOM 2045 C CG . ASP A 1 143 ? 33.385 -1.967 16.563 1.00 11.67 ? 143 ASP A CG 1 ATOM 2046 O OD1 . ASP A 1 143 ? 32.588 -2.240 15.664 1.00 11.94 ? 143 ASP A OD1 1 ATOM 2047 O OD2 . ASP A 1 143 ? 33.036 -1.663 17.708 1.00 16.78 ? 143 ASP A OD2 1 ATOM 2048 H H . ASP A 1 143 ? 36.739 -3.076 15.040 1.00 25.84 ? 143 ASP A H 1 ATOM 2049 H HA . ASP A 1 143 ? 34.460 -1.767 14.300 1.00 11.47 ? 143 ASP A HA 1 ATOM 2050 H HB2 . ASP A 1 143 ? 35.131 -2.990 16.424 1.00 25.85 ? 143 ASP A HB2 1 ATOM 2051 H HB3 . ASP A 1 143 ? 35.342 -1.500 16.928 1.00 25.84 ? 143 ASP A HB3 1 ATOM 2052 N N . THR A 1 144 ? 36.882 0.172 14.809 1.00 11.22 ? 144 THR A N 1 ATOM 2053 C CA . THR A 1 144 ? 37.298 1.549 14.745 1.00 11.95 ? 144 THR A CA 1 ATOM 2054 C C . THR A 1 144 ? 37.216 2.177 13.387 1.00 11.70 ? 144 THR A C 1 ATOM 2055 O O . THR A 1 144 ? 37.448 3.378 13.248 1.00 15.57 ? 144 THR A O 1 ATOM 2056 C CB . THR A 1 144 ? 38.737 1.712 15.265 1.00 15.66 ? 144 THR A CB 1 ATOM 2057 O OG1 . THR A 1 144 ? 39.697 1.224 14.308 1.00 17.40 ? 144 THR A OG1 1 ATOM 2058 C CG2 . THR A 1 144 ? 38.941 1.024 16.597 1.00 18.80 ? 144 THR A CG2 1 ATOM 2059 H H . THR A 1 144 ? 37.650 -0.481 14.852 1.00 16.64 ? 144 THR A H 1 ATOM 2060 H HA . THR A 1 144 ? 36.723 2.075 15.340 1.00 12.47 ? 144 THR A HA 1 ATOM 2061 H HB . THR A 1 144 ? 38.903 2.658 15.404 1.00 14.82 ? 144 THR A HB 1 ATOM 2062 H HG21 . THR A 1 144 ? 38.116 1.001 17.089 1.00 16.64 ? 144 THR A HG21 1 ATOM 2063 H HG22 . THR A 1 144 ? 39.596 1.500 17.113 1.00 16.64 ? 144 THR A HG22 1 ATOM 2064 H HG23 . THR A 1 144 ? 39.248 0.125 16.461 1.00 16.64 ? 144 THR A HG23 1 ATOM 2065 N N . THR A 1 145 ? 36.861 1.388 12.382 1.00 9.30 ? 145 THR A N 1 ATOM 2066 C CA . THR A 1 145 ? 36.756 1.897 11.041 1.00 9.07 ? 145 THR A CA 1 ATOM 2067 C C . THR A 1 145 ? 35.304 1.957 10.564 1.00 8.35 ? 145 THR A C 1 ATOM 2068 O O . THR A 1 145 ? 35.069 2.264 9.418 1.00 9.59 ? 145 THR A O 1 ATOM 2069 C CB . THR A 1 145 ? 37.616 1.132 10.041 1.00 9.45 ? 145 THR A CB 1 ATOM 2070 O OG1 . THR A 1 145 ? 37.129 -0.192 9.871 1.00 9.61 ? 145 THR A OG1 1 ATOM 2071 C CG2 . THR A 1 145 ? 39.061 1.086 10.489 1.00 11.00 ? 145 THR A CG2 1 ATOM 2072 H H . THR A 1 145 ? 36.654 0.404 12.449 1.00 10.89 ? 145 THR A H 1 ATOM 2073 H HA . THR A 1 145 ? 37.086 2.818 11.025 1.00 10.93 ? 145 THR A HA 1 ATOM 2074 H HB . THR A 1 145 ? 37.591 1.594 9.191 1.00 9.61 ? 145 THR A HB 1 ATOM 2075 H HG21 . THR A 1 145 ? 39.338 1.953 10.794 1.00 11.15 ? 145 THR A HG21 1 ATOM 2076 H HG22 . THR A 1 145 ? 39.622 0.819 9.757 1.00 11.15 ? 145 THR A HG22 1 ATOM 2077 H HG23 . THR A 1 145 ? 39.162 0.456 11.206 1.00 11.15 ? 145 THR A HG23 1 ATOM 2078 N N . ILE A 1 146 ? 34.353 1.738 11.444 1.00 8.41 ? 146 ILE A N 1 ATOM 2079 C CA . ILE A 1 146 ? 32.948 1.909 11.143 1.00 8.40 ? 146 ILE A CA 1 ATOM 2080 C C . ILE A 1 146 ? 32.556 3.344 11.433 1.00 8.47 ? 146 ILE A C 1 ATOM 2081 O O . ILE A 1 146 ? 32.898 3.878 12.483 1.00 11.04 ? 146 ILE A O 1 ATOM 2082 C CB . ILE A 1 146 ? 32.101 0.925 11.927 1.00 8.89 ? 146 ILE A CB 1 ATOM 2083 C CG1 . ILE A 1 146 ? 32.495 -0.506 11.598 1.00 9.98 ? 146 ILE A CG1 1 ATOM 2084 C CG2 . ILE A 1 146 ? 30.632 1.185 11.679 1.00 10.78 ? 146 ILE A CG2 1 ATOM 2085 C CD1 . ILE A 1 146 ? 31.876 -1.558 12.481 1.00 10.98 ? 146 ILE A CD1 1 ATOM 2086 H H . ILE A 1 146 ? 34.516 1.440 12.394 1.00 10.89 ? 146 ILE A H 1 ATOM 2087 H HA . ILE A 1 146 ? 32.796 1.728 10.193 1.00 11.06 ? 146 ILE A HA 1 ATOM 2088 H HB . ILE A 1 146 ? 32.271 1.072 12.870 1.00 10.89 ? 146 ILE A HB 1 ATOM 2089 H HG12 . ILE A 1 146 ? 32.227 -0.697 10.685 1.00 10.71 ? 146 ILE A HG12 1 ATOM 2090 H HG13 . ILE A 1 146 ? 33.457 -0.596 11.679 1.00 10.71 ? 146 ILE A HG13 1 ATOM 2091 H HG21 . ILE A 1 146 ? 30.334 1.884 12.265 1.00 11.06 ? 146 ILE A HG21 1 ATOM 2092 H HG22 . ILE A 1 146 ? 30.132 0.385 11.856 1.00 11.06 ? 146 ILE A HG22 1 ATOM 2093 H HG23 . ILE A 1 146 ? 30.506 1.447 10.764 1.00 11.06 ? 146 ILE A HG23 1 ATOM 2094 H HD11 . ILE A 1 146 ? 31.696 -1.178 13.344 1.00 10.89 ? 146 ILE A HD11 1 ATOM 2095 H HD12 . ILE A 1 146 ? 32.489 -2.292 12.568 1.00 10.89 ? 146 ILE A HD12 1 ATOM 2096 H HD13 . ILE A 1 146 ? 31.059 -1.861 12.079 1.00 10.89 ? 146 ILE A HD13 1 ATOM 2097 N N . ILE A 1 147 ? 31.918 3.985 10.480 1.00 7.74 ? 147 ILE A N 1 ATOM 2098 C CA . ILE A 1 147 ? 31.443 5.345 10.625 1.00 7.83 ? 147 ILE A CA 1 ATOM 2099 C C . ILE A 1 147 ? 29.938 5.318 10.444 1.00 7.46 ? 147 ILE A C 1 ATOM 2100 O O . ILE A 1 147 ? 29.469 5.003 9.373 1.00 9.30 ? 147 ILE A O 1 ATOM 2101 C CB . ILE A 1 147 ? 32.063 6.289 9.599 1.00 8.83 ? 147 ILE A CB 1 ATOM 2102 C CG1 . ILE A 1 147 ? 33.581 6.200 9.633 1.00 10.78 ? 147 ILE A CG1 1 ATOM 2103 C CG2 . ILE A 1 147 ? 31.549 7.710 9.808 1.00 9.77 ? 147 ILE A CG2 1 ATOM 2104 C CD1 . ILE A 1 147 ? 34.245 7.059 8.536 1.00 12.76 ? 147 ILE A CD1 1 ATOM 2105 H H . ILE A 1 147 ? 31.708 3.587 9.576 1.00 11.06 ? 147 ILE A H 1 ATOM 2106 H HA . ILE A 1 147 ? 31.656 5.690 11.512 1.00 7.62 ? 147 ILE A HA 1 ATOM 2107 H HB . ILE A 1 147 ? 31.778 6.001 8.717 1.00 9.03 ? 147 ILE A HB 1 ATOM 2108 H HG12 . ILE A 1 147 ? 33.896 6.494 10.499 1.00 10.93 ? 147 ILE A HG12 1 ATOM 2109 H HG13 . ILE A 1 147 ? 33.837 5.279 9.483 1.00 10.93 ? 147 ILE A HG13 1 ATOM 2110 H HG21 . ILE A 1 147 ? 30.859 7.720 10.474 1.00 10.93 ? 147 ILE A HG21 1 ATOM 2111 H HG22 . ILE A 1 147 ? 31.201 8.037 8.976 1.00 10.93 ? 147 ILE A HG22 1 ATOM 2112 H HG23 . ILE A 1 147 ? 32.275 8.269 10.097 1.00 10.93 ? 147 ILE A HG23 1 ATOM 2113 H HD11 . ILE A 1 147 ? 34.612 6.479 7.868 1.00 10.93 ? 147 ILE A HD11 1 ATOM 2114 H HD12 . ILE A 1 147 ? 34.941 7.591 8.923 1.00 10.93 ? 147 ILE A HD12 1 ATOM 2115 H HD13 . ILE A 1 147 ? 33.589 7.631 8.133 1.00 10.93 ? 147 ILE A HD13 1 ATOM 2116 N N . THR A 1 148 ? 29.216 5.647 11.493 1.00 6.91 ? 148 THR A N 1 ATOM 2117 C CA . THR A 1 148 ? 27.785 5.765 11.377 1.00 6.78 ? 148 THR A CA 1 ATOM 2118 C C . THR A 1 148 ? 27.365 7.220 11.273 1.00 6.74 ? 148 THR A C 1 ATOM 2119 O O . THR A 1 148 ? 27.920 8.095 11.938 1.00 7.43 ? 148 THR A O 1 ATOM 2120 C CB . THR A 1 148 ? 27.042 5.121 12.567 1.00 7.49 ? 148 THR A CB 1 ATOM 2121 O OG1 . THR A 1 148 ? 27.445 5.727 13.765 1.00 7.82 ? 148 THR A OG1 1 ATOM 2122 C CG2 . THR A 1 148 ? 27.235 3.627 12.612 1.00 8.30 ? 148 THR A CG2 1 ATOM 2123 H H . THR A 1 148 ? 29.579 5.833 12.417 1.00 7.62 ? 148 THR A H 1 ATOM 2124 H HA . THR A 1 148 ? 27.486 5.297 10.574 1.00 6.89 ? 148 THR A HA 1 ATOM 2125 H HB . THR A 1 148 ? 26.092 5.281 12.453 1.00 8.32 ? 148 THR A HB 1 ATOM 2126 H HG21 . THR A 1 148 ? 26.850 3.223 11.831 1.00 8.70 ? 148 THR A HG21 1 ATOM 2127 H HG22 . THR A 1 148 ? 26.809 3.265 13.392 1.00 8.70 ? 148 THR A HG22 1 ATOM 2128 H HG23 . THR A 1 148 ? 28.171 3.417 12.643 1.00 8.70 ? 148 THR A HG23 1 ATOM 2129 N N . LEU A 1 149 ? 26.379 7.439 10.439 1.00 6.60 ? 149 LEU A N 1 ATOM 2130 C CA . LEU A 1 149 ? 25.748 8.746 10.262 1.00 6.79 ? 149 LEU A CA 1 ATOM 2131 C C . LEU A 1 149 ? 24.328 8.637 10.720 1.00 6.75 ? 149 LEU A C 1 ATOM 2132 O O . LEU A 1 149 ? 23.596 7.778 10.219 1.00 7.23 ? 149 LEU A O 1 ATOM 2133 C CB . LEU A 1 149 ? 25.763 9.218 8.825 1.00 7.08 ? 149 LEU A CB 1 ATOM 2134 C CG . LEU A 1 149 ? 27.139 9.229 8.155 1.00 7.25 ? 149 LEU A CG 1 ATOM 2135 C CD1 . LEU A 1 149 ? 26.981 9.754 6.765 1.00 8.33 ? 149 LEU A CD1 1 ATOM 2136 C CD2 . LEU A 1 149 ? 28.152 10.041 8.912 1.00 8.00 ? 149 LEU A CD2 1 ATOM 2137 H H . LEU A 1 149 ? 25.971 6.727 9.849 1.00 6.89 ? 149 LEU A H 1 ATOM 2138 H HA . LEU A 1 149 ? 26.202 9.420 10.809 1.00 8.41 ? 149 LEU A HA 1 ATOM 2139 H HB2 . LEU A 1 149 ? 25.192 8.636 8.299 1.00 9.07 ? 149 LEU A HB2 1 ATOM 2140 H HB3 . LEU A 1 149 ? 25.418 10.124 8.796 1.00 9.07 ? 149 LEU A HB3 1 ATOM 2141 H HG . LEU A 1 149 ? 27.469 8.319 8.096 1.00 7.56 ? 149 LEU A HG 1 ATOM 2142 H HD11 . LEU A 1 149 ? 26.336 9.217 6.299 1.00 9.09 ? 149 LEU A HD11 1 ATOM 2143 H HD12 . LEU A 1 149 ? 27.828 9.709 6.315 1.00 9.09 ? 149 LEU A HD12 1 ATOM 2144 H HD13 . LEU A 1 149 ? 26.680 10.665 6.808 1.00 9.09 ? 149 LEU A HD13 1 ATOM 2145 H HD21 . LEU A 1 149 ? 27.758 10.882 9.154 1.00 9.00 ? 149 LEU A HD21 1 ATOM 2146 H HD22 . LEU A 1 149 ? 28.919 10.187 8.354 1.00 9.00 ? 149 LEU A HD22 1 ATOM 2147 H HD23 . LEU A 1 149 ? 28.411 9.561 9.702 1.00 9.00 ? 149 LEU A HD23 1 ATOM 2148 N N . ALA A 1 150 ? 23.926 9.473 11.654 1.00 6.80 ? 150 ALA A N 1 ATOM 2149 C CA . ALA A 1 150 ? 22.611 9.413 12.228 1.00 7.00 ? 150 ALA A CA 1 ATOM 2150 C C . ALA A 1 150 ? 22.018 10.781 12.382 1.00 7.30 ? 150 ALA A C 1 ATOM 2151 O O . ALA A 1 150 ? 22.681 11.731 12.780 1.00 8.34 ? 150 ALA A O 1 ATOM 2152 C CB . ALA A 1 150 ? 22.671 8.772 13.602 1.00 7.91 ? 150 ALA A CB 1 ATOM 2153 H H . ALA A 1 150 ? 24.498 10.212 12.037 1.00 8.41 ? 150 ALA A H 1 ATOM 2154 H HA . ALA A 1 150 ? 22.018 8.874 11.664 1.00 7.28 ? 150 ALA A HA 1 ATOM 2155 H HB1 . ALA A 1 150 ? 23.111 7.922 13.530 1.00 8.59 ? 150 ALA A HB1 1 ATOM 2156 H HB2 . ALA A 1 150 ? 21.777 8.652 13.930 1.00 8.60 ? 150 ALA A HB2 1 ATOM 2157 H HB3 . ALA A 1 150 ? 23.164 9.344 14.194 1.00 8.60 ? 150 ALA A HB3 1 ATOM 2158 N N . ASP A 1 151 ? 20.726 10.852 12.135 1.00 7.04 ? 151 ASP A N 1 ATOM 2159 C CA . ASP A 1 151 ? 19.905 11.966 12.523 1.00 7.18 ? 151 ASP A CA 1 ATOM 2160 C C . ASP A 1 151 ? 19.433 11.750 13.937 1.00 7.29 ? 151 ASP A C 1 ATOM 2161 O O . ASP A 1 151 ? 19.097 10.641 14.332 1.00 8.97 ? 151 ASP A O 1 ATOM 2162 C CB . ASP A 1 151 ? 18.730 12.108 11.559 1.00 7.93 ? 151 ASP A CB 1 ATOM 2163 C CG . ASP A 1 151 ? 17.917 10.855 11.309 1.00 7.74 ? 151 ASP A CG 1 ATOM 2164 O OD1 . ASP A 1 151 ? 18.415 9.746 11.527 1.00 7.95 ? 151 ASP A OD1 1 ATOM 2165 O OD2 . ASP A 1 151 ? 16.779 11.005 10.833 1.00 8.63 ? 151 ASP A OD2 1 ATOM 2166 H H . ASP A 1 151 ? 20.221 10.122 11.656 1.00 7.28 ? 151 ASP A H 1 ATOM 2167 H HA . ASP A 1 151 ? 20.427 12.794 12.486 1.00 23.07 ? 151 ASP A HA 1 ATOM 2168 H HB2 . ASP A 1 151 ? 18.125 12.780 11.911 1.00 11.71 ? 151 ASP A HB2 1 ATOM 2169 H HB3 . ASP A 1 151 ? 19.074 12.404 10.702 1.00 11.71 ? 151 ASP A HB3 1 ATOM 2170 N N . TRP A 1 152 ? 19.319 12.826 14.668 1.00 7.97 ? 152 TRP A N 1 ATOM 2171 C CA . TRP A 1 152 ? 18.942 12.748 16.064 1.00 8.19 ? 152 TRP A CA 1 ATOM 2172 C C . TRP A 1 152 ? 17.921 13.839 16.328 1.00 8.53 ? 152 TRP A C 1 ATOM 2173 O O . TRP A 1 152 ? 18.117 14.979 15.877 1.00 9.51 ? 152 TRP A O 1 ATOM 2174 C CB . TRP A 1 152 ? 20.161 12.872 16.979 1.00 8.79 ? 152 TRP A CB 1 ATOM 2175 C CG . TRP A 1 152 ? 19.857 12.526 18.364 1.00 8.89 ? 152 TRP A CG 1 ATOM 2176 C CD1 . TRP A 1 152 ? 19.748 13.369 19.381 1.00 9.74 ? 152 TRP A CD1 1 ATOM 2177 C CD2 . TRP A 1 152 ? 19.452 11.245 18.848 1.00 9.28 ? 152 TRP A CD2 1 ATOM 2178 N NE1 . TRP A 1 152 ? 19.335 12.719 20.507 1.00 10.54 ? 152 TRP A NE1 1 ATOM 2179 C CE2 . TRP A 1 152 ? 19.105 11.412 20.185 1.00 10.31 ? 152 TRP A CE2 1 ATOM 2180 C CE3 . TRP A 1 152 ? 19.312 9.991 18.262 1.00 10.54 ? 152 TRP A CE3 1 ATOM 2181 C CZ2 . TRP A 1 152 ? 18.616 10.357 20.955 1.00 12.05 ? 152 TRP A CZ2 1 ATOM 2182 C CZ3 . TRP A 1 152 ? 18.825 8.965 19.035 1.00 12.04 ? 152 TRP A CZ3 1 ATOM 2183 C CH2 . TRP A 1 152 ? 18.478 9.141 20.340 1.00 13.25 ? 152 TRP A CH2 1 ATOM 2184 H H . TRP A 1 152 ? 19.480 13.766 14.334 1.00 23.07 ? 152 TRP A H 1 ATOM 2185 H HA . TRP A 1 152 ? 18.513 11.886 16.245 1.00 8.58 ? 152 TRP A HA 1 ATOM 2186 H HB2 . TRP A 1 152 ? 20.849 12.269 16.662 1.00 9.31 ? 152 TRP A HB2 1 ATOM 2187 H HB3 . TRP A 1 152 ? 20.483 13.786 16.958 1.00 9.31 ? 152 TRP A HB3 1 ATOM 2188 H HD1 . TRP A 1 152 ? 19.970 14.272 19.345 1.00 11.42 ? 152 TRP A HD1 1 ATOM 2189 H HE1 . TRP A 1 152 ? 19.201 13.079 21.276 1.00 11.42 ? 152 TRP A HE1 1 ATOM 2190 H HE3 . TRP A 1 152 ? 19.462 9.871 17.352 1.00 11.42 ? 152 TRP A HE3 1 ATOM 2191 H HZ2 . TRP A 1 152 ? 18.446 10.461 21.863 1.00 11.42 ? 152 TRP A HZ2 1 ATOM 2192 H HZ3 . TRP A 1 152 ? 18.725 8.123 18.653 1.00 11.42 ? 152 TRP A HZ3 1 ATOM 2193 H HH2 . TRP A 1 152 ? 18.230 8.402 20.847 1.00 11.42 ? 152 TRP A HH2 1 ATOM 2194 N N . TYR A 1 153 ? 16.900 13.497 17.080 1.00 8.49 ? 153 TYR A N 1 ATOM 2195 C CA . TYR A 1 153 ? 15.771 14.370 17.318 1.00 9.23 ? 153 TYR A CA 1 ATOM 2196 C C . TYR A 1 153 ? 15.656 14.641 18.794 1.00 9.58 ? 153 TYR A C 1 ATOM 2197 O O . TYR A 1 153 ? 15.775 13.723 19.596 1.00 10.19 ? 153 TYR A O 1 ATOM 2198 C CB . TYR A 1 153 ? 14.481 13.662 16.827 1.00 9.78 ? 153 TYR A CB 1 ATOM 2199 C CG . TYR A 1 153 ? 14.533 13.320 15.378 1.00 9.32 ? 153 TYR A CG 1 ATOM 2200 C CD1 . TYR A 1 153 ? 13.966 14.145 14.434 1.00 9.76 ? 153 TYR A CD1 1 ATOM 2201 C CD2 . TYR A 1 153 ? 15.242 12.213 14.917 1.00 9.37 ? 153 TYR A CD2 1 ATOM 2202 C CE1 . TYR A 1 153 ? 14.015 13.860 13.086 1.00 10.08 ? 153 TYR A CE1 1 ATOM 2203 C CE2 . TYR A 1 153 ? 15.327 11.941 13.590 1.00 9.91 ? 153 TYR A CE2 1 ATOM 2204 C CZ . TYR A 1 153 ? 14.738 12.776 12.653 1.00 9.94 ? 153 TYR A CZ 1 ATOM 2205 O OH . TYR A 1 153 ? 14.805 12.518 11.304 1.00 10.61 ? 153 TYR A OH 1 ATOM 2206 H H . TYR A 1 153 ? 16.819 12.607 17.552 1.00 8.58 ? 153 TYR A H 1 ATOM 2207 H HA . TYR A 1 153 ? 15.870 15.218 16.838 1.00 11.54 ? 153 TYR A HA 1 ATOM 2208 H HB2 . TYR A 1 153 ? 14.365 12.838 17.326 1.00 9.98 ? 153 TYR A HB2 1 ATOM 2209 H HB3 . TYR A 1 153 ? 13.722 14.248 16.975 1.00 9.98 ? 153 TYR A HB3 1 ATOM 2210 H HD1 . TYR A 1 153 ? 13.486 14.890 14.717 1.00 9.98 ? 153 TYR A HD1 1 ATOM 2211 H HD2 . TYR A 1 153 ? 15.670 11.659 15.524 1.00 9.90 ? 153 TYR A HD2 1 ATOM 2212 H HE1 . TYR A 1 153 ? 13.618 14.434 12.471 1.00 9.98 ? 153 TYR A HE1 1 ATOM 2213 H HE2 . TYR A 1 153 ? 15.807 11.201 13.302 1.00 9.90 ? 153 TYR A HE2 1 ATOM 2214 N N . HIS A 1 154 ? 15.314 15.850 19.154 1.00 10.04 ? 154 HIS A N 1 ATOM 2215 C CA . HIS A 1 154 ? 15.069 16.150 20.566 1.00 10.56 ? 154 HIS A CA 1 ATOM 2216 C C . HIS A 1 154 ? 13.655 15.805 20.955 1.00 12.40 ? 154 HIS A C 1 ATOM 2217 O O . HIS A 1 154 ? 13.420 15.557 22.103 1.00 17.79 ? 154 HIS A O 1 ATOM 2218 C CB . HIS A 1 154 ? 15.316 17.603 20.835 1.00 11.72 ? 154 HIS A CB 1 ATOM 2219 C CG . HIS A 1 154 ? 16.759 17.920 20.736 1.00 11.25 ? 154 HIS A CG 1 ATOM 2220 N ND1 . HIS A 1 154 ? 17.263 19.193 20.826 1.00 13.66 ? 154 HIS A ND1 1 ATOM 2221 C CD2 . HIS A 1 154 ? 17.830 17.112 20.549 1.00 11.25 ? 154 HIS A CD2 1 ATOM 2222 C CE1 . HIS A 1 154 ? 18.568 19.162 20.693 1.00 14.29 ? 154 HIS A CE1 1 ATOM 2223 N NE2 . HIS A 1 154 ? 18.938 17.909 20.522 1.00 13.70 ? 154 HIS A NE2 1 ATOM 2224 H H . HIS A 1 154 ? 15.189 16.627 18.523 1.00 11.54 ? 154 HIS A H 1 ATOM 2225 H HA . HIS A 1 154 ? 15.669 15.626 21.136 1.00 12.55 ? 154 HIS A HA 1 ATOM 2226 H HB2 . HIS A 1 154 ? 14.837 18.142 20.186 1.00 11.54 ? 154 HIS A HB2 1 ATOM 2227 H HB3 . HIS A 1 154 ? 15.022 17.820 21.733 1.00 11.54 ? 154 HIS A HB3 1 ATOM 2228 H HD1 . HIS A 1 154 ? 16.794 19.904 20.945 1.00 12.55 ? 154 HIS A HD1 1 ATOM 2229 H HD2 . HIS A 1 154 ? 17.819 16.188 20.446 1.00 12.55 ? 154 HIS A HD2 1 ATOM 2230 H HE1 . HIS A 1 154 ? 19.135 19.898 20.720 1.00 12.55 ? 154 HIS A HE1 1 ATOM 2231 H HE2 . HIS A 1 154 ? 19.744 17.637 20.417 1.00 12.55 ? 154 HIS A HE2 1 ATOM 2232 N N . THR A 1 155 ? 12.753 15.763 20.010 1.00 11.62 ? 155 THR A N 1 ATOM 2233 C CA . THR A 1 155 ? 11.383 15.312 20.212 1.00 11.89 ? 155 THR A CA 1 ATOM 2234 C C . THR A 1 155 ? 11.309 13.834 19.971 1.00 10.98 ? 155 THR A C 1 ATOM 2235 O O . THR A 1 155 ? 11.924 13.308 19.068 1.00 12.47 ? 155 THR A O 1 ATOM 2236 C CB . THR A 1 155 ? 10.453 16.017 19.227 1.00 14.09 ? 155 THR A CB 1 ATOM 2237 O OG1 . THR A 1 155 ? 10.544 17.414 19.475 1.00 18.30 ? 155 THR A OG1 1 ATOM 2238 C CG2 . THR A 1 155 ? 9.017 15.549 19.341 1.00 15.69 ? 155 THR A CG2 1 ATOM 2239 H H . THR A 1 155 ? 12.931 16.048 19.058 1.00 11.54 ? 155 THR A H 1 ATOM 2240 H HA . THR A 1 155 ? 11.086 15.513 21.124 1.00 13.84 ? 155 THR A HA 1 ATOM 2241 H HB . THR A 1 155 ? 10.753 15.836 18.322 1.00 11.54 ? 155 THR A HB 1 ATOM 2242 H HG21 . THR A 1 155 ? 8.871 14.790 18.771 1.00 15.99 ? 155 THR A HG21 1 ATOM 2243 H HG22 . THR A 1 155 ? 8.422 16.254 19.075 1.00 15.99 ? 155 THR A HG22 1 ATOM 2244 H HG23 . THR A 1 155 ? 8.820 15.302 20.248 1.00 15.99 ? 155 THR A HG23 1 ATOM 2245 N N . LEU A 1 156 ? 10.562 13.132 20.816 1.00 11.55 ? 156 LEU A N 1 ATOM 2246 C CA . LEU A 1 156 ? 10.428 11.685 20.685 1.00 10.97 ? 156 LEU A CA 1 ATOM 2247 C C . LEU A 1 156 ? 9.622 11.365 19.440 1.00 10.58 ? 156 LEU A C 1 ATOM 2248 O O . LEU A 1 156 ? 8.690 12.092 19.071 1.00 12.10 ? 156 LEU A O 1 ATOM 2249 C CB . LEU A 1 156 ? 9.759 11.145 21.911 1.00 12.36 ? 156 LEU A CB 1 ATOM 2250 C CG . LEU A 1 156 ? 10.714 10.682 23.014 1.00 13.85 ? 156 LEU A CG 1 ATOM 2251 C CD1 . LEU A 1 156 ? 11.766 11.697 23.395 1.00 14.91 ? 156 LEU A CD1 1 ATOM 2252 C CD2 . LEU A 1 156 ? 9.916 10.222 24.196 1.00 14.92 ? 156 LEU A CD2 1 ATOM 2253 H H . LEU A 1 156 ? 10.049 13.540 21.584 1.00 13.84 ? 156 LEU A H 1 ATOM 2254 H HA . LEU A 1 156 ? 11.314 11.274 20.603 1.00 13.16 ? 156 LEU A HA 1 ATOM 2255 H HB2 . LEU A 1 156 ? 9.181 11.824 22.292 1.00 13.84 ? 156 LEU A HB2 1 ATOM 2256 H HB3 . LEU A 1 156 ? 9.221 10.381 21.663 1.00 13.84 ? 156 LEU A HB3 1 ATOM 2257 H HG . LEU A 1 156 ? 11.189 9.905 22.682 1.00 13.35 ? 156 LEU A HG 1 ATOM 2258 H HD11 . LEU A 1 156 ? 12.335 11.866 22.643 1.00 13.23 ? 156 LEU A HD11 1 ATOM 2259 H HD12 . LEU A 1 156 ? 12.284 11.348 24.124 1.00 13.23 ? 156 LEU A HD12 1 ATOM 2260 H HD13 . LEU A 1 156 ? 11.331 12.509 23.664 1.00 13.23 ? 156 LEU A HD13 1 ATOM 2261 H HD21 . LEU A 1 156 ? 9.399 10.959 24.529 1.00 13.31 ? 156 LEU A HD21 1 ATOM 2262 H HD22 . LEU A 1 156 ? 10.517 9.910 24.876 1.00 13.31 ? 156 LEU A HD22 1 ATOM 2263 H HD23 . LEU A 1 156 ? 9.333 9.511 23.921 1.00 13.31 ? 156 LEU A HD23 1 ATOM 2264 N N . ALA A 1 157 ? 9.953 10.255 18.805 1.00 10.31 ? 157 ALA A N 1 ATOM 2265 C CA . ALA A 1 157 ? 9.364 9.932 17.541 1.00 10.56 ? 157 ALA A CA 1 ATOM 2266 C C . ALA A 1 157 ? 7.858 9.825 17.581 1.00 11.00 ? 157 ALA A C 1 ATOM 2267 O O . ALA A 1 157 ? 7.166 10.273 16.656 1.00 14.09 ? 157 ALA A O 1 ATOM 2268 C CB . ALA A 1 157 ? 9.943 8.610 17.038 1.00 11.23 ? 157 ALA A CB 1 ATOM 2269 H H . ALA A 1 157 ? 10.618 9.580 19.149 1.00 13.09 ? 157 ALA A H 1 ATOM 2270 H HA . ALA A 1 157 ? 9.592 10.628 16.892 1.00 11.13 ? 157 ALA A HA 1 ATOM 2271 H HB1 . ALA A 1 157 ? 10.900 8.683 16.997 1.00 13.02 ? 157 ALA A HB1 1 ATOM 2272 H HB2 . ALA A 1 157 ? 9.593 8.431 16.163 1.00 13.02 ? 157 ALA A HB2 1 ATOM 2273 H HB3 . ALA A 1 157 ? 9.692 7.909 17.643 1.00 13.02 ? 157 ALA A HB3 1 ATOM 2274 N N . GLN A 1 158 ? 7.312 9.292 18.653 1.00 10.88 ? 158 GLN A N 1 ATOM 2275 C CA . GLN A 1 158 ? 5.863 9.149 18.769 1.00 12.85 ? 158 GLN A CA 1 ATOM 2276 C C . GLN A 1 158 ? 5.173 10.459 19.114 1.00 15.11 ? 158 GLN A C 1 ATOM 2277 O O . GLN A 1 158 ? 3.953 10.500 19.120 1.00 19.31 ? 158 GLN A O 1 ATOM 2278 C CB . GLN A 1 158 ? 5.507 8.163 19.877 1.00 12.84 ? 158 GLN A CB 1 ATOM 2279 C CG . GLN A 1 158 ? 6.023 6.743 19.676 1.00 13.13 ? 158 GLN A CG 1 ATOM 2280 C CD . GLN A 1 158 ? 5.580 6.068 18.423 1.00 14.50 ? 158 GLN A CD 1 ATOM 2281 O OE1 . GLN A 1 158 ? 4.425 6.119 18.102 1.00 19.57 ? 158 GLN A OE1 1 ATOM 2282 N NE2 . GLN A 1 158 ? 6.489 5.406 17.746 1.00 15.02 ? 158 GLN A NE2 1 ATOM 2283 H H . GLN A 1 158 ? 7.829 8.954 19.452 1.00 12.43 ? 158 GLN A H 1 ATOM 2284 H HA . GLN A 1 158 ? 5.490 8.818 17.926 1.00 12.86 ? 158 GLN A HA 1 ATOM 2285 H HB2 . GLN A 1 158 ? 5.874 8.491 20.713 1.00 12.44 ? 158 GLN A HB2 1 ATOM 2286 H HB3 . GLN A 1 158 ? 4.541 8.107 19.948 1.00 12.44 ? 158 GLN A HB3 1 ATOM 2287 H HG2 . GLN A 1 158 ? 6.991 6.766 19.675 1.00 12.42 ? 158 GLN A HG2 1 ATOM 2288 H HG3 . GLN A 1 158 ? 5.716 6.200 20.419 1.00 12.42 ? 158 GLN A HG3 1 ATOM 2289 H HE21 . GLN A 1 158 ? 6.324 5.159 16.938 1.00 12.42 ? 158 GLN A HE21 1 ATOM 2290 H HE22 . GLN A 1 158 ? 7.248 5.216 18.103 1.00 12.42 ? 158 GLN A HE22 1 ATOM 2291 N N . GLN A 1 159 ? 5.946 11.494 19.422 1.00 15.09 ? 159 GLN A N 1 ATOM 2292 C CA . GLN A 1 159 ? 5.466 12.774 19.912 1.00 16.24 ? 159 GLN A CA 1 ATOM 2293 C C . GLN A 1 159 ? 5.717 13.887 18.934 1.00 16.55 ? 159 GLN A C 1 ATOM 2294 O O . GLN A 1 159 ? 5.464 15.063 19.271 1.00 20.64 ? 159 GLN A O 1 ATOM 2295 C CB . GLN A 1 159 ? 6.095 13.109 21.249 1.00 17.58 ? 159 GLN A CB 1 ATOM 2296 C CG . GLN A 1 159 ? 5.847 12.010 22.272 1.00 22.03 ? 159 GLN A CG 1 ATOM 2297 C CD . GLN A 1 159 ? 6.290 12.338 23.684 1.00 19.91 ? 159 GLN A CD 1 ATOM 2298 O OE1 . GLN A 1 159 ? 7.096 13.225 23.910 1.00 26.06 ? 159 GLN A OE1 1 ATOM 2299 N NE2 . GLN A 1 159 ? 5.791 11.599 24.620 1.00 26.63 ? 159 GLN A NE2 1 ATOM 2300 H H . GLN A 1 159 ? 6.949 11.487 19.356 1.00 20.67 ? 159 GLN A H 1 ATOM 2301 H HA . GLN A 1 159 ? 4.497 12.726 20.053 1.00 16.39 ? 159 GLN A HA 1 ATOM 2302 H HB2 . GLN A 1 159 ? 7.054 13.209 21.136 1.00 17.09 ? 159 GLN A HB2 1 ATOM 2303 H HB3 . GLN A 1 159 ? 5.709 13.930 21.592 1.00 17.09 ? 159 GLN A HB3 1 ATOM 2304 H HG2 . GLN A 1 159 ? 4.895 11.823 22.299 1.00 23.37 ? 159 GLN A HG2 1 ATOM 2305 H HG3 . GLN A 1 159 ? 6.328 11.214 21.998 1.00 23.37 ? 159 GLN A HG3 1 ATOM 2306 H HE21 . GLN A 1 159 ? 5.851 11.847 25.442 1.00 23.39 ? 159 GLN A HE21 1 ATOM 2307 H HE22 . GLN A 1 159 ? 5.398 10.859 24.425 1.00 23.39 ? 159 GLN A HE22 1 ATOM 2308 N N . GLU A 1 160 ? 6.119 13.569 17.691 1.00 17.23 ? 160 GLU A N 1 ATOM 2309 C CA . GLU A 1 160 ? 6.250 14.593 16.679 1.00 21.31 ? 160 GLU A CA 1 ATOM 2310 C C . GLU A 1 160 ? 4.861 15.076 16.369 1.00 24.14 ? 160 GLU A C 1 ATOM 2311 O O . GLU A 1 160 ? 4.012 14.276 16.008 1.00 30.30 ? 160 GLU A O 1 ATOM 2312 C CB . GLU A 1 160 ? 6.918 14.033 15.433 1.00 21.53 ? 160 GLU A CB 1 ATOM 2313 C CG . GLU A 1 160 ? 8.381 13.671 15.658 1.00 21.67 ? 160 GLU A CG 1 ATOM 2314 C CD . GLU A 1 160 ? 9.310 14.873 15.679 1.00 24.49 ? 160 GLU A CD 1 ATOM 2315 O OE1 . GLU A 1 160 ? 8.784 16.023 15.667 1.00 25.38 ? 160 GLU A OE1 1 ATOM 2316 O OE2 . GLU A 1 160 ? 10.550 14.673 15.737 1.00 21.27 ? 160 GLU A OE2 1 ATOM 2317 H H . GLU A 1 160 ? 6.346 12.638 17.375 1.00 20.67 ? 160 GLU A H 1 ATOM 2318 H HA . GLU A 1 160 ? 6.799 15.322 17.025 1.00 24.60 ? 160 GLU A HA 1 ATOM 2319 H HB2 . GLU A 1 160 ? 6.451 13.227 15.160 1.00 20.67 ? 160 GLU A HB2 1 ATOM 2320 H HB3 . GLU A 1 160 ? 6.870 14.691 14.722 1.00 20.67 ? 160 GLU A HB3 1 ATOM 2321 H HG2 . GLU A 1 160 ? 8.470 13.214 16.508 1.00 20.67 ? 160 GLU A HG2 1 ATOM 2322 H HG3 . GLU A 1 160 ? 8.671 13.087 14.940 1.00 20.67 ? 160 GLU A HG3 1 ATOM 2323 N N . PRO A 1 161 ? 4.601 16.382 16.542 1.00 23.42 ? 161 PRO A N 1 ATOM 2324 C CA . PRO A 1 161 ? 3.212 16.852 16.395 1.00 30.34 ? 161 PRO A CA 1 ATOM 2325 C C . PRO A 1 161 ? 2.635 16.654 15.007 1.00 34.98 ? 161 PRO A C 1 ATOM 2326 O O . PRO A 1 161 ? 3.311 16.909 14.017 1.00 35.29 ? 161 PRO A O 1 ATOM 2327 C CB . PRO A 1 161 ? 3.303 18.356 16.695 1.00 35.59 ? 161 PRO A CB 1 ATOM 2328 C CG . PRO A 1 161 ? 4.554 18.515 17.480 1.00 34.74 ? 161 PRO A CG 1 ATOM 2329 C CD . PRO A 1 161 ? 5.488 17.437 17.047 1.00 24.44 ? 161 PRO A CD 1 ATOM 2330 H HA . PRO A 1 161 ? 2.633 16.422 17.058 1.00 40.98 ? 161 PRO A HA 1 ATOM 2331 H HB2 . PRO A 1 161 ? 3.354 18.862 15.869 1.00 27.32 ? 161 PRO A HB2 1 ATOM 2332 H HB3 . PRO A 1 161 ? 2.534 18.631 17.218 1.00 27.32 ? 161 PRO A HB3 1 ATOM 2333 H HG2 . PRO A 1 161 ? 4.938 19.387 17.297 1.00 27.02 ? 161 PRO A HG2 1 ATOM 2334 H HG3 . PRO A 1 161 ? 4.353 18.427 18.425 1.00 27.02 ? 161 PRO A HG3 1 ATOM 2335 H HD2 . PRO A 1 161 ? 6.067 17.759 16.338 1.00 24.60 ? 161 PRO A HD2 1 ATOM 2336 H HD3 . PRO A 1 161 ? 5.999 17.131 17.811 1.00 24.60 ? 161 PRO A HD3 1 ATOM 2337 N N . ILE A 1 162 ? 1.384 16.210 14.936 1.00 43.07 ? 162 ILE A N 1 ATOM 2338 C CA . ILE A 1 162 ? 0.644 16.112 13.663 1.00 50.83 ? 162 ILE A CA 1 ATOM 2339 C C . ILE A 1 162 ? 0.675 17.458 12.919 1.00 46.58 ? 162 ILE A C 1 ATOM 2340 O O . ILE A 1 162 ? 0.426 18.512 13.518 1.00 47.13 ? 162 ILE A O 1 ATOM 2341 C CB . ILE A 1 162 ? -0.814 15.639 13.925 1.00 55.05 ? 162 ILE A CB 1 ATOM 2342 C CG1 . ILE A 1 162 ? -0.827 14.136 14.247 1.00 58.14 ? 162 ILE A CG1 1 ATOM 2343 C CG2 . ILE A 1 162 ? -1.722 15.946 12.744 1.00 50.93 ? 162 ILE A CG2 1 ATOM 2344 C CD1 . ILE A 1 162 ? -1.634 13.775 15.480 1.00 60.40 ? 162 ILE A CD1 1 ATOM 2345 N N . GLY A 1 163 ? 1.041 17.434 11.635 1.00 46.78 ? 163 GLY A N 1 ATOM 2346 C CA . GLY A 1 163 ? 1.089 18.655 10.825 1.00 49.47 ? 163 GLY A CA 1 ATOM 2347 C C . GLY A 1 163 ? 2.316 19.559 10.940 1.00 52.74 ? 163 GLY A C 1 ATOM 2348 O O . GLY A 1 163 ? 2.443 20.520 10.179 1.00 54.73 ? 163 GLY A O 1 ATOM 2349 H H . GLY A 1 163 ? 1.306 16.601 11.129 1.00 47.37 ? 163 GLY A H 1 ATOM 2350 N N . ALA A 1 164 ? 3.216 19.279 11.886 1.00 37.64 ? 164 ALA A N 1 ATOM 2351 C CA . ALA A 1 164 ? 4.488 20.004 11.972 1.00 37.41 ? 164 ALA A CA 1 ATOM 2352 C C . ALA A 1 164 ? 5.543 19.271 11.122 1.00 27.43 ? 164 ALA A C 1 ATOM 2353 O O . ALA A 1 164 ? 5.592 18.036 11.112 1.00 31.25 ? 164 ALA A O 1 ATOM 2354 C CB . ALA A 1 164 ? 4.967 20.115 13.424 1.00 40.87 ? 164 ALA A CB 1 ATOM 2355 H H . ALA A 1 164 ? 3.109 18.567 12.594 1.00 52.13 ? 164 ALA A H 1 ATOM 2356 N N . ALA A 1 165 ? 6.394 20.024 10.411 1.00 22.14 ? 165 ALA A N 1 ATOM 2357 C CA . ALA A 1 165 ? 7.474 19.432 9.643 1.00 16.60 ? 165 ALA A CA 1 ATOM 2358 C C . ALA A 1 165 ? 8.486 18.807 10.590 1.00 17.37 ? 165 ALA A C 1 ATOM 2359 O O . ALA A 1 165 ? 8.861 19.380 11.588 1.00 24.99 ? 165 ALA A O 1 ATOM 2360 C CB . ALA A 1 165 ? 8.167 20.456 8.768 1.00 19.27 ? 165 ALA A CB 1 ATOM 2361 H H . ALA A 1 165 ? 6.354 21.033 10.354 1.00 17.81 ? 165 ALA A H 1 ATOM 2362 H HA . ALA A 1 165 ? 7.115 18.722 9.085 1.00 20.18 ? 165 ALA A HA 1 ATOM 2363 H HB1 . ALA A 1 165 ? 7.506 20.958 8.284 1.00 17.81 ? 165 ALA A HB1 1 ATOM 2364 H HB2 . ALA A 1 165 ? 8.748 20.001 8.154 1.00 17.81 ? 165 ALA A HB2 1 ATOM 2365 H HB3 . ALA A 1 165 ? 8.680 21.048 9.324 1.00 17.81 ? 165 ALA A HB3 1 ATOM 2366 N N . ILE A 1 166 ? 8.902 17.600 10.240 1.00 15.00 ? 166 ILE A N 1 ATOM 2367 C CA . ILE A 1 166 ? 9.837 16.839 11.052 1.00 14.67 ? 166 ILE A CA 1 ATOM 2368 C C . ILE A 1 166 ? 11.223 17.106 10.492 1.00 15.58 ? 166 ILE A C 1 ATOM 2369 O O . ILE A 1 166 ? 11.508 16.806 9.324 1.00 17.55 ? 166 ILE A O 1 ATOM 2370 C CB . ILE A 1 166 ? 9.525 15.333 10.997 1.00 16.00 ? 166 ILE A CB 1 ATOM 2371 C CG1 . ILE A 1 166 ? 8.164 15.034 11.616 1.00 20.34 ? 166 ILE A CG1 1 ATOM 2372 C CG2 . ILE A 1 166 ? 10.629 14.525 11.685 1.00 19.86 ? 166 ILE A CG2 1 ATOM 2373 C CD1 . ILE A 1 166 ? 7.726 13.587 11.474 1.00 29.79 ? 166 ILE A CD1 1 ATOM 2374 H H . ILE A 1 166 ? 8.614 17.120 9.399 1.00 20.18 ? 166 ILE A H 1 ATOM 2375 H HA . ILE A 1 166 ? 9.799 17.127 11.988 1.00 21.19 ? 166 ILE A HA 1 ATOM 2376 H HB . ILE A 1 166 ? 9.497 15.065 10.065 1.00 20.18 ? 166 ILE A HB 1 ATOM 2377 H HG12 . ILE A 1 166 ? 8.200 15.240 12.563 1.00 18.23 ? 166 ILE A HG12 1 ATOM 2378 H HG13 . ILE A 1 166 ? 7.493 15.585 11.185 1.00 18.23 ? 166 ILE A HG13 1 ATOM 2379 H HG21 . ILE A 1 166 ? 11.340 14.370 11.058 1.00 20.18 ? 166 ILE A HG21 1 ATOM 2380 H HG22 . ILE A 1 166 ? 10.278 13.684 11.983 1.00 20.18 ? 166 ILE A HG22 1 ATOM 2381 H HG23 . ILE A 1 166 ? 10.959 15.020 12.438 1.00 20.18 ? 166 ILE A HG23 1 ATOM 2382 H HD11 . ILE A 1 166 ? 8.151 13.203 10.704 1.00 20.18 ? 166 ILE A HD11 1 ATOM 2383 H HD12 . ILE A 1 166 ? 6.773 13.559 11.370 1.00 20.18 ? 166 ILE A HD12 1 ATOM 2384 H HD13 . ILE A 1 166 ? 7.983 13.105 12.264 1.00 20.18 ? 166 ILE A HD13 1 ATOM 2385 N N . THR A 1 167 ? 12.097 17.612 11.341 1.00 15.56 ? 167 THR A N 1 ATOM 2386 C CA . THR A 1 167 ? 13.495 17.714 10.989 1.00 13.44 ? 167 THR A CA 1 ATOM 2387 C C . THR A 1 167 ? 14.261 17.372 12.216 1.00 11.72 ? 167 THR A C 1 ATOM 2388 O O . THR A 1 167 ? 13.828 17.516 13.353 1.00 12.32 ? 167 THR A O 1 ATOM 2389 C CB . THR A 1 167 ? 14.018 19.093 10.498 1.00 23.73 ? 167 THR A CB 1 ATOM 2390 O OG1 . THR A 1 167 ? 13.803 20.053 11.531 1.00 22.84 ? 167 THR A OG1 1 ATOM 2391 C CG2 . THR A 1 167 ? 13.363 19.548 9.169 1.00 26.52 ? 167 THR A CG2 1 ATOM 2392 H H . THR A 1 167 ? 11.870 17.960 12.262 1.00 21.19 ? 167 THR A H 1 ATOM 2393 H HA . THR A 1 167 ? 13.714 17.048 10.305 1.00 23.78 ? 167 THR A HA 1 ATOM 2394 N N . ALA A 1 168 ? 15.457 16.910 11.975 1.00 11.13 ? 168 ALA A N 1 ATOM 2395 C CA . ALA A 1 168 ? 16.326 16.512 13.065 1.00 10.65 ? 168 ALA A CA 1 ATOM 2396 C C . ALA A 1 168 ? 16.879 17.731 13.774 1.00 9.95 ? 168 ALA A C 1 ATOM 2397 O O . ALA A 1 168 ? 16.862 18.831 13.254 1.00 11.43 ? 168 ALA A O 1 ATOM 2398 C CB . ALA A 1 168 ? 17.452 15.630 12.543 1.00 12.11 ? 168 ALA A CB 1 ATOM 2399 H H . ALA A 1 168 ? 15.863 16.795 11.056 1.00 23.53 ? 168 ALA A H 1 ATOM 2400 H HA . ALA A 1 168 ? 15.819 15.988 13.717 1.00 11.41 ? 168 ALA A HA 1 ATOM 2401 H HB1 . ALA A 1 168 ? 17.084 14.978 11.941 1.00 23.07 ? 168 ALA A HB1 1 ATOM 2402 H HB2 . ALA A 1 168 ? 17.873 15.189 13.282 1.00 23.07 ? 168 ALA A HB2 1 ATOM 2403 H HB3 . ALA A 1 168 ? 18.091 16.178 12.082 1.00 23.07 ? 168 ALA A HB3 1 ATOM 2404 N N . ASP A 1 169 ? 17.420 17.470 14.940 1.00 9.84 ? 169 ASP A N 1 ATOM 2405 C CA . ASP A 1 169 ? 18.082 18.449 15.764 1.00 10.02 ? 169 ASP A CA 1 ATOM 2406 C C . ASP A 1 169 ? 19.562 18.349 15.809 1.00 9.57 ? 169 ASP A C 1 ATOM 2407 O O . ASP A 1 169 ? 20.212 19.277 16.275 1.00 10.79 ? 169 ASP A O 1 ATOM 2408 C CB . ASP A 1 169 ? 17.487 18.433 17.155 1.00 11.77 ? 169 ASP A CB 1 ATOM 2409 C CG . ASP A 1 169 ? 16.049 18.839 17.144 1.00 12.68 ? 169 ASP A CG 1 ATOM 2410 O OD1 . ASP A 1 169 ? 15.784 19.956 16.721 1.00 16.13 ? 169 ASP A OD1 1 ATOM 2411 O OD2 . ASP A 1 169 ? 15.181 18.030 17.490 1.00 13.57 ? 169 ASP A OD2 1 ATOM 2412 H H . ASP A 1 169 ? 17.405 16.553 15.362 1.00 11.41 ? 169 ASP A H 1 ATOM 2413 H HA . ASP A 1 169 ? 17.894 19.337 15.396 1.00 10.37 ? 169 ASP A HA 1 ATOM 2414 H HB2 . ASP A 1 169 ? 17.548 17.536 17.519 1.00 11.41 ? 169 ASP A HB2 1 ATOM 2415 H HB3 . ASP A 1 169 ? 17.970 19.056 17.720 1.00 11.41 ? 169 ASP A HB3 1 ATOM 2416 N N . ALA A 1 170 ? 20.119 17.252 15.336 1.00 9.18 ? 170 ALA A N 1 ATOM 2417 C CA . ALA A 1 170 ? 21.567 17.097 15.270 1.00 8.71 ? 170 ALA A CA 1 ATOM 2418 C C . ALA A 1 170 ? 21.855 16.012 14.288 1.00 8.35 ? 170 ALA A C 1 ATOM 2419 O O . ALA A 1 170 ? 21.100 15.081 14.099 1.00 9.70 ? 170 ALA A O 1 ATOM 2420 C CB . ALA A 1 170 ? 22.152 16.703 16.610 1.00 9.30 ? 170 ALA A CB 1 ATOM 2421 H H . ALA A 1 170 ? 19.611 16.448 14.997 1.00 11.41 ? 170 ALA A H 1 ATOM 2422 H HA . ALA A 1 170 ? 21.986 17.930 14.966 1.00 8.55 ? 170 ALA A HA 1 ATOM 2423 H HB1 . ALA A 1 170 ? 21.933 17.378 17.257 1.00 9.76 ? 170 ALA A HB1 1 ATOM 2424 H HB2 . ALA A 1 170 ? 23.106 16.629 16.525 1.00 9.76 ? 170 ALA A HB2 1 ATOM 2425 H HB3 . ALA A 1 170 ? 21.780 15.860 16.879 1.00 9.76 ? 170 ALA A HB3 1 ATOM 2426 N N . THR A 1 171 ? 23.053 16.115 13.697 1.00 8.12 ? 171 THR A N 1 ATOM 2427 C CA . THR A 1 171 ? 23.710 15.023 13.010 1.00 7.94 ? 171 THR A CA 1 ATOM 2428 C C . THR A 1 171 ? 24.735 14.406 13.959 1.00 7.62 ? 171 THR A C 1 ATOM 2429 O O . THR A 1 171 ? 25.541 15.120 14.529 1.00 8.63 ? 171 THR A O 1 ATOM 2430 C CB . THR A 1 171 ? 24.434 15.516 11.765 1.00 8.04 ? 171 THR A CB 1 ATOM 2431 O OG1 . THR A 1 171 ? 23.451 16.050 10.894 1.00 8.40 ? 171 THR A OG1 1 ATOM 2432 C CG2 . THR A 1 171 ? 25.205 14.421 11.069 1.00 8.58 ? 171 THR A CG2 1 ATOM 2433 H H . THR A 1 171 ? 23.595 16.967 13.686 1.00 8.55 ? 171 THR A H 1 ATOM 2434 H HA . THR A 1 171 ? 23.059 14.343 12.742 1.00 7.93 ? 171 THR A HA 1 ATOM 2435 H HB . THR A 1 171 ? 25.059 16.215 12.011 1.00 8.55 ? 171 THR A HB 1 ATOM 2436 H HG21 . THR A 1 171 ? 26.091 14.359 11.433 1.00 9.14 ? 171 THR A HG21 1 ATOM 2437 H HG22 . THR A 1 171 ? 25.269 14.613 10.130 1.00 9.14 ? 171 THR A HG22 1 ATOM 2438 H HG23 . THR A 1 171 ? 24.760 13.578 11.183 1.00 9.14 ? 171 THR A HG23 1 ATOM 2439 N N . LEU A 1 172 ? 24.680 13.093 14.102 1.00 7.37 ? 172 LEU A N 1 ATOM 2440 C CA . LEU A 1 172 ? 25.593 12.369 14.922 1.00 7.45 ? 172 LEU A CA 1 ATOM 2441 C C . LEU A 1 172 ? 26.450 11.500 14.045 1.00 7.04 ? 172 LEU A C 1 ATOM 2442 O O . LEU A 1 172 ? 25.953 10.733 13.225 1.00 7.95 ? 172 LEU A O 1 ATOM 2443 C CB . LEU A 1 172 ? 24.875 11.504 15.934 1.00 7.89 ? 172 LEU A CB 1 ATOM 2444 C CG . LEU A 1 172 ? 23.836 12.211 16.774 1.00 8.30 ? 172 LEU A CG 1 ATOM 2445 C CD1 . LEU A 1 172 ? 23.179 11.198 17.697 1.00 9.44 ? 172 LEU A CD1 1 ATOM 2446 C CD2 . LEU A 1 172 ? 24.420 13.356 17.550 1.00 9.20 ? 172 LEU A CD2 1 ATOM 2447 H H . LEU A 1 172 ? 23.999 12.502 13.648 1.00 7.93 ? 172 LEU A H 1 ATOM 2448 H HA . LEU A 1 172 ? 26.170 12.988 15.412 1.00 9.48 ? 172 LEU A HA 1 ATOM 2449 H HB2 . LEU A 1 172 ? 24.425 10.786 15.463 1.00 8.66 ? 172 LEU A HB2 1 ATOM 2450 H HB3 . LEU A 1 172 ? 25.534 11.132 16.539 1.00 8.66 ? 172 LEU A HB3 1 ATOM 2451 H HG . LEU A 1 172 ? 23.148 12.567 16.191 1.00 9.31 ? 172 LEU A HG 1 ATOM 2452 H HD11 . LEU A 1 172 ? 22.678 10.573 17.168 1.00 8.73 ? 172 LEU A HD11 1 ATOM 2453 H HD12 . LEU A 1 172 ? 22.593 11.658 18.302 1.00 8.73 ? 172 LEU A HD12 1 ATOM 2454 H HD13 . LEU A 1 172 ? 23.860 10.736 18.190 1.00 8.73 ? 172 LEU A HD13 1 ATOM 2455 H HD21 . LEU A 1 172 ? 25.228 13.063 17.978 1.00 8.77 ? 172 LEU A HD21 1 ATOM 2456 H HD22 . LEU A 1 172 ? 23.787 13.645 18.211 1.00 8.77 ? 172 LEU A HD22 1 ATOM 2457 H HD23 . LEU A 1 172 ? 24.612 14.078 16.948 1.00 8.77 ? 172 LEU A HD23 1 ATOM 2458 N N . ILE A 1 173 ? 27.748 11.602 14.227 1.00 7.35 ? 173 ILE A N 1 ATOM 2459 C CA . ILE A 1 173 ? 28.714 10.792 13.531 1.00 7.59 ? 173 ILE A CA 1 ATOM 2460 C C . ILE A 1 173 ? 29.367 9.920 14.592 1.00 7.73 ? 173 ILE A C 1 ATOM 2461 O O . ILE A 1 173 ? 29.859 10.452 15.581 1.00 8.18 ? 173 ILE A O 1 ATOM 2462 C CB . ILE A 1 173 ? 29.745 11.639 12.789 1.00 7.79 ? 173 ILE A CB 1 ATOM 2463 C CG1 . ILE A 1 173 ? 29.064 12.520 11.768 1.00 9.00 ? 173 ILE A CG1 1 ATOM 2464 C CG2 . ILE A 1 173 ? 30.795 10.730 12.185 1.00 8.81 ? 173 ILE A CG2 1 ATOM 2465 C CD1 . ILE A 1 173 ? 29.963 13.531 11.104 1.00 10.51 ? 173 ILE A CD1 1 ATOM 2466 H H . ILE A 1 173 ? 28.176 12.256 14.868 1.00 9.48 ? 173 ILE A H 1 ATOM 2467 H HA . ILE A 1 173 ? 28.268 10.221 12.877 1.00 9.99 ? 173 ILE A HA 1 ATOM 2468 H HB . ILE A 1 173 ? 30.181 12.214 13.437 1.00 10.09 ? 173 ILE A HB 1 ATOM 2469 H HG12 . ILE A 1 173 ? 28.695 11.955 11.071 1.00 8.98 ? 173 ILE A HG12 1 ATOM 2470 H HG13 . ILE A 1 173 ? 28.349 13.012 12.200 1.00 8.98 ? 173 ILE A HG13 1 ATOM 2471 H HG21 . ILE A 1 173 ? 31.458 10.533 12.850 1.00 9.99 ? 173 ILE A HG21 1 ATOM 2472 H HG22 . ILE A 1 173 ? 31.210 11.171 11.442 1.00 9.99 ? 173 ILE A HG22 1 ATOM 2473 H HG23 . ILE A 1 173 ? 30.379 9.918 11.886 1.00 9.99 ? 173 ILE A HG23 1 ATOM 2474 H HD11 . ILE A 1 173 ? 30.618 13.831 11.737 1.00 10.05 ? 173 ILE A HD11 1 ATOM 2475 H HD12 . ILE A 1 173 ? 29.431 14.273 10.808 1.00 10.05 ? 173 ILE A HD12 1 ATOM 2476 H HD13 . ILE A 1 173 ? 30.397 13.119 10.354 1.00 10.05 ? 173 ILE A HD13 1 ATOM 2477 N N . ASN A 1 174 ? 29.257 8.614 14.461 1.00 7.59 ? 174 ASN A N 1 ATOM 2478 C CA . ASN A 1 174 ? 29.702 7.723 15.513 1.00 8.39 ? 174 ASN A CA 1 ATOM 2479 C C . ASN A 1 174 ? 29.115 8.112 16.844 1.00 8.61 ? 174 ASN A C 1 ATOM 2480 O O . ASN A 1 174 ? 29.746 8.011 17.873 1.00 10.49 ? 174 ASN A O 1 ATOM 2481 C CB . ASN A 1 174 ? 31.223 7.610 15.548 1.00 9.22 ? 174 ASN A CB 1 ATOM 2482 C CG . ASN A 1 174 ? 31.752 6.918 14.371 1.00 10.25 ? 174 ASN A CG 1 ATOM 2483 O OD1 . ASN A 1 174 ? 31.019 6.388 13.582 1.00 12.73 ? 174 ASN A OD1 1 ATOM 2484 N ND2 . ASN A 1 174 ? 33.069 6.918 14.207 1.00 13.31 ? 174 ASN A ND2 1 ATOM 2485 H H . ASN A 1 174 ? 28.872 8.144 13.654 1.00 9.99 ? 174 ASN A H 1 ATOM 2486 H HA . ASN A 1 174 ? 29.348 6.833 15.316 1.00 8.78 ? 174 ASN A HA 1 ATOM 2487 H HB2 . ASN A 1 174 ? 31.617 8.495 15.580 1.00 9.41 ? 174 ASN A HB2 1 ATOM 2488 H HB3 . ASN A 1 174 ? 31.490 7.100 16.328 1.00 9.41 ? 174 ASN A HB3 1 ATOM 2489 H HD21 . ASN A 1 174 ? 33.466 6.472 13.429 1.00 12.71 ? 174 ASN A HD21 1 ATOM 2490 H HD22 . ASN A 1 174 ? 33.646 7.363 14.862 1.00 12.71 ? 174 ASN A HD22 1 ATOM 2491 N N . GLY A 1 175 ? 27.849 8.511 16.812 1.00 8.27 ? 175 GLY A N 1 ATOM 2492 C CA . GLY A 1 175 ? 27.103 8.730 18.020 1.00 9.65 ? 175 GLY A CA 1 ATOM 2493 C C . GLY A 1 175 ? 27.223 10.109 18.646 1.00 8.60 ? 175 GLY A C 1 ATOM 2494 O O . GLY A 1 175 ? 26.587 10.347 19.659 1.00 10.46 ? 175 GLY A O 1 ATOM 2495 H H . GLY A 1 175 ? 27.311 8.675 15.974 1.00 8.53 ? 175 GLY A H 1 ATOM 2496 H HA2 . GLY A 1 175 ? 26.164 8.585 17.825 1.00 9.62 ? 175 GLY A HA2 1 ATOM 2497 H HA3 . GLY A 1 175 ? 27.365 8.077 18.687 1.00 9.62 ? 175 GLY A HA3 1 ATOM 2498 N N . LEU A 1 176 ? 28.055 10.982 18.093 1.00 8.24 ? 176 LEU A N 1 ATOM 2499 C CA . LEU A 1 176 ? 28.290 12.299 18.682 1.00 8.75 ? 176 LEU A CA 1 ATOM 2500 C C . LEU A 1 176 ? 28.138 13.349 17.646 1.00 7.99 ? 176 LEU A C 1 ATOM 2501 O O . LEU A 1 176 ? 28.498 13.165 16.484 1.00 7.95 ? 176 LEU A O 1 ATOM 2502 C CB . LEU A 1 176 ? 29.694 12.386 19.280 1.00 9.41 ? 176 LEU A CB 1 ATOM 2503 C CG . LEU A 1 176 ? 29.959 11.475 20.427 1.00 10.33 ? 176 LEU A CG 1 ATOM 2504 C CD1 . LEU A 1 176 ? 31.426 11.601 20.825 1.00 12.14 ? 176 LEU A CD1 1 ATOM 2505 C CD2 . LEU A 1 176 ? 29.107 11.791 21.650 1.00 11.95 ? 176 LEU A CD2 1 ATOM 2506 H H . LEU A 1 176 ? 28.580 10.825 17.246 1.00 8.53 ? 176 LEU A H 1 ATOM 2507 H HA . LEU A 1 176 ? 27.639 12.474 19.391 1.00 11.77 ? 176 LEU A HA 1 ATOM 2508 H HB2 . LEU A 1 176 ? 30.336 12.185 18.583 1.00 11.77 ? 176 LEU A HB2 1 ATOM 2509 H HB3 . LEU A 1 176 ? 29.834 13.291 19.595 1.00 11.77 ? 176 LEU A HB3 1 ATOM 2510 H HG . LEU A 1 176 ? 29.789 10.558 20.161 1.00 10.50 ? 176 LEU A HG 1 ATOM 2511 H HD11 . LEU A 1 176 ? 31.976 11.389 20.067 1.00 11.77 ? 176 LEU A HD11 1 ATOM 2512 H HD12 . LEU A 1 176 ? 31.610 10.989 21.542 1.00 11.77 ? 176 LEU A HD12 1 ATOM 2513 H HD13 . LEU A 1 176 ? 31.596 12.501 21.111 1.00 11.77 ? 176 LEU A HD13 1 ATOM 2514 H HD21 . LEU A 1 176 ? 29.154 12.733 21.828 1.00 11.77 ? 176 LEU A HD21 1 ATOM 2515 H HD22 . LEU A 1 176 ? 29.443 11.299 22.404 1.00 11.77 ? 176 LEU A HD22 1 ATOM 2516 H HD23 . LEU A 1 176 ? 28.199 11.535 21.474 1.00 11.77 ? 176 LEU A HD23 1 ATOM 2517 N N . GLY A 1 177 ? 27.664 14.520 18.061 1.00 9.01 ? 177 GLY A N 1 ATOM 2518 C CA . GLY A 1 177 ? 27.588 15.649 17.168 1.00 8.66 ? 177 GLY A CA 1 ATOM 2519 C C . GLY A 1 177 ? 26.960 16.765 17.917 1.00 9.18 ? 177 GLY A C 1 ATOM 2520 O O . GLY A 1 177 ? 26.693 16.660 19.100 1.00 13.90 ? 177 GLY A O 1 ATOM 2521 H H . GLY A 1 177 ? 27.335 14.702 19.000 1.00 11.77 ? 177 GLY A H 1 ATOM 2522 H HA2 . GLY A 1 177 ? 28.476 15.912 16.880 1.00 8.98 ? 177 GLY A HA2 1 ATOM 2523 H HA3 . GLY A 1 177 ? 27.048 15.434 16.395 1.00 8.98 ? 177 GLY A HA3 1 ATOM 2524 N N . ARG A 1 178 ? 26.758 17.876 17.227 1.00 9.30 ? 178 ARG A N 1 ATOM 2525 C CA . ARG A 1 178 ? 26.267 19.076 17.903 1.00 9.56 ? 178 ARG A CA 1 ATOM 2526 C C . ARG A 1 178 ? 24.916 19.482 17.355 1.00 9.60 ? 178 ARG A C 1 ATOM 2527 O O . ARG A 1 178 ? 24.555 19.251 16.219 1.00 10.05 ? 178 ARG A O 1 ATOM 2528 C CB . ARG A 1 178 ? 27.280 20.167 17.789 1.00 10.32 ? 178 ARG A CB 1 ATOM 2529 C CG . ARG A 1 178 ? 28.517 19.837 18.582 1.00 11.12 ? 178 ARG A CG 1 ATOM 2530 C CD . ARG A 1 178 ? 29.562 20.873 18.501 1.00 11.48 ? 178 ARG A CD 1 ATOM 2531 N NE . ARG A 1 178 ? 30.658 20.488 19.317 1.00 11.02 ? 178 ARG A NE 1 ATOM 2532 C CZ . ARG A 1 178 ? 31.871 20.993 19.190 1.00 11.33 ? 178 ARG A CZ 1 ATOM 2533 N NH1 . ARG A 1 178 ? 32.086 21.961 18.320 1.00 12.54 ? 178 ARG A NH1 1 ATOM 2534 N NH2 . ARG A 1 178 ? 32.852 20.564 19.960 1.00 12.88 ? 178 ARG A NH2 1 ATOM 2535 H H . ARG A 1 178 ? 26.916 17.982 16.235 1.00 9.41 ? 178 ARG A H 1 ATOM 2536 H HA . ARG A 1 178 ? 26.151 18.891 18.858 1.00 11.85 ? 178 ARG A HA 1 ATOM 2537 H HB2 . ARG A 1 178 ? 27.533 20.277 16.859 1.00 14.47 ? 178 ARG A HB2 1 ATOM 2538 H HB3 . ARG A 1 178 ? 26.906 20.992 18.137 1.00 14.47 ? 178 ARG A HB3 1 ATOM 2539 H HG2 . ARG A 1 178 ? 28.268 19.738 19.514 1.00 11.85 ? 178 ARG A HG2 1 ATOM 2540 H HG3 . ARG A 1 178 ? 28.896 19.008 18.251 1.00 11.85 ? 178 ARG A HG3 1 ATOM 2541 H HD2 . ARG A 1 178 ? 29.851 20.941 17.578 1.00 11.85 ? 178 ARG A HD2 1 ATOM 2542 H HD3 . ARG A 1 178 ? 29.214 21.720 18.820 1.00 11.85 ? 178 ARG A HD3 1 ATOM 2543 H HE . ARG A 1 178 ? 30.472 19.954 20.105 1.00 11.85 ? 178 ARG A HE 1 ATOM 2544 H HH11 . ARG A 1 178 ? 31.461 22.250 17.808 1.00 11.85 ? 178 ARG A HH11 1 ATOM 2545 H HH12 . ARG A 1 178 ? 32.873 22.299 18.247 1.00 11.85 ? 178 ARG A HH12 1 ATOM 2546 H HH21 . ARG A 1 178 ? 32.709 19.944 20.538 1.00 11.85 ? 178 ARG A HH21 1 ATOM 2547 H HH22 . ARG A 1 178 ? 33.636 20.912 19.895 1.00 11.85 ? 178 ARG A HH22 1 ATOM 2548 N N . SER A 1 179 ? 24.132 20.079 18.248 1.00 10.58 ? 179 SER A N 1 ATOM 2549 C CA . SER A 1 179 ? 22.778 20.451 17.910 1.00 11.32 ? 179 SER A CA 1 ATOM 2550 C C . SER A 1 179 ? 22.741 21.643 16.984 1.00 11.34 ? 179 SER A C 1 ATOM 2551 O O . SER A 1 179 ? 23.538 22.566 17.085 1.00 11.88 ? 179 SER A O 1 ATOM 2552 C CB . SER A 1 179 ? 21.956 20.751 19.161 1.00 13.80 ? 179 SER A CB 1 ATOM 2553 O OG A SER A 1 179 ? 22.436 21.792 19.886 0.50 17.18 ? 179 SER A OG 1 ATOM 2554 O OG B SER A 1 179 ? 22.283 20.015 20.300 0.30 12.40 ? 179 SER A OG 1 ATOM 2555 O OG C SER A 1 179 ? 20.653 21.215 18.948 0.20 13.49 ? 179 SER A OG 1 ATOM 2556 H H . SER A 1 179 ? 24.415 20.315 19.189 1.00 11.85 ? 179 SER A H 1 ATOM 2557 H HA . SER A 1 179 ? 22.354 19.695 17.458 1.00 9.76 ? 179 SER A HA 1 ATOM 2558 N N . PHE A 1 180 ? 21.765 21.623 16.092 1.00 12.04 ? 180 PHE A N 1 ATOM 2559 C CA . PHE A 1 180 ? 21.608 22.682 15.115 1.00 13.11 ? 180 PHE A CA 1 ATOM 2560 C C . PHE A 1 180 ? 21.151 23.989 15.740 1.00 14.73 ? 180 PHE A C 1 ATOM 2561 O O . PHE A 1 180 ? 21.551 25.031 15.252 1.00 18.65 ? 180 PHE A O 1 ATOM 2562 C CB . PHE A 1 180 ? 20.599 22.296 14.056 1.00 11.94 ? 180 PHE A CB 1 ATOM 2563 C CG . PHE A 1 180 ? 20.867 21.011 13.349 1.00 10.74 ? 180 PHE A CG 1 ATOM 2564 C CD1 . PHE A 1 180 ? 22.156 20.631 13.029 1.00 11.19 ? 180 PHE A CD1 1 ATOM 2565 C CD2 . PHE A 1 180 ? 19.839 20.159 13.016 1.00 11.04 ? 180 PHE A CD2 1 ATOM 2566 C CE1 . PHE A 1 180 ? 22.400 19.474 12.333 1.00 12.27 ? 180 PHE A CE1 1 ATOM 2567 C CE2 . PHE A 1 180 ? 20.097 18.989 12.314 1.00 10.78 ? 180 PHE A CE2 1 ATOM 2568 C CZ . PHE A 1 180 ? 21.361 18.658 11.978 1.00 11.40 ? 180 PHE A CZ 1 ATOM 2569 H H . PHE A 1 180 ? 21.066 20.896 16.037 1.00 9.76 ? 180 PHE A H 1 ATOM 2570 H HA . PHE A 1 180 ? 22.468 22.849 14.676 1.00 11.62 ? 180 PHE A HA 1 ATOM 2571 H HB2 . PHE A 1 180 ? 19.728 22.222 14.477 1.00 11.64 ? 180 PHE A HB2 1 ATOM 2572 H HB3 . PHE A 1 180 ? 20.574 22.995 13.385 1.00 11.64 ? 180 PHE A HB3 1 ATOM 2573 H HD1 . PHE A 1 180 ? 22.869 21.191 13.232 1.00 11.62 ? 180 PHE A HD1 1 ATOM 2574 H HD2 . PHE A 1 180 ? 18.962 20.396 13.212 1.00 11.64 ? 180 PHE A HD2 1 ATOM 2575 H HE1 . PHE A 1 180 ? 23.272 19.240 12.117 1.00 11.62 ? 180 PHE A HE1 1 ATOM 2576 H HE2 . PHE A 1 180 ? 19.395 18.425 12.082 1.00 11.63 ? 180 PHE A HE2 1 ATOM 2577 H HZ . PHE A 1 180 ? 21.530 17.855 11.540 1.00 11.63 ? 180 PHE A HZ 1 ATOM 2578 N N . THR A 1 181 ? 20.340 23.916 16.762 1.00 16.02 ? 181 THR A N 1 ATOM 2579 C CA . THR A 1 181 ? 19.950 25.117 17.446 1.00 20.09 ? 181 THR A CA 1 ATOM 2580 C C . THR A 1 181 ? 20.447 25.008 18.879 1.00 17.36 ? 181 THR A C 1 ATOM 2581 O O . THR A 1 181 ? 20.649 23.926 19.418 1.00 18.65 ? 181 THR A O 1 ATOM 2582 C CB . THR A 1 181 ? 18.446 25.332 17.335 1.00 24.99 ? 181 THR A CB 1 ATOM 2583 O OG1 . THR A 1 181 ? 17.800 24.242 17.947 1.00 29.04 ? 181 THR A OG1 1 ATOM 2584 C CG2 . THR A 1 181 ? 18.055 25.408 15.842 1.00 28.68 ? 181 THR A CG2 1 ATOM 2585 H H . THR A 1 181 ? 19.941 23.066 17.135 1.00 24.99 ? 181 THR A H 1 ATOM 2586 H HA . THR A 1 181 ? 20.390 25.897 17.049 1.00 25.36 ? 181 THR A HA 1 ATOM 2587 N N . ASN A 1 182 ? 20.651 26.143 19.501 1.00 19.68 ? 182 ASN A N 1 ATOM 2588 C CA . ASN A 1 182 ? 21.281 26.216 20.826 1.00 22.98 ? 182 ASN A CA 1 ATOM 2589 C C . ASN A 1 182 ? 22.497 25.327 20.877 1.00 19.90 ? 182 ASN A C 1 ATOM 2590 O O . ASN A 1 182 ? 22.696 24.548 21.818 1.00 23.16 ? 182 ASN A O 1 ATOM 2591 C CB . ASN A 1 182 ? 20.311 25.805 21.951 1.00 37.80 ? 182 ASN A CB 1 ATOM 2592 C CG . ASN A 1 182 ? 19.154 26.754 22.094 1.00 46.60 ? 182 ASN A CG 1 ATOM 2593 O OD1 . ASN A 1 182 ? 19.150 27.840 21.511 1.00 46.67 ? 182 ASN A OD1 1 ATOM 2594 N ND2 . ASN A 1 182 ? 18.153 26.349 22.876 1.00 51.12 ? 182 ASN A ND2 1 ATOM 2595 H H . ASN A 1 182 ? 20.394 27.046 19.126 1.00 25.36 ? 182 ASN A H 1 ATOM 2596 H HA . ASN A 1 182 ? 21.575 27.136 20.993 1.00 37.97 ? 182 ASN A HA 1 ATOM 2597 N N . THR A 1 183 ? 23.325 25.465 19.847 1.00 18.42 ? 183 THR A N 1 ATOM 2598 C CA . THR A 1 183 ? 24.481 24.614 19.693 1.00 17.70 ? 183 THR A CA 1 ATOM 2599 C C . THR A 1 183 ? 25.382 24.718 20.898 1.00 18.51 ? 183 THR A C 1 ATOM 2600 O O . THR A 1 183 ? 25.748 25.804 21.305 1.00 22.64 ? 183 THR A O 1 ATOM 2601 C CB . THR A 1 183 ? 25.266 24.978 18.431 1.00 17.96 ? 183 THR A CB 1 ATOM 2602 O OG1 . THR A 1 183 ? 24.372 25.039 17.330 1.00 17.04 ? 183 THR A OG1 1 ATOM 2603 C CG2 . THR A 1 183 ? 26.418 24.028 18.214 1.00 16.58 ? 183 THR A CG2 1 ATOM 2604 H H . THR A 1 183 ? 23.220 26.156 19.117 1.00 17.88 ? 183 THR A H 1 ATOM 2605 H HA . THR A 1 183 ? 24.182 23.686 19.607 1.00 14.47 ? 183 THR A HA 1 ATOM 2606 H HB . THR A 1 183 ? 25.647 25.862 18.556 1.00 17.25 ? 183 THR A HB 1 ATOM 2607 H HG21 . THR A 1 183 ? 27.204 24.359 18.654 1.00 14.47 ? 183 THR A HG21 1 ATOM 2608 H HG22 . THR A 1 183 ? 26.599 23.945 17.275 1.00 14.47 ? 183 THR A HG22 1 ATOM 2609 H HG23 . THR A 1 183 ? 26.205 23.161 18.566 1.00 14.47 ? 183 THR A HG23 1 ATOM 2610 N N . THR A 1 184 ? 25.719 23.588 21.501 1.00 18.66 ? 184 THR A N 1 ATOM 2611 C CA . THR A 1 184 ? 26.764 23.616 22.520 1.00 19.07 ? 184 THR A CA 1 ATOM 2612 C C . THR A 1 184 ? 27.941 22.823 22.050 1.00 17.01 ? 184 THR A C 1 ATOM 2613 O O . THR A 1 184 ? 27.843 21.973 21.167 1.00 15.00 ? 184 THR A O 1 ATOM 2614 C CB . THR A 1 184 ? 26.309 23.091 23.874 1.00 22.83 ? 184 THR A CB 1 ATOM 2615 O OG1 . THR A 1 184 ? 25.949 21.719 23.745 1.00 21.83 ? 184 THR A OG1 1 ATOM 2616 C CG2 . THR A 1 184 ? 25.123 23.884 24.395 1.00 32.50 ? 184 THR A CG2 1 ATOM 2617 H H . THR A 1 184 ? 25.316 22.680 21.324 1.00 14.47 ? 184 THR A H 1 ATOM 2618 H HA . THR A 1 184 ? 27.072 24.535 22.660 1.00 16.63 ? 184 THR A HA 1 ATOM 2619 H HB . THR A 1 184 ? 27.035 23.174 24.512 1.00 19.29 ? 184 THR A HB 1 ATOM 2620 H HG21 . THR A 1 184 ? 25.306 24.825 24.334 1.00 22.01 ? 184 THR A HG21 1 ATOM 2621 H HG22 . THR A 1 184 ? 24.956 23.658 25.313 1.00 22.01 ? 184 THR A HG22 1 ATOM 2622 H HG23 . THR A 1 184 ? 24.341 23.684 23.876 1.00 22.01 ? 184 THR A HG23 1 ATOM 2623 N N . ALA A 1 185 ? 29.083 23.134 22.632 1.00 16.93 ? 185 ALA A N 1 ATOM 2624 C CA . ALA A 1 185 ? 30.346 22.551 22.214 1.00 16.79 ? 185 ALA A CA 1 ATOM 2625 C C . ALA A 1 185 ? 30.567 21.197 22.852 1.00 15.47 ? 185 ALA A C 1 ATOM 2626 O O . ALA A 1 185 ? 31.559 20.940 23.522 1.00 18.36 ? 185 ALA A O 1 ATOM 2627 C CB . ALA A 1 185 ? 31.501 23.491 22.513 1.00 19.11 ? 185 ALA A CB 1 ATOM 2628 H H . ALA A 1 185 ? 29.169 23.785 23.399 1.00 16.63 ? 185 ALA A H 1 ATOM 2629 H HA . ALA A 1 185 ? 30.332 22.419 21.243 1.00 15.62 ? 185 ALA A HA 1 ATOM 2630 H HB1 . ALA A 1 185 ? 31.330 24.337 22.092 1.00 16.63 ? 185 ALA A HB1 1 ATOM 2631 H HB2 . ALA A 1 185 ? 32.312 23.112 22.166 1.00 16.63 ? 185 ALA A HB2 1 ATOM 2632 H HB3 . ALA A 1 185 ? 31.572 23.608 23.463 1.00 16.63 ? 185 ALA A HB3 1 ATOM 2633 N N . SER A 1 186 ? 29.595 20.321 22.615 1.00 14.12 ? 186 SER A N 1 ATOM 2634 C CA . SER A 1 186 ? 29.632 18.975 23.118 1.00 13.27 ? 186 SER A CA 1 ATOM 2635 C C . SER A 1 186 ? 30.704 18.192 22.359 1.00 11.62 ? 186 SER A C 1 ATOM 2636 O O . SER A 1 186 ? 31.107 18.581 21.263 1.00 12.03 ? 186 SER A O 1 ATOM 2637 C CB . SER A 1 186 ? 28.257 18.363 23.036 1.00 14.32 ? 186 SER A CB 1 ATOM 2638 O OG . SER A 1 186 ? 27.798 18.407 21.731 1.00 14.54 ? 186 SER A OG 1 ATOM 2639 H H . SER A 1 186 ? 28.778 20.513 22.057 1.00 13.96 ? 186 SER A H 1 ATOM 2640 H HA . SER A 1 186 ? 29.885 19.010 24.063 1.00 13.73 ? 186 SER A HA 1 ATOM 2641 H HB2 . SER A 1 186 ? 28.295 17.445 23.342 1.00 13.77 ? 186 SER A HB2 1 ATOM 2642 H HB3 . SER A 1 186 ? 27.653 18.873 23.598 1.00 13.77 ? 186 SER A HB3 1 ATOM 2643 N N . PRO A 1 187 ? 31.133 17.052 22.880 1.00 11.26 ? 187 PRO A N 1 ATOM 2644 C CA . PRO A 1 187 ? 32.225 16.381 22.222 1.00 11.73 ? 187 PRO A CA 1 ATOM 2645 C C . PRO A 1 187 ? 31.876 15.905 20.831 1.00 10.67 ? 187 PRO A C 1 ATOM 2646 O O . PRO A 1 187 ? 30.798 15.374 20.581 1.00 11.98 ? 187 PRO A O 1 ATOM 2647 C CB . PRO A 1 187 ? 32.501 15.190 23.138 1.00 15.00 ? 187 PRO A CB 1 ATOM 2648 C CG . PRO A 1 187 ? 32.015 15.649 24.479 1.00 16.85 ? 187 PRO A CG 1 ATOM 2649 C CD . PRO A 1 187 ? 30.841 16.486 24.199 1.00 14.73 ? 187 PRO A CD 1 ATOM 2650 H HA . PRO A 1 187 ? 33.015 16.960 22.195 1.00 11.73 ? 187 PRO A HA 1 ATOM 2651 H HB2 . PRO A 1 187 ? 32.002 14.412 22.840 1.00 13.90 ? 187 PRO A HB2 1 ATOM 2652 H HB3 . PRO A 1 187 ? 33.453 15.004 23.160 1.00 13.90 ? 187 PRO A HB3 1 ATOM 2653 H HG2 . PRO A 1 187 ? 31.769 14.882 25.018 1.00 15.36 ? 187 PRO A HG2 1 ATOM 2654 H HG3 . PRO A 1 187 ? 32.708 16.168 24.917 1.00 15.36 ? 187 PRO A HG3 1 ATOM 2655 H HD2 . PRO A 1 187 ? 30.039 15.941 24.163 1.00 13.73 ? 187 PRO A HD2 1 ATOM 2656 H HD3 . PRO A 1 187 ? 30.769 17.181 24.870 1.00 13.73 ? 187 PRO A HD3 1 ATOM 2657 N N . LEU A 1 188 ? 32.843 16.021 19.950 1.00 10.23 ? 188 LEU A N 1 ATOM 2658 C CA . LEU A 1 188 ? 32.785 15.439 18.620 1.00 9.85 ? 188 LEU A CA 1 ATOM 2659 C C . LEU A 1 188 ? 33.471 14.097 18.585 1.00 9.39 ? 188 LEU A C 1 ATOM 2660 O O . LEU A 1 188 ? 34.426 13.839 19.311 1.00 10.74 ? 188 LEU A O 1 ATOM 2661 C CB . LEU A 1 188 ? 33.460 16.383 17.628 1.00 10.50 ? 188 LEU A CB 1 ATOM 2662 C CG . LEU A 1 188 ? 32.837 17.757 17.546 1.00 10.96 ? 188 LEU A CG 1 ATOM 2663 C CD1 . LEU A 1 188 ? 33.599 18.576 16.537 1.00 14.21 ? 188 LEU A CD1 1 ATOM 2664 C CD2 . LEU A 1 188 ? 31.380 17.692 17.171 1.00 11.38 ? 188 LEU A CD2 1 ATOM 2665 H H . LEU A 1 188 ? 33.703 16.520 20.126 1.00 11.73 ? 188 LEU A H 1 ATOM 2666 H HA . LEU A 1 188 ? 31.853 15.314 18.345 1.00 11.73 ? 188 LEU A HA 1 ATOM 2667 H HB2 . LEU A 1 188 ? 34.389 16.493 17.885 1.00 11.73 ? 188 LEU A HB2 1 ATOM 2668 H HB3 . LEU A 1 188 ? 33.412 15.987 16.743 1.00 11.73 ? 188 LEU A HB3 1 ATOM 2669 H HG . LEU A 1 188 ? 32.911 18.196 18.407 1.00 10.96 ? 188 LEU A HG 1 ATOM 2670 H HD11 . LEU A 1 188 ? 34.530 18.576 16.772 1.00 11.73 ? 188 LEU A HD11 1 ATOM 2671 H HD12 . LEU A 1 188 ? 33.260 19.474 16.544 1.00 11.73 ? 188 LEU A HD12 1 ATOM 2672 H HD13 . LEU A 1 188 ? 33.479 18.186 15.668 1.00 11.73 ? 188 LEU A HD13 1 ATOM 2673 H HD21 . LEU A 1 188 ? 31.263 17.037 16.479 1.00 11.73 ? 188 LEU A HD21 1 ATOM 2674 H HD22 . LEU A 1 188 ? 31.096 18.554 16.856 1.00 11.73 ? 188 LEU A HD22 1 ATOM 2675 H HD23 . LEU A 1 188 ? 30.869 17.445 17.945 1.00 11.73 ? 188 LEU A HD23 1 ATOM 2676 N N . SER A 1 189 ? 33.018 13.250 17.670 1.00 8.77 ? 189 SER A N 1 ATOM 2677 C CA . SER A 1 189 ? 33.693 12.012 17.464 1.00 8.42 ? 189 SER A CA 1 ATOM 2678 C C . SER A 1 189 ? 35.031 12.247 16.775 1.00 8.74 ? 189 SER A C 1 ATOM 2679 O O . SER A 1 189 ? 35.165 13.118 15.946 1.00 9.49 ? 189 SER A O 1 ATOM 2680 C CB . SER A 1 189 ? 32.851 11.089 16.612 1.00 8.73 ? 189 SER A CB 1 ATOM 2681 O OG . SER A 1 189 ? 31.798 10.577 17.373 1.00 9.65 ? 189 SER A OG 1 ATOM 2682 H H . SER A 1 189 ? 32.210 13.408 17.085 1.00 11.73 ? 189 SER A H 1 ATOM 2683 H HA . SER A 1 189 ? 33.844 11.573 18.326 1.00 9.05 ? 189 SER A HA 1 ATOM 2684 H HB2 . SER A 1 189 ? 32.493 11.578 15.854 1.00 11.72 ? 189 SER A HB2 1 ATOM 2685 H HB3 . SER A 1 189 ? 33.400 10.352 16.301 1.00 11.72 ? 189 SER A HB3 1 ATOM 2686 N N . VAL A 1 190 ? 35.962 11.391 17.152 1.00 9.24 ? 190 VAL A N 1 ATOM 2687 C CA . VAL A 1 190 ? 37.292 11.401 16.610 1.00 9.75 ? 190 VAL A CA 1 ATOM 2688 C C . VAL A 1 190 ? 37.533 10.044 15.982 1.00 9.63 ? 190 VAL A C 1 ATOM 2689 O O . VAL A 1 190 ? 37.299 9.014 16.630 1.00 11.12 ? 190 VAL A O 1 ATOM 2690 C CB . VAL A 1 190 ? 38.355 11.672 17.680 1.00 10.74 ? 190 VAL A CB 1 ATOM 2691 C CG1 . VAL A 1 190 ? 39.713 11.670 17.021 1.00 12.27 ? 190 VAL A CG1 1 ATOM 2692 C CG2 . VAL A 1 190 ? 38.067 13.005 18.335 1.00 11.86 ? 190 VAL A CG2 1 ATOM 2693 H H . VAL A 1 190 ? 35.820 10.666 17.842 1.00 9.05 ? 190 VAL A H 1 ATOM 2694 H HA . VAL A 1 190 ? 37.370 12.094 15.925 1.00 12.09 ? 190 VAL A HA 1 ATOM 2695 H HB . VAL A 1 190 ? 38.330 10.968 18.362 1.00 10.72 ? 190 VAL A HB 1 ATOM 2696 H HG11 . VAL A 1 190 ? 40.026 10.766 16.949 1.00 12.09 ? 190 VAL A HG11 1 ATOM 2697 H HG12 . VAL A 1 190 ? 40.325 12.178 17.559 1.00 12.09 ? 190 VAL A HG12 1 ATOM 2698 H HG13 . VAL A 1 190 ? 39.648 12.065 16.148 1.00 12.09 ? 190 VAL A HG13 1 ATOM 2699 H HG21 . VAL A 1 190 ? 37.952 13.671 17.653 1.00 12.09 ? 190 VAL A HG21 1 ATOM 2700 H HG22 . VAL A 1 190 ? 38.804 13.243 18.903 1.00 12.09 ? 190 VAL A HG22 1 ATOM 2701 H HG23 . VAL A 1 190 ? 37.266 12.932 18.860 1.00 12.09 ? 190 VAL A HG23 1 ATOM 2702 N N . ILE A 1 191 ? 37.926 10.051 14.730 1.00 9.30 ? 191 ILE A N 1 ATOM 2703 C CA . ILE A 1 191 ? 38.351 8.851 14.017 1.00 10.15 ? 191 ILE A CA 1 ATOM 2704 C C . ILE A 1 191 ? 39.872 9.011 13.881 1.00 10.20 ? 191 ILE A C 1 ATOM 2705 O O . ILE A 1 191 ? 40.334 9.979 13.348 1.00 10.81 ? 191 ILE A O 1 ATOM 2706 C CB . ILE A 1 191 ? 37.714 8.753 12.649 1.00 10.93 ? 191 ILE A CB 1 ATOM 2707 C CG1 . ILE A 1 191 ? 36.202 8.571 12.813 1.00 12.94 ? 191 ILE A CG1 1 ATOM 2708 C CG2 . ILE A 1 191 ? 38.279 7.579 11.881 1.00 13.90 ? 191 ILE A CG2 1 ATOM 2709 C CD1 A ILE A 1 191 ? 35.454 8.481 11.564 0.50 13.18 ? 191 ILE A CD1 1 ATOM 2710 C CD1 B ILE A 1 191 ? 35.280 9.659 13.353 0.50 14.06 ? 191 ILE A CD1 1 ATOM 2711 H H . ILE A 1 191 ? 37.972 10.884 14.159 1.00 12.09 ? 191 ILE A H 1 ATOM 2712 H HA . ILE A 1 191 ? 38.148 8.041 14.530 1.00 11.05 ? 191 ILE A HA 1 ATOM 2713 H HB . ILE A 1 191 ? 37.890 9.572 12.158 1.00 12.09 ? 191 ILE A HB 1 ATOM 2714 H HG21 . ILE A 1 191 ? 39.236 7.590 11.932 1.00 12.17 ? 191 ILE A HG21 1 ATOM 2715 H HG22 . ILE A 1 191 ? 38.019 7.642 10.958 1.00 12.17 ? 191 ILE A HG22 1 ATOM 2716 H HG23 . ILE A 1 191 ? 37.949 6.759 12.258 1.00 12.17 ? 191 ILE A HG23 1 ATOM 2717 N N . THR A 1 192 ? 40.584 8.032 14.417 1.00 11.58 ? 192 THR A N 1 ATOM 2718 C CA . THR A 1 192 ? 42.035 8.113 14.471 1.00 12.45 ? 192 THR A CA 1 ATOM 2719 C C . THR A 1 192 ? 42.628 7.202 13.435 1.00 12.05 ? 192 THR A C 1 ATOM 2720 O O . THR A 1 192 ? 42.210 6.055 13.247 1.00 14.14 ? 192 THR A O 1 ATOM 2721 C CB . THR A 1 192 ? 42.553 7.757 15.884 1.00 14.24 ? 192 THR A CB 1 ATOM 2722 O OG1 . THR A 1 192 ? 41.977 8.679 16.821 1.00 17.48 ? 192 THR A OG1 1 ATOM 2723 C CG2 . THR A 1 192 ? 44.032 7.862 15.964 1.00 17.39 ? 192 THR A CG2 1 ATOM 2724 H H . THR A 1 192 ? 40.201 7.186 14.814 1.00 11.05 ? 192 THR A H 1 ATOM 2725 H HA . THR A 1 192 ? 42.313 9.029 14.284 1.00 14.34 ? 192 THR A HA 1 ATOM 2726 H HB . THR A 1 192 ? 42.291 6.851 16.112 1.00 14.34 ? 192 THR A HB 1 ATOM 2727 H HG21 . THR A 1 192 ? 44.436 7.039 15.679 1.00 14.37 ? 192 THR A HG21 1 ATOM 2728 H HG22 . THR A 1 192 ? 44.300 8.040 16.869 1.00 14.37 ? 192 THR A HG22 1 ATOM 2729 H HG23 . THR A 1 192 ? 44.346 8.575 15.403 1.00 14.37 ? 192 THR A HG23 1 ATOM 2730 N N . VAL A 1 193 ? 43.619 7.764 12.726 1.00 11.58 ? 193 VAL A N 1 ATOM 2731 C CA . VAL A 1 193 ? 44.344 7.046 11.712 1.00 11.57 ? 193 VAL A CA 1 ATOM 2732 C C . VAL A 1 193 ? 45.834 7.247 11.934 1.00 12.44 ? 193 VAL A C 1 ATOM 2733 O O . VAL A 1 193 ? 46.264 8.214 12.544 1.00 14.34 ? 193 VAL A O 1 ATOM 2734 C CB . VAL A 1 193 ? 43.975 7.456 10.285 1.00 11.18 ? 193 VAL A CB 1 ATOM 2735 C CG1 . VAL A 1 193 ? 42.550 7.031 9.977 1.00 12.26 ? 193 VAL A CG1 1 ATOM 2736 C CG2 . VAL A 1 193 ? 44.180 8.915 10.054 1.00 12.12 ? 193 VAL A CG2 1 ATOM 2737 H H . VAL A 1 193 ? 43.936 8.715 12.852 1.00 14.32 ? 193 VAL A H 1 ATOM 2738 H HA . VAL A 1 193 ? 44.164 6.086 11.796 1.00 15.62 ? 193 VAL A HA 1 ATOM 2739 H HB . VAL A 1 193 ? 44.563 6.978 9.664 1.00 11.46 ? 193 VAL A HB 1 ATOM 2740 H HG11 . VAL A 1 193 ? 42.472 6.083 10.108 1.00 16.05 ? 193 VAL A HG11 1 ATOM 2741 H HG12 . VAL A 1 193 ? 42.349 7.253 9.065 1.00 16.05 ? 193 VAL A HG12 1 ATOM 2742 H HG13 . VAL A 1 193 ? 41.951 7.494 10.567 1.00 16.05 ? 193 VAL A HG13 1 ATOM 2743 H HG21 . VAL A 1 193 ? 43.645 9.414 10.674 1.00 14.30 ? 193 VAL A HG21 1 ATOM 2744 H HG22 . VAL A 1 193 ? 43.910 9.122 9.156 1.00 14.30 ? 193 VAL A HG22 1 ATOM 2745 H HG23 . VAL A 1 193 ? 45.107 9.133 10.169 1.00 14.30 ? 193 VAL A HG23 1 ATOM 2746 N N . GLN A 1 194 ? 46.620 6.305 11.449 1.00 13.12 ? 194 GLN A N 1 ATOM 2747 C CA . GLN A 1 194 ? 48.076 6.366 11.491 1.00 14.35 ? 194 GLN A CA 1 ATOM 2748 C C . GLN A 1 194 ? 48.579 6.664 10.079 1.00 14.15 ? 194 GLN A C 1 ATOM 2749 O O . GLN A 1 194 ? 48.249 5.951 9.148 1.00 13.85 ? 194 GLN A O 1 ATOM 2750 C CB . GLN A 1 194 ? 48.632 5.048 11.985 1.00 14.79 ? 194 GLN A CB 1 ATOM 2751 C CG . GLN A 1 194 ? 50.157 5.100 11.936 1.00 18.18 ? 194 GLN A CG 1 ATOM 2752 C CD . GLN A 1 194 ? 50.779 3.772 12.266 1.00 20.53 ? 194 GLN A CD 1 ATOM 2753 O OE1 . GLN A 1 194 ? 50.152 2.921 12.880 1.00 23.80 ? 194 GLN A OE1 1 ATOM 2754 N NE2 . GLN A 1 194 ? 52.050 3.582 11.859 1.00 24.64 ? 194 GLN A NE2 1 ATOM 2755 H H . GLN A 1 194 ? 46.271 5.470 11.003 1.00 15.20 ? 194 GLN A H 1 ATOM 2756 H HA . GLN A 1 194 ? 48.372 7.077 12.097 1.00 14.88 ? 194 GLN A HA 1 ATOM 2757 N N . SER A 1 195 ? 49.413 7.696 9.971 1.00 14.65 ? 195 SER A N 1 ATOM 2758 C CA . SER A 1 195 ? 49.991 8.111 8.745 1.00 15.23 ? 195 SER A CA 1 ATOM 2759 C C . SER A 1 195 ? 50.577 6.920 8.009 1.00 14.67 ? 195 SER A C 1 ATOM 2760 O O . SER A 1 195 ? 51.375 6.118 8.564 1.00 16.39 ? 195 SER A O 1 ATOM 2761 C CB . SER A 1 195 ? 51.062 9.202 9.048 1.00 18.37 ? 195 SER A CB 1 ATOM 2762 O OG . SER A 1 195 ? 51.659 9.688 7.866 1.00 16.96 ? 195 SER A OG 1 ATOM 2763 H H . SER A 1 195 ? 49.696 8.261 10.759 1.00 15.65 ? 195 SER A H 1 ATOM 2764 H HA . SER A 1 195 ? 49.295 8.516 8.187 1.00 13.42 ? 195 SER A HA 1 ATOM 2765 H HB2 . SER A 1 195 ? 50.637 9.944 9.506 1.00 16.46 ? 195 SER A HB2 1 ATOM 2766 H HB3 . SER A 1 195 ? 51.751 8.817 9.612 1.00 16.46 ? 195 SER A HB3 1 ATOM 2767 N N . GLY A 1 196 ? 50.227 6.793 6.753 1.00 12.60 ? 196 GLY A N 1 ATOM 2768 C CA . GLY A 1 196 ? 50.735 5.717 5.907 1.00 13.74 ? 196 GLY A CA 1 ATOM 2769 C C . GLY A 1 196 ? 49.798 4.538 5.802 1.00 13.46 ? 196 GLY A C 1 ATOM 2770 O O . GLY A 1 196 ? 49.869 3.850 4.826 1.00 15.60 ? 196 GLY A O 1 ATOM 2771 H H . GLY A 1 196 ? 49.591 7.414 6.273 1.00 13.42 ? 196 GLY A H 1 ATOM 2772 H HA2 . GLY A 1 196 ? 50.877 6.063 5.014 1.00 13.16 ? 196 GLY A HA2 1 ATOM 2773 H HA3 . GLY A 1 196 ? 51.588 5.399 6.241 1.00 13.16 ? 196 GLY A HA3 1 ATOM 2774 N N . LYS A 1 197 ? 48.950 4.287 6.780 1.00 12.98 ? 197 LYS A N 1 ATOM 2775 C CA . LYS A 1 197 ? 48.055 3.154 6.709 1.00 12.50 ? 197 LYS A CA 1 ATOM 2776 C C . LYS A 1 197 ? 46.846 3.466 5.887 1.00 11.23 ? 197 LYS A C 1 ATOM 2777 O O . LYS A 1 197 ? 46.480 4.604 5.644 1.00 13.35 ? 197 LYS A O 1 ATOM 2778 C CB . LYS A 1 197 ? 47.683 2.671 8.101 1.00 13.81 ? 197 LYS A CB 1 ATOM 2779 C CG . LYS A 1 197 ? 48.848 2.048 8.860 1.00 17.08 ? 197 LYS A CG 1 ATOM 2780 C CD . LYS A 1 197 ? 48.409 1.371 10.128 1.00 22.83 ? 197 LYS A CD 1 ATOM 2781 C CE . LYS A 1 197 ? 49.476 0.592 10.871 1.00 25.57 ? 197 LYS A CE 1 ATOM 2782 N NZ . LYS A 1 197 ? 48.794 -0.103 11.954 1.00 39.49 ? 197 LYS A NZ 1 ATOM 2783 H H . LYS A 1 197 ? 48.855 4.835 7.622 1.00 22.59 ? 197 LYS A H 1 ATOM 2784 H HA . LYS A 1 197 ? 48.522 2.410 6.273 1.00 15.31 ? 197 LYS A HA 1 ATOM 2785 H HB2 . LYS A 1 197 ? 47.354 3.421 8.621 1.00 22.59 ? 197 LYS A HB2 1 ATOM 2786 H HB3 . LYS A 1 197 ? 46.989 1.997 8.024 1.00 22.59 ? 197 LYS A HB3 1 ATOM 2787 H HG2 . LYS A 1 197 ? 49.274 1.383 8.297 1.00 15.31 ? 197 LYS A HG2 1 ATOM 2788 H HG3 . LYS A 1 197 ? 49.482 2.743 9.094 1.00 15.31 ? 197 LYS A HG3 1 ATOM 2789 H HD2 . LYS A 1 197 ? 48.072 2.051 10.733 1.00 22.59 ? 197 LYS A HD2 1 ATOM 2790 H HD3 . LYS A 1 197 ? 47.695 0.753 9.909 1.00 22.59 ? 197 LYS A HD3 1 ATOM 2791 H HE2 . LYS A 1 197 ? 49.877 -0.063 10.279 1.00 22.11 ? 197 LYS A HE2 1 ATOM 2792 H HE3 . LYS A 1 197 ? 50.148 1.187 11.233 1.00 22.11 ? 197 LYS A HE3 1 ATOM 2793 H HZ1 . LYS A 1 197 ? 48.316 0.524 12.502 1.00 22.59 ? 197 LYS A HZ1 1 ATOM 2794 H HZ2 . LYS A 1 197 ? 49.436 -0.563 12.499 1.00 22.59 ? 197 LYS A HZ2 1 ATOM 2795 H HZ3 . LYS A 1 197 ? 48.174 -0.744 11.598 1.00 22.59 ? 197 LYS A HZ3 1 ATOM 2796 N N . ARG A 1 198 ? 46.209 2.373 5.468 1.00 10.63 ? 198 ARG A N 1 ATOM 2797 C CA . ARG A 1 198 ? 45.001 2.405 4.669 1.00 9.80 ? 198 ARG A CA 1 ATOM 2798 C C . ARG A 1 198 ? 43.903 1.701 5.437 1.00 9.53 ? 198 ARG A C 1 ATOM 2799 O O . ARG A 1 198 ? 44.118 0.622 6.000 1.00 9.85 ? 198 ARG A O 1 ATOM 2800 C CB . ARG A 1 198 ? 45.236 1.652 3.363 1.00 10.28 ? 198 ARG A CB 1 ATOM 2801 C CG . ARG A 1 198 ? 46.336 2.292 2.510 1.00 11.15 ? 198 ARG A CG 1 ATOM 2802 C CD . ARG A 1 198 ? 46.953 1.332 1.534 1.00 13.70 ? 198 ARG A CD 1 ATOM 2803 N NE . ARG A 1 198 ? 47.615 0.225 2.202 1.00 14.02 ? 198 ARG A NE 1 ATOM 2804 C CZ . ARG A 1 198 ? 48.292 -0.718 1.557 1.00 14.14 ? 198 ARG A CZ 1 ATOM 2805 N NH1 . ARG A 1 198 ? 48.395 -0.725 0.235 1.00 15.22 ? 198 ARG A NH1 1 ATOM 2806 N NH2 . ARG A 1 198 ? 48.851 -1.689 2.237 1.00 15.65 ? 198 ARG A NH2 1 ATOM 2807 H H . ARG A 1 198 ? 46.514 1.434 5.677 1.00 15.31 ? 198 ARG A H 1 ATOM 2808 H HA . ARG A 1 198 ? 44.734 3.324 4.467 1.00 9.84 ? 198 ARG A HA 1 ATOM 2809 H HB2 . ARG A 1 198 ? 45.504 0.745 3.574 1.00 12.38 ? 198 ARG A HB2 1 ATOM 2810 H HB3 . ARG A 1 198 ? 44.416 1.647 2.845 1.00 12.38 ? 198 ARG A HB3 1 ATOM 2811 H HG2 . ARG A 1 198 ? 45.953 3.025 2.007 1.00 12.37 ? 198 ARG A HG2 1 ATOM 2812 H HG3 . ARG A 1 198 ? 47.043 2.622 3.085 1.00 12.37 ? 198 ARG A HG3 1 ATOM 2813 H HD2 . ARG A 1 198 ? 46.262 0.971 0.958 1.00 12.40 ? 198 ARG A HD2 1 ATOM 2814 H HD3 . ARG A 1 198 ? 47.616 1.805 1.010 1.00 12.40 ? 198 ARG A HD3 1 ATOM 2815 H HE . ARG A 1 198 ? 47.811 0.342 3.144 1.00 12.39 ? 198 ARG A HE 1 ATOM 2816 H HH11 . ARG A 1 198 ? 48.034 -0.105 -0.237 1.00 12.39 ? 198 ARG A HH11 1 ATOM 2817 H HH12 . ARG A 1 198 ? 48.836 -1.350 -0.159 1.00 12.39 ? 198 ARG A HH12 1 ATOM 2818 H HH21 . ARG A 1 198 ? 48.795 -1.706 3.094 1.00 12.39 ? 198 ARG A HH21 1 ATOM 2819 H HH22 . ARG A 1 198 ? 49.290 -2.306 1.830 1.00 12.39 ? 198 ARG A HH22 1 ATOM 2820 N N . TYR A 1 199 ? 42.728 2.310 5.459 1.00 9.12 ? 199 TYR A N 1 ATOM 2821 C CA . TYR A 1 199 ? 41.647 1.884 6.288 1.00 9.01 ? 199 TYR A CA 1 ATOM 2822 C C . TYR A 1 199 ? 40.434 1.576 5.449 1.00 8.73 ? 199 TYR A C 1 ATOM 2823 O O . TYR A 1 199 ? 40.081 2.336 4.558 1.00 9.38 ? 199 TYR A O 1 ATOM 2824 C CB . TYR A 1 199 ? 41.260 3.074 7.228 1.00 9.48 ? 199 TYR A CB 1 ATOM 2825 C CG . TYR A 1 199 ? 42.349 3.372 8.171 1.00 9.82 ? 199 TYR A CG 1 ATOM 2826 C CD1 . TYR A 1 199 ? 42.328 2.837 9.466 1.00 11.57 ? 199 TYR A CD1 1 ATOM 2827 C CD2 . TYR A 1 199 ? 43.469 4.114 7.791 1.00 11.01 ? 199 TYR A CD2 1 ATOM 2828 C CE1 . TYR A 1 199 ? 43.384 3.012 10.336 1.00 11.87 ? 199 TYR A CE1 1 ATOM 2829 C CE2 . TYR A 1 199 ? 44.520 4.266 8.667 1.00 11.05 ? 199 TYR A CE2 1 ATOM 2830 C CZ . TYR A 1 199 ? 44.477 3.702 9.924 1.00 12.04 ? 199 TYR A CZ 1 ATOM 2831 O OH . TYR A 1 199 ? 45.569 3.849 10.728 1.00 14.03 ? 199 TYR A OH 1 ATOM 2832 H H . TYR A 1 199 ? 42.502 3.117 4.895 1.00 9.84 ? 199 TYR A H 1 ATOM 2833 H HA . TYR A 1 199 ? 41.889 1.107 6.832 1.00 9.08 ? 199 TYR A HA 1 ATOM 2834 H HB2 . TYR A 1 199 ? 41.094 3.866 6.693 1.00 9.84 ? 199 TYR A HB2 1 ATOM 2835 H HB3 . TYR A 1 199 ? 40.468 2.838 7.735 1.00 9.84 ? 199 TYR A HB3 1 ATOM 2836 H HD1 . TYR A 1 199 ? 41.604 2.319 9.732 1.00 9.84 ? 199 TYR A HD1 1 ATOM 2837 H HD2 . TYR A 1 199 ? 43.532 4.453 6.928 1.00 10.94 ? 199 TYR A HD2 1 ATOM 2838 H HE1 . TYR A 1 199 ? 43.367 2.622 11.180 1.00 9.84 ? 199 TYR A HE1 1 ATOM 2839 H HE2 . TYR A 1 199 ? 45.276 4.736 8.400 1.00 10.94 ? 199 TYR A HE2 1 ATOM 2840 N N . ARG A 1 200 ? 39.779 0.471 5.766 1.00 8.33 ? 200 ARG A N 1 ATOM 2841 C CA . ARG A 1 200 ? 38.461 0.203 5.204 1.00 8.36 ? 200 ARG A CA 1 ATOM 2842 C C . ARG A 1 200 ? 37.456 0.884 6.081 1.00 8.02 ? 200 ARG A C 1 ATOM 2843 O O . ARG A 1 200 ? 37.036 0.321 7.110 1.00 8.75 ? 200 ARG A O 1 ATOM 2844 C CB . ARG A 1 200 ? 38.158 -1.267 5.151 1.00 8.45 ? 200 ARG A CB 1 ATOM 2845 C CG . ARG A 1 200 ? 36.839 -1.515 4.429 1.00 8.61 ? 200 ARG A CG 1 ATOM 2846 C CD . ARG A 1 200 ? 36.414 -2.905 4.492 1.00 10.42 ? 200 ARG A CD 1 ATOM 2847 N NE . ARG A 1 200 ? 35.180 -3.165 3.806 1.00 8.56 ? 200 ARG A NE 1 ATOM 2848 C CZ . ARG A 1 200 ? 34.992 -4.213 3.038 1.00 8.53 ? 200 ARG A CZ 1 ATOM 2849 N NH1 . ARG A 1 200 ? 35.947 -5.088 2.819 1.00 10.22 ? 200 ARG A NH1 1 ATOM 2850 N NH2 . ARG A 1 200 ? 33.819 -4.432 2.486 1.00 8.64 ? 200 ARG A NH2 1 ATOM 2851 H H . ARG A 1 200 ? 40.120 -0.244 6.393 1.00 9.08 ? 200 ARG A H 1 ATOM 2852 H HA . ARG A 1 200 ? 38.391 0.562 4.295 1.00 10.93 ? 200 ARG A HA 1 ATOM 2853 H HB2 . ARG A 1 200 ? 38.858 -1.716 4.656 1.00 8.71 ? 200 ARG A HB2 1 ATOM 2854 H HB3 . ARG A 1 200 ? 38.098 -1.632 6.048 1.00 8.71 ? 200 ARG A HB3 1 ATOM 2855 H HG2 . ARG A 1 200 ? 36.138 -0.980 4.832 1.00 9.58 ? 200 ARG A HG2 1 ATOM 2856 H HG3 . ARG A 1 200 ? 36.942 -1.276 3.495 1.00 9.58 ? 200 ARG A HG3 1 ATOM 2857 H HD2 . ARG A 1 200 ? 37.123 -3.440 4.114 1.00 9.68 ? 200 ARG A HD2 1 ATOM 2858 H HD3 . ARG A 1 200 ? 36.284 -3.145 5.422 1.00 9.68 ? 200 ARG A HD3 1 ATOM 2859 H HE . ARG A 1 200 ? 34.396 -2.677 4.104 1.00 9.68 ? 200 ARG A HE 1 ATOM 2860 H HH11 . ARG A 1 200 ? 36.723 -5.005 3.170 1.00 9.68 ? 200 ARG A HH11 1 ATOM 2861 H HH12 . ARG A 1 200 ? 35.794 -5.762 2.309 1.00 9.68 ? 200 ARG A HH12 1 ATOM 2862 H HH21 . ARG A 1 200 ? 33.177 -3.872 2.601 1.00 9.68 ? 200 ARG A HH21 1 ATOM 2863 H HH22 . ARG A 1 200 ? 33.702 -5.107 1.965 1.00 9.68 ? 200 ARG A HH22 1 ATOM 2864 N N . MET A 1 201 ? 37.032 2.077 5.699 1.00 7.52 ? 201 MET A N 1 ATOM 2865 C CA . MET A 1 201 ? 35.995 2.771 6.426 1.00 7.40 ? 201 MET A CA 1 ATOM 2866 C C . MET A 1 201 ? 34.664 2.243 5.942 1.00 7.19 ? 201 MET A C 1 ATOM 2867 O O . MET A 1 201 ? 34.370 2.251 4.766 1.00 8.72 ? 201 MET A O 1 ATOM 2868 C CB . MET A 1 201 ? 36.097 4.271 6.213 1.00 8.25 ? 201 MET A CB 1 ATOM 2869 C CG A MET A 1 201 ? 37.372 4.876 6.747 0.50 8.16 ? 201 MET A CG 1 ATOM 2870 C CG B MET A 1 201 ? 37.439 4.883 6.583 0.50 10.44 ? 201 MET A CG 1 ATOM 2871 S SD A MET A 1 201 ? 37.609 4.609 8.510 0.50 8.61 ? 201 MET A SD 1 ATOM 2872 S SD B MET A 1 201 ? 37.958 4.444 8.239 0.50 12.94 ? 201 MET A SD 1 ATOM 2873 C CE A MET A 1 201 ? 39.070 5.617 8.752 0.50 8.78 ? 201 MET A CE 1 ATOM 2874 C CE B MET A 1 201 ? 36.642 5.143 9.247 0.50 9.74 ? 201 MET A CE 1 ATOM 2875 H H . MET A 1 201 ? 37.385 2.577 4.895 1.00 10.93 ? 201 MET A H 1 ATOM 2876 H HA . MET A 1 201 ? 36.088 2.585 7.379 1.00 7.91 ? 201 MET A HA 1 ATOM 2877 H HB2 . MET A 1 201 ? 35.998 4.454 5.266 1.00 10.93 ? 201 MET A HB2 1 ATOM 2878 H HB3 . MET A 1 201 ? 35.381 4.703 6.701 1.00 10.93 ? 201 MET A HB3 1 ATOM 2879 H HG2 A MET A 1 201 ? 38.127 4.483 6.282 0.50 8.23 ? 201 MET A HG2 1 ATOM 2880 H HG2 B MET A 1 201 ? 38.115 4.569 5.962 0.50 10.93 ? 201 MET A HG2 1 ATOM 2881 H HG3 A MET A 1 201 ? 37.352 5.833 6.592 0.50 8.23 ? 201 MET A HG3 1 ATOM 2882 H HG3 B MET A 1 201 ? 37.369 5.849 6.537 0.50 10.93 ? 201 MET A HG3 1 ATOM 2883 H HE1 A MET A 1 201 ? 39.727 5.378 8.094 0.50 9.06 ? 201 MET A HE1 1 ATOM 2884 H HE1 B MET A 1 201 ? 36.627 6.091 9.112 0.50 10.93 ? 201 MET A HE1 1 ATOM 2885 H HE2 A MET A 1 201 ? 39.416 5.459 9.633 0.50 9.06 ? 201 MET A HE2 1 ATOM 2886 H HE2 B MET A 1 201 ? 36.818 4.949 10.171 0.50 10.93 ? 201 MET A HE2 1 ATOM 2887 H HE3 A MET A 1 201 ? 38.831 6.542 8.655 0.50 9.06 ? 201 MET A HE3 1 ATOM 2888 H HE3 B MET A 1 201 ? 35.814 4.747 8.981 0.50 10.93 ? 201 MET A HE3 1 ATOM 2889 N N . ARG A 1 202 ? 33.869 1.785 6.882 1.00 7.03 ? 202 ARG A N 1 ATOM 2890 C CA . ARG A 1 202 ? 32.556 1.238 6.609 1.00 6.68 ? 202 ARG A CA 1 ATOM 2891 C C . ARG A 1 202 ? 31.556 2.268 7.024 1.00 6.58 ? 202 ARG A C 1 ATOM 2892 O O . ARG A 1 202 ? 31.296 2.473 8.213 1.00 7.47 ? 202 ARG A O 1 ATOM 2893 C CB . ARG A 1 202 ? 32.386 -0.075 7.369 1.00 7.36 ? 202 ARG A CB 1 ATOM 2894 C CG . ARG A 1 202 ? 33.303 -1.168 6.881 1.00 7.33 ? 202 ARG A CG 1 ATOM 2895 C CD . ARG A 1 202 ? 33.081 -2.421 7.628 1.00 7.93 ? 202 ARG A CD 1 ATOM 2896 N NE . ARG A 1 202 ? 33.980 -3.518 7.209 1.00 8.11 ? 202 ARG A NE 1 ATOM 2897 C CZ . ARG A 1 202 ? 33.654 -4.527 6.412 1.00 8.03 ? 202 ARG A CZ 1 ATOM 2898 N NH1 . ARG A 1 202 ? 32.464 -4.637 5.882 1.00 7.97 ? 202 ARG A NH1 1 ATOM 2899 N NH2 . ARG A 1 202 ? 34.539 -5.463 6.192 1.00 8.98 ? 202 ARG A NH2 1 ATOM 2900 H H . ARG A 1 202 ? 34.103 1.779 7.864 1.00 7.91 ? 202 ARG A H 1 ATOM 2901 H HA . ARG A 1 202 ? 32.449 1.048 5.654 1.00 9.43 ? 202 ARG A HA 1 ATOM 2902 H HB2 . ARG A 1 202 ? 32.574 0.076 8.309 1.00 7.91 ? 202 ARG A HB2 1 ATOM 2903 H HB3 . ARG A 1 202 ? 31.473 -0.383 7.263 1.00 7.91 ? 202 ARG A HB3 1 ATOM 2904 H HG2 . ARG A 1 202 ? 33.128 -1.340 5.945 1.00 7.58 ? 202 ARG A HG2 1 ATOM 2905 H HG3 . ARG A 1 202 ? 34.226 -0.897 7.008 1.00 7.58 ? 202 ARG A HG3 1 ATOM 2906 H HD2 . ARG A 1 202 ? 33.250 -2.247 8.566 1.00 8.47 ? 202 ARG A HD2 1 ATOM 2907 H HD3 . ARG A 1 202 ? 32.159 -2.696 7.518 1.00 8.47 ? 202 ARG A HD3 1 ATOM 2908 H HE . ARG A 1 202 ? 34.809 -3.597 7.704 1.00 8.47 ? 202 ARG A HE 1 ATOM 2909 H HH11 . ARG A 1 202 ? 31.858 -4.048 6.027 1.00 8.47 ? 202 ARG A HH11 1 ATOM 2910 H HH12 . ARG A 1 202 ? 32.286 -5.302 5.366 1.00 8.47 ? 202 ARG A HH12 1 ATOM 2911 H HH21 . ARG A 1 202 ? 35.328 -5.403 6.526 1.00 8.47 ? 202 ARG A HH21 1 ATOM 2912 H HH22 . ARG A 1 202 ? 34.356 -6.114 5.660 1.00 8.47 ? 202 ARG A HH22 1 ATOM 2913 N N . LEU A 1 203 ? 31.041 2.988 6.026 1.00 6.60 ? 203 LEU A N 1 ATOM 2914 C CA . LEU A 1 203 ? 30.171 4.116 6.213 1.00 6.57 ? 203 LEU A CA 1 ATOM 2915 C C . LEU A 1 203 ? 28.737 3.612 6.182 1.00 6.19 ? 203 LEU A C 1 ATOM 2916 O O . LEU A 1 203 ? 28.277 3.069 5.189 1.00 6.86 ? 203 LEU A O 1 ATOM 2917 C CB . LEU A 1 203 ? 30.394 5.113 5.098 1.00 7.17 ? 203 LEU A CB 1 ATOM 2918 C CG . LEU A 1 203 ? 29.593 6.379 5.176 1.00 7.59 ? 203 LEU A CG 1 ATOM 2919 C CD1 . LEU A 1 203 ? 29.983 7.231 6.389 1.00 8.81 ? 203 LEU A CD1 1 ATOM 2920 C CD2 . LEU A 1 203 ? 29.763 7.184 3.901 1.00 8.11 ? 203 LEU A CD2 1 ATOM 2921 H H . LEU A 1 203 ? 31.221 2.790 5.052 1.00 9.43 ? 203 LEU A H 1 ATOM 2922 H HA . LEU A 1 203 ? 30.357 4.552 7.069 1.00 9.26 ? 203 LEU A HA 1 ATOM 2923 H HB2 . LEU A 1 203 ? 31.330 5.363 5.097 1.00 9.43 ? 203 LEU A HB2 1 ATOM 2924 H HB3 . LEU A 1 203 ? 30.175 4.687 4.255 1.00 9.43 ? 203 LEU A HB3 1 ATOM 2925 H HG . LEU A 1 203 ? 28.652 6.160 5.258 1.00 7.96 ? 203 LEU A HG 1 ATOM 2926 H HD11 . LEU A 1 203 ? 29.653 6.809 7.185 1.00 9.26 ? 203 LEU A HD11 1 ATOM 2927 H HD12 . LEU A 1 203 ? 29.595 8.104 6.297 1.00 9.26 ? 203 LEU A HD12 1 ATOM 2928 H HD13 . LEU A 1 203 ? 30.940 7.301 6.427 1.00 9.26 ? 203 LEU A HD13 1 ATOM 2929 H HD21 . LEU A 1 203 ? 30.690 7.411 3.797 1.00 9.31 ? 203 LEU A HD21 1 ATOM 2930 H HD22 . LEU A 1 203 ? 29.235 7.983 3.963 1.00 9.31 ? 203 LEU A HD22 1 ATOM 2931 H HD23 . LEU A 1 203 ? 29.470 6.655 3.156 1.00 9.31 ? 203 LEU A HD23 1 ATOM 2932 N N . VAL A 1 204 ? 28.022 3.826 7.278 1.00 6.41 ? 204 VAL A N 1 ATOM 2933 C CA . VAL A 1 204 ? 26.698 3.316 7.462 1.00 6.56 ? 204 VAL A CA 1 ATOM 2934 C C . VAL A 1 204 ? 25.779 4.466 7.732 1.00 6.18 ? 204 VAL A C 1 ATOM 2935 O O . VAL A 1 204 ? 25.930 5.146 8.737 1.00 6.79 ? 204 VAL A O 1 ATOM 2936 C CB . VAL A 1 204 ? 26.665 2.344 8.665 1.00 7.80 ? 204 VAL A CB 1 ATOM 2937 C CG1 . VAL A 1 204 ? 25.288 1.707 8.770 1.00 8.40 ? 204 VAL A CG1 1 ATOM 2938 C CG2 . VAL A 1 204 ? 27.694 1.292 8.524 1.00 8.86 ? 204 VAL A CG2 1 ATOM 2939 H H . VAL A 1 204 ? 28.353 4.362 8.068 1.00 9.26 ? 204 VAL A H 1 ATOM 2940 H HA . VAL A 1 204 ? 26.390 2.841 6.664 1.00 7.92 ? 204 VAL A HA 1 ATOM 2941 H HB . VAL A 1 204 ? 26.844 2.836 9.493 1.00 8.70 ? 204 VAL A HB 1 ATOM 2942 H HG11 . VAL A 1 204 ? 24.648 2.372 9.031 1.00 7.92 ? 204 VAL A HG11 1 ATOM 2943 H HG12 . VAL A 1 204 ? 25.313 1.009 9.429 1.00 7.92 ? 204 VAL A HG12 1 ATOM 2944 H HG13 . VAL A 1 204 ? 25.046 1.339 7.917 1.00 7.92 ? 204 VAL A HG13 1 ATOM 2945 H HG21 . VAL A 1 204 ? 27.653 0.933 7.635 1.00 7.92 ? 204 VAL A HG21 1 ATOM 2946 H HG22 . VAL A 1 204 ? 27.528 0.596 9.165 1.00 7.92 ? 204 VAL A HG22 1 ATOM 2947 H HG23 . VAL A 1 204 ? 28.559 1.675 8.682 1.00 7.92 ? 204 VAL A HG23 1 ATOM 2948 N N . SER A 1 205 ? 24.767 4.651 6.883 1.00 6.26 ? 205 SER A N 1 ATOM 2949 C CA . SER A 1 205 ? 23.707 5.543 7.213 1.00 6.47 ? 205 SER A CA 1 ATOM 2950 C C . SER A 1 205 ? 22.677 4.806 8.039 1.00 6.23 ? 205 SER A C 1 ATOM 2951 O O . SER A 1 205 ? 22.019 3.905 7.541 1.00 7.47 ? 205 SER A O 1 ATOM 2952 C CB . SER A 1 205 ? 23.018 6.097 5.996 1.00 6.84 ? 205 SER A CB 1 ATOM 2953 O OG . SER A 1 205 ? 21.854 6.747 6.455 1.00 7.19 ? 205 SER A OG 1 ATOM 2954 H H . SER A 1 205 ? 24.674 4.196 5.986 1.00 7.92 ? 205 SER A H 1 ATOM 2955 H HA . SER A 1 205 ? 24.050 6.303 7.727 1.00 8.56 ? 205 SER A HA 1 ATOM 2956 H HB2 . SER A 1 205 ? 23.598 6.736 5.552 1.00 7.92 ? 205 SER A HB2 1 ATOM 2957 H HB3 . SER A 1 205 ? 22.774 5.376 5.395 1.00 7.92 ? 205 SER A HB3 1 ATOM 2958 N N . ILE A 1 206 ? 22.569 5.215 9.295 1.00 6.31 ? 206 ILE A N 1 ATOM 2959 C CA . ILE A 1 206 ? 21.514 4.721 10.171 1.00 6.40 ? 206 ILE A CA 1 ATOM 2960 C C . ILE A 1 206 ? 20.438 5.780 10.293 1.00 6.63 ? 206 ILE A C 1 ATOM 2961 O O . ILE A 1 206 ? 19.707 5.846 11.265 1.00 7.65 ? 206 ILE A O 1 ATOM 2962 C CB . ILE A 1 206 ? 22.051 4.233 11.502 1.00 7.23 ? 206 ILE A CB 1 ATOM 2963 C CG1 . ILE A 1 206 ? 22.721 5.336 12.321 1.00 7.34 ? 206 ILE A CG1 1 ATOM 2964 C CG2 . ILE A 1 206 ? 23.051 3.110 11.254 1.00 7.55 ? 206 ILE A CG2 1 ATOM 2965 C CD1 . ILE A 1 206 ? 23.225 4.882 13.642 1.00 8.19 ? 206 ILE A CD1 1 ATOM 2966 H H . ILE A 1 206 ? 23.185 5.890 9.723 1.00 8.56 ? 206 ILE A H 1 ATOM 2967 H HA . ILE A 1 206 ? 21.086 3.947 9.750 1.00 8.54 ? 206 ILE A HA 1 ATOM 2968 H HB . ILE A 1 206 ? 21.313 3.873 12.018 1.00 8.32 ? 206 ILE A HB 1 ATOM 2969 H HG12 . ILE A 1 206 ? 23.482 5.680 11.831 1.00 8.56 ? 206 ILE A HG12 1 ATOM 2970 H HG13 . ILE A 1 206 ? 22.084 6.048 12.483 1.00 8.56 ? 206 ILE A HG13 1 ATOM 2971 H HG21 . ILE A 1 206 ? 22.755 2.576 10.513 1.00 8.54 ? 206 ILE A HG21 1 ATOM 2972 H HG22 . ILE A 1 206 ? 23.108 2.564 12.042 1.00 8.54 ? 206 ILE A HG22 1 ATOM 2973 H HG23 . ILE A 1 206 ? 23.910 3.491 11.057 1.00 8.54 ? 206 ILE A HG23 1 ATOM 2974 H HD11 . ILE A 1 206 ? 22.636 4.208 13.988 1.00 8.32 ? 206 ILE A HD11 1 ATOM 2975 H HD12 . ILE A 1 206 ? 23.250 5.632 14.240 1.00 8.32 ? 206 ILE A HD12 1 ATOM 2976 H HD13 . ILE A 1 206 ? 24.107 4.521 13.533 1.00 8.32 ? 206 ILE A HD13 1 ATOM 2977 N N . SER A 1 207 ? 20.299 6.608 9.268 1.00 7.12 ? 207 SER A N 1 ATOM 2978 C CA . SER A 1 207 ? 19.360 7.698 9.275 1.00 7.00 ? 207 SER A CA 1 ATOM 2979 C C . SER A 1 207 ? 17.913 7.213 9.238 1.00 6.86 ? 207 SER A C 1 ATOM 2980 O O . SER A 1 207 ? 17.586 6.262 8.537 1.00 7.41 ? 207 SER A O 1 ATOM 2981 C CB . SER A 1 207 ? 19.625 8.551 8.030 1.00 7.35 ? 207 SER A CB 1 ATOM 2982 O OG . SER A 1 207 ? 18.808 9.685 8.047 1.00 7.78 ? 207 SER A OG 1 ATOM 2983 H H . SER A 1 207 ? 20.817 6.542 8.405 1.00 7.47 ? 207 SER A H 1 ATOM 2984 H HA . SER A 1 207 ? 19.508 8.246 10.070 1.00 7.31 ? 207 SER A HA 1 ATOM 2985 H HB2 . SER A 1 207 ? 20.554 8.828 8.023 1.00 7.47 ? 207 SER A HB2 1 ATOM 2986 H HB3 . SER A 1 207 ? 19.424 8.030 7.237 1.00 7.47 ? 207 SER A HB3 1 ATOM 2987 N N . CYS A 1 208 ? 17.075 7.956 9.945 1.00 7.16 ? 208 CYS A N 1 ATOM 2988 C CA . CYS A 1 208 ? 15.639 7.872 9.785 1.00 7.54 ? 208 CYS A CA 1 ATOM 2989 C C . CYS A 1 208 ? 15.107 8.697 8.661 1.00 7.38 ? 208 CYS A C 1 ATOM 2990 O O . CYS A 1 208 ? 13.939 8.545 8.322 1.00 8.31 ? 208 CYS A O 1 ATOM 2991 C CB . CYS A 1 208 ? 14.915 8.346 11.065 1.00 9.51 ? 208 CYS A CB 1 ATOM 2992 S SG A CYS A 1 208 ? 14.554 6.878 12.109 0.60 7.66 ? 208 CYS A SG 1 ATOM 2993 S SG B CYS A 1 208 ? 15.720 8.128 12.617 0.40 14.62 ? 208 CYS A SG 1 ATOM 2994 H H . CYS A 1 208 ? 17.370 8.612 10.650 1.00 7.31 ? 208 CYS A H 1 ATOM 2995 H HA . CYS A 1 208 ? 15.381 6.942 9.619 1.00 7.82 ? 208 CYS A HA 1 ATOM 2996 N N . ASP A 1 209 ? 15.904 9.585 8.106 1.00 7.17 ? 209 ASP A N 1 ATOM 2997 C CA . ASP A 1 209 ? 15.359 10.520 7.110 1.00 7.54 ? 209 ASP A CA 1 ATOM 2998 C C . ASP A 1 209 ? 16.434 11.105 6.227 1.00 7.50 ? 209 ASP A C 1 ATOM 2999 O O . ASP A 1 209 ? 16.499 10.737 5.061 1.00 8.44 ? 209 ASP A O 1 ATOM 3000 C CB . ASP A 1 209 ? 14.461 11.534 7.772 1.00 8.68 ? 209 ASP A CB 1 ATOM 3001 C CG . ASP A 1 209 ? 13.988 12.617 6.882 1.00 10.92 ? 209 ASP A CG 1 ATOM 3002 O OD1 . ASP A 1 209 ? 14.376 12.721 5.716 1.00 13.32 ? 209 ASP A OD1 1 ATOM 3003 O OD2 . ASP A 1 209 ? 13.182 13.444 7.417 1.00 15.22 ? 209 ASP A OD2 1 ATOM 3004 H H . ASP A 1 209 ? 16.888 9.699 8.295 1.00 8.68 ? 209 ASP A H 1 ATOM 3005 H HA . ASP A 1 209 ? 14.781 10.006 6.511 1.00 8.68 ? 209 ASP A HA 1 ATOM 3006 N N . PRO A 1 210 ? 17.258 12.028 6.704 1.00 7.49 ? 210 PRO A N 1 ATOM 3007 C CA . PRO A 1 210 ? 18.081 12.758 5.761 1.00 7.71 ? 210 PRO A CA 1 ATOM 3008 C C . PRO A 1 210 ? 19.093 11.889 5.076 1.00 7.41 ? 210 PRO A C 1 ATOM 3009 O O . PRO A 1 210 ? 19.584 10.898 5.617 1.00 7.90 ? 210 PRO A O 1 ATOM 3010 C CB . PRO A 1 210 ? 18.770 13.818 6.609 1.00 8.50 ? 210 PRO A CB 1 ATOM 3011 C CG . PRO A 1 210 ? 18.666 13.298 7.976 1.00 9.10 ? 210 PRO A CG 1 ATOM 3012 C CD . PRO A 1 210 ? 17.358 12.618 8.035 1.00 8.27 ? 210 PRO A CD 1 ATOM 3013 H HA . PRO A 1 210 ? 17.508 13.194 5.098 1.00 7.84 ? 210 PRO A HA 1 ATOM 3014 H HB2 . PRO A 1 210 ? 19.699 13.913 6.345 1.00 8.50 ? 210 PRO A HB2 1 ATOM 3015 H HB3 . PRO A 1 210 ? 18.299 14.662 6.525 1.00 8.50 ? 210 PRO A HB3 1 ATOM 3016 H HG2 . PRO A 1 210 ? 19.385 12.669 8.140 1.00 9.13 ? 210 PRO A HG2 1 ATOM 3017 H HG3 . PRO A 1 210 ? 18.700 14.033 8.608 1.00 9.13 ? 210 PRO A HG3 1 ATOM 3018 H HD2 . PRO A 1 210 ? 17.367 11.929 8.712 1.00 8.68 ? 210 PRO A HD2 1 ATOM 3019 H HD3 . PRO A 1 210 ? 16.654 13.268 8.184 1.00 8.68 ? 210 PRO A HD3 1 ATOM 3020 N N . ASN A 1 211 ? 19.405 12.328 3.868 1.00 7.31 ? 211 ASN A N 1 ATOM 3021 C CA . ASN A 1 211 ? 20.622 11.916 3.200 1.00 7.43 ? 211 ASN A CA 1 ATOM 3022 C C . ASN A 1 211 ? 21.717 12.863 3.603 1.00 7.16 ? 211 ASN A C 1 ATOM 3023 O O . ASN A 1 211 ? 21.469 13.990 3.990 1.00 7.88 ? 211 ASN A O 1 ATOM 3024 C CB . ASN A 1 211 ? 20.442 11.786 1.701 1.00 7.87 ? 211 ASN A CB 1 ATOM 3025 C CG . ASN A 1 211 ? 20.228 13.113 0.990 1.00 8.46 ? 211 ASN A CG 1 ATOM 3026 O OD1 . ASN A 1 211 ? 21.176 13.892 0.867 1.00 9.49 ? 211 ASN A OD1 1 ATOM 3027 N ND2 . ASN A 1 211 ? 19.043 13.386 0.512 1.00 8.48 ? 211 ASN A ND2 1 ATOM 3028 H H . ASN A 1 211 ? 18.835 12.964 3.330 1.00 7.84 ? 211 ASN A H 1 ATOM 3029 H HA . ASN A 1 211 ? 20.874 11.028 3.525 1.00 7.37 ? 211 ASN A HA 1 ATOM 3030 H HB2 . ASN A 1 211 ? 21.237 11.377 1.326 1.00 8.36 ? 211 ASN A HB2 1 ATOM 3031 H HB3 . ASN A 1 211 ? 19.672 11.222 1.530 1.00 8.36 ? 211 ASN A HB3 1 ATOM 3032 H HD21 . ASN A 1 211 ? 18.924 14.150 -0.090 1.00 8.36 ? 211 ASN A HD21 1 ATOM 3033 H HD22 . ASN A 1 211 ? 18.272 12.831 0.753 1.00 8.36 ? 211 ASN A HD22 1 ATOM 3034 N N . TYR A 1 212 ? 22.947 12.383 3.520 1.00 6.87 ? 212 TYR A N 1 ATOM 3035 C CA . TYR A 1 212 ? 24.105 13.176 3.910 1.00 7.16 ? 212 TYR A CA 1 ATOM 3036 C C . TYR A 1 212 ? 25.065 13.292 2.764 1.00 7.59 ? 212 TYR A C 1 ATOM 3037 O O . TYR A 1 212 ? 25.346 12.323 2.075 1.00 7.90 ? 212 TYR A O 1 ATOM 3038 C CB . TYR A 1 212 ? 24.851 12.532 5.091 1.00 7.28 ? 212 TYR A CB 1 ATOM 3039 C CG . TYR A 1 212 ? 24.044 12.494 6.334 1.00 7.44 ? 212 TYR A CG 1 ATOM 3040 C CD1 . TYR A 1 212 ? 23.991 13.598 7.174 1.00 7.75 ? 212 TYR A CD1 1 ATOM 3041 C CD2 . TYR A 1 212 ? 23.308 11.389 6.686 1.00 8.11 ? 212 TYR A CD2 1 ATOM 3042 C CE1 . TYR A 1 212 ? 23.176 13.627 8.284 1.00 7.95 ? 212 TYR A CE1 1 ATOM 3043 C CE2 . TYR A 1 212 ? 22.510 11.403 7.801 1.00 8.51 ? 212 TYR A CE2 1 ATOM 3044 C CZ . TYR A 1 212 ? 22.415 12.542 8.569 1.00 7.88 ? 212 TYR A CZ 1 ATOM 3045 O OH . TYR A 1 212 ? 21.582 12.498 9.648 1.00 9.42 ? 212 TYR A OH 1 ATOM 3046 H H . TYR A 1 212 ? 23.176 11.456 3.190 1.00 7.37 ? 212 TYR A H 1 ATOM 3047 H HA . TYR A 1 212 ? 23.825 14.070 4.184 1.00 10.96 ? 212 TYR A HA 1 ATOM 3048 H HB2 . TYR A 1 212 ? 25.085 11.620 4.856 1.00 7.47 ? 212 TYR A HB2 1 ATOM 3049 H HB3 . TYR A 1 212 ? 25.655 13.043 5.274 1.00 7.47 ? 212 TYR A HB3 1 ATOM 3050 H HD1 . TYR A 1 212 ? 24.459 14.367 6.939 1.00 8.67 ? 212 TYR A HD1 1 ATOM 3051 H HD2 . TYR A 1 212 ? 23.316 10.641 6.135 1.00 7.47 ? 212 TYR A HD2 1 ATOM 3052 H HE1 . TYR A 1 212 ? 23.123 14.391 8.811 1.00 8.67 ? 212 TYR A HE1 1 ATOM 3053 H HE2 . TYR A 1 212 ? 21.984 10.665 8.002 1.00 7.47 ? 212 TYR A HE2 1 ATOM 3054 N N . LEU A 1 213 ? 25.651 14.470 2.646 1.00 7.48 ? 213 LEU A N 1 ATOM 3055 C CA . LEU A 1 213 ? 26.810 14.683 1.797 1.00 7.84 ? 213 LEU A CA 1 ATOM 3056 C C . LEU A 1 213 ? 28.014 14.518 2.680 1.00 7.42 ? 213 LEU A C 1 ATOM 3057 O O . LEU A 1 213 ? 28.314 15.353 3.519 1.00 8.01 ? 213 LEU A O 1 ATOM 3058 C CB . LEU A 1 213 ? 26.784 16.048 1.155 1.00 9.06 ? 213 LEU A CB 1 ATOM 3059 C CG . LEU A 1 213 ? 25.583 16.337 0.303 1.00 9.89 ? 213 LEU A CG 1 ATOM 3060 C CD1 . LEU A 1 213 ? 25.625 17.766 -0.173 1.00 15.84 ? 213 LEU A CD1 1 ATOM 3061 C CD2 . LEU A 1 213 ? 25.498 15.434 -0.850 1.00 17.80 ? 213 LEU A CD2 1 ATOM 3062 H H . LEU A 1 213 ? 25.347 15.306 3.124 1.00 10.96 ? 213 LEU A H 1 ATOM 3063 H HA . LEU A 1 213 ? 26.844 14.011 1.087 1.00 11.08 ? 213 LEU A HA 1 ATOM 3064 H HB2 . LEU A 1 213 ? 26.812 16.718 1.854 1.00 10.96 ? 213 LEU A HB2 1 ATOM 3065 H HB3 . LEU A 1 213 ? 27.568 16.135 0.593 1.00 10.95 ? 213 LEU A HB3 1 ATOM 3066 H HG . LEU A 1 213 ? 24.782 16.223 0.834 1.00 10.55 ? 213 LEU A HG 1 ATOM 3067 H HD11 . LEU A 1 213 ? 25.705 18.348 0.587 1.00 11.08 ? 213 LEU A HD11 1 ATOM 3068 H HD12 . LEU A 1 213 ? 24.815 17.962 -0.649 1.00 11.08 ? 213 LEU A HD12 1 ATOM 3069 H HD13 . LEU A 1 213 ? 26.382 17.880 -0.753 1.00 11.08 ? 213 LEU A HD13 1 ATOM 3070 H HD21 . LEU A 1 213 ? 26.345 15.421 -1.302 1.00 11.05 ? 213 LEU A HD21 1 ATOM 3071 H HD22 . LEU A 1 213 ? 24.815 15.750 -1.447 1.00 11.05 ? 213 LEU A HD22 1 ATOM 3072 H HD23 . LEU A 1 213 ? 25.276 14.553 -0.544 1.00 11.05 ? 213 LEU A HD23 1 ATOM 3073 N N . PHE A 1 214 ? 28.676 13.366 2.541 1.00 7.16 ? 214 PHE A N 1 ATOM 3074 C CA . PHE A 1 214 ? 29.749 12.970 3.388 1.00 7.29 ? 214 PHE A CA 1 ATOM 3075 C C . PHE A 1 214 ? 31.085 13.224 2.703 1.00 6.98 ? 214 PHE A C 1 ATOM 3076 O O . PHE A 1 214 ? 31.269 12.836 1.560 1.00 7.58 ? 214 PHE A O 1 ATOM 3077 C CB . PHE A 1 214 ? 29.611 11.474 3.708 1.00 7.51 ? 214 PHE A CB 1 ATOM 3078 C CG . PHE A 1 214 ? 30.681 10.989 4.606 1.00 7.20 ? 214 PHE A CG 1 ATOM 3079 C CD1 . PHE A 1 214 ? 30.599 11.139 5.958 1.00 7.43 ? 214 PHE A CD1 1 ATOM 3080 C CD2 . PHE A 1 214 ? 31.822 10.419 4.080 1.00 8.14 ? 214 PHE A CD2 1 ATOM 3081 C CE1 . PHE A 1 214 ? 31.605 10.723 6.790 1.00 7.79 ? 214 PHE A CE1 1 ATOM 3082 C CE2 . PHE A 1 214 ? 32.849 10.004 4.907 1.00 8.68 ? 214 PHE A CE2 1 ATOM 3083 C CZ . PHE A 1 214 ? 32.733 10.150 6.277 1.00 8.11 ? 214 PHE A CZ 1 ATOM 3084 H H . PHE A 1 214 ? 28.468 12.686 1.824 1.00 11.10 ? 214 PHE A H 1 ATOM 3085 H HA . PHE A 1 214 ? 29.713 13.463 4.230 1.00 7.44 ? 214 PHE A HA 1 ATOM 3086 H HB2 . PHE A 1 214 ? 28.759 11.323 4.147 1.00 11.12 ? 214 PHE A HB2 1 ATOM 3087 H HB3 . PHE A 1 214 ? 29.653 10.966 2.882 1.00 11.12 ? 214 PHE A HB3 1 ATOM 3088 H HD1 . PHE A 1 214 ? 29.840 11.530 6.326 1.00 11.13 ? 214 PHE A HD1 1 ATOM 3089 H HD2 . PHE A 1 214 ? 31.907 10.323 3.158 1.00 11.13 ? 214 PHE A HD2 1 ATOM 3090 H HE1 . PHE A 1 214 ? 31.517 10.826 7.710 1.00 11.13 ? 214 PHE A HE1 1 ATOM 3091 H HE2 . PHE A 1 214 ? 33.608 9.608 4.546 1.00 11.13 ? 214 PHE A HE2 1 ATOM 3092 H HZ . PHE A 1 214 ? 33.413 9.861 6.841 1.00 11.13 ? 214 PHE A HZ 1 ATOM 3093 N N . SER A 1 215 ? 31.991 13.855 3.406 1.00 7.35 ? 215 SER A N 1 ATOM 3094 C CA . SER A 1 215 ? 33.313 14.079 2.891 1.00 7.66 ? 215 SER A CA 1 ATOM 3095 C C . SER A 1 215 ? 34.265 14.211 4.015 1.00 7.89 ? 215 SER A C 1 ATOM 3096 O O . SER A 1 215 ? 33.901 14.335 5.168 1.00 8.28 ? 215 SER A O 1 ATOM 3097 C CB . SER A 1 215 ? 33.336 15.329 2.010 1.00 8.44 ? 215 SER A CB 1 ATOM 3098 O OG . SER A 1 215 ? 33.036 16.483 2.766 1.00 9.06 ? 215 SER A OG 1 ATOM 3099 H H . SER A 1 215 ? 31.838 14.225 4.333 1.00 7.44 ? 215 SER A H 1 ATOM 3100 H HA . SER A 1 215 ? 33.598 13.314 2.348 1.00 8.46 ? 215 SER A HA 1 ATOM 3101 H HB2 . SER A 1 215 ? 34.221 15.426 1.625 1.00 8.53 ? 215 SER A HB2 1 ATOM 3102 H HB3 . SER A 1 215 ? 32.677 15.233 1.306 1.00 8.53 ? 215 SER A HB3 1 ATOM 3103 N N . ILE A 1 216 ? 35.551 14.133 3.668 1.00 7.95 ? 216 ILE A N 1 ATOM 3104 C CA . ILE A 1 216 ? 36.627 14.242 4.636 1.00 8.60 ? 216 ILE A CA 1 ATOM 3105 C C . ILE A 1 216 ? 37.632 15.227 4.081 1.00 8.92 ? 216 ILE A C 1 ATOM 3106 O O . ILE A 1 216 ? 38.201 14.993 3.023 1.00 10.10 ? 216 ILE A O 1 ATOM 3107 C CB . ILE A 1 216 ? 37.300 12.922 4.872 1.00 9.24 ? 216 ILE A CB 1 ATOM 3108 C CG1 . ILE A 1 216 ? 36.299 11.878 5.389 1.00 9.87 ? 216 ILE A CG1 1 ATOM 3109 C CG2 . ILE A 1 216 ? 38.447 13.075 5.832 1.00 9.95 ? 216 ILE A CG2 1 ATOM 3110 C CD1 . ILE A 1 216 ? 36.825 10.521 5.510 1.00 13.09 ? 216 ILE A CD1 1 ATOM 3111 H H . ILE A 1 216 ? 35.870 13.991 2.720 1.00 8.46 ? 216 ILE A H 1 ATOM 3112 H HA . ILE A 1 216 ? 36.290 14.578 5.492 1.00 10.80 ? 216 ILE A HA 1 ATOM 3113 H HB . ILE A 1 216 ? 37.654 12.605 4.026 1.00 10.78 ? 216 ILE A HB 1 ATOM 3114 H HG12 . ILE A 1 216 ? 35.992 12.153 6.267 1.00 10.77 ? 216 ILE A HG12 1 ATOM 3115 H HG13 . ILE A 1 216 ? 35.546 11.834 4.781 1.00 10.77 ? 216 ILE A HG13 1 ATOM 3116 H HG21 . ILE A 1 216 ? 39.219 13.389 5.355 1.00 10.79 ? 216 ILE A HG21 1 ATOM 3117 H HG22 . ILE A 1 216 ? 38.647 12.228 6.235 1.00 10.79 ? 216 ILE A HG22 1 ATOM 3118 H HG23 . ILE A 1 216 ? 38.207 13.707 6.514 1.00 10.79 ? 216 ILE A HG23 1 ATOM 3119 H HD11 . ILE A 1 216 ? 37.538 10.400 4.879 1.00 10.78 ? 216 ILE A HD11 1 ATOM 3120 H HD12 . ILE A 1 216 ? 36.118 9.897 5.329 1.00 10.78 ? 216 ILE A HD12 1 ATOM 3121 H HD13 . ILE A 1 216 ? 37.152 10.392 6.403 1.00 10.78 ? 216 ILE A HD13 1 ATOM 3122 N N . ASP A 1 217 ? 37.772 16.362 4.727 1.00 9.18 ? 217 ASP A N 1 ATOM 3123 C CA . ASP A 1 217 ? 38.640 17.420 4.171 1.00 9.38 ? 217 ASP A CA 1 ATOM 3124 C C . ASP A 1 217 ? 40.003 16.830 3.884 1.00 10.19 ? 217 ASP A C 1 ATOM 3125 O O . ASP A 1 217 ? 40.555 16.089 4.672 1.00 10.22 ? 217 ASP A O 1 ATOM 3126 C CB . ASP A 1 217 ? 38.782 18.553 5.158 1.00 9.85 ? 217 ASP A CB 1 ATOM 3127 C CG . ASP A 1 217 ? 37.545 19.385 5.342 1.00 9.50 ? 217 ASP A CG 1 ATOM 3128 O OD1 . ASP A 1 217 ? 36.556 19.194 4.650 1.00 10.32 ? 217 ASP A OD1 1 ATOM 3129 O OD2 . ASP A 1 217 ? 37.619 20.295 6.220 1.00 9.94 ? 217 ASP A OD2 1 ATOM 3130 H H . ASP A 1 217 ? 37.326 16.587 5.605 1.00 10.81 ? 217 ASP A H 1 ATOM 3131 H HA . ASP A 1 217 ? 38.254 17.764 3.339 1.00 10.35 ? 217 ASP A HA 1 ATOM 3132 H HB2 . ASP A 1 217 ? 39.020 18.184 6.023 1.00 10.81 ? 217 ASP A HB2 1 ATOM 3133 H HB3 . ASP A 1 217 ? 39.487 19.146 4.854 1.00 10.82 ? 217 ASP A HB3 1 ATOM 3134 N N . GLY A 1 218 ? 40.536 17.188 2.739 1.00 11.19 ? 218 GLY A N 1 ATOM 3135 C CA . GLY A 1 218 ? 41.886 16.799 2.393 1.00 12.78 ? 218 GLY A CA 1 ATOM 3136 C C . GLY A 1 218 ? 42.021 15.432 1.827 1.00 12.70 ? 218 GLY A C 1 ATOM 3137 O O . GLY A 1 218 ? 43.108 15.091 1.371 1.00 13.62 ? 218 GLY A O 1 ATOM 3138 H H . GLY A 1 218 ? 40.073 17.740 2.031 1.00 10.35 ? 218 GLY A H 1 ATOM 3139 H HA2 . GLY A 1 218 ? 42.227 17.424 1.734 1.00 12.18 ? 218 GLY A HA2 1 ATOM 3140 H HA3 . GLY A 1 218 ? 42.455 16.859 3.176 1.00 12.18 ? 218 GLY A HA3 1 ATOM 3141 N N . HIS A 1 219 ? 40.965 14.621 1.908 1.00 10.97 ? 219 HIS A N 1 ATOM 3142 C CA . HIS A 1 219 ? 41.073 13.207 1.606 1.00 11.21 ? 219 HIS A CA 1 ATOM 3143 C C A HIS A 1 219 ? 40.133 12.864 0.500 0.50 9.65 ? 219 HIS A C 1 ATOM 3144 C C B HIS A 1 219 ? 40.039 12.618 0.676 0.50 14.06 ? 219 HIS A C 1 ATOM 3145 O O A HIS A 1 219 ? 39.139 13.586 0.259 0.50 9.58 ? 219 HIS A O 1 ATOM 3146 O O B HIS A 1 219 ? 38.838 12.705 0.873 0.50 19.65 ? 219 HIS A O 1 ATOM 3147 C CB . HIS A 1 219 ? 40.858 12.360 2.873 1.00 10.54 ? 219 HIS A CB 1 ATOM 3148 C CG . HIS A 1 219 ? 41.922 12.549 3.914 1.00 10.45 ? 219 HIS A CG 1 ATOM 3149 N ND1 . HIS A 1 219 ? 42.052 13.676 4.678 1.00 10.28 ? 219 HIS A ND1 1 ATOM 3150 C CD2 . HIS A 1 219 ? 42.887 11.705 4.336 1.00 10.86 ? 219 HIS A CD2 1 ATOM 3151 C CE1 . HIS A 1 219 ? 43.092 13.535 5.488 1.00 10.56 ? 219 HIS A CE1 1 ATOM 3152 N NE2 . HIS A 1 219 ? 43.626 12.355 5.299 1.00 10.59 ? 219 HIS A NE2 1 ATOM 3153 H H . HIS A 1 219 ? 40.028 14.900 2.158 1.00 11.24 ? 219 HIS A H 1 ATOM 3154 H HA . HIS A 1 219 ? 41.975 13.008 1.278 1.00 9.96 ? 219 HIS A HA 1 ATOM 3155 H HB2 . HIS A 1 219 ? 40.009 12.602 3.273 1.00 10.80 ? 219 HIS A HB2 1 ATOM 3156 H HB3 . HIS A 1 219 ? 40.853 11.419 2.632 1.00 10.80 ? 219 HIS A HB3 1 ATOM 3157 H HD1 . HIS A 1 219 ? 41.563 14.381 4.614 1.00 10.73 ? 219 HIS A HD1 1 ATOM 3158 H HD2 . HIS A 1 219 ? 43.058 10.857 3.995 1.00 10.73 ? 219 HIS A HD2 1 ATOM 3159 H HE1 . HIS A 1 219 ? 43.388 14.166 6.101 1.00 10.73 ? 219 HIS A HE1 1 ATOM 3160 H HE2 . HIS A 1 219 ? 44.294 12.028 5.726 1.00 10.73 ? 219 HIS A HE2 1 ATOM 3161 N N . ASP A 1 220 ? 40.517 11.792 -0.210 1.00 10.71 ? 220 ASP A N 1 ATOM 3162 C CA . ASP A 1 220 ? 39.619 11.108 -1.126 1.00 11.57 ? 220 ASP A CA 1 ATOM 3163 C C . ASP A 1 220 ? 39.184 9.791 -0.509 1.00 9.81 ? 220 ASP A C 1 ATOM 3164 O O . ASP A 1 220 ? 39.700 9.367 0.510 1.00 11.12 ? 220 ASP A O 1 ATOM 3165 C CB A ASP A 1 220 ? 40.025 11.135 -2.573 0.50 13.54 ? 220 ASP A CB 1 ATOM 3166 C CB B ASP A 1 220 ? 40.478 10.717 -2.372 0.50 14.55 ? 220 ASP A CB 1 ATOM 3167 C CG A ASP A 1 220 ? 41.218 10.428 -2.790 0.50 15.28 ? 220 ASP A CG 1 ATOM 3168 C CG B ASP A 1 220 ? 40.669 11.853 -3.377 0.50 17.21 ? 220 ASP A CG 1 ATOM 3169 O OD1 A ASP A 1 220 ? 41.588 9.665 -1.906 0.50 15.30 ? 220 ASP A OD1 1 ATOM 3170 O OD1 B ASP A 1 220 ? 40.011 12.900 -3.294 0.50 18.31 ? 220 ASP A OD1 1 ATOM 3171 O OD2 A ASP A 1 220 ? 41.803 10.634 -3.845 0.50 20.02 ? 220 ASP A OD2 1 ATOM 3172 O OD2 B ASP A 1 220 ? 41.441 11.639 -4.301 0.50 23.28 ? 220 ASP A OD2 1 ATOM 3173 H H . ASP A 1 220 ? 41.473 11.472 -0.239 1.00 9.95 ? 220 ASP A H 1 ATOM 3174 H HA . ASP A 1 220 ? 38.799 11.629 -1.254 1.00 10.98 ? 220 ASP A HA 1 ATOM 3175 H HB2 A ASP A 1 220 ? 39.329 10.731 -3.113 0.50 11.02 ? 220 ASP A HB2 1 ATOM 3176 H HB2 B ASP A 1 220 ? 41.355 10.424 -2.084 0.50 9.95 ? 220 ASP A HB2 1 ATOM 3177 H HB3 A ASP A 1 220 ? 40.166 12.055 -2.845 0.50 11.02 ? 220 ASP A HB3 1 ATOM 3178 H HB3 B ASP A 1 220 ? 40.036 9.994 -2.844 0.50 9.95 ? 220 ASP A HB3 1 ATOM 3179 N N . MET A 1 221 ? 38.195 9.193 -1.128 1.00 8.61 ? 221 MET A N 1 ATOM 3180 C CA . MET A 1 221 ? 37.585 7.979 -0.614 1.00 8.53 ? 221 MET A CA 1 ATOM 3181 C C . MET A 1 221 ? 37.406 7.027 -1.774 1.00 8.83 ? 221 MET A C 1 ATOM 3182 O O . MET A 1 221 ? 36.795 7.369 -2.758 1.00 9.95 ? 221 MET A O 1 ATOM 3183 C CB . MET A 1 221 ? 36.220 8.328 -0.041 1.00 8.80 ? 221 MET A CB 1 ATOM 3184 C CG . MET A 1 221 ? 36.304 9.281 1.113 1.00 8.48 ? 221 MET A CG 1 ATOM 3185 S SD . MET A 1 221 ? 34.719 9.781 1.773 1.00 9.75 ? 221 MET A SD 1 ATOM 3186 C CE . MET A 1 221 ? 34.153 10.916 0.531 1.00 9.90 ? 221 MET A CE 1 ATOM 3187 H H . MET A 1 221 ? 37.778 9.523 -1.987 1.00 11.02 ? 221 MET A H 1 ATOM 3188 H HA . MET A 1 221 ? 38.134 7.566 0.085 1.00 8.58 ? 221 MET A HA 1 ATOM 3189 H HB2 . MET A 1 221 ? 35.685 8.745 -0.733 1.00 9.88 ? 221 MET A HB2 1 ATOM 3190 H HB3 . MET A 1 221 ? 35.788 7.517 0.267 1.00 9.88 ? 221 MET A HB3 1 ATOM 3191 H HG2 . MET A 1 221 ? 36.808 8.863 1.828 1.00 8.73 ? 221 MET A HG2 1 ATOM 3192 H HG3 . MET A 1 221 ? 36.756 10.088 0.825 1.00 8.73 ? 221 MET A HG3 1 ATOM 3193 H HE1 . MET A 1 221 ? 34.783 11.637 0.456 1.00 9.88 ? 221 MET A HE1 1 ATOM 3194 H HE2 . MET A 1 221 ? 33.294 11.258 0.789 1.00 9.88 ? 221 MET A HE2 1 ATOM 3195 H HE3 . MET A 1 221 ? 34.083 10.453 -0.307 1.00 9.88 ? 221 MET A HE3 1 ATOM 3196 N N . THR A 1 222 ? 37.967 5.826 -1.672 1.00 7.83 ? 222 THR A N 1 ATOM 3197 C CA . THR A 1 222 ? 37.881 4.880 -2.766 1.00 7.70 ? 222 THR A CA 1 ATOM 3198 C C . THR A 1 222 ? 36.857 3.813 -2.422 1.00 7.68 ? 222 THR A C 1 ATOM 3199 O O . THR A 1 222 ? 37.097 2.943 -1.599 1.00 7.75 ? 222 THR A O 1 ATOM 3200 C CB . THR A 1 222 ? 39.228 4.268 -3.089 1.00 8.80 ? 222 THR A CB 1 ATOM 3201 O OG1 . THR A 1 222 ? 40.126 5.334 -3.432 1.00 10.42 ? 222 THR A OG1 1 ATOM 3202 C CG2 . THR A 1 222 ? 39.119 3.305 -4.260 1.00 9.94 ? 222 THR A CG2 1 ATOM 3203 H H . THR A 1 222 ? 38.473 5.488 -0.866 1.00 8.58 ? 222 THR A H 1 ATOM 3204 H HA . THR A 1 222 ? 37.581 5.336 -3.576 1.00 9.83 ? 222 THR A HA 1 ATOM 3205 H HB . THR A 1 222 ? 39.566 3.788 -2.319 1.00 11.06 ? 222 THR A HB 1 ATOM 3206 H HG21 . THR A 1 222 ? 38.882 2.429 -3.945 1.00 9.86 ? 222 THR A HG21 1 ATOM 3207 H HG22 . THR A 1 222 ? 39.961 3.251 -4.717 1.00 9.86 ? 222 THR A HG22 1 ATOM 3208 H HG23 . THR A 1 222 ? 38.450 3.605 -4.879 1.00 9.86 ? 222 THR A HG23 1 ATOM 3209 N N . ILE A 1 223 ? 35.697 3.922 -3.029 1.00 7.64 ? 223 ILE A N 1 ATOM 3210 C CA . ILE A 1 223 ? 34.590 3.038 -2.728 1.00 7.09 ? 223 ILE A CA 1 ATOM 3211 C C . ILE A 1 223 ? 34.913 1.632 -3.243 1.00 7.17 ? 223 ILE A C 1 ATOM 3212 O O . ILE A 1 223 ? 35.325 1.466 -4.386 1.00 8.10 ? 223 ILE A O 1 ATOM 3213 C CB . ILE A 1 223 ? 33.308 3.547 -3.320 1.00 7.27 ? 223 ILE A CB 1 ATOM 3214 C CG1 . ILE A 1 223 ? 32.923 4.877 -2.661 1.00 8.24 ? 223 ILE A CG1 1 ATOM 3215 C CG2 . ILE A 1 223 ? 32.179 2.545 -3.192 1.00 7.43 ? 223 ILE A CG2 1 ATOM 3216 C CD1 . ILE A 1 223 ? 31.829 5.628 -3.356 1.00 9.20 ? 223 ILE A CD1 1 ATOM 3217 H H . ILE A 1 223 ? 35.498 4.607 -3.743 1.00 9.78 ? 223 ILE A H 1 ATOM 3218 H HA . ILE A 1 223 ? 34.473 3.003 -1.757 1.00 9.56 ? 223 ILE A HA 1 ATOM 3219 H HB . ILE A 1 223 ? 33.454 3.708 -4.265 1.00 9.73 ? 223 ILE A HB 1 ATOM 3220 H HG12 . ILE A 1 223 ? 32.621 4.695 -1.757 1.00 9.78 ? 223 ILE A HG12 1 ATOM 3221 H HG13 . ILE A 1 223 ? 33.697 5.459 -2.632 1.00 9.78 ? 223 ILE A HG13 1 ATOM 3222 H HG21 . ILE A 1 223 ? 32.255 1.892 -3.891 1.00 9.60 ? 223 ILE A HG21 1 ATOM 3223 H HG22 . ILE A 1 223 ? 31.337 2.998 -3.270 1.00 9.61 ? 223 ILE A HG22 1 ATOM 3224 H HG23 . ILE A 1 223 ? 32.235 2.117 -2.334 1.00 9.60 ? 223 ILE A HG23 1 ATOM 3225 H HD11 . ILE A 1 223 ? 31.888 5.468 -4.301 1.00 9.68 ? 223 ILE A HD11 1 ATOM 3226 H HD12 . ILE A 1 223 ? 31.933 6.565 -3.177 1.00 9.68 ? 223 ILE A HD12 1 ATOM 3227 H HD13 . ILE A 1 223 ? 30.981 5.325 -3.024 1.00 9.68 ? 223 ILE A HD13 1 ATOM 3228 N N . ILE A 1 224 ? 34.684 0.658 -2.377 1.00 7.03 ? 224 ILE A N 1 ATOM 3229 C CA . ILE A 1 224 ? 34.916 -0.730 -2.668 1.00 7.09 ? 224 ILE A CA 1 ATOM 3230 C C . ILE A 1 224 ? 33.736 -1.630 -2.335 1.00 7.04 ? 224 ILE A C 1 ATOM 3231 O O . ILE A 1 224 ? 33.790 -2.821 -2.605 1.00 7.23 ? 224 ILE A O 1 ATOM 3232 C CB . ILE A 1 224 ? 36.188 -1.242 -1.970 1.00 7.59 ? 224 ILE A CB 1 ATOM 3233 C CG1 . ILE A 1 224 ? 36.071 -1.104 -0.484 1.00 8.90 ? 224 ILE A CG1 1 ATOM 3234 C CG2 . ILE A 1 224 ? 37.389 -0.545 -2.544 1.00 8.89 ? 224 ILE A CG2 1 ATOM 3235 C CD1 . ILE A 1 224 ? 37.072 -1.895 0.285 1.00 9.66 ? 224 ILE A CD1 1 ATOM 3236 H H . ILE A 1 224 ? 34.360 0.824 -1.435 1.00 9.56 ? 224 ILE A H 1 ATOM 3237 H HA . ILE A 1 224 ? 35.065 -0.829 -3.631 1.00 9.48 ? 224 ILE A HA 1 ATOM 3238 H HB . ILE A 1 224 ? 36.280 -2.186 -2.172 1.00 9.58 ? 224 ILE A HB 1 ATOM 3239 H HG12 . ILE A 1 224 ? 36.193 -0.171 -0.250 1.00 9.53 ? 224 ILE A HG12 1 ATOM 3240 H HG13 . ILE A 1 224 ? 35.193 -1.398 -0.197 1.00 9.53 ? 224 ILE A HG13 1 ATOM 3241 H HG21 . ILE A 1 224 ? 37.360 -0.601 -3.501 1.00 9.48 ? 224 ILE A HG21 1 ATOM 3242 H HG22 . ILE A 1 224 ? 38.182 -0.974 -2.216 1.00 9.48 ? 224 ILE A HG22 1 ATOM 3243 H HG23 . ILE A 1 224 ? 37.379 0.374 -2.268 1.00 9.48 ? 224 ILE A HG23 1 ATOM 3244 H HD11 . ILE A 1 224 ? 37.055 -2.805 -0.021 1.00 9.58 ? 224 ILE A HD11 1 ATOM 3245 H HD12 . ILE A 1 224 ? 36.848 -1.859 1.217 1.00 9.58 ? 224 ILE A HD12 1 ATOM 3246 H HD13 . ILE A 1 224 ? 37.944 -1.518 0.143 1.00 9.58 ? 224 ILE A HD13 1 ATOM 3247 N N . GLU A 1 225 ? 32.687 -1.066 -1.755 1.00 6.88 ? 225 GLU A N 1 ATOM 3248 C CA . GLU A 1 225 ? 31.520 -1.839 -1.372 1.00 6.51 ? 225 GLU A CA 1 ATOM 3249 C C . GLU A 1 225 ? 30.332 -0.910 -1.355 1.00 6.36 ? 225 GLU A C 1 ATOM 3250 O O . GLU A 1 225 ? 30.454 0.208 -0.882 1.00 6.67 ? 225 GLU A O 1 ATOM 3251 C CB . GLU A 1 225 ? 31.688 -2.453 0.025 1.00 7.13 ? 225 GLU A CB 1 ATOM 3252 C CG . GLU A 1 225 ? 30.538 -3.349 0.464 1.00 7.61 ? 225 GLU A CG 1 ATOM 3253 C CD . GLU A 1 225 ? 30.234 -3.299 1.930 1.00 7.43 ? 225 GLU A CD 1 ATOM 3254 O OE1 . GLU A 1 225 ? 29.068 -3.517 2.288 1.00 7.85 ? 225 GLU A OE1 1 ATOM 3255 O OE2 . GLU A 1 225 ? 31.160 -3.031 2.767 1.00 7.48 ? 225 GLU A OE2 1 ATOM 3256 H H . GLU A 1 225 ? 32.598 -0.085 -1.538 1.00 9.58 ? 225 GLU A H 1 ATOM 3257 H HA . GLU A 1 225 ? 31.363 -2.556 -2.018 1.00 7.70 ? 225 GLU A HA 1 ATOM 3258 H HB2 . GLU A 1 225 ? 32.499 -2.984 0.038 1.00 7.33 ? 225 GLU A HB2 1 ATOM 3259 H HB3 . GLU A 1 225 ? 31.758 -1.734 0.665 1.00 7.33 ? 225 GLU A HB3 1 ATOM 3260 H HG2 . GLU A 1 225 ? 29.730 -3.101 -0.006 1.00 7.70 ? 225 GLU A HG2 1 ATOM 3261 H HG3 . GLU A 1 225 ? 30.766 -4.264 0.244 1.00 7.70 ? 225 GLU A HG3 1 ATOM 3262 N N . VAL A 1 226 ? 29.198 -1.421 -1.819 1.00 6.16 ? 226 VAL A N 1 ATOM 3263 C CA . VAL A 1 226 ? 27.958 -0.672 -1.872 1.00 6.11 ? 226 VAL A CA 1 ATOM 3264 C C . VAL A 1 226 ? 26.867 -1.570 -1.324 1.00 6.14 ? 226 VAL A C 1 ATOM 3265 O O . VAL A 1 226 ? 26.572 -2.585 -1.924 1.00 6.35 ? 226 VAL A O 1 ATOM 3266 C CB . VAL A 1 226 ? 27.631 -0.307 -3.326 1.00 6.39 ? 226 VAL A CB 1 ATOM 3267 C CG1 . VAL A 1 226 ? 26.356 0.504 -3.385 1.00 6.86 ? 226 VAL A CG1 1 ATOM 3268 C CG2 . VAL A 1 226 ? 28.772 0.442 -3.981 1.00 7.09 ? 226 VAL A CG2 1 ATOM 3269 H H . VAL A 1 226 ? 29.110 -2.363 -2.173 1.00 7.70 ? 226 VAL A H 1 ATOM 3270 H HA . VAL A 1 226 ? 28.010 0.145 -1.334 1.00 8.76 ? 226 VAL A HA 1 ATOM 3271 H HB . VAL A 1 226 ? 27.487 -1.129 -3.839 1.00 6.56 ? 226 VAL A HB 1 ATOM 3272 H HG11 . VAL A 1 226 ? 25.603 -0.091 -3.343 1.00 8.76 ? 226 VAL A HG11 1 ATOM 3273 H HG12 . VAL A 1 226 ? 26.330 0.996 -4.209 1.00 8.76 ? 226 VAL A HG12 1 ATOM 3274 H HG13 . VAL A 1 226 ? 26.333 1.113 -2.643 1.00 8.76 ? 226 VAL A HG13 1 ATOM 3275 H HG21 . VAL A 1 226 ? 29.009 1.193 -3.431 1.00 8.81 ? 226 VAL A HG21 1 ATOM 3276 H HG22 . VAL A 1 226 ? 28.493 0.746 -4.848 1.00 8.81 ? 226 VAL A HG22 1 ATOM 3277 H HG23 . VAL A 1 226 ? 29.524 -0.146 -4.073 1.00 8.81 ? 226 VAL A HG23 1 ATOM 3278 N N . ASP A 1 227 ? 26.310 -1.227 -0.166 1.00 5.97 ? 227 ASP A N 1 ATOM 3279 C CA . ASP A 1 227 ? 25.225 -2.010 0.408 1.00 6.08 ? 227 ASP A CA 1 ATOM 3280 C C . ASP A 1 227 ? 25.510 -3.506 0.373 1.00 6.40 ? 227 ASP A C 1 ATOM 3281 O O . ASP A 1 227 ? 24.671 -4.303 -0.005 1.00 6.92 ? 227 ASP A O 1 ATOM 3282 C CB . ASP A 1 227 ? 23.878 -1.769 -0.269 1.00 6.36 ? 227 ASP A CB 1 ATOM 3283 C CG . ASP A 1 227 ? 23.320 -0.379 -0.244 1.00 6.06 ? 227 ASP A CG 1 ATOM 3284 O OD1 . ASP A 1 227 ? 22.217 -0.215 -0.828 1.00 6.16 ? 227 ASP A OD1 1 ATOM 3285 O OD2 . ASP A 1 227 ? 23.954 0.559 0.289 1.00 6.46 ? 227 ASP A OD2 1 ATOM 3286 H H . ASP A 1 227 ? 26.582 -0.430 0.389 1.00 8.76 ? 227 ASP A H 1 ATOM 3287 H HA . ASP A 1 227 ? 25.129 -1.753 1.349 1.00 6.37 ? 227 ASP A HA 1 ATOM 3288 H HB2 . ASP A 1 227 ? 23.962 -2.029 -1.198 1.00 6.64 ? 227 ASP A HB2 1 ATOM 3289 H HB3 . ASP A 1 227 ? 23.216 -2.331 0.162 1.00 6.64 ? 227 ASP A HB3 1 ATOM 3290 N N . GLY A 1 228 ? 26.701 -3.909 0.806 1.00 6.74 ? 228 GLY A N 1 ATOM 3291 C CA . GLY A 1 228 ? 27.059 -5.315 0.828 1.00 7.56 ? 228 GLY A CA 1 ATOM 3292 C C . GLY A 1 228 ? 27.621 -5.882 -0.448 1.00 7.66 ? 228 GLY A C 1 ATOM 3293 O O . GLY A 1 228 ? 28.074 -7.020 -0.429 1.00 10.61 ? 228 GLY A O 1 ATOM 3294 H H . GLY A 1 228 ? 27.426 -3.293 1.144 1.00 7.04 ? 228 GLY A H 1 ATOM 3295 H HA2 . GLY A 1 228 ? 27.720 -5.455 1.520 1.00 7.72 ? 228 GLY A HA2 1 ATOM 3296 H HA3 . GLY A 1 228 ? 26.280 -5.842 1.066 1.00 7.72 ? 228 GLY A HA3 1 ATOM 3297 N N . VAL A 1 229 ? 27.632 -5.128 -1.505 1.00 6.77 ? 229 VAL A N 1 ATOM 3298 C CA . VAL A 1 229 ? 28.094 -5.628 -2.803 1.00 7.69 ? 229 VAL A CA 1 ATOM 3299 C C . VAL A 1 229 ? 29.454 -5.034 -3.098 1.00 7.46 ? 229 VAL A C 1 ATOM 3300 O O . VAL A 1 229 ? 29.630 -3.829 -3.189 1.00 7.89 ? 229 VAL A O 1 ATOM 3301 C CB . VAL A 1 229 ? 27.090 -5.246 -3.882 1.00 7.58 ? 229 VAL A CB 1 ATOM 3302 C CG1 . VAL A 1 229 ? 27.564 -5.694 -5.244 1.00 9.67 ? 229 VAL A CG1 1 ATOM 3303 C CG2 . VAL A 1 229 ? 25.734 -5.880 -3.562 1.00 8.62 ? 229 VAL A CG2 1 ATOM 3304 H H . VAL A 1 229 ? 27.341 -4.166 -1.536 1.00 7.55 ? 229 VAL A H 1 ATOM 3305 H HA . VAL A 1 229 ? 28.165 -6.605 -2.791 1.00 9.11 ? 229 VAL A HA 1 ATOM 3306 H HB . VAL A 1 229 ? 26.982 -4.272 -3.900 1.00 7.55 ? 229 VAL A HB 1 ATOM 3307 H HG11 . VAL A 1 229 ? 28.169 -5.037 -5.597 1.00 9.11 ? 229 VAL A HG11 1 ATOM 3308 H HG12 . VAL A 1 229 ? 26.811 -5.784 -5.831 1.00 9.11 ? 229 VAL A HG12 1 ATOM 3309 H HG13 . VAL A 1 229 ? 28.013 -6.539 -5.160 1.00 9.11 ? 229 VAL A HG13 1 ATOM 3310 H HG21 . VAL A 1 229 ? 25.858 -6.817 -3.399 1.00 9.11 ? 229 VAL A HG21 1 ATOM 3311 H HG22 . VAL A 1 229 ? 25.142 -5.753 -4.307 1.00 9.11 ? 229 VAL A HG22 1 ATOM 3312 H HG23 . VAL A 1 229 ? 25.365 -5.458 -2.783 1.00 9.11 ? 229 VAL A HG23 1 ATOM 3313 N N . ASN A 1 230 ? 30.425 -5.908 -3.312 1.00 7.18 ? 230 ASN A N 1 ATOM 3314 C CA . ASN A 1 230 ? 31.736 -5.432 -3.663 1.00 7.51 ? 230 ASN A CA 1 ATOM 3315 C C . ASN A 1 230 ? 31.688 -4.683 -4.953 1.00 7.57 ? 230 ASN A C 1 ATOM 3316 O O . ASN A 1 230 ? 31.075 -5.148 -5.903 1.00 8.03 ? 230 ASN A O 1 ATOM 3317 C CB . ASN A 1 230 ? 32.677 -6.618 -3.779 1.00 8.24 ? 230 ASN A CB 1 ATOM 3318 C CG . ASN A 1 230 ? 32.884 -7.313 -2.485 1.00 8.60 ? 230 ASN A CG 1 ATOM 3319 O OD1 . ASN A 1 230 ? 32.768 -6.698 -1.416 1.00 9.08 ? 230 ASN A OD1 1 ATOM 3320 N ND2 . ASN A 1 230 ? 33.281 -8.561 -2.550 1.00 9.57 ? 230 ASN A ND2 1 ATOM 3321 H H . ASN A 1 230 ? 30.323 -6.912 -3.257 1.00 9.11 ? 230 ASN A H 1 ATOM 3322 H HA . ASN A 1 230 ? 32.068 -4.834 -2.962 1.00 7.80 ? 230 ASN A HA 1 ATOM 3323 H HB2 . ASN A 1 230 ? 32.307 -7.255 -4.411 1.00 9.11 ? 230 ASN A HB2 1 ATOM 3324 H HB3 . ASN A 1 230 ? 33.541 -6.307 -4.091 1.00 9.11 ? 230 ASN A HB3 1 ATOM 3325 H HD21 . ASN A 1 230 ? 33.264 -9.121 -1.746 1.00 9.11 ? 230 ASN A HD21 1 ATOM 3326 H HD22 . ASN A 1 230 ? 33.594 -8.936 -3.399 1.00 9.11 ? 230 ASN A HD22 1 ATOM 3327 N N . SER A 1 231 ? 32.398 -3.553 -5.004 1.00 7.72 ? 231 SER A N 1 ATOM 3328 C CA . SER A 1 231 ? 32.441 -2.764 -6.200 1.00 7.65 ? 231 SER A CA 1 ATOM 3329 C C . SER A 1 231 ? 33.864 -2.692 -6.730 1.00 7.65 ? 231 SER A C 1 ATOM 3330 O O . SER A 1 231 ? 34.822 -2.867 -5.978 1.00 8.76 ? 231 SER A O 1 ATOM 3331 C CB . SER A 1 231 ? 31.957 -1.333 -5.937 1.00 7.78 ? 231 SER A CB 1 ATOM 3332 O OG . SER A 1 231 ? 32.820 -0.596 -5.095 1.00 8.23 ? 231 SER A OG 1 ATOM 3333 H H . SER A 1 231 ? 32.946 -3.183 -4.245 1.00 7.80 ? 231 SER A H 1 ATOM 3334 H HA . SER A 1 231 ? 31.871 -3.156 -6.893 1.00 13.80 ? 231 SER A HA 1 ATOM 3335 H HB2 . SER A 1 231 ? 31.887 -0.870 -6.786 1.00 7.98 ? 231 SER A HB2 1 ATOM 3336 H HB3 . SER A 1 231 ? 31.083 -1.376 -5.518 1.00 7.98 ? 231 SER A HB3 1 ATOM 3337 N N . GLN A 1 232 ? 33.993 -2.374 -8.007 1.00 8.29 ? 232 GLN A N 1 ATOM 3338 C CA . GLN A 1 232 ? 35.241 -1.871 -8.506 1.00 8.66 ? 232 GLN A CA 1 ATOM 3339 C C . GLN A 1 232 ? 35.609 -0.622 -7.732 1.00 8.33 ? 232 GLN A C 1 ATOM 3340 O O . GLN A 1 232 ? 34.740 0.119 -7.257 1.00 8.52 ? 232 GLN A O 1 ATOM 3341 C CB A GLN A 1 232 ? 35.082 -1.582 -9.984 0.50 9.00 ? 232 GLN A CB 1 ATOM 3342 C CB B GLN A 1 232 ? 35.106 -1.505 -9.990 0.50 11.23 ? 232 GLN A CB 1 ATOM 3343 C CG A GLN A 1 232 ? 34.944 -2.876 -10.759 0.50 10.04 ? 232 GLN A CG 1 ATOM 3344 C CG B GLN A 1 232 ? 34.547 -2.609 -10.872 0.50 13.04 ? 232 GLN A CG 1 ATOM 3345 C CD A GLN A 1 232 ? 34.645 -2.638 -12.209 0.50 10.86 ? 232 GLN A CD 1 ATOM 3346 C CD B GLN A 1 232 ? 35.550 -3.649 -11.154 0.50 15.81 ? 232 GLN A CD 1 ATOM 3347 O OE1 A GLN A 1 232 ? 34.615 -1.530 -12.699 0.50 14.70 ? 232 GLN A OE1 1 ATOM 3348 O OE1 B GLN A 1 232 ? 36.762 -3.390 -11.082 0.50 21.15 ? 232 GLN A OE1 1 ATOM 3349 N NE2 A GLN A 1 232 ? 34.314 -3.704 -12.881 0.50 19.91 ? 232 GLN A NE2 1 ATOM 3350 N NE2 B GLN A 1 232 ? 35.076 -4.862 -11.473 0.50 20.95 ? 232 GLN A NE2 1 ATOM 3351 H H . GLN A 1 232 ? 33.227 -2.427 -8.660 1.00 13.80 ? 232 GLN A H 1 ATOM 3352 H HA . GLN A 1 232 ? 35.946 -2.542 -8.394 1.00 9.90 ? 232 GLN A HA 1 ATOM 3353 H HB2 A GLN A 1 232 ? 34.288 -1.045 -10.132 0.50 13.80 ? 232 GLN A HB2 1 ATOM 3354 H HB2 B GLN A 1 232 ? 34.514 -0.741 -10.070 0.50 13.40 ? 232 GLN A HB2 1 ATOM 3355 H HB3 A GLN A 1 232 ? 35.869 -1.116 -10.307 0.50 13.80 ? 232 GLN A HB3 1 ATOM 3356 H HB3 B GLN A 1 232 ? 35.984 -1.273 -10.331 0.50 13.40 ? 232 GLN A HB3 1 ATOM 3357 H HG2 A GLN A 1 232 ? 35.778 -3.368 -10.702 0.50 13.80 ? 232 GLN A HG2 1 ATOM 3358 H HG2 B GLN A 1 232 ? 33.788 -3.032 -10.451 0.50 13.80 ? 232 GLN A HG2 1 ATOM 3359 H HG3 A GLN A 1 232 ? 34.221 -3.406 -10.391 0.50 13.80 ? 232 GLN A HG3 1 ATOM 3360 H HG3 B GLN A 1 232 ? 34.278 -2.222 -11.720 0.50 13.80 ? 232 GLN A HG3 1 ATOM 3361 N N . GLN A 1 233 ? 36.879 -0.331 -7.626 1.00 8.57 ? 233 GLN A N 1 ATOM 3362 C CA . GLN A 1 233 ? 37.336 0.859 -6.923 1.00 8.36 ? 233 GLN A CA 1 ATOM 3363 C C . GLN A 1 233 ? 36.822 2.077 -7.648 1.00 8.50 ? 233 GLN A C 1 ATOM 3364 O O . GLN A 1 233 ? 37.002 2.209 -8.845 1.00 10.19 ? 233 GLN A O 1 ATOM 3365 C CB . GLN A 1 233 ? 38.851 0.869 -6.885 1.00 9.57 ? 233 GLN A CB 1 ATOM 3366 C CG . GLN A 1 233 ? 39.402 -0.129 -5.909 1.00 10.24 ? 233 GLN A CG 1 ATOM 3367 C CD . GLN A 1 233 ? 40.873 -0.209 -6.058 1.00 10.86 ? 233 GLN A CD 1 ATOM 3368 O OE1 . GLN A 1 233 ? 41.574 0.733 -5.654 1.00 12.76 ? 233 GLN A OE1 1 ATOM 3369 N NE2 . GLN A 1 233 ? 41.341 -1.274 -6.618 1.00 12.92 ? 233 GLN A NE2 1 ATOM 3370 H H . GLN A 1 233 ? 37.612 -0.898 -8.029 1.00 9.90 ? 233 GLN A H 1 ATOM 3371 H HA . GLN A 1 233 ? 36.995 0.853 -6.007 1.00 9.59 ? 233 GLN A HA 1 ATOM 3372 N N . LEU A 1 234 ? 36.223 2.979 -6.896 1.00 8.28 ? 234 LEU A N 1 ATOM 3373 C CA . LEU A 1 234 ? 35.741 4.243 -7.452 1.00 8.25 ? 234 LEU A CA 1 ATOM 3374 C C . LEU A 1 234 ? 36.145 5.337 -6.487 1.00 8.44 ? 234 LEU A C 1 ATOM 3375 O O . LEU A 1 234 ? 35.642 5.415 -5.363 1.00 8.65 ? 234 LEU A O 1 ATOM 3376 C CB . LEU A 1 234 ? 34.249 4.263 -7.631 1.00 8.26 ? 234 LEU A CB 1 ATOM 3377 C CG . LEU A 1 234 ? 33.710 5.568 -8.200 1.00 9.15 ? 234 LEU A CG 1 ATOM 3378 C CD1 . LEU A 1 234 ? 34.126 5.788 -9.644 1.00 11.18 ? 234 LEU A CD1 1 ATOM 3379 C CD2 . LEU A 1 234 ? 32.212 5.628 -8.063 1.00 9.49 ? 234 LEU A CD2 1 ATOM 3380 H H . LEU A 1 234 ? 36.049 2.874 -5.906 1.00 9.59 ? 234 LEU A H 1 ATOM 3381 H HA . LEU A 1 234 ? 36.163 4.418 -8.318 1.00 10.43 ? 234 LEU A HA 1 ATOM 3382 H HB2 . LEU A 1 234 ? 34.001 3.551 -8.242 1.00 10.43 ? 234 LEU A HB2 1 ATOM 3383 H HB3 . LEU A 1 234 ? 33.827 4.114 -6.770 1.00 10.43 ? 234 LEU A HB3 1 ATOM 3384 H HG . LEU A 1 234 ? 34.065 6.309 -7.685 1.00 9.34 ? 234 LEU A HG 1 ATOM 3385 H HD11 . LEU A 1 234 ? 35.063 5.996 -9.671 1.00 10.43 ? 234 LEU A HD11 1 ATOM 3386 H HD12 . LEU A 1 234 ? 33.621 6.518 -10.010 1.00 10.43 ? 234 LEU A HD12 1 ATOM 3387 H HD13 . LEU A 1 234 ? 33.954 4.988 -10.145 1.00 10.43 ? 234 LEU A HD13 1 ATOM 3388 H HD21 . LEU A 1 234 ? 31.824 4.915 -8.573 1.00 10.43 ? 234 LEU A HD21 1 ATOM 3389 H HD22 . LEU A 1 234 ? 31.901 6.475 -8.392 1.00 10.43 ? 234 LEU A HD22 1 ATOM 3390 H HD23 . LEU A 1 234 ? 31.979 5.534 -7.136 1.00 10.43 ? 234 LEU A HD23 1 ATOM 3391 N N . THR A 1 235 ? 37.085 6.182 -6.886 1.00 8.75 ? 235 THR A N 1 ATOM 3392 C CA . THR A 1 235 ? 37.556 7.262 -6.014 1.00 9.17 ? 235 THR A CA 1 ATOM 3393 C C . THR A 1 235 ? 36.674 8.476 -6.158 1.00 8.94 ? 235 THR A C 1 ATOM 3394 O O . THR A 1 235 ? 36.454 8.956 -7.282 1.00 10.86 ? 235 THR A O 1 ATOM 3395 C CB . THR A 1 235 ? 39.013 7.545 -6.271 1.00 10.61 ? 235 THR A CB 1 ATOM 3396 O OG1 . THR A 1 235 ? 39.753 6.357 -6.024 1.00 12.15 ? 235 THR A OG1 1 ATOM 3397 C CG2 . THR A 1 235 ? 39.555 8.629 -5.362 1.00 12.54 ? 235 THR A CG2 1 ATOM 3398 H H . THR A 1 235 ? 37.537 6.154 -7.789 1.00 10.43 ? 235 THR A H 1 ATOM 3399 H HA . THR A 1 235 ? 37.502 6.958 -5.088 1.00 9.85 ? 235 THR A HA 1 ATOM 3400 H HB . THR A 1 235 ? 39.136 7.822 -7.192 1.00 10.43 ? 235 THR A HB 1 ATOM 3401 H HG21 . THR A 1 235 ? 39.367 9.494 -5.733 1.00 9.93 ? 235 THR A HG21 1 ATOM 3402 H HG22 . THR A 1 235 ? 40.506 8.532 -5.266 1.00 9.93 ? 235 THR A HG22 1 ATOM 3403 H HG23 . THR A 1 235 ? 39.146 8.566 -4.495 1.00 9.93 ? 235 THR A HG23 1 ATOM 3404 N N . VAL A 1 236 ? 36.211 8.957 -5.026 1.00 8.56 ? 236 VAL A N 1 ATOM 3405 C CA . VAL A 1 236 ? 35.328 10.102 -4.953 1.00 8.57 ? 236 VAL A CA 1 ATOM 3406 C C . VAL A 1 236 ? 35.862 11.021 -3.861 1.00 9.20 ? 236 VAL A C 1 ATOM 3407 O O . VAL A 1 236 ? 36.576 10.586 -2.980 1.00 9.99 ? 236 VAL A O 1 ATOM 3408 C CB . VAL A 1 236 ? 33.888 9.684 -4.683 1.00 8.68 ? 236 VAL A CB 1 ATOM 3409 C CG1 . VAL A 1 236 ? 33.381 8.842 -5.793 1.00 9.51 ? 236 VAL A CG1 1 ATOM 3410 C CG2 . VAL A 1 236 ? 33.767 8.968 -3.371 1.00 9.32 ? 236 VAL A CG2 1 ATOM 3411 H H . VAL A 1 236 ? 36.441 8.573 -4.120 1.00 9.79 ? 236 VAL A H 1 ATOM 3412 H HA . VAL A 1 236 ? 35.354 10.594 -5.798 1.00 9.02 ? 236 VAL A HA 1 ATOM 3413 H HB . VAL A 1 236 ? 33.326 10.484 -4.632 1.00 8.77 ? 236 VAL A HB 1 ATOM 3414 H HG11 . VAL A 1 236 ? 33.560 9.281 -6.628 1.00 9.02 ? 236 VAL A HG11 1 ATOM 3415 H HG12 . VAL A 1 236 ? 32.435 8.722 -5.684 1.00 9.02 ? 236 VAL A HG12 1 ATOM 3416 H HG13 . VAL A 1 236 ? 33.821 7.989 -5.769 1.00 9.02 ? 236 VAL A HG13 1 ATOM 3417 H HG21 . VAL A 1 236 ? 34.290 8.164 -3.397 1.00 9.73 ? 236 VAL A HG21 1 ATOM 3418 H HG22 . VAL A 1 236 ? 32.844 8.747 -3.229 1.00 9.73 ? 236 VAL A HG22 1 ATOM 3419 H HG23 . VAL A 1 236 ? 34.072 9.537 -2.661 1.00 9.73 ? 236 VAL A HG23 1 ATOM 3420 N N . ASP A 1 237 ? 35.401 12.260 -3.850 1.00 8.60 ? 237 ASP A N 1 ATOM 3421 C CA . ASP A 1 237 ? 35.692 13.149 -2.744 1.00 8.82 ? 237 ASP A CA 1 ATOM 3422 C C . ASP A 1 237 ? 34.457 13.545 -1.972 1.00 8.41 ? 237 ASP A C 1 ATOM 3423 O O . ASP A 1 237 ? 34.584 14.271 -0.984 1.00 9.23 ? 237 ASP A O 1 ATOM 3424 C CB . ASP A 1 237 ? 36.520 14.362 -3.137 1.00 10.12 ? 237 ASP A CB 1 ATOM 3425 C CG . ASP A 1 237 ? 35.881 15.223 -4.162 1.00 11.22 ? 237 ASP A CG 1 ATOM 3426 O OD1 . ASP A 1 237 ? 34.899 14.849 -4.750 1.00 10.79 ? 237 ASP A OD1 1 ATOM 3427 O OD2 . ASP A 1 237 ? 36.444 16.339 -4.379 1.00 14.98 ? 237 ASP A OD2 1 ATOM 3428 H H . ASP A 1 237 ? 34.841 12.667 -4.584 1.00 8.75 ? 237 ASP A H 1 ATOM 3429 H HA . ASP A 1 237 ? 36.247 12.664 -2.099 1.00 9.11 ? 237 ASP A HA 1 ATOM 3430 H HB2 . ASP A 1 237 ? 36.682 14.905 -2.350 1.00 10.29 ? 237 ASP A HB2 1 ATOM 3431 H HB3 . ASP A 1 237 ? 37.365 14.054 -3.499 1.00 10.29 ? 237 ASP A HB3 1 ATOM 3432 N N . GLN A 1 238 ? 33.288 13.023 -2.332 1.00 8.43 ? 238 GLN A N 1 ATOM 3433 C CA . GLN A 1 238 ? 32.086 13.278 -1.579 1.00 8.26 ? 238 GLN A CA 1 ATOM 3434 C C . GLN A 1 238 ? 31.190 12.112 -1.907 1.00 8.02 ? 238 GLN A C 1 ATOM 3435 O O . GLN A 1 238 ? 31.146 11.667 -3.035 1.00 8.67 ? 238 GLN A O 1 ATOM 3436 C CB . GLN A 1 238 ? 31.459 14.569 -1.955 1.00 8.86 ? 238 GLN A CB 1 ATOM 3437 C CG . GLN A 1 238 ? 30.253 14.928 -1.112 1.00 9.26 ? 238 GLN A CG 1 ATOM 3438 C CD . GLN A 1 238 ? 29.658 16.261 -1.541 1.00 9.48 ? 238 GLN A CD 1 ATOM 3439 O OE1 . GLN A 1 238 ? 29.235 16.400 -2.667 1.00 11.59 ? 238 GLN A OE1 1 ATOM 3440 N NE2 . GLN A 1 238 ? 29.638 17.204 -0.647 1.00 10.62 ? 238 GLN A NE2 1 ATOM 3441 H H . GLN A 1 238 ? 33.145 12.430 -3.137 1.00 8.75 ? 238 GLN A H 1 ATOM 3442 H HA . GLN A 1 238 ? 32.281 13.281 -0.621 1.00 8.15 ? 238 GLN A HA 1 ATOM 3443 H HB2 . GLN A 1 238 ? 32.112 15.276 -1.848 1.00 9.03 ? 238 GLN A HB2 1 ATOM 3444 H HB3 . GLN A 1 238 ? 31.172 14.523 -2.881 1.00 9.03 ? 238 GLN A HB3 1 ATOM 3445 H HG2 . GLN A 1 238 ? 29.568 14.249 -1.219 1.00 10.42 ? 238 GLN A HG2 1 ATOM 3446 H HG3 . GLN A 1 238 ? 30.523 14.985 -0.182 1.00 10.42 ? 238 GLN A HG3 1 ATOM 3447 H HE21 . GLN A 1 238 ? 29.498 18.018 -0.888 1.00 10.58 ? 238 GLN A HE21 1 ATOM 3448 H HE22 . GLN A 1 238 ? 29.759 17.021 0.185 1.00 10.58 ? 238 GLN A HE22 1 ATOM 3449 N N . ILE A 1 239 ? 30.440 11.667 -0.883 1.00 7.81 ? 239 ILE A N 1 ATOM 3450 C CA . ILE A 1 239 ? 29.444 10.625 -1.055 1.00 7.61 ? 239 ILE A CA 1 ATOM 3451 C C . ILE A 1 239 ? 28.136 11.133 -0.543 1.00 7.64 ? 239 ILE A C 1 ATOM 3452 O O . ILE A 1 239 ? 28.007 11.403 0.649 1.00 8.21 ? 239 ILE A O 1 ATOM 3453 C CB . ILE A 1 239 ? 29.854 9.372 -0.249 1.00 8.06 ? 239 ILE A CB 1 ATOM 3454 C CG1 . ILE A 1 239 ? 31.129 8.768 -0.814 1.00 8.92 ? 239 ILE A CG1 1 ATOM 3455 C CG2 . ILE A 1 239 ? 28.721 8.358 -0.237 1.00 8.78 ? 239 ILE A CG2 1 ATOM 3456 C CD1 . ILE A 1 239 ? 31.688 7.670 0.032 1.00 10.90 ? 239 ILE A CD1 1 ATOM 3457 H H . ILE A 1 239 ? 30.508 12.012 0.064 1.00 8.15 ? 239 ILE A H 1 ATOM 3458 H HA . ILE A 1 239 ? 29.349 10.376 -1.998 1.00 7.93 ? 239 ILE A HA 1 ATOM 3459 H HB . ILE A 1 239 ? 30.027 9.645 0.666 1.00 9.51 ? 239 ILE A HB 1 ATOM 3460 H HG12 . ILE A 1 239 ? 30.941 8.402 -1.692 1.00 9.26 ? 239 ILE A HG12 1 ATOM 3461 H HG13 . ILE A 1 239 ? 31.808 9.458 -0.883 1.00 9.26 ? 239 ILE A HG13 1 ATOM 3462 H HG21 . ILE A 1 239 ? 28.087 8.605 0.440 1.00 9.48 ? 239 ILE A HG21 1 ATOM 3463 H HG22 . ILE A 1 239 ? 29.069 7.486 -0.043 1.00 9.48 ? 239 ILE A HG22 1 ATOM 3464 H HG23 . ILE A 1 239 ? 28.295 8.350 -1.098 1.00 9.48 ? 239 ILE A HG23 1 ATOM 3465 H HD11 . ILE A 1 239 ? 31.445 7.818 0.949 1.00 9.51 ? 239 ILE A HD11 1 ATOM 3466 H HD12 . ILE A 1 239 ? 32.644 7.667 -0.054 1.00 9.51 ? 239 ILE A HD12 1 ATOM 3467 H HD13 . ILE A 1 239 ? 31.332 6.831 -0.270 1.00 9.51 ? 239 ILE A HD13 1 ATOM 3468 N N . GLN A 1 240 ? 27.128 11.196 -1.401 1.00 7.77 ? 240 GLN A N 1 ATOM 3469 C CA . GLN A 1 240 ? 25.780 11.432 -0.965 1.00 7.66 ? 240 GLN A CA 1 ATOM 3470 C C . GLN A 1 240 ? 25.196 10.070 -0.603 1.00 7.85 ? 240 GLN A C 1 ATOM 3471 O O . GLN A 1 240 ? 25.072 9.227 -1.474 1.00 9.31 ? 240 GLN A O 1 ATOM 3472 C CB . GLN A 1 240 ? 24.957 12.097 -2.045 1.00 8.97 ? 240 GLN A CB 1 ATOM 3473 C CG . GLN A 1 240 ? 23.553 12.445 -1.534 1.00 11.19 ? 240 GLN A CG 1 ATOM 3474 C CD . GLN A 1 240 ? 22.758 13.304 -2.448 1.00 13.40 ? 240 GLN A CD 1 ATOM 3475 O OE1 . GLN A 1 240 ? 22.950 13.271 -3.624 1.00 17.73 ? 240 GLN A OE1 1 ATOM 3476 N NE2 . GLN A 1 240 ? 21.811 14.062 -1.904 1.00 14.60 ? 240 GLN A NE2 1 ATOM 3477 H H . GLN A 1 240 ? 27.222 11.086 -2.401 1.00 7.93 ? 240 GLN A H 1 ATOM 3478 H HA . GLN A 1 240 ? 25.774 12.017 -0.184 1.00 10.90 ? 240 GLN A HA 1 ATOM 3479 H HB2 . GLN A 1 240 ? 25.393 12.919 -2.319 1.00 11.56 ? 240 GLN A HB2 1 ATOM 3480 H HB3 . GLN A 1 240 ? 24.866 11.497 -2.802 1.00 11.56 ? 240 GLN A HB3 1 ATOM 3481 H HG2 . GLN A 1 240 ? 23.053 11.624 -1.409 1.00 10.99 ? 240 GLN A HG2 1 ATOM 3482 H HG3 . GLN A 1 240 ? 23.635 12.908 -0.686 1.00 10.99 ? 240 GLN A HG3 1 ATOM 3483 N N . ILE A 1 241 ? 24.930 9.879 0.667 1.00 6.85 ? 241 ILE A N 1 ATOM 3484 C CA . ILE A 1 241 ? 24.491 8.605 1.211 1.00 6.71 ? 241 ILE A CA 1 ATOM 3485 C C . ILE A 1 241 ? 23.094 8.760 1.748 1.00 6.41 ? 241 ILE A C 1 ATOM 3486 O O . ILE A 1 241 ? 22.834 9.612 2.591 1.00 7.15 ? 241 ILE A O 1 ATOM 3487 C CB . ILE A 1 241 ? 25.503 8.035 2.221 1.00 6.74 ? 241 ILE A CB 1 ATOM 3488 C CG1 . ILE A 1 241 ? 25.069 6.651 2.674 1.00 6.91 ? 241 ILE A CG1 1 ATOM 3489 C CG2 . ILE A 1 241 ? 25.761 8.979 3.397 1.00 7.52 ? 241 ILE A CG2 1 ATOM 3490 C CD1 . ILE A 1 241 ? 26.053 5.984 3.591 1.00 7.44 ? 241 ILE A CD1 1 ATOM 3491 H H . ILE A 1 241 ? 24.987 10.612 1.358 1.00 10.81 ? 241 ILE A H 1 ATOM 3492 H HA . ILE A 1 241 ? 24.448 7.953 0.481 1.00 11.81 ? 241 ILE A HA 1 ATOM 3493 H HB . ILE A 1 241 ? 26.344 7.928 1.752 1.00 9.43 ? 241 ILE A HB 1 ATOM 3494 H HG12 . ILE A 1 241 ? 24.229 6.719 3.152 1.00 11.48 ? 241 ILE A HG12 1 ATOM 3495 H HG13 . ILE A 1 241 ? 24.960 6.086 1.893 1.00 11.48 ? 241 ILE A HG13 1 ATOM 3496 H HG21 . ILE A 1 241 ? 25.960 9.858 3.071 1.00 10.72 ? 241 ILE A HG21 1 ATOM 3497 H HG22 . ILE A 1 241 ? 26.510 8.653 3.900 1.00 10.72 ? 241 ILE A HG22 1 ATOM 3498 H HG23 . ILE A 1 241 ? 24.983 9.005 3.957 1.00 10.72 ? 241 ILE A HG23 1 ATOM 3499 H HD11 . ILE A 1 241 ? 26.943 6.231 3.330 1.00 9.38 ? 241 ILE A HD11 1 ATOM 3500 H HD12 . ILE A 1 241 ? 25.945 5.032 3.525 1.00 9.38 ? 241 ILE A HD12 1 ATOM 3501 H HD13 . ILE A 1 241 ? 25.883 6.271 4.491 1.00 9.38 ? 241 ILE A HD13 1 ATOM 3502 N N . PHE A 1 242 ? 22.189 7.947 1.231 1.00 6.32 ? 242 PHE A N 1 ATOM 3503 C CA . PHE A 1 242 ? 20.776 8.004 1.600 1.00 6.16 ? 242 PHE A CA 1 ATOM 3504 C C . PHE A 1 242 ? 20.524 7.084 2.758 1.00 6.00 ? 242 PHE A C 1 ATOM 3505 O O . PHE A 1 242 ? 21.316 6.198 3.061 1.00 6.58 ? 242 PHE A O 1 ATOM 3506 C CB . PHE A 1 242 ? 19.926 7.665 0.386 1.00 7.06 ? 242 PHE A CB 1 ATOM 3507 C CG . PHE A 1 242 ? 20.107 8.626 -0.750 1.00 6.97 ? 242 PHE A CG 1 ATOM 3508 C CD1 . PHE A 1 242 ? 21.139 8.442 -1.657 1.00 7.82 ? 242 PHE A CD1 1 ATOM 3509 C CD2 . PHE A 1 242 ? 19.353 9.755 -0.878 1.00 9.11 ? 242 PHE A CD2 1 ATOM 3510 C CE1 . PHE A 1 242 ? 21.358 9.352 -2.673 1.00 8.46 ? 242 PHE A CE1 1 ATOM 3511 C CE2 . PHE A 1 242 ? 19.576 10.666 -1.893 1.00 10.20 ? 242 PHE A CE2 1 ATOM 3512 C CZ . PHE A 1 242 ? 20.571 10.442 -2.766 1.00 10.46 ? 242 PHE A CZ 1 ATOM 3513 H H . PHE A 1 242 ? 22.401 7.225 0.559 1.00 12.15 ? 242 PHE A H 1 ATOM 3514 H HA . PHE A 1 242 ? 20.541 8.913 1.880 1.00 6.40 ? 242 PHE A HA 1 ATOM 3515 H HB2 . PHE A 1 242 ? 20.153 6.776 0.072 1.00 11.85 ? 242 PHE A HB2 1 ATOM 3516 H HB3 . PHE A 1 242 ? 18.995 7.695 0.649 1.00 11.84 ? 242 PHE A HB3 1 ATOM 3517 H HD1 . PHE A 1 242 ? 21.685 7.696 -1.589 1.00 12.82 ? 242 PHE A HD1 1 ATOM 3518 H HD2 . PHE A 1 242 ? 18.670 9.916 -0.267 1.00 15.10 ? 242 PHE A HD2 1 ATOM 3519 H HE1 . PHE A 1 242 ? 22.038 9.210 -3.292 1.00 13.53 ? 242 PHE A HE1 1 ATOM 3520 H HE2 . PHE A 1 242 ? 19.040 11.418 -1.978 1.00 15.10 ? 242 PHE A HE2 1 ATOM 3521 H HZ . PHE A 1 242 ? 20.710 11.046 -3.460 1.00 14.29 ? 242 PHE A HZ 1 ATOM 3522 N N . ALA A 1 243 ? 19.374 7.289 3.379 1.00 6.16 ? 243 ALA A N 1 ATOM 3523 C CA . ALA A 1 243 ? 19.058 6.529 4.578 1.00 6.24 ? 243 ALA A CA 1 ATOM 3524 C C . ALA A 1 243 ? 19.176 5.046 4.288 1.00 6.09 ? 243 ALA A C 1 ATOM 3525 O O . ALA A 1 243 ? 18.634 4.561 3.325 1.00 6.59 ? 243 ALA A O 1 ATOM 3526 C CB . ALA A 1 243 ? 17.650 6.858 5.036 1.00 7.05 ? 243 ALA A CB 1 ATOM 3527 H H . ALA A 1 243 ? 18.667 7.950 3.089 1.00 7.46 ? 243 ALA A H 1 ATOM 3528 H HA . ALA A 1 243 ? 19.679 6.775 5.291 1.00 7.47 ? 243 ALA A HA 1 ATOM 3529 H HB1 . ALA A 1 243 ? 17.598 7.796 5.235 1.00 7.46 ? 243 ALA A HB1 1 ATOM 3530 H HB2 . ALA A 1 243 ? 17.450 6.344 5.822 1.00 7.46 ? 243 ALA A HB2 1 ATOM 3531 H HB3 . ALA A 1 243 ? 17.034 6.637 4.334 1.00 7.46 ? 243 ALA A HB3 1 ATOM 3532 N N . ALA A 1 244 ? 19.890 4.374 5.187 1.00 5.89 ? 244 ALA A N 1 ATOM 3533 C CA . ALA A 1 244 ? 20.032 2.929 5.211 1.00 6.03 ? 244 ALA A CA 1 ATOM 3534 C C . ALA A 1 244 ? 21.087 2.371 4.273 1.00 5.96 ? 244 ALA A C 1 ATOM 3535 O O . ALA A 1 244 ? 21.358 1.176 4.337 1.00 6.32 ? 244 ALA A O 1 ATOM 3536 C CB . ALA A 1 244 ? 18.745 2.195 4.994 1.00 6.29 ? 244 ALA A CB 1 ATOM 3537 H H . ALA A 1 244 ? 20.400 4.819 5.937 1.00 7.47 ? 244 ALA A H 1 ATOM 3538 H HA . ALA A 1 244 ? 20.324 2.688 6.112 1.00 7.04 ? 244 ALA A HA 1 ATOM 3539 H HB1 . ALA A 1 244 ? 18.030 2.699 5.386 1.00 8.13 ? 244 ALA A HB1 1 ATOM 3540 H HB2 . ALA A 1 244 ? 18.804 1.337 5.416 1.00 8.13 ? 244 ALA A HB2 1 ATOM 3541 H HB3 . ALA A 1 244 ? 18.591 2.083 4.053 1.00 8.13 ? 244 ALA A HB3 1 ATOM 3542 N N . GLN A 1 245 ? 21.701 3.205 3.451 1.00 5.67 ? 245 GLN A N 1 ATOM 3543 C CA . GLN A 1 245 ? 22.759 2.774 2.569 1.00 5.65 ? 245 GLN A CA 1 ATOM 3544 C C . GLN A 1 245 ? 24.044 2.584 3.327 1.00 5.73 ? 245 GLN A C 1 ATOM 3545 O O . GLN A 1 245 ? 24.241 3.135 4.412 1.00 5.98 ? 245 GLN A O 1 ATOM 3546 C CB . GLN A 1 245 ? 22.948 3.772 1.446 1.00 5.89 ? 245 GLN A CB 1 ATOM 3547 C CG . GLN A 1 245 ? 21.806 3.794 0.479 1.00 6.18 ? 245 GLN A CG 1 ATOM 3548 C CD . GLN A 1 245 ? 22.019 4.751 -0.641 1.00 6.07 ? 245 GLN A CD 1 ATOM 3549 O OE1 . GLN A 1 245 ? 22.758 5.734 -0.506 1.00 6.52 ? 245 GLN A OE1 1 ATOM 3550 N NE2 . GLN A 1 245 ? 21.381 4.499 -1.771 1.00 6.25 ? 245 GLN A NE2 1 ATOM 3551 H H . GLN A 1 245 ? 21.495 4.189 3.374 1.00 11.32 ? 245 GLN A H 1 ATOM 3552 H HA . GLN A 1 245 ? 22.513 1.916 2.164 1.00 5.95 ? 245 GLN A HA 1 ATOM 3553 H HB2 . GLN A 1 245 ? 23.049 4.659 1.823 1.00 11.32 ? 245 GLN A HB2 1 ATOM 3554 H HB3 . GLN A 1 245 ? 23.747 3.535 0.949 1.00 11.32 ? 245 GLN A HB3 1 ATOM 3555 H HG2 . GLN A 1 245 ? 21.695 2.908 0.101 1.00 6.44 ? 245 GLN A HG2 1 ATOM 3556 H HG3 . GLN A 1 245 ? 20.999 4.058 0.949 1.00 6.44 ? 245 GLN A HG3 1 ATOM 3557 H HE21 . GLN A 1 245 ? 21.684 4.810 -2.513 1.00 6.44 ? 245 GLN A HE21 1 ATOM 3558 H HE22 . GLN A 1 245 ? 20.663 4.027 -1.765 1.00 6.44 ? 245 GLN A HE22 1 ATOM 3559 N N . ARG A 1 246 ? 24.936 1.813 2.709 1.00 5.84 ? 246 ARG A N 1 ATOM 3560 C CA . ARG A 1 246 ? 26.284 1.648 3.229 1.00 5.80 ? 246 ARG A CA 1 ATOM 3561 C C . ARG A 1 246 ? 27.269 1.706 2.081 1.00 6.20 ? 246 ARG A C 1 ATOM 3562 O O . ARG A 1 246 ? 27.000 1.246 0.981 1.00 6.49 ? 246 ARG A O 1 ATOM 3563 C CB . ARG A 1 246 ? 26.478 0.312 3.931 1.00 6.30 ? 246 ARG A CB 1 ATOM 3564 C CG . ARG A 1 246 ? 25.665 0.153 5.206 1.00 7.01 ? 246 ARG A CG 1 ATOM 3565 C CD . ARG A 1 246 ? 24.230 -0.263 5.004 1.00 6.61 ? 246 ARG A CD 1 ATOM 3566 N NE . ARG A 1 246 ? 24.173 -1.579 4.393 1.00 6.78 ? 246 ARG A NE 1 ATOM 3567 C CZ . ARG A 1 246 ? 23.283 -1.990 3.518 1.00 6.00 ? 246 ARG A CZ 1 ATOM 3568 N NH1 . ARG A 1 246 ? 22.293 -1.232 3.128 1.00 6.50 ? 246 ARG A NH1 1 ATOM 3569 N NH2 . ARG A 1 246 ? 23.411 -3.199 3.015 1.00 6.59 ? 246 ARG A NH2 1 ATOM 3570 H H . ARG A 1 246 ? 24.754 1.297 1.859 1.00 5.95 ? 246 ARG A H 1 ATOM 3571 H HA . ARG A 1 246 ? 26.487 2.367 3.859 1.00 6.27 ? 246 ARG A HA 1 ATOM 3572 H HB2 . ARG A 1 246 ? 26.226 -0.398 3.321 1.00 6.57 ? 246 ARG A HB2 1 ATOM 3573 H HB3 . ARG A 1 246 ? 27.414 0.219 4.170 1.00 6.57 ? 246 ARG A HB3 1 ATOM 3574 H HG2 . ARG A 1 246 ? 26.090 -0.517 5.764 1.00 7.92 ? 246 ARG A HG2 1 ATOM 3575 H HG3 . ARG A 1 246 ? 25.655 1.002 5.669 1.00 7.92 ? 246 ARG A HG3 1 ATOM 3576 H HD2 . ARG A 1 246 ? 23.788 -0.306 5.865 1.00 8.00 ? 246 ARG A HD2 1 ATOM 3577 H HD3 . ARG A 1 246 ? 23.790 0.375 4.434 1.00 8.00 ? 246 ARG A HD3 1 ATOM 3578 H HE . ARG A 1 246 ? 24.941 -2.151 4.535 1.00 7.94 ? 246 ARG A HE 1 ATOM 3579 H HH11 . ARG A 1 246 ? 22.198 -0.435 3.432 1.00 7.96 ? 246 ARG A HH11 1 ATOM 3580 H HH12 . ARG A 1 246 ? 21.723 -1.530 2.561 1.00 7.96 ? 246 ARG A HH12 1 ATOM 3581 H HH21 . ARG A 1 246 ? 24.053 -3.710 3.272 1.00 7.95 ? 246 ARG A HH21 1 ATOM 3582 H HH22 . ARG A 1 246 ? 22.829 -3.500 2.458 1.00 7.95 ? 246 ARG A HH22 1 ATOM 3583 N N . TYR A 1 247 ? 28.436 2.228 2.410 1.00 6.26 ? 247 TYR A N 1 ATOM 3584 C CA . TYR A 1 247 ? 29.577 2.110 1.516 1.00 6.64 ? 247 TYR A CA 1 ATOM 3585 C C . TYR A 1 247 ? 30.764 1.730 2.343 1.00 7.25 ? 247 TYR A C 1 ATOM 3586 O O . TYR A 1 247 ? 30.930 2.247 3.419 1.00 10.09 ? 247 TYR A O 1 ATOM 3587 C CB . TYR A 1 247 ? 29.922 3.470 0.875 1.00 7.34 ? 247 TYR A CB 1 ATOM 3588 C CG . TYR A 1 247 ? 28.864 3.915 -0.109 1.00 6.96 ? 247 TYR A CG 1 ATOM 3589 C CD1 . TYR A 1 247 ? 28.874 3.450 -1.409 1.00 7.57 ? 247 TYR A CD1 1 ATOM 3590 C CD2 . TYR A 1 247 ? 27.870 4.766 0.255 1.00 7.34 ? 247 TYR A CD2 1 ATOM 3591 C CE1 . TYR A 1 247 ? 27.939 3.844 -2.312 1.00 7.67 ? 247 TYR A CE1 1 ATOM 3592 C CE2 . TYR A 1 247 ? 26.906 5.181 -0.664 1.00 7.37 ? 247 TYR A CE2 1 ATOM 3593 C CZ . TYR A 1 247 ? 26.931 4.694 -1.942 1.00 7.09 ? 247 TYR A CZ 1 ATOM 3594 O OH . TYR A 1 247 ? 26.019 5.026 -2.887 1.00 7.49 ? 247 TYR A OH 1 ATOM 3595 H H . TYR A 1 247 ? 28.626 2.730 3.266 1.00 6.27 ? 247 TYR A H 1 ATOM 3596 H HA . TYR A 1 247 ? 29.423 1.440 0.822 1.00 7.33 ? 247 TYR A HA 1 ATOM 3597 H HB2 . TYR A 1 247 ? 29.992 4.141 1.571 1.00 7.55 ? 247 TYR A HB2 1 ATOM 3598 H HB3 . TYR A 1 247 ? 30.763 3.395 0.397 1.00 7.55 ? 247 TYR A HB3 1 ATOM 3599 H HD1 . TYR A 1 247 ? 29.545 2.866 -1.677 1.00 7.82 ? 247 TYR A HD1 1 ATOM 3600 H HD2 . TYR A 1 247 ? 27.844 5.095 1.125 1.00 7.55 ? 247 TYR A HD2 1 ATOM 3601 H HE1 . TYR A 1 247 ? 27.964 3.508 -3.179 1.00 7.82 ? 247 TYR A HE1 1 ATOM 3602 H HE2 . TYR A 1 247 ? 26.225 5.756 -0.398 1.00 7.55 ? 247 TYR A HE2 1 ATOM 3603 N N . SER A 1 248 ? 31.639 0.906 1.785 1.00 6.66 ? 248 SER A N 1 ATOM 3604 C CA . SER A 1 248 ? 33.000 0.880 2.296 1.00 6.84 ? 248 SER A CA 1 ATOM 3605 C C . SER A 1 248 ? 33.864 1.689 1.385 1.00 6.72 ? 248 SER A C 1 ATOM 3606 O O . SER A 1 248 ? 33.718 1.601 0.160 1.00 7.16 ? 248 SER A O 1 ATOM 3607 C CB . SER A 1 248 ? 33.613 -0.497 2.399 1.00 7.33 ? 248 SER A CB 1 ATOM 3608 O OG . SER A 1 248 ? 33.022 -1.276 3.407 1.00 7.53 ? 248 SER A OG 1 ATOM 3609 H H . SER A 1 248 ? 31.453 0.288 1.011 1.00 7.33 ? 248 SER A H 1 ATOM 3610 H HA . SER A 1 248 ? 33.024 1.276 3.188 1.00 7.13 ? 248 SER A HA 1 ATOM 3611 H HB2 . SER A 1 248 ? 33.521 -0.949 1.549 1.00 7.33 ? 248 SER A HB2 1 ATOM 3612 H HB3 . SER A 1 248 ? 34.555 -0.400 2.610 1.00 7.33 ? 248 SER A HB3 1 ATOM 3613 N N . PHE A 1 249 ? 34.764 2.446 1.965 1.00 6.91 ? 249 PHE A N 1 ATOM 3614 C CA . PHE A 1 249 ? 35.755 3.139 1.178 1.00 7.44 ? 249 PHE A CA 1 ATOM 3615 C C . PHE A 1 249 ? 37.094 2.993 1.813 1.00 7.44 ? 249 PHE A C 1 ATOM 3616 O O . PHE A 1 249 ? 37.209 2.971 3.021 1.00 8.01 ? 249 PHE A O 1 ATOM 3617 C CB . PHE A 1 249 ? 35.383 4.598 0.944 1.00 7.86 ? 249 PHE A CB 1 ATOM 3618 C CG . PHE A 1 249 ? 35.314 5.438 2.186 1.00 7.58 ? 249 PHE A CG 1 ATOM 3619 C CD1 . PHE A 1 249 ? 36.417 6.097 2.664 1.00 8.03 ? 249 PHE A CD1 1 ATOM 3620 C CD2 . PHE A 1 249 ? 34.112 5.658 2.836 1.00 8.43 ? 249 PHE A CD2 1 ATOM 3621 C CE1 . PHE A 1 249 ? 36.373 6.886 3.769 1.00 8.46 ? 249 PHE A CE1 1 ATOM 3622 C CE2 . PHE A 1 249 ? 34.042 6.453 3.957 1.00 8.86 ? 249 PHE A CE2 1 ATOM 3623 C CZ . PHE A 1 249 ? 35.172 7.077 4.420 1.00 8.65 ? 249 PHE A CZ 1 ATOM 3624 H H . PHE A 1 249 ? 34.835 2.604 2.961 1.00 7.13 ? 249 PHE A H 1 ATOM 3625 H HA . PHE A 1 249 ? 35.804 2.712 0.301 1.00 11.06 ? 249 PHE A HA 1 ATOM 3626 H HB2 . PHE A 1 249 ? 36.046 4.995 0.358 1.00 9.40 ? 249 PHE A HB2 1 ATOM 3627 H HB3 . PHE A 1 249 ? 34.512 4.629 0.518 1.00 9.40 ? 249 PHE A HB3 1 ATOM 3628 H HD1 . PHE A 1 249 ? 37.232 5.975 2.234 1.00 10.42 ? 249 PHE A HD1 1 ATOM 3629 H HD2 . PHE A 1 249 ? 33.343 5.238 2.526 1.00 9.75 ? 249 PHE A HD2 1 ATOM 3630 H HE1 . PHE A 1 249 ? 37.145 7.302 4.079 1.00 10.42 ? 249 PHE A HE1 1 ATOM 3631 H HE2 . PHE A 1 249 ? 33.230 6.575 4.393 1.00 9.75 ? 249 PHE A HE2 1 ATOM 3632 H HZ . PHE A 1 249 ? 35.132 7.614 5.179 1.00 10.08 ? 249 PHE A HZ 1 ATOM 3633 N N . VAL A 1 250 ? 38.101 2.950 0.981 1.00 7.78 ? 250 VAL A N 1 ATOM 3634 C CA . VAL A 1 250 ? 39.465 2.986 1.459 1.00 8.58 ? 250 VAL A CA 1 ATOM 3635 C C . VAL A 1 250 ? 39.807 4.437 1.715 1.00 8.13 ? 250 VAL A C 1 ATOM 3636 O O . VAL A 1 250 ? 39.667 5.294 0.833 1.00 8.97 ? 250 VAL A O 1 ATOM 3637 C CB . VAL A 1 250 ? 40.446 2.379 0.454 1.00 9.51 ? 250 VAL A CB 1 ATOM 3638 C CG1 . VAL A 1 250 ? 41.866 2.506 0.987 1.00 11.22 ? 250 VAL A CG1 1 ATOM 3639 C CG2 . VAL A 1 250 ? 40.090 0.921 0.223 1.00 10.59 ? 250 VAL A CG2 1 ATOM 3640 H H . VAL A 1 250 ? 38.017 2.892 -0.023 1.00 11.06 ? 250 VAL A H 1 ATOM 3641 H HA . VAL A 1 250 ? 39.538 2.475 2.288 1.00 11.06 ? 250 VAL A HA 1 ATOM 3642 H HB . VAL A 1 250 ? 40.387 2.858 -0.398 1.00 11.06 ? 250 VAL A HB 1 ATOM 3643 H HG11 . VAL A 1 250 ? 42.208 3.376 0.767 1.00 11.06 ? 250 VAL A HG11 1 ATOM 3644 H HG12 . VAL A 1 250 ? 42.417 1.833 0.580 1.00 11.06 ? 250 VAL A HG12 1 ATOM 3645 H HG13 . VAL A 1 250 ? 41.861 2.386 1.939 1.00 11.06 ? 250 VAL A HG13 1 ATOM 3646 H HG21 . VAL A 1 250 ? 40.037 0.475 1.071 1.00 11.06 ? 250 VAL A HG21 1 ATOM 3647 H HG22 . VAL A 1 250 ? 40.769 0.514 -0.320 1.00 11.06 ? 250 VAL A HG22 1 ATOM 3648 H HG23 . VAL A 1 250 ? 39.243 0.871 -0.227 1.00 11.06 ? 250 VAL A HG23 1 ATOM 3649 N N . LEU A 1 251 ? 40.262 4.691 2.936 1.00 8.28 ? 251 LEU A N 1 ATOM 3650 C CA . LEU A 1 251 ? 40.843 5.964 3.323 1.00 8.81 ? 251 LEU A CA 1 ATOM 3651 C C . LEU A 1 251 ? 42.317 5.714 3.446 1.00 9.20 ? 251 LEU A C 1 ATOM 3652 O O . LEU A 1 251 ? 42.765 4.899 4.267 1.00 9.77 ? 251 LEU A O 1 ATOM 3653 C CB . LEU A 1 251 ? 40.283 6.442 4.642 1.00 9.34 ? 251 LEU A CB 1 ATOM 3654 C CG A LEU A 1 251 ? 40.781 7.796 5.081 0.50 10.06 ? 251 LEU A CG 1 ATOM 3655 C CG B LEU A 1 251 ? 40.733 7.814 5.110 0.50 12.23 ? 251 LEU A CG 1 ATOM 3656 C CD1 A LEU A 1 251 ? 40.318 8.908 4.198 0.50 10.20 ? 251 LEU A CD1 1 ATOM 3657 C CD1 B LEU A 1 251 ? 42.075 7.765 5.812 0.50 13.57 ? 251 LEU A CD1 1 ATOM 3658 C CD2 A LEU A 1 251 ? 40.171 8.053 6.467 0.50 11.54 ? 251 LEU A CD2 1 ATOM 3659 C CD2 B LEU A 1 251 ? 40.711 8.858 4.024 0.50 16.90 ? 251 LEU A CD2 1 ATOM 3660 H H . LEU A 1 251 ? 40.240 4.025 3.695 1.00 11.06 ? 251 LEU A H 1 ATOM 3661 H HA . LEU A 1 251 ? 40.676 6.637 2.632 1.00 11.42 ? 251 LEU A HA 1 ATOM 3662 H HB2 . LEU A 1 251 ? 39.317 6.481 4.559 1.00 10.77 ? 251 LEU A HB2 1 ATOM 3663 H HB3 . LEU A 1 251 ? 40.513 5.797 5.329 1.00 10.78 ? 251 LEU A HB3 1 ATOM 3664 H HG A LEU A 1 251 ? 41.748 7.811 5.149 0.50 9.95 ? 251 LEU A HG 1 ATOM 3665 H HG B LEU A 1 251 ? 40.093 8.109 5.776 0.50 12.19 ? 251 LEU A HG 1 ATOM 3666 H HD11 A LEU A 1 251 ? 40.827 8.893 3.384 0.50 11.11 ? 251 LEU A HD11 1 ATOM 3667 H HD11 B LEU A 1 251 ? 42.252 6.873 6.121 0.50 10.80 ? 251 LEU A HD11 1 ATOM 3668 H HD12 A LEU A 1 251 ? 40.452 9.743 4.652 0.50 11.11 ? 251 LEU A HD12 1 ATOM 3669 H HD12 B LEU A 1 251 ? 42.053 8.367 6.560 0.50 10.80 ? 251 LEU A HD12 1 ATOM 3670 H HD13 A LEU A 1 251 ? 39.385 8.787 4.004 0.50 11.11 ? 251 LEU A HD13 1 ATOM 3671 H HD13 B LEU A 1 251 ? 42.756 8.039 5.195 0.50 10.80 ? 251 LEU A HD13 1 ATOM 3672 H HD21 A LEU A 1 251 ? 39.215 7.990 6.405 0.50 10.78 ? 251 LEU A HD21 1 ATOM 3673 H HD21 B LEU A 1 251 ? 41.498 8.763 3.484 0.50 11.73 ? 251 LEU A HD21 1 ATOM 3674 H HD22 A LEU A 1 251 ? 40.423 8.932 6.759 0.50 10.78 ? 251 LEU A HD22 1 ATOM 3675 H HD22 B LEU A 1 251 ? 40.695 9.728 4.430 0.50 11.73 ? 251 LEU A HD22 1 ATOM 3676 H HD23 A LEU A 1 251 ? 40.505 7.396 7.082 0.50 10.78 ? 251 LEU A HD23 1 ATOM 3677 H HD23 B LEU A 1 251 ? 39.926 8.733 3.486 0.50 11.73 ? 251 LEU A HD23 1 ATOM 3678 N N . ASN A 1 252 ? 43.088 6.386 2.608 1.00 9.73 ? 252 ASN A N 1 ATOM 3679 C CA . ASN A 1 252 ? 44.532 6.342 2.680 1.00 10.61 ? 252 ASN A CA 1 ATOM 3680 C C . ASN A 1 252 ? 44.976 7.498 3.537 1.00 10.62 ? 252 ASN A C 1 ATOM 3681 O O . ASN A 1 252 ? 44.675 8.652 3.210 1.00 12.91 ? 252 ASN A O 1 ATOM 3682 C CB . ASN A 1 252 ? 45.112 6.609 1.294 1.00 13.19 ? 252 ASN A CB 1 ATOM 3683 C CG A ASN A 1 252 ? 44.765 5.669 0.316 0.50 10.74 ? 252 ASN A CG 1 ATOM 3684 C CG B ASN A 1 252 ? 46.541 6.107 1.200 0.50 11.34 ? 252 ASN A CG 1 ATOM 3685 O OD1 A ASN A 1 252 ? 45.444 4.703 0.255 0.50 12.36 ? 252 ASN A OD1 1 ATOM 3686 O OD1 B ASN A 1 252 ? 47.237 6.085 2.205 0.50 12.97 ? 252 ASN A OD1 1 ATOM 3687 N ND2 A ASN A 1 252 ? 43.748 5.913 -0.507 0.50 12.59 ? 252 ASN A ND2 1 ATOM 3688 N ND2 B ASN A 1 252 ? 47.000 5.754 0.021 0.50 20.16 ? 252 ASN A ND2 1 ATOM 3689 H H . ASN A 1 252 ? 42.731 6.981 1.873 1.00 11.42 ? 252 ASN A H 1 ATOM 3690 H HA . ASN A 1 252 ? 44.859 5.488 3.033 1.00 11.90 ? 252 ASN A HA 1 ATOM 3691 N N . ALA A 1 253 ? 45.627 7.191 4.642 1.00 10.00 ? 253 ALA A N 1 ATOM 3692 C CA . ALA A 1 253 ? 46.061 8.235 5.574 1.00 10.37 ? 253 ALA A CA 1 ATOM 3693 C C . ALA A 1 253 ? 47.347 8.866 5.029 1.00 11.69 ? 253 ALA A C 1 ATOM 3694 O O . ALA A 1 253 ? 48.433 8.682 5.579 1.00 13.23 ? 253 ALA A O 1 ATOM 3695 C CB . ALA A 1 253 ? 46.216 7.657 6.951 1.00 11.52 ? 253 ALA A CB 1 ATOM 3696 H H . ALA A 1 253 ? 45.870 6.251 4.923 1.00 11.90 ? 253 ALA A H 1 ATOM 3697 H HA . ALA A 1 253 ? 45.376 8.934 5.624 1.00 11.82 ? 253 ALA A HA 1 ATOM 3698 H HB1 . ALA A 1 253 ? 45.374 7.291 7.231 1.00 11.90 ? 253 ALA A HB1 1 ATOM 3699 H HB2 . ALA A 1 253 ? 46.487 8.354 7.553 1.00 11.90 ? 253 ALA A HB2 1 ATOM 3700 H HB3 . ALA A 1 253 ? 46.882 6.966 6.929 1.00 11.90 ? 253 ALA A HB3 1 ATOM 3701 N N . ASN A 1 254 ? 47.201 9.584 3.939 1.00 12.23 ? 254 ASN A N 1 ATOM 3702 C CA . ASN A 1 254 ? 48.317 10.038 3.114 1.00 14.31 ? 254 ASN A CA 1 ATOM 3703 C C . ASN A 1 254 ? 48.419 11.543 3.102 1.00 13.75 ? 254 ASN A C 1 ATOM 3704 O O . ASN A 1 254 ? 49.144 12.068 2.235 1.00 16.65 ? 254 ASN A O 1 ATOM 3705 C CB . ASN A 1 254 ? 48.178 9.507 1.659 1.00 17.18 ? 254 ASN A CB 1 ATOM 3706 C CG . ASN A 1 254 ? 46.960 10.043 0.951 1.00 18.20 ? 254 ASN A CG 1 ATOM 3707 O OD1 . ASN A 1 254 ? 46.191 10.803 1.483 1.00 16.47 ? 254 ASN A OD1 1 ATOM 3708 N ND2 . ASN A 1 254 ? 46.786 9.623 -0.294 1.00 21.75 ? 254 ASN A ND2 1 ATOM 3709 H H . ASN A 1 254 ? 46.303 9.897 3.600 1.00 12.58 ? 254 ASN A H 1 ATOM 3710 H HA . ASN A 1 254 ? 49.155 9.683 3.475 1.00 13.33 ? 254 ASN A HA 1 ATOM 3711 H HB2 . ASN A 1 254 ? 48.960 9.756 1.146 1.00 14.42 ? 254 ASN A HB2 1 ATOM 3712 H HB3 . ASN A 1 254 ? 48.100 8.542 1.686 1.00 14.42 ? 254 ASN A HB3 1 ATOM 3713 H HD21 . ASN A 1 254 ? 46.014 9.934 -0.812 1.00 19.15 ? 254 ASN A HD21 1 ATOM 3714 H HD22 . ASN A 1 254 ? 47.428 9.002 -0.699 1.00 19.15 ? 254 ASN A HD22 1 ATOM 3715 N N . GLN A 1 255 ? 47.789 12.231 4.048 1.00 12.65 ? 255 GLN A N 1 ATOM 3716 C CA . GLN A 1 255 ? 47.880 13.660 4.181 1.00 12.15 ? 255 GLN A CA 1 ATOM 3717 C C . GLN A 1 255 ? 48.786 13.996 5.343 1.00 12.25 ? 255 GLN A C 1 ATOM 3718 O O . GLN A 1 255 ? 49.095 13.127 6.156 1.00 12.42 ? 255 GLN A O 1 ATOM 3719 C CB . GLN A 1 255 ? 46.498 14.268 4.360 1.00 12.44 ? 255 GLN A CB 1 ATOM 3720 C CG . GLN A 1 255 ? 45.592 13.977 3.181 1.00 13.65 ? 255 GLN A CG 1 ATOM 3721 C CD . GLN A 1 255 ? 46.114 14.501 1.885 1.00 14.13 ? 255 GLN A CD 1 ATOM 3722 O OE1 . GLN A 1 255 ? 46.404 15.690 1.779 1.00 15.19 ? 255 GLN A OE1 1 ATOM 3723 N NE2 . GLN A 1 255 ? 46.319 13.628 0.938 1.00 15.44 ? 255 GLN A NE2 1 ATOM 3724 H H . GLN A 1 255 ? 47.199 11.815 4.754 1.00 31.06 ? 255 GLN A H 1 ATOM 3725 H HA . GLN A 1 255 ? 48.278 14.036 3.370 1.00 32.48 ? 255 GLN A HA 1 ATOM 3726 H HB2 . GLN A 1 255 ? 46.087 13.894 5.155 1.00 31.08 ? 255 GLN A HB2 1 ATOM 3727 H HB3 . GLN A 1 255 ? 46.571 15.230 4.446 1.00 31.09 ? 255 GLN A HB3 1 ATOM 3728 H HG2 . GLN A 1 255 ? 45.473 13.017 3.102 1.00 14.00 ? 255 GLN A HG2 1 ATOM 3729 H HG3 . GLN A 1 255 ? 44.735 14.399 3.341 1.00 14.00 ? 255 GLN A HG3 1 ATOM 3730 H HE21 . GLN A 1 255 ? 45.805 12.942 0.859 1.00 14.00 ? 255 GLN A HE21 1 ATOM 3731 H HE22 . GLN A 1 255 ? 46.969 13.740 0.386 1.00 14.00 ? 255 GLN A HE22 1 ATOM 3732 N N . PRO A 1 256 ? 49.225 15.238 5.457 1.00 12.19 ? 256 PRO A N 1 ATOM 3733 C CA . PRO A 1 256 ? 50.086 15.568 6.568 1.00 13.11 ? 256 PRO A CA 1 ATOM 3734 C C . PRO A 1 256 ? 49.435 15.264 7.907 1.00 12.75 ? 256 PRO A C 1 ATOM 3735 O O . PRO A 1 256 ? 48.248 15.446 8.084 1.00 12.97 ? 256 PRO A O 1 ATOM 3736 C CB . PRO A 1 256 ? 50.315 17.071 6.360 1.00 14.12 ? 256 PRO A CB 1 ATOM 3737 C CG . PRO A 1 256 ? 50.156 17.267 4.882 1.00 14.67 ? 256 PRO A CG 1 ATOM 3738 C CD . PRO A 1 256 ? 49.038 16.358 4.534 1.00 13.31 ? 256 PRO A CD 1 ATOM 3739 H HA . PRO A 1 256 ? 50.939 15.092 6.492 1.00 27.68 ? 256 PRO A HA 1 ATOM 3740 H HB2 . PRO A 1 256 ? 49.650 17.581 6.848 1.00 13.38 ? 256 PRO A HB2 1 ATOM 3741 H HB3 . PRO A 1 256 ? 51.211 17.310 6.645 1.00 13.38 ? 256 PRO A HB3 1 ATOM 3742 H HG2 . PRO A 1 256 ? 49.926 18.190 4.693 1.00 28.26 ? 256 PRO A HG2 1 ATOM 3743 H HG3 . PRO A 1 256 ? 50.971 17.009 4.424 1.00 28.26 ? 256 PRO A HG3 1 ATOM 3744 H HD2 . PRO A 1 256 ? 48.190 16.795 4.695 1.00 32.50 ? 256 PRO A HD2 1 ATOM 3745 H HD3 . PRO A 1 256 ? 49.116 16.073 3.613 1.00 32.49 ? 256 PRO A HD3 1 ATOM 3746 N N . VAL A 1 257 ? 50.236 14.778 8.840 1.00 13.12 ? 257 VAL A N 1 ATOM 3747 C CA . VAL A 1 257 ? 49.722 14.555 10.166 1.00 13.63 ? 257 VAL A CA 1 ATOM 3748 C C . VAL A 1 257 ? 49.021 15.800 10.649 1.00 13.71 ? 257 VAL A C 1 ATOM 3749 O O . VAL A 1 257 ? 49.614 16.867 10.693 1.00 14.51 ? 257 VAL A O 1 ATOM 3750 C CB . VAL A 1 257 ? 50.845 14.103 11.110 1.00 14.33 ? 257 VAL A CB 1 ATOM 3751 C CG1 . VAL A 1 257 ? 50.426 14.172 12.557 1.00 15.44 ? 257 VAL A CG1 1 ATOM 3752 C CG2 . VAL A 1 257 ? 51.319 12.721 10.723 1.00 15.45 ? 257 VAL A CG2 1 ATOM 3753 H H . VAL A 1 257 ? 51.211 14.556 8.701 1.00 24.56 ? 257 VAL A H 1 ATOM 3754 H HA . VAL A 1 257 ? 49.064 13.831 10.122 1.00 20.60 ? 257 VAL A HA 1 ATOM 3755 H HB . VAL A 1 257 ? 51.604 14.712 10.999 1.00 24.56 ? 257 VAL A HB 1 ATOM 3756 H HG11 . VAL A 1 257 ? 50.490 15.080 12.861 1.00 20.98 ? 257 VAL A HG11 1 ATOM 3757 H HG12 . VAL A 1 257 ? 51.010 13.618 13.080 1.00 20.98 ? 257 VAL A HG12 1 ATOM 3758 H HG13 . VAL A 1 257 ? 49.523 13.858 12.640 1.00 20.98 ? 257 VAL A HG13 1 ATOM 3759 H HG21 . VAL A 1 257 ? 50.569 12.123 10.718 1.00 21.77 ? 257 VAL A HG21 1 ATOM 3760 H HG22 . VAL A 1 257 ? 51.969 12.423 11.363 1.00 21.78 ? 257 VAL A HG22 1 ATOM 3761 H HG23 . VAL A 1 257 ? 51.718 12.752 9.851 1.00 21.80 ? 257 VAL A HG23 1 ATOM 3762 N N . GLY A 1 258 ? 47.794 15.633 11.097 1.00 12.34 ? 258 GLY A N 1 ATOM 3763 C CA . GLY A 1 258 ? 47.006 16.754 11.487 1.00 12.88 ? 258 GLY A CA 1 ATOM 3764 C C . GLY A 1 258 ? 45.590 16.306 11.766 1.00 11.56 ? 258 GLY A C 1 ATOM 3765 O O . GLY A 1 258 ? 45.295 15.126 11.843 1.00 12.04 ? 258 GLY A O 1 ATOM 3766 H H . GLY A 1 258 ? 47.326 14.748 11.181 1.00 19.49 ? 258 GLY A H 1 ATOM 3767 H HA2 . GLY A 1 258 ? 47.375 17.156 12.289 1.00 12.05 ? 258 GLY A HA2 1 ATOM 3768 H HA3 . GLY A 1 258 ? 46.992 17.416 10.778 1.00 12.05 ? 258 GLY A HA3 1 ATOM 3769 N N . ASN A 1 259 ? 44.733 17.293 11.874 1.00 10.77 ? 259 ASN A N 1 ATOM 3770 C CA . ASN A 1 259 ? 43.323 17.136 12.099 1.00 10.44 ? 259 ASN A CA 1 ATOM 3771 C C . ASN A 1 259 ? 42.550 17.607 10.888 1.00 10.47 ? 259 ASN A C 1 ATOM 3772 O O . ASN A 1 259 ? 42.838 18.684 10.358 1.00 11.37 ? 259 ASN A O 1 ATOM 3773 C CB . ASN A 1 259 ? 42.938 17.990 13.297 1.00 11.55 ? 259 ASN A CB 1 ATOM 3774 C CG . ASN A 1 259 ? 43.555 17.498 14.548 1.00 11.89 ? 259 ASN A CG 1 ATOM 3775 O OD1 . ASN A 1 259 ? 43.199 16.453 15.065 1.00 14.78 ? 259 ASN A OD1 1 ATOM 3776 N ND2 . ASN A 1 259 ? 44.530 18.240 15.044 1.00 14.28 ? 259 ASN A ND2 1 ATOM 3777 H H . ASN A 1 259 ? 45.006 18.263 11.801 1.00 12.05 ? 259 ASN A H 1 ATOM 3778 H HA . ASN A 1 259 ? 43.101 16.204 12.292 1.00 10.18 ? 259 ASN A HA 1 ATOM 3779 H HB2 . ASN A 1 259 ? 43.222 18.905 13.146 1.00 12.05 ? 259 ASN A HB2 1 ATOM 3780 H HB3 . ASN A 1 259 ? 41.977 17.957 13.413 1.00 12.05 ? 259 ASN A HB3 1 ATOM 3781 H HD21 . ASN A 1 259 ? 44.661 18.288 16.014 1.00 12.05 ? 259 ASN A HD21 1 ATOM 3782 H HD22 . ASN A 1 259 ? 45.124 18.740 14.445 1.00 12.05 ? 259 ASN A HD22 1 ATOM 3783 N N . TYR A 1 260 ? 41.546 16.847 10.483 1.00 9.37 ? 260 TYR A N 1 ATOM 3784 C CA . TYR A 1 260 ? 40.802 17.148 9.285 1.00 9.59 ? 260 TYR A CA 1 ATOM 3785 C C . TYR A 1 260 ? 39.319 16.998 9.603 1.00 8.95 ? 260 TYR A C 1 ATOM 3786 O O . TYR A 1 260 ? 38.941 16.028 10.274 1.00 9.65 ? 260 TYR A O 1 ATOM 3787 C CB . TYR A 1 260 ? 41.152 16.135 8.198 1.00 9.54 ? 260 TYR A CB 1 ATOM 3788 C CG . TYR A 1 260 ? 42.585 16.264 7.762 1.00 9.68 ? 260 TYR A CG 1 ATOM 3789 C CD1 . TYR A 1 260 ? 43.596 15.633 8.484 1.00 9.89 ? 260 TYR A CD1 1 ATOM 3790 C CD2 . TYR A 1 260 ? 42.933 17.013 6.649 1.00 10.58 ? 260 TYR A CD2 1 ATOM 3791 C CE1 . TYR A 1 260 ? 44.930 15.800 8.123 1.00 10.78 ? 260 TYR A CE1 1 ATOM 3792 C CE2 . TYR A 1 260 ? 44.271 17.139 6.267 1.00 11.23 ? 260 TYR A CE2 1 ATOM 3793 C CZ . TYR A 1 260 ? 45.228 16.552 7.041 1.00 10.85 ? 260 TYR A CZ 1 ATOM 3794 O OH . TYR A 1 260 ? 46.541 16.752 6.648 1.00 13.17 ? 260 TYR A OH 1 ATOM 3795 H H . TYR A 1 260 ? 41.230 16.016 10.964 1.00 10.18 ? 260 TYR A H 1 ATOM 3796 H HA . TYR A 1 260 ? 40.978 18.055 8.960 1.00 9.07 ? 260 TYR A HA 1 ATOM 3797 H HB2 . TYR A 1 260 ? 41.021 15.239 8.541 1.00 10.71 ? 260 TYR A HB2 1 ATOM 3798 H HB3 . TYR A 1 260 ? 40.584 16.285 7.425 1.00 10.71 ? 260 TYR A HB3 1 ATOM 3799 H HD1 . TYR A 1 260 ? 43.382 15.150 9.249 1.00 10.43 ? 260 TYR A HD1 1 ATOM 3800 H HD2 . TYR A 1 260 ? 42.271 17.435 6.151 1.00 10.81 ? 260 TYR A HD2 1 ATOM 3801 H HE1 . TYR A 1 260 ? 45.606 15.398 8.620 1.00 10.43 ? 260 TYR A HE1 1 ATOM 3802 H HE2 . TYR A 1 260 ? 44.508 17.668 5.541 1.00 10.81 ? 260 TYR A HE2 1 ATOM 3803 N N . TRP A 1 261 ? 38.484 17.907 9.163 1.00 8.85 ? 261 TRP A N 1 ATOM 3804 C CA . TRP A 1 261 ? 37.087 17.755 9.407 1.00 8.52 ? 261 TRP A CA 1 ATOM 3805 C C . TRP A 1 261 ? 36.509 16.620 8.566 1.00 8.34 ? 261 TRP A C 1 ATOM 3806 O O . TRP A 1 261 ? 36.751 16.507 7.383 1.00 9.20 ? 261 TRP A O 1 ATOM 3807 C CB . TRP A 1 261 ? 36.296 19.009 9.062 1.00 9.18 ? 261 TRP A CB 1 ATOM 3808 C CG . TRP A 1 261 ? 36.533 20.158 9.990 1.00 9.24 ? 261 TRP A CG 1 ATOM 3809 C CD1 . TRP A 1 261 ? 37.112 21.307 9.675 1.00 9.80 ? 261 TRP A CD1 1 ATOM 3810 C CD2 . TRP A 1 261 ? 36.173 20.259 11.357 1.00 9.22 ? 261 TRP A CD2 1 ATOM 3811 N NE1 . TRP A 1 261 ? 37.135 22.168 10.732 1.00 11.03 ? 261 TRP A NE1 1 ATOM 3812 C CE2 . TRP A 1 261 ? 36.549 21.543 11.786 1.00 10.05 ? 261 TRP A CE2 1 ATOM 3813 C CE3 . TRP A 1 261 ? 35.527 19.412 12.274 1.00 9.94 ? 261 TRP A CE3 1 ATOM 3814 C CZ2 . TRP A 1 261 ? 36.335 21.998 13.089 1.00 10.98 ? 261 TRP A CZ2 1 ATOM 3815 C CZ3 . TRP A 1 261 ? 35.286 19.873 13.531 1.00 11.80 ? 261 TRP A CZ3 1 ATOM 3816 C CH2 . TRP A 1 261 ? 35.697 21.155 13.938 1.00 11.46 ? 261 TRP A CH2 1 ATOM 3817 H H . TRP A 1 261 ? 38.745 18.736 8.648 1.00 9.07 ? 261 TRP A H 1 ATOM 3818 H HA . TRP A 1 261 ? 36.939 17.563 10.356 1.00 10.31 ? 261 TRP A HA 1 ATOM 3819 H HB2 . TRP A 1 261 ? 36.529 19.293 8.167 1.00 9.07 ? 261 TRP A HB2 1 ATOM 3820 H HB3 . TRP A 1 261 ? 35.349 18.800 9.099 1.00 9.07 ? 261 TRP A HB3 1 ATOM 3821 H HD1 . TRP A 1 261 ? 37.451 21.499 8.833 1.00 11.73 ? 261 TRP A HD1 1 ATOM 3822 H HE3 . TRP A 1 261 ? 35.226 18.574 12.011 1.00 11.73 ? 261 TRP A HE3 1 ATOM 3823 H HZ2 . TRP A 1 261 ? 36.609 22.845 13.359 1.00 11.73 ? 261 TRP A HZ2 1 ATOM 3824 H HZ3 . TRP A 1 261 ? 34.873 19.313 14.146 1.00 11.73 ? 261 TRP A HZ3 1 ATOM 3825 H HH2 . TRP A 1 261 ? 35.553 21.420 14.818 1.00 11.73 ? 261 TRP A HH2 1 ATOM 3826 N N . ILE A 1 262 ? 35.648 15.857 9.229 1.00 8.02 ? 262 ILE A N 1 ATOM 3827 C CA . ILE A 1 262 ? 34.750 14.902 8.614 1.00 8.06 ? 262 ILE A CA 1 ATOM 3828 C C . ILE A 1 262 ? 33.399 15.589 8.589 1.00 8.15 ? 262 ILE A C 1 ATOM 3829 O O . ILE A 1 262 ? 32.931 16.094 9.609 1.00 8.71 ? 262 ILE A O 1 ATOM 3830 C CB . ILE A 1 262 ? 34.694 13.609 9.420 1.00 8.19 ? 262 ILE A CB 1 ATOM 3831 C CG1 . ILE A 1 262 ? 36.027 12.924 9.481 1.00 9.35 ? 262 ILE A CG1 1 ATOM 3832 C CG2 . ILE A 1 262 ? 33.615 12.706 8.842 1.00 8.41 ? 262 ILE A CG2 1 ATOM 3833 C CD1 . ILE A 1 262 ? 36.132 11.825 10.496 1.00 10.80 ? 262 ILE A CD1 1 ATOM 3834 H H . ILE A 1 262 ? 35.548 15.885 10.233 1.00 10.31 ? 262 ILE A H 1 ATOM 3835 H HA . ILE A 1 262 ? 35.033 14.695 7.699 1.00 10.29 ? 262 ILE A HA 1 ATOM 3836 H HB . ILE A 1 262 ? 34.434 13.839 10.325 1.00 10.31 ? 262 ILE A HB 1 ATOM 3837 H HG12 . ILE A 1 262 ? 36.213 12.536 8.611 1.00 10.76 ? 262 ILE A HG12 1 ATOM 3838 H HG13 . ILE A 1 262 ? 36.709 13.579 9.695 1.00 10.76 ? 262 ILE A HG13 1 ATOM 3839 H HG21 . ILE A 1 262 ? 32.767 12.946 9.222 1.00 10.29 ? 262 ILE A HG21 1 ATOM 3840 H HG22 . ILE A 1 262 ? 33.815 11.792 9.058 1.00 10.29 ? 262 ILE A HG22 1 ATOM 3841 H HG23 . ILE A 1 262 ? 33.589 12.812 7.888 1.00 10.29 ? 262 ILE A HG23 1 ATOM 3842 H HD11 . ILE A 1 262 ? 35.523 11.997 11.217 1.00 10.50 ? 262 ILE A HD11 1 ATOM 3843 H HD12 . ILE A 1 262 ? 37.032 11.792 10.828 1.00 10.50 ? 262 ILE A HD12 1 ATOM 3844 H HD13 . ILE A 1 262 ? 35.910 10.996 10.069 1.00 10.50 ? 262 ILE A HD13 1 ATOM 3845 N N . ARG A 1 263 ? 32.785 15.635 7.414 1.00 7.76 ? 263 ARG A N 1 ATOM 3846 C CA . ARG A 1 263 ? 31.578 16.395 7.193 1.00 7.89 ? 263 ARG A CA 1 ATOM 3847 C C . ARG A 1 263 ? 30.481 15.468 6.796 1.00 7.44 ? 263 ARG A C 1 ATOM 3848 O O . ARG A 1 263 ? 30.672 14.581 5.959 1.00 8.21 ? 263 ARG A O 1 ATOM 3849 C CB . ARG A 1 263 ? 31.829 17.383 6.065 1.00 8.73 ? 263 ARG A CB 1 ATOM 3850 C CG . ARG A 1 263 ? 32.869 18.393 6.417 1.00 10.40 ? 263 ARG A CG 1 ATOM 3851 C CD . ARG A 1 263 ? 33.074 19.414 5.335 1.00 10.83 ? 263 ARG A CD 1 ATOM 3852 N NE . ARG A 1 263 ? 34.245 20.246 5.623 1.00 11.03 ? 263 ARG A NE 1 ATOM 3853 C CZ . ARG A 1 263 ? 34.217 21.251 6.499 1.00 11.24 ? 263 ARG A CZ 1 ATOM 3854 N NH1 . ARG A 1 263 ? 33.076 21.689 7.002 1.00 13.82 ? 263 ARG A NH1 1 ATOM 3855 N NH2 . ARG A 1 263 ? 35.377 21.841 6.840 1.00 11.38 ? 263 ARG A NH2 1 ATOM 3856 H H . ARG A 1 263 ? 33.106 15.147 6.589 1.00 10.29 ? 263 ARG A H 1 ATOM 3857 H HA . ARG A 1 263 ? 31.318 16.892 7.996 1.00 7.86 ? 263 ARG A HA 1 ATOM 3858 H HB2 . ARG A 1 263 ? 32.132 16.899 5.281 1.00 10.29 ? 263 ARG A HB2 1 ATOM 3859 H HB3 . ARG A 1 263 ? 31.006 17.857 5.867 1.00 10.29 ? 263 ARG A HB3 1 ATOM 3860 H HG2 . ARG A 1 263 ? 32.598 18.859 7.223 1.00 10.28 ? 263 ARG A HG2 1 ATOM 3861 H HG3 . ARG A 1 263 ? 33.716 17.943 6.562 1.00 10.28 ? 263 ARG A HG3 1 ATOM 3862 H HD2 . ARG A 1 263 ? 33.239 18.952 4.499 1.00 13.20 ? 263 ARG A HD2 1 ATOM 3863 H HD3 . ARG A 1 263 ? 32.286 19.972 5.249 1.00 13.20 ? 263 ARG A HD3 1 ATOM 3864 H HE . ARG A 1 263 ? 34.969 20.230 4.980 1.00 13.20 ? 263 ARG A HE 1 ATOM 3865 H HH11 . ARG A 1 263 ? 32.343 21.285 6.828 1.00 13.20 ? 263 ARG A HH11 1 ATOM 3866 H HH12 . ARG A 1 263 ? 33.074 22.357 7.543 1.00 13.20 ? 263 ARG A HH12 1 ATOM 3867 H HH21 . ARG A 1 263 ? 36.112 21.588 6.473 1.00 13.20 ? 263 ARG A HH21 1 ATOM 3868 H HH22 . ARG A 1 263 ? 35.371 22.547 7.332 1.00 13.20 ? 263 ARG A HH22 1 ATOM 3869 N N . ALA A 1 264 ? 29.294 15.709 7.348 1.00 7.42 ? 264 ALA A N 1 ATOM 3870 C CA . ALA A 1 264 ? 28.100 14.975 6.925 1.00 7.28 ? 264 ALA A CA 1 ATOM 3871 C C . ALA A 1 264 ? 26.976 15.961 6.893 1.00 7.44 ? 264 ALA A C 1 ATOM 3872 O O . ALA A 1 264 ? 26.384 16.272 7.928 1.00 8.19 ? 264 ALA A O 1 ATOM 3873 C CB . ALA A 1 264 ? 27.808 13.814 7.847 1.00 7.69 ? 264 ALA A CB 1 ATOM 3874 H H . ALA A 1 264 ? 29.127 16.388 8.078 1.00 7.86 ? 264 ALA A H 1 ATOM 3875 H HA . ALA A 1 264 ? 28.221 14.617 6.022 1.00 11.03 ? 264 ALA A HA 1 ATOM 3876 H HB1 . ALA A 1 264 ? 28.490 13.147 7.733 1.00 8.12 ? 264 ALA A HB1 1 ATOM 3877 H HB2 . ALA A 1 264 ? 26.950 13.445 7.625 1.00 8.12 ? 264 ALA A HB2 1 ATOM 3878 H HB3 . ALA A 1 264 ? 27.806 14.128 8.754 1.00 8.12 ? 264 ALA A HB3 1 ATOM 3879 N N . GLN A 1 265 ? 26.683 16.506 5.722 1.00 7.97 ? 265 GLN A N 1 ATOM 3880 C CA . GLN A 1 265 ? 25.680 17.557 5.577 1.00 8.40 ? 265 GLN A CA 1 ATOM 3881 C C . GLN A 1 265 ? 24.345 16.931 5.252 1.00 7.86 ? 265 GLN A C 1 ATOM 3882 O O . GLN A 1 265 ? 24.168 16.420 4.158 1.00 8.30 ? 265 GLN A O 1 ATOM 3883 C CB . GLN A 1 265 ? 26.094 18.502 4.472 1.00 9.56 ? 265 GLN A CB 1 ATOM 3884 C CG . GLN A 1 265 ? 25.005 19.494 4.095 1.00 10.95 ? 265 GLN A CG 1 ATOM 3885 C CD . GLN A 1 265 ? 24.720 20.404 5.244 1.00 11.19 ? 265 GLN A CD 1 ATOM 3886 O OE1 . GLN A 1 265 ? 25.531 21.261 5.569 1.00 12.43 ? 265 GLN A OE1 1 ATOM 3887 N NE2 . GLN A 1 265 ? 23.589 20.213 5.885 1.00 10.97 ? 265 GLN A NE2 1 ATOM 3888 H H . GLN A 1 265 ? 27.122 16.239 4.853 1.00 11.02 ? 265 GLN A H 1 ATOM 3889 H HA . GLN A 1 265 ? 25.621 18.073 6.405 1.00 14.81 ? 265 GLN A HA 1 ATOM 3890 H HB2 . GLN A 1 265 ? 26.871 19.006 4.763 1.00 11.02 ? 265 GLN A HB2 1 ATOM 3891 H HB3 . GLN A 1 265 ? 26.311 17.990 3.679 1.00 11.02 ? 265 GLN A HB3 1 ATOM 3892 H HG2 . GLN A 1 265 ? 25.321 20.039 3.357 1.00 14.60 ? 265 GLN A HG2 1 ATOM 3893 H HG3 . GLN A 1 265 ? 24.192 19.034 3.836 1.00 14.61 ? 265 GLN A HG3 1 ATOM 3894 H HE21 . GLN A 1 265 ? 23.514 20.464 6.704 1.00 14.91 ? 265 GLN A HE21 1 ATOM 3895 H HE22 . GLN A 1 265 ? 22.921 19.844 5.489 1.00 14.89 ? 265 GLN A HE22 1 ATOM 3896 N N . PRO A 1 266 ? 23.367 16.990 6.157 1.00 8.17 ? 266 PRO A N 1 ATOM 3897 C CA . PRO A 1 266 ? 22.062 16.438 5.817 1.00 8.53 ? 266 PRO A CA 1 ATOM 3898 C C . PRO A 1 266 ? 21.318 17.353 4.834 1.00 8.64 ? 266 PRO A C 1 ATOM 3899 O O . PRO A 1 266 ? 21.569 18.560 4.768 1.00 9.62 ? 266 PRO A O 1 ATOM 3900 C CB . PRO A 1 266 ? 21.331 16.436 7.166 1.00 8.36 ? 266 PRO A CB 1 ATOM 3901 C CG . PRO A 1 266 ? 22.005 17.564 7.936 1.00 8.73 ? 266 PRO A CG 1 ATOM 3902 C CD . PRO A 1 266 ? 23.441 17.484 7.545 1.00 9.22 ? 266 PRO A CD 1 ATOM 3903 H HA . PRO A 1 266 ? 22.135 15.527 5.473 1.00 8.77 ? 266 PRO A HA 1 ATOM 3904 H HB2 . PRO A 1 266 ? 20.388 16.611 7.035 1.00 8.67 ? 266 PRO A HB2 1 ATOM 3905 H HB3 . PRO A 1 266 ? 21.461 15.587 7.612 1.00 8.67 ? 266 PRO A HB3 1 ATOM 3906 H HG2 . PRO A 1 266 ? 21.626 18.416 7.672 1.00 9.03 ? 266 PRO A HG2 1 ATOM 3907 H HG3 . PRO A 1 266 ? 21.899 17.419 8.889 1.00 9.03 ? 266 PRO A HG3 1 ATOM 3908 H HD2 . PRO A 1 266 ? 23.848 18.360 7.591 1.00 14.81 ? 266 PRO A HD2 1 ATOM 3909 H HD3 . PRO A 1 266 ? 23.902 16.845 8.109 1.00 14.81 ? 266 PRO A HD3 1 ATOM 3910 N N . ASN A 1 267 ? 20.359 16.773 4.143 1.00 8.67 ? 267 ASN A N 1 ATOM 3911 C CA . ASN A 1 267 ? 19.593 17.538 3.202 1.00 9.55 ? 267 ASN A CA 1 ATOM 3912 C C . ASN A 1 267 ? 18.504 18.372 3.835 1.00 10.54 ? 267 ASN A C 1 ATOM 3913 O O . ASN A 1 267 ? 17.940 19.218 3.184 1.00 15.39 ? 267 ASN A O 1 ATOM 3914 C CB . ASN A 1 267 ? 18.980 16.660 2.115 1.00 9.88 ? 267 ASN A CB 1 ATOM 3915 C CG . ASN A 1 267 ? 17.989 15.667 2.657 1.00 9.24 ? 267 ASN A CG 1 ATOM 3916 O OD1 . ASN A 1 267 ? 18.287 14.986 3.642 1.00 10.16 ? 267 ASN A OD1 1 ATOM 3917 N ND2 . ASN A 1 267 ? 16.885 15.508 1.991 1.00 12.31 ? 267 ASN A ND2 1 ATOM 3918 H H . ASN A 1 267 ? 20.107 15.798 4.221 1.00 8.77 ? 267 ASN A H 1 ATOM 3919 H HA . ASN A 1 267 ? 20.195 18.160 2.742 1.00 9.63 ? 267 ASN A HA 1 ATOM 3920 H HB2 . ASN A 1 267 ? 18.529 17.229 1.472 1.00 25.73 ? 267 ASN A HB2 1 ATOM 3921 H HB3 . ASN A 1 267 ? 19.689 16.163 1.676 1.00 25.71 ? 267 ASN A HB3 1 ATOM 3922 H HD21 . ASN A 1 267 ? 16.116 15.077 2.419 1.00 24.62 ? 267 ASN A HD21 1 ATOM 3923 H HD22 . ASN A 1 267 ? 16.817 15.813 1.062 1.00 24.63 ? 267 ASN A HD22 1 ATOM 3924 N N . SER A 1 268 ? 18.217 18.157 5.090 1.00 10.28 ? 268 SER A N 1 ATOM 3925 C CA . SER A 1 268 ? 17.337 18.984 5.885 1.00 10.71 ? 268 SER A CA 1 ATOM 3926 C C . SER A 1 268 ? 17.996 19.204 7.230 1.00 11.19 ? 268 SER A C 1 ATOM 3927 O O . SER A 1 268 ? 19.002 18.589 7.510 1.00 11.58 ? 268 SER A O 1 ATOM 3928 C CB . SER A 1 268 ? 15.982 18.316 6.032 1.00 12.77 ? 268 SER A CB 1 ATOM 3929 O OG . SER A 1 268 ? 16.142 17.088 6.689 1.00 14.72 ? 268 SER A OG 1 ATOM 3930 H H . SER A 1 268 ? 18.575 17.372 5.615 1.00 10.43 ? 268 SER A H 1 ATOM 3931 H HA . SER A 1 268 ? 17.208 19.858 5.461 1.00 10.91 ? 268 SER A HA 1 ATOM 3932 H HB2 . SER A 1 268 ? 15.397 18.886 6.555 1.00 15.58 ? 268 SER A HB2 1 ATOM 3933 H HB3 . SER A 1 268 ? 15.604 18.162 5.153 1.00 15.58 ? 268 SER A HB3 1 ATOM 3934 N N . GLY A 1 269 ? 17.420 20.036 8.053 1.00 12.64 ? 269 GLY A N 1 ATOM 3935 C CA . GLY A 1 269 ? 18.066 20.381 9.289 1.00 12.71 ? 269 GLY A CA 1 ATOM 3936 C C . GLY A 1 269 ? 19.198 21.373 9.054 1.00 12.52 ? 269 GLY A C 1 ATOM 3937 O O . GLY A 1 269 ? 19.246 22.075 8.029 1.00 13.54 ? 269 GLY A O 1 ATOM 3938 H H . GLY A 1 269 ? 16.526 20.482 7.901 1.00 15.58 ? 269 GLY A H 1 ATOM 3939 H HA2 . GLY A 1 269 ? 17.421 20.790 9.886 1.00 14.97 ? 269 GLY A HA2 1 ATOM 3940 H HA3 . GLY A 1 269 ? 18.423 19.589 9.721 1.00 14.97 ? 269 GLY A HA3 1 ATOM 3941 N N . GLY A 1 270 ? 20.133 21.435 9.975 1.00 12.55 ? 270 GLY A N 1 ATOM 3942 C CA . GLY A 1 270 ? 21.138 22.454 9.974 1.00 12.81 ? 270 GLY A CA 1 ATOM 3943 C C . GLY A 1 270 ? 21.974 22.387 8.730 1.00 11.73 ? 270 GLY A C 1 ATOM 3944 O O . GLY A 1 270 ? 22.498 21.349 8.390 1.00 11.84 ? 270 GLY A O 1 ATOM 3945 H H . GLY A 1 270 ? 20.227 20.777 10.718 1.00 14.97 ? 270 GLY A H 1 ATOM 3946 H HA2 . GLY A 1 270 ? 20.714 23.324 10.033 1.00 15.94 ? 270 GLY A HA2 1 ATOM 3947 H HA3 . GLY A 1 270 ? 21.717 22.340 10.744 1.00 15.94 ? 270 GLY A HA3 1 ATOM 3948 N N . GLN A 1 271 ? 22.170 23.548 8.115 1.00 13.25 ? 271 GLN A N 1 ATOM 3949 C CA . GLN A 1 271 ? 23.002 23.682 6.958 1.00 13.65 ? 271 GLN A CA 1 ATOM 3950 C C . GLN A 1 271 ? 24.294 24.322 7.340 1.00 13.28 ? 271 GLN A C 1 ATOM 3951 O O . GLN A 1 271 ? 24.355 25.329 8.026 1.00 17.46 ? 271 GLN A O 1 ATOM 3952 C CB . GLN A 1 271 ? 22.246 24.488 5.891 1.00 15.97 ? 271 GLN A CB 1 ATOM 3953 C CG . GLN A 1 271 ? 20.920 23.790 5.478 1.00 15.19 ? 271 GLN A CG 1 ATOM 3954 C CD . GLN A 1 271 ? 21.170 22.398 4.878 1.00 15.61 ? 271 GLN A CD 1 ATOM 3955 O OE1 . GLN A 1 271 ? 21.864 22.248 3.881 1.00 16.96 ? 271 GLN A OE1 1 ATOM 3956 N NE2 . GLN A 1 271 ? 20.578 21.347 5.499 1.00 14.46 ? 271 GLN A NE2 1 ATOM 3957 H H . GLN A 1 271 ? 21.757 24.420 8.417 1.00 15.90 ? 271 GLN A H 1 ATOM 3958 H HA . GLN A 1 271 ? 23.198 22.799 6.586 1.00 15.92 ? 271 GLN A HA 1 ATOM 3959 N N . GLY A 1 272 ? 25.348 23.706 6.858 1.00 11.68 ? 272 GLY A N 1 ATOM 3960 C CA . GLY A 1 272 ? 26.691 24.165 7.144 1.00 12.73 ? 272 GLY A CA 1 ATOM 3961 C C . GLY A 1 272 ? 27.231 23.527 8.407 1.00 11.11 ? 272 GLY A C 1 ATOM 3962 O O . GLY A 1 272 ? 26.781 22.480 8.854 1.00 11.19 ? 272 GLY A O 1 ATOM 3963 H H . GLY A 1 272 ? 25.321 22.893 6.262 1.00 15.92 ? 272 GLY A H 1 ATOM 3964 H HA2 . GLY A 1 272 ? 27.275 23.924 6.407 1.00 14.39 ? 272 GLY A HA2 1 ATOM 3965 H HA3 . GLY A 1 272 ? 26.709 25.129 7.244 1.00 14.39 ? 272 GLY A HA3 1 ATOM 3966 N N . PHE A 1 273 ? 28.306 24.154 8.914 1.00 11.66 ? 273 PHE A N 1 ATOM 3967 C CA . PHE A 1 273 ? 29.127 23.577 9.936 1.00 11.60 ? 273 PHE A CA 1 ATOM 3968 C C . PHE A 1 273 ? 29.410 24.516 11.079 1.00 12.48 ? 273 PHE A C 1 ATOM 3969 O O . PHE A 1 273 ? 30.318 24.258 11.883 1.00 13.77 ? 273 PHE A O 1 ATOM 3970 C CB . PHE A 1 273 ? 30.406 23.054 9.327 1.00 12.18 ? 273 PHE A CB 1 ATOM 3971 C CG . PHE A 1 273 ? 30.139 22.123 8.176 1.00 11.06 ? 273 PHE A CG 1 ATOM 3972 C CD1 . PHE A 1 273 ? 29.997 22.584 6.916 1.00 12.78 ? 273 PHE A CD1 1 ATOM 3973 C CD2 . PHE A 1 273 ? 29.917 20.775 8.411 1.00 10.87 ? 273 PHE A CD2 1 ATOM 3974 C CE1 . PHE A 1 273 ? 29.709 21.737 5.879 1.00 12.81 ? 273 PHE A CE1 1 ATOM 3975 C CE2 . PHE A 1 273 ? 29.614 19.938 7.374 1.00 11.43 ? 273 PHE A CE2 1 ATOM 3976 C CZ . PHE A 1 273 ? 29.472 20.413 6.106 1.00 12.05 ? 273 PHE A CZ 1 ATOM 3977 H H . PHE A 1 273 ? 28.622 25.064 8.608 1.00 14.39 ? 273 PHE A H 1 ATOM 3978 H HA . PHE A 1 273 ? 28.663 22.806 10.322 1.00 11.53 ? 273 PHE A HA 1 ATOM 3979 H HB2 . PHE A 1 273 ? 30.931 23.801 8.998 1.00 12.28 ? 273 PHE A HB2 1 ATOM 3980 H HB3 . PHE A 1 273 ? 30.905 22.564 9.998 1.00 12.28 ? 273 PHE A HB3 1 ATOM 3981 H HD1 . PHE A 1 273 ? 30.126 23.489 6.744 1.00 12.03 ? 273 PHE A HD1 1 ATOM 3982 H HD2 . PHE A 1 273 ? 29.979 20.438 9.275 1.00 12.03 ? 273 PHE A HD2 1 ATOM 3983 H HE1 . PHE A 1 273 ? 29.627 22.077 5.017 1.00 12.03 ? 273 PHE A HE1 1 ATOM 3984 H HE2 . PHE A 1 273 ? 29.480 19.033 7.539 1.00 12.03 ? 273 PHE A HE2 1 ATOM 3985 H HZ . PHE A 1 273 ? 29.299 19.834 5.399 1.00 12.03 ? 273 PHE A HZ 1 ATOM 3986 N N . ASP A 1 274 ? 28.593 25.561 11.213 1.00 13.43 ? 274 ASP A N 1 ATOM 3987 C CA . ASP A 1 274 ? 28.872 26.535 12.255 1.00 14.75 ? 274 ASP A CA 1 ATOM 3988 C C . ASP A 1 274 ? 28.826 25.864 13.613 1.00 14.14 ? 274 ASP A C 1 ATOM 3989 O O . ASP A 1 274 ? 27.925 25.072 13.900 1.00 13.97 ? 274 ASP A O 1 ATOM 3990 C CB . ASP A 1 274 ? 27.859 27.681 12.206 1.00 18.47 ? 274 ASP A CB 1 ATOM 3991 C CG . ASP A 1 274 ? 28.044 28.589 11.004 1.00 29.21 ? 274 ASP A CG 1 ATOM 3992 O OD1 . ASP A 1 274 ? 29.108 28.575 10.348 1.00 35.62 ? 274 ASP A OD1 1 ATOM 3993 O OD2 . ASP A 1 274 ? 27.133 29.409 10.743 1.00 41.90 ? 274 ASP A OD2 1 ATOM 3994 H H . ASP A 1 274 ? 27.770 25.747 10.659 1.00 14.39 ? 274 ASP A H 1 ATOM 3995 H HA . ASP A 1 274 ? 29.770 26.904 12.123 1.00 29.58 ? 274 ASP A HA 1 ATOM 3996 H HB2 . ASP A 1 274 ? 26.962 27.315 12.177 1.00 14.39 ? 274 ASP A HB2 1 ATOM 3997 H HB3 . ASP A 1 274 ? 27.964 28.224 13.002 1.00 14.39 ? 274 ASP A HB3 1 ATOM 3998 N N . GLY A 1 275 ? 29.767 26.179 14.475 1.00 14.90 ? 275 GLY A N 1 ATOM 3999 C CA . GLY A 1 275 ? 29.789 25.613 15.790 1.00 13.97 ? 275 GLY A CA 1 ATOM 4000 C C . GLY A 1 275 ? 30.208 24.162 15.822 1.00 12.67 ? 275 GLY A C 1 ATOM 4001 O O . GLY A 1 275 ? 30.129 23.547 16.859 1.00 12.72 ? 275 GLY A O 1 ATOM 4002 H H . GLY A 1 275 ? 30.524 26.821 14.291 1.00 29.58 ? 275 GLY A H 1 ATOM 4003 H HA2 . GLY A 1 275 ? 30.413 26.115 16.337 1.00 13.43 ? 275 GLY A HA2 1 ATOM 4004 H HA3 . GLY A 1 275 ? 28.910 25.687 16.195 1.00 13.43 ? 275 GLY A HA3 1 ATOM 4005 N N . GLY A 1 276 ? 30.594 23.609 14.686 1.00 12.24 ? 276 GLY A N 1 ATOM 4006 C CA . GLY A 1 276 ? 30.945 22.209 14.599 1.00 11.45 ? 276 GLY A CA 1 ATOM 4007 C C . GLY A 1 276 ? 29.742 21.264 14.442 1.00 10.01 ? 276 GLY A C 1 ATOM 4008 O O . GLY A 1 276 ? 29.944 20.087 14.688 1.00 10.80 ? 276 GLY A O 1 ATOM 4009 H H . GLY A 1 276 ? 30.699 24.090 13.807 1.00 12.09 ? 276 GLY A H 1 ATOM 4010 H HA2 . GLY A 1 276 ? 31.524 22.080 13.832 1.00 11.41 ? 276 GLY A HA2 1 ATOM 4011 H HA3 . GLY A 1 276 ? 31.439 21.944 15.391 1.00 11.41 ? 276 GLY A HA3 1 ATOM 4012 N N . ILE A 1 277 ? 28.577 21.782 14.038 1.00 9.58 ? 277 ILE A N 1 ATOM 4013 C CA . ILE A 1 277 ? 27.515 20.878 13.643 1.00 9.07 ? 277 ILE A CA 1 ATOM 4014 C C . ILE A 1 277 ? 27.949 20.092 12.418 1.00 8.24 ? 277 ILE A C 1 ATOM 4015 O O . ILE A 1 277 ? 28.834 20.507 11.657 1.00 8.97 ? 277 ILE A O 1 ATOM 4016 C CB . ILE A 1 277 ? 26.187 21.612 13.395 1.00 9.40 ? 277 ILE A CB 1 ATOM 4017 C CG1 . ILE A 1 277 ? 26.271 22.511 12.182 1.00 10.49 ? 277 ILE A CG1 1 ATOM 4018 C CG2 . ILE A 1 277 ? 25.777 22.326 14.644 1.00 10.85 ? 277 ILE A CG2 1 ATOM 4019 C CD1 . ILE A 1 277 ? 24.900 23.021 11.746 1.00 11.93 ? 277 ILE A CD1 1 ATOM 4020 H H . ILE A 1 277 ? 28.366 22.767 13.976 1.00 11.61 ? 277 ILE A H 1 ATOM 4021 H HA . ILE A 1 277 ? 27.362 20.234 14.367 1.00 11.61 ? 277 ILE A HA 1 ATOM 4022 H HB . ILE A 1 277 ? 25.513 20.939 13.212 1.00 11.62 ? 277 ILE A HB 1 ATOM 4023 H HG12 . ILE A 1 277 ? 26.824 23.279 12.386 1.00 11.61 ? 277 ILE A HG12 1 ATOM 4024 H HG13 . ILE A 1 277 ? 26.646 22.022 11.436 1.00 11.61 ? 277 ILE A HG13 1 ATOM 4025 H HG21 . ILE A 1 277 ? 26.022 21.801 15.409 1.00 11.61 ? 277 ILE A HG21 1 ATOM 4026 H HG22 . ILE A 1 277 ? 24.825 22.451 14.629 1.00 11.61 ? 277 ILE A HG22 1 ATOM 4027 H HG23 . ILE A 1 277 ? 26.214 23.180 14.679 1.00 11.61 ? 277 ILE A HG23 1 ATOM 4028 H HD11 . ILE A 1 277 ? 24.301 22.276 11.663 1.00 11.62 ? 277 ILE A HD11 1 ATOM 4029 H HD12 . ILE A 1 277 ? 24.988 23.465 10.899 1.00 11.62 ? 277 ILE A HD12 1 ATOM 4030 H HD13 . ILE A 1 277 ? 24.570 23.636 12.405 1.00 11.62 ? 277 ILE A HD13 1 ATOM 4031 N N . ASN A 1 278 ? 27.300 18.962 12.203 1.00 8.20 ? 278 ASN A N 1 ATOM 4032 C CA . ASN A 1 278 ? 27.494 18.167 10.990 1.00 7.63 ? 278 ASN A CA 1 ATOM 4033 C C . ASN A 1 278 ? 28.931 17.708 10.806 1.00 7.71 ? 278 ASN A C 1 ATOM 4034 O O . ASN A 1 278 ? 29.345 17.469 9.690 1.00 8.53 ? 278 ASN A O 1 ATOM 4035 C CB . ASN A 1 278 ? 26.981 18.898 9.780 1.00 8.25 ? 278 ASN A CB 1 ATOM 4036 C CG . ASN A 1 278 ? 25.513 19.133 9.838 1.00 7.91 ? 278 ASN A CG 1 ATOM 4037 O OD1 . ASN A 1 278 ? 24.763 18.300 10.339 1.00 8.10 ? 278 ASN A OD1 1 ATOM 4038 N ND2 . ASN A 1 278 ? 25.055 20.238 9.259 1.00 8.93 ? 278 ASN A ND2 1 ATOM 4039 H H . ASN A 1 278 ? 26.631 18.564 12.846 1.00 11.61 ? 278 ASN A H 1 ATOM 4040 H HA . ASN A 1 278 ? 26.960 17.351 11.082 1.00 7.56 ? 278 ASN A HA 1 ATOM 4041 H HB2 . ASN A 1 278 ? 27.423 19.757 9.705 1.00 8.70 ? 278 ASN A HB2 1 ATOM 4042 H HB3 . ASN A 1 278 ? 27.160 18.373 8.986 1.00 8.70 ? 278 ASN A HB3 1 ATOM 4043 H HD21 . ASN A 1 278 ? 24.168 20.581 9.496 1.00 8.70 ? 278 ASN A HD21 1 ATOM 4044 H HD22 . ASN A 1 278 ? 25.599 20.710 8.595 1.00 8.70 ? 278 ASN A HD22 1 ATOM 4045 N N . SER A 1 279 ? 29.645 17.547 11.917 1.00 8.01 ? 279 SER A N 1 ATOM 4046 C CA . SER A 1 279 ? 31.065 17.354 11.864 1.00 8.28 ? 279 SER A CA 1 ATOM 4047 C C . SER A 1 279 ? 31.554 16.302 12.821 1.00 8.19 ? 279 SER A C 1 ATOM 4048 O O . SER A 1 279 ? 31.013 16.087 13.903 1.00 8.15 ? 279 SER A O 1 ATOM 4049 C CB . SER A 1 279 ? 31.768 18.666 12.269 1.00 9.61 ? 279 SER A CB 1 ATOM 4050 O OG . SER A 1 279 ? 31.416 19.732 11.439 1.00 10.09 ? 279 SER A OG 1 ATOM 4051 H H . SER A 1 279 ? 29.265 17.535 12.852 1.00 8.23 ? 279 SER A H 1 ATOM 4052 H HA . SER A 1 279 ? 31.342 17.119 10.957 1.00 8.36 ? 279 SER A HA 1 ATOM 4053 H HB2 . SER A 1 279 ? 31.526 18.883 13.181 1.00 9.39 ? 279 SER A HB2 1 ATOM 4054 H HB3 . SER A 1 279 ? 32.727 18.535 12.210 1.00 9.39 ? 279 SER A HB3 1 ATOM 4055 N N . ALA A 1 280 ? 32.679 15.714 12.448 1.00 8.15 ? 280 ALA A N 1 ATOM 4056 C CA . ALA A 1 280 ? 33.506 14.905 13.288 1.00 7.99 ? 280 ALA A CA 1 ATOM 4057 C C . ALA A 1 280 ? 34.957 15.217 12.922 1.00 8.00 ? 280 ALA A C 1 ATOM 4058 O O . ALA A 1 280 ? 35.198 16.046 12.048 1.00 8.37 ? 280 ALA A O 1 ATOM 4059 C CB . ALA A 1 280 ? 33.222 13.423 13.163 1.00 8.12 ? 280 ALA A CB 1 ATOM 4060 H H . ALA A 1 280 ? 33.047 15.790 11.509 1.00 8.36 ? 280 ALA A H 1 ATOM 4061 H HA . ALA A 1 280 ? 33.374 15.160 14.225 1.00 8.25 ? 280 ALA A HA 1 ATOM 4062 H HB1 . ALA A 1 280 ? 32.273 13.288 13.180 1.00 10.14 ? 280 ALA A HB1 1 ATOM 4063 H HB2 . ALA A 1 280 ? 33.625 12.959 13.898 1.00 10.14 ? 280 ALA A HB2 1 ATOM 4064 H HB3 . ALA A 1 280 ? 33.582 13.099 12.335 1.00 10.14 ? 280 ALA A HB3 1 ATOM 4065 N N . ILE A 1 281 ? 35.891 14.549 13.564 1.00 8.29 ? 281 ILE A N 1 ATOM 4066 C CA . ILE A 1 281 ? 37.303 14.870 13.408 1.00 8.78 ? 281 ILE A CA 1 ATOM 4067 C C . ILE A 1 281 ? 38.039 13.627 12.982 1.00 8.74 ? 281 ILE A C 1 ATOM 4068 O O . ILE A 1 281 ? 37.973 12.593 13.631 1.00 9.08 ? 281 ILE A O 1 ATOM 4069 C CB . ILE A 1 281 ? 37.884 15.377 14.730 1.00 9.37 ? 281 ILE A CB 1 ATOM 4070 C CG1 . ILE A 1 281 ? 37.189 16.661 15.137 1.00 10.46 ? 281 ILE A CG1 1 ATOM 4071 C CG2 . ILE A 1 281 ? 39.397 15.564 14.593 1.00 10.37 ? 281 ILE A CG2 1 ATOM 4072 C CD1 . ILE A 1 281 ? 37.554 17.170 16.505 1.00 11.70 ? 281 ILE A CD1 1 ATOM 4073 H H . ILE A 1 281 ? 35.719 13.788 14.205 1.00 10.14 ? 281 ILE A H 1 ATOM 4074 H HA . ILE A 1 281 ? 37.430 15.566 12.731 1.00 10.95 ? 281 ILE A HA 1 ATOM 4075 H HB . ILE A 1 281 ? 37.718 14.708 15.413 1.00 11.13 ? 281 ILE A HB 1 ATOM 4076 H HG12 . ILE A 1 281 ? 37.412 17.351 14.494 1.00 10.75 ? 281 ILE A HG12 1 ATOM 4077 H HG13 . ILE A 1 281 ? 36.231 16.515 15.137 1.00 10.75 ? 281 ILE A HG13 1 ATOM 4078 H HG21 . ILE A 1 281 ? 39.834 14.724 14.752 1.00 11.07 ? 281 ILE A HG21 1 ATOM 4079 H HG22 . ILE A 1 281 ? 39.700 16.207 15.237 1.00 11.07 ? 281 ILE A HG22 1 ATOM 4080 H HG23 . ILE A 1 281 ? 39.599 15.877 13.707 1.00 11.07 ? 281 ILE A HG23 1 ATOM 4081 H HD11 . ILE A 1 281 ? 37.758 16.424 17.074 1.00 11.13 ? 281 ILE A HD11 1 ATOM 4082 H HD12 . ILE A 1 281 ? 36.810 17.660 16.864 1.00 11.13 ? 281 ILE A HD12 1 ATOM 4083 H HD13 . ILE A 1 281 ? 38.320 17.744 16.431 1.00 11.13 ? 281 ILE A HD13 1 ATOM 4084 N N . LEU A 1 282 ? 38.800 13.764 11.897 1.00 8.69 ? 282 LEU A N 1 ATOM 4085 C CA . LEU A 1 282 ? 39.786 12.767 11.512 1.00 8.84 ? 282 LEU A CA 1 ATOM 4086 C C . LEU A 1 282 ? 41.108 13.238 12.083 1.00 9.50 ? 282 LEU A C 1 ATOM 4087 O O . LEU A 1 282 ? 41.595 14.306 11.724 1.00 10.27 ? 282 LEU A O 1 ATOM 4088 C CB . LEU A 1 282 ? 39.898 12.633 10.025 1.00 9.35 ? 282 LEU A CB 1 ATOM 4089 C CG . LEU A 1 282 ? 40.908 11.585 9.570 1.00 10.26 ? 282 LEU A CG 1 ATOM 4090 C CD1 . LEU A 1 282 ? 40.383 10.194 9.784 1.00 12.46 ? 282 LEU A CD1 1 ATOM 4091 C CD2 . LEU A 1 282 ? 41.288 11.804 8.122 1.00 10.96 ? 282 LEU A CD2 1 ATOM 4092 H H . LEU A 1 282 ? 38.755 14.552 11.266 1.00 10.82 ? 282 LEU A H 1 ATOM 4093 H HA . LEU A 1 282 ? 39.554 11.895 11.886 1.00 10.74 ? 282 LEU A HA 1 ATOM 4094 H HB2 . LEU A 1 282 ? 39.031 12.384 9.670 1.00 10.70 ? 282 LEU A HB2 1 ATOM 4095 H HB3 . LEU A 1 282 ? 40.166 13.487 9.655 1.00 10.71 ? 282 LEU A HB3 1 ATOM 4096 H HG . LEU A 1 282 ? 41.719 11.671 10.093 1.00 10.65 ? 282 LEU A HG 1 ATOM 4097 H HD11 . LEU A 1 282 ? 40.310 10.027 10.725 1.00 10.74 ? 282 LEU A HD11 1 ATOM 4098 H HD12 . LEU A 1 282 ? 40.993 9.567 9.388 1.00 10.74 ? 282 LEU A HD12 1 ATOM 4099 H HD13 . LEU A 1 282 ? 39.521 10.117 9.369 1.00 10.74 ? 282 LEU A HD13 1 ATOM 4100 H HD21 . LEU A 1 282 ? 40.502 11.725 7.578 1.00 10.75 ? 282 LEU A HD21 1 ATOM 4101 H HD22 . LEU A 1 282 ? 41.933 11.141 7.865 1.00 10.75 ? 282 LEU A HD22 1 ATOM 4102 H HD23 . LEU A 1 282 ? 41.667 12.681 8.026 1.00 10.75 ? 282 LEU A HD23 1 ATOM 4103 N N . ARG A 1 283 ? 41.660 12.458 12.987 1.00 9.64 ? 283 ARG A N 1 ATOM 4104 C CA . ARG A 1 283 ? 42.908 12.832 13.690 1.00 10.36 ? 283 ARG A CA 1 ATOM 4105 C C . ARG A 1 283 ? 43.958 11.810 13.385 1.00 10.17 ? 283 ARG A C 1 ATOM 4106 O O . ARG A 1 283 ? 43.794 10.626 13.632 1.00 11.90 ? 283 ARG A O 1 ATOM 4107 C CB . ARG A 1 283 ? 42.677 12.941 15.159 1.00 10.99 ? 283 ARG A CB 1 ATOM 4108 C CG . ARG A 1 283 ? 43.926 13.234 15.964 1.00 12.60 ? 283 ARG A CG 1 ATOM 4109 C CD . ARG A 1 283 ? 43.590 13.720 17.354 1.00 13.48 ? 283 ARG A CD 1 ATOM 4110 N NE . ARG A 1 283 ? 42.881 14.987 17.305 1.00 13.42 ? 283 ARG A NE 1 ATOM 4111 C CZ . ARG A 1 283 ? 41.859 15.359 18.078 1.00 12.93 ? 283 ARG A CZ 1 ATOM 4112 N NH1 . ARG A 1 283 ? 41.380 14.570 19.032 1.00 15.11 ? 283 ARG A NH1 1 ATOM 4113 N NH2 . ARG A 1 283 ? 41.257 16.500 17.840 1.00 15.13 ? 283 ARG A NH2 1 ATOM 4114 H H . ARG A 1 283 ? 41.290 11.561 13.271 1.00 10.74 ? 283 ARG A H 1 ATOM 4115 H HA . ARG A 1 283 ? 43.221 13.705 13.377 1.00 18.44 ? 283 ARG A HA 1 ATOM 4116 H HB2 . ARG A 1 283 ? 42.039 13.654 15.315 1.00 10.88 ? 283 ARG A HB2 1 ATOM 4117 H HB3 . ARG A 1 283 ? 42.312 12.101 15.479 1.00 10.88 ? 283 ARG A HB3 1 ATOM 4118 H HG2 . ARG A 1 283 ? 44.453 12.425 16.051 1.00 14.50 ? 283 ARG A HG2 1 ATOM 4119 H HG3 . ARG A 1 283 ? 44.439 13.924 15.516 1.00 14.50 ? 283 ARG A HG3 1 ATOM 4120 H HD2 . ARG A 1 283 ? 43.034 13.053 17.781 1.00 17.74 ? 283 ARG A HD2 1 ATOM 4121 H HD3 . ARG A 1 283 ? 44.410 13.849 17.856 1.00 17.74 ? 283 ARG A HD3 1 ATOM 4122 H HE . ARG A 1 283 ? 43.260 15.664 16.724 1.00 18.01 ? 283 ARG A HE 1 ATOM 4123 H HH11 . ARG A 1 283 ? 41.733 13.805 19.192 1.00 17.90 ? 283 ARG A HH11 1 ATOM 4124 H HH12 . ARG A 1 283 ? 40.721 14.837 19.517 1.00 17.90 ? 283 ARG A HH12 1 ATOM 4125 H HH21 . ARG A 1 283 ? 41.558 17.029 17.231 1.00 18.01 ? 283 ARG A HH21 1 ATOM 4126 H HH22 . ARG A 1 283 ? 40.614 16.764 18.348 1.00 18.01 ? 283 ARG A HH22 1 ATOM 4127 N N . TYR A 1 284 ? 45.077 12.292 12.862 1.00 10.68 ? 284 TYR A N 1 ATOM 4128 C CA . TYR A 1 284 ? 46.205 11.413 12.679 1.00 11.34 ? 284 TYR A CA 1 ATOM 4129 C C . TYR A 1 284 ? 46.939 11.264 14.005 1.00 11.80 ? 284 TYR A C 1 ATOM 4130 O O . TYR A 1 284 ? 47.076 12.199 14.782 1.00 12.94 ? 284 TYR A O 1 ATOM 4131 C CB . TYR A 1 284 ? 47.210 12.039 11.728 1.00 11.44 ? 284 TYR A CB 1 ATOM 4132 C CG . TYR A 1 284 ? 46.828 11.880 10.276 1.00 11.17 ? 284 TYR A CG 1 ATOM 4133 C CD1 . TYR A 1 284 ? 45.684 12.460 9.727 1.00 11.09 ? 284 TYR A CD1 1 ATOM 4134 C CD2 . TYR A 1 284 ? 47.636 11.186 9.430 1.00 11.94 ? 284 TYR A CD2 1 ATOM 4135 C CE1 . TYR A 1 284 ? 45.359 12.286 8.392 1.00 10.88 ? 284 TYR A CE1 1 ATOM 4136 C CE2 . TYR A 1 284 ? 47.343 11.039 8.099 1.00 11.89 ? 284 TYR A CE2 1 ATOM 4137 C CZ . TYR A 1 284 ? 46.194 11.567 7.574 1.00 10.85 ? 284 TYR A CZ 1 ATOM 4138 O OH . TYR A 1 284 ? 45.916 11.421 6.249 1.00 10.91 ? 284 TYR A OH 1 ATOM 4139 H H . TYR A 1 284 ? 45.221 13.250 12.574 1.00 18.44 ? 284 TYR A H 1 ATOM 4140 H HA . TYR A 1 284 ? 45.925 10.544 12.331 1.00 20.29 ? 284 TYR A HA 1 ATOM 4141 H HB2 . TYR A 1 284 ? 47.289 12.981 11.926 1.00 18.44 ? 284 TYR A HB2 1 ATOM 4142 H HB3 . TYR A 1 284 ? 48.071 11.610 11.856 1.00 18.42 ? 284 TYR A HB3 1 ATOM 4143 H HD1 . TYR A 1 284 ? 45.103 12.932 10.275 1.00 18.44 ? 284 TYR A HD1 1 ATOM 4144 H HD2 . TYR A 1 284 ? 48.417 10.804 9.760 1.00 17.41 ? 284 TYR A HD2 1 ATOM 4145 H HE1 . TYR A 1 284 ? 44.587 12.673 8.047 1.00 18.44 ? 284 TYR A HE1 1 ATOM 4146 H HE2 . TYR A 1 284 ? 47.912 10.544 7.555 1.00 17.41 ? 284 TYR A HE2 1 ATOM 4147 N N . GLU A 1 285 ? 47.428 10.072 14.238 1.00 12.83 ? 285 GLU A N 1 ATOM 4148 C CA . GLU A 1 285 ? 48.288 9.849 15.383 1.00 14.95 ? 285 GLU A CA 1 ATOM 4149 C C . GLU A 1 285 ? 49.438 10.807 15.358 1.00 15.34 ? 285 GLU A C 1 ATOM 4150 O O . GLU A 1 285 ? 50.099 10.976 14.322 1.00 15.50 ? 285 GLU A O 1 ATOM 4151 C CB . GLU A 1 285 ? 48.845 8.432 15.384 1.00 19.15 ? 285 GLU A CB 1 ATOM 4152 C CG . GLU A 1 285 ? 47.761 7.391 15.554 1.00 21.50 ? 285 GLU A CG 1 ATOM 4153 C CD . GLU A 1 285 ? 48.282 5.956 15.521 1.00 28.83 ? 285 GLU A CD 1 ATOM 4154 O OE1 . GLU A 1 285 ? 49.514 5.708 15.280 1.00 31.60 ? 285 GLU A OE1 1 ATOM 4155 O OE2 . GLU A 1 285 ? 47.437 5.054 15.709 1.00 34.23 ? 285 GLU A OE2 1 ATOM 4156 H H . GLU A 1 285 ? 47.254 9.266 13.654 1.00 20.29 ? 285 GLU A H 1 ATOM 4157 H HA . GLU A 1 285 ? 47.774 9.987 16.206 1.00 19.29 ? 285 GLU A HA 1 ATOM 4158 N N . GLY A 1 286 ? 49.677 11.435 16.499 1.00 16.99 ? 286 GLY A N 1 ATOM 4159 C CA . GLY A 1 286 ? 50.710 12.454 16.624 1.00 19.08 ? 286 GLY A CA 1 ATOM 4160 C C . GLY A 1 286 ? 50.235 13.860 16.410 1.00 17.65 ? 286 GLY A C 1 ATOM 4161 O O . GLY A 1 286 ? 50.991 14.790 16.708 1.00 20.93 ? 286 GLY A O 1 ATOM 4162 H H . GLY A 1 286 ? 49.178 11.263 17.360 1.00 19.29 ? 286 GLY A H 1 ATOM 4163 H HA2 . GLY A 1 286 ? 51.089 12.403 17.515 1.00 16.37 ? 286 GLY A HA2 1 ATOM 4164 H HA3 . GLY A 1 286 ? 51.420 12.274 15.990 1.00 16.37 ? 286 GLY A HA3 1 ATOM 4165 N N . ALA A 1 287 ? 49.033 14.054 15.892 1.00 15.94 ? 287 ALA A N 1 ATOM 4166 C CA . ALA A 1 287 ? 48.511 15.380 15.748 1.00 17.22 ? 287 ALA A CA 1 ATOM 4167 C C . ALA A 1 287 ? 48.187 15.959 17.127 1.00 15.69 ? 287 ALA A C 1 ATOM 4168 O O . ALA A 1 287 ? 47.863 15.233 18.040 1.00 17.47 ? 287 ALA A O 1 ATOM 4169 C CB . ALA A 1 287 ? 47.261 15.355 14.899 1.00 15.59 ? 287 ALA A CB 1 ATOM 4170 H H . ALA A 1 287 ? 48.410 13.329 15.569 1.00 14.50 ? 287 ALA A H 1 ATOM 4171 H HA . ALA A 1 287 ? 49.171 15.955 15.309 1.00 20.06 ? 287 ALA A HA 1 ATOM 4172 H HB1 . ALA A 1 287 ? 47.464 14.938 14.058 1.00 14.50 ? 287 ALA A HB1 1 ATOM 4173 H HB2 . ALA A 1 287 ? 46.964 16.257 14.754 1.00 14.50 ? 287 ALA A HB2 1 ATOM 4174 H HB3 . ALA A 1 287 ? 46.583 14.855 15.357 1.00 14.50 ? 287 ALA A HB3 1 ATOM 4175 N N . THR A 1 288 ? 48.160 17.273 17.182 1.00 16.64 ? 288 THR A N 1 ATOM 4176 C CA . THR A 1 288 ? 47.701 17.967 18.359 1.00 17.71 ? 288 THR A CA 1 ATOM 4177 C C . THR A 1 288 ? 46.224 17.646 18.565 1.00 16.80 ? 288 THR A C 1 ATOM 4178 O O . THR A 1 288 ? 45.462 17.516 17.625 1.00 18.12 ? 288 THR A O 1 ATOM 4179 C CB . THR A 1 288 ? 47.912 19.472 18.165 1.00 20.06 ? 288 THR A CB 1 ATOM 4180 O OG1 . THR A 1 288 ? 49.331 19.666 17.994 1.00 25.99 ? 288 THR A OG1 1 ATOM 4181 C CG2 . THR A 1 288 ? 47.373 20.286 19.380 1.00 22.23 ? 288 THR A CG2 1 ATOM 4182 H H . THR A 1 288 ? 48.450 17.874 16.422 1.00 20.06 ? 288 THR A H 1 ATOM 4183 H HA . THR A 1 288 ? 48.211 17.668 19.141 1.00 20.12 ? 288 THR A HA 1 ATOM 4184 N N . VAL A 1 289 ? 45.835 17.550 19.830 1.00 17.00 ? 289 VAL A N 1 ATOM 4185 C CA . VAL A 1 289 ? 44.438 17.402 20.150 1.00 16.18 ? 289 VAL A CA 1 ATOM 4186 C C . VAL A 1 289 ? 43.731 18.732 20.109 1.00 15.89 ? 289 VAL A C 1 ATOM 4187 O O . VAL A 1 289 ? 43.706 19.481 21.083 1.00 19.40 ? 289 VAL A O 1 ATOM 4188 C CB . VAL A 1 289 ? 44.265 16.688 21.480 1.00 20.68 ? 289 VAL A CB 1 ATOM 4189 C CG1 . VAL A 1 289 ? 42.803 16.591 21.839 1.00 21.81 ? 289 VAL A CG1 1 ATOM 4190 C CG2 . VAL A 1 289 ? 44.893 15.318 21.461 1.00 23.30 ? 289 VAL A CG2 1 ATOM 4191 H H . VAL A 1 289 ? 46.453 17.577 20.629 1.00 20.80 ? 289 VAL A H 1 ATOM 4192 H HA . VAL A 1 289 ? 44.019 16.824 19.478 1.00 18.98 ? 289 VAL A HA 1 ATOM 4193 H HB . VAL A 1 289 ? 44.710 17.210 22.180 1.00 20.80 ? 289 VAL A HB 1 ATOM 4194 H HG11 . VAL A 1 289 ? 42.524 17.410 22.255 1.00 19.49 ? 289 VAL A HG11 1 ATOM 4195 H HG12 . VAL A 1 289 ? 42.674 15.864 22.453 1.00 19.49 ? 289 VAL A HG12 1 ATOM 4196 H HG13 . VAL A 1 289 ? 42.289 16.436 21.044 1.00 19.48 ? 289 VAL A HG13 1 ATOM 4197 H HG21 . VAL A 1 289 ? 44.518 14.814 20.734 1.00 20.13 ? 289 VAL A HG21 1 ATOM 4198 H HG22 . VAL A 1 289 ? 44.711 14.876 22.293 1.00 20.12 ? 289 VAL A HG22 1 ATOM 4199 H HG23 . VAL A 1 289 ? 45.841 15.405 21.343 1.00 20.13 ? 289 VAL A HG23 1 ATOM 4200 N N . GLU A 1 290 ? 43.197 19.057 18.943 1.00 15.62 ? 290 GLU A N 1 ATOM 4201 C CA . GLU A 1 290 ? 42.491 20.300 18.710 1.00 15.91 ? 290 GLU A CA 1 ATOM 4202 C C . GLU A 1 290 ? 41.632 20.103 17.495 1.00 12.74 ? 290 GLU A C 1 ATOM 4203 O O . GLU A 1 290 ? 41.775 19.132 16.747 1.00 14.29 ? 290 GLU A O 1 ATOM 4204 C CB . GLU A 1 290 ? 43.481 21.427 18.528 1.00 19.02 ? 290 GLU A CB 1 ATOM 4205 C CG . GLU A 1 290 ? 44.345 21.208 17.333 1.00 21.24 ? 290 GLU A CG 1 ATOM 4206 C CD . GLU A 1 290 ? 45.371 22.298 17.132 1.00 27.47 ? 290 GLU A CD 1 ATOM 4207 O OE1 . GLU A 1 290 ? 45.498 23.187 18.006 1.00 29.64 ? 290 GLU A OE1 1 ATOM 4208 O OE2 . GLU A 1 290 ? 46.061 22.275 16.093 1.00 34.72 ? 290 GLU A OE2 1 ATOM 4209 H H . GLU A 1 290 ? 43.247 18.465 18.126 1.00 18.49 ? 290 GLU A H 1 ATOM 4210 H HA . GLU A 1 290 ? 41.911 20.507 19.473 1.00 15.03 ? 290 GLU A HA 1 ATOM 4211 H HB2 . GLU A 1 290 ? 42.998 22.259 18.405 1.00 16.43 ? 290 GLU A HB2 1 ATOM 4212 H HB3 . GLU A 1 290 ? 44.050 21.482 19.312 1.00 16.43 ? 290 GLU A HB3 1 ATOM 4213 H HG2 . GLU A 1 290 ? 44.823 20.370 17.431 1.00 18.89 ? 290 GLU A HG2 1 ATOM 4214 H HG3 . GLU A 1 290 ? 43.795 21.184 16.535 1.00 18.89 ? 290 GLU A HG3 1 ATOM 4215 N N . ASP A 1 291 ? 40.742 21.042 17.295 1.00 12.79 ? 291 ASP A N 1 ATOM 4216 C CA . ASP A 1 291 ? 39.856 20.947 16.169 1.00 12.15 ? 291 ASP A CA 1 ATOM 4217 C C . ASP A 1 291 ? 40.611 21.157 14.874 1.00 11.61 ? 291 ASP A C 1 ATOM 4218 O O . ASP A 1 291 ? 41.575 21.917 14.815 1.00 12.71 ? 291 ASP A O 1 ATOM 4219 C CB . ASP A 1 291 ? 38.754 21.991 16.222 1.00 12.77 ? 291 ASP A CB 1 ATOM 4220 C CG . ASP A 1 291 ? 37.731 21.719 17.242 1.00 14.69 ? 291 ASP A CG 1 ATOM 4221 O OD1 . ASP A 1 291 ? 37.677 20.604 17.851 1.00 15.64 ? 291 ASP A OD1 1 ATOM 4222 O OD2 . ASP A 1 291 ? 36.912 22.645 17.416 1.00 18.32 ? 291 ASP A OD2 1 ATOM 4223 H H . ASP A 1 291 ? 40.615 21.856 17.880 1.00 13.14 ? 291 ASP A H 1 ATOM 4224 H HA . ASP A 1 291 ? 39.442 20.062 16.168 1.00 10.75 ? 291 ASP A HA 1 ATOM 4225 H HB2 . ASP A 1 291 ? 39.146 22.857 16.415 1.00 13.14 ? 291 ASP A HB2 1 ATOM 4226 H HB3 . ASP A 1 291 ? 38.305 22.020 15.362 1.00 13.14 ? 291 ASP A HB3 1 ATOM 4227 N N . PRO A 1 292 ? 40.171 20.496 13.815 1.00 11.10 ? 292 PRO A N 1 ATOM 4228 C CA . PRO A 1 292 ? 40.675 20.832 12.510 1.00 10.73 ? 292 PRO A CA 1 ATOM 4229 C C . PRO A 1 292 ? 40.473 22.292 12.159 1.00 10.59 ? 292 PRO A C 1 ATOM 4230 O O . PRO A 1 292 ? 39.544 22.935 12.584 1.00 12.43 ? 292 PRO A O 1 ATOM 4231 C CB . PRO A 1 292 ? 39.855 19.990 11.558 1.00 10.19 ? 292 PRO A CB 1 ATOM 4232 C CG . PRO A 1 292 ? 39.323 18.859 12.428 1.00 10.25 ? 292 PRO A CG 1 ATOM 4233 C CD . PRO A 1 292 ? 39.117 19.485 13.755 1.00 10.81 ? 292 PRO A CD 1 ATOM 4234 H HA . PRO A 1 292 ? 41.621 20.592 12.435 1.00 13.29 ? 292 PRO A HA 1 ATOM 4235 H HB2 . PRO A 1 292 ? 39.129 20.511 11.191 1.00 10.42 ? 292 PRO A HB2 1 ATOM 4236 H HB3 . PRO A 1 292 ? 40.422 19.645 10.852 1.00 10.42 ? 292 PRO A HB3 1 ATOM 4237 H HG2 . PRO A 1 292 ? 38.482 18.537 12.067 1.00 12.05 ? 292 PRO A HG2 1 ATOM 4238 H HG3 . PRO A 1 292 ? 39.973 18.142 12.476 1.00 12.05 ? 292 PRO A HG3 1 ATOM 4239 H HD2 . PRO A 1 292 ? 38.242 19.900 13.804 1.00 10.75 ? 292 PRO A HD2 1 ATOM 4240 H HD3 . PRO A 1 292 ? 39.238 18.818 14.448 1.00 10.75 ? 292 PRO A HD3 1 ATOM 4241 N N . THR A 1 293 ? 41.362 22.740 11.264 1.00 10.79 ? 293 THR A N 1 ATOM 4242 C CA . THR A 1 293 ? 41.232 24.028 10.677 1.00 10.74 ? 293 THR A CA 1 ATOM 4243 C C . THR A 1 293 ? 41.042 23.994 9.190 1.00 11.37 ? 293 THR A C 1 ATOM 4244 O O . THR A 1 293 ? 41.026 25.019 8.525 1.00 13.34 ? 293 THR A O 1 ATOM 4245 C CB . THR A 1 293 ? 42.454 24.902 11.018 1.00 13.84 ? 293 THR A CB 1 ATOM 4246 O OG1 . THR A 1 293 ? 43.608 24.281 10.460 1.00 16.38 ? 293 THR A OG1 1 ATOM 4247 C CG2 . THR A 1 293 ? 42.594 25.059 12.512 1.00 15.84 ? 293 THR A CG2 1 ATOM 4248 H H . THR A 1 293 ? 42.171 22.224 10.947 1.00 13.29 ? 293 THR A H 1 ATOM 4249 H HA . THR A 1 293 ? 40.479 24.493 11.075 1.00 14.90 ? 293 THR A HA 1 ATOM 4250 H HB . THR A 1 293 ? 42.344 25.784 10.630 1.00 13.06 ? 293 THR A HB 1 ATOM 4251 H HG21 . THR A 1 293 ? 41.737 25.231 12.909 1.00 14.90 ? 293 THR A HG21 1 ATOM 4252 H HG22 . THR A 1 293 ? 43.182 25.792 12.710 1.00 14.90 ? 293 THR A HG22 1 ATOM 4253 H HG23 . THR A 1 293 ? 42.959 24.257 12.894 1.00 14.90 ? 293 THR A HG23 1 ATOM 4254 N N . THR A 1 294 ? 40.762 22.817 8.668 1.00 10.29 ? 294 THR A N 1 ATOM 4255 C CA . THR A 1 294 ? 40.530 22.639 7.255 1.00 11.73 ? 294 THR A CA 1 ATOM 4256 C C . THR A 1 294 ? 39.189 23.178 6.841 1.00 10.70 ? 294 THR A C 1 ATOM 4257 O O . THR A 1 294 ? 38.314 23.401 7.668 1.00 11.62 ? 294 THR A O 1 ATOM 4258 C CB . THR A 1 294 ? 40.662 21.164 6.937 1.00 11.76 ? 294 THR A CB 1 ATOM 4259 O OG1 . THR A 1 294 ? 39.740 20.398 7.711 1.00 10.65 ? 294 THR A OG1 1 ATOM 4260 C CG2 . THR A 1 294 ? 42.030 20.678 7.250 1.00 13.50 ? 294 THR A CG2 1 ATOM 4261 H H . THR A 1 294 ? 40.661 21.967 9.203 1.00 13.29 ? 294 THR A H 1 ATOM 4262 H HA . THR A 1 294 ? 41.218 23.120 6.750 1.00 13.29 ? 294 THR A HA 1 ATOM 4263 H HB . THR A 1 294 ? 40.492 21.019 5.993 1.00 11.58 ? 294 THR A HB 1 ATOM 4264 H HG21 . THR A 1 294 ? 42.683 21.337 7.003 1.00 13.29 ? 294 THR A HG21 1 ATOM 4265 H HG22 . THR A 1 294 ? 42.207 19.871 6.762 1.00 13.29 ? 294 THR A HG22 1 ATOM 4266 H HG23 . THR A 1 294 ? 42.113 20.495 8.189 1.00 13.29 ? 294 THR A HG23 1 ATOM 4267 N N . THR A 1 295 ? 39.028 23.382 5.526 1.00 12.27 ? 295 THR A N 1 ATOM 4268 C CA . THR A 1 295 ? 37.747 23.735 4.954 1.00 14.26 ? 295 THR A CA 1 ATOM 4269 C C . THR A 1 295 ? 37.438 22.789 3.813 1.00 13.89 ? 295 THR A C 1 ATOM 4270 O O . THR A 1 295 ? 38.327 22.229 3.196 1.00 17.34 ? 295 THR A O 1 ATOM 4271 C CB . THR A 1 295 ? 37.577 25.198 4.487 1.00 17.37 ? 295 THR A CB 1 ATOM 4272 O OG1 . THR A 1 295 ? 38.555 25.521 3.534 1.00 23.18 ? 295 THR A OG1 1 ATOM 4273 C CG2 . THR A 1 295 ? 37.712 26.172 5.613 1.00 19.86 ? 295 THR A CG2 1 ATOM 4274 H H . THR A 1 295 ? 39.772 23.309 4.847 1.00 13.29 ? 295 THR A H 1 ATOM 4275 H HA . THR A 1 295 ? 37.055 23.587 5.631 1.00 13.20 ? 295 THR A HA 1 ATOM 4276 H HB . THR A 1 295 ? 36.702 25.312 4.088 1.00 16.30 ? 295 THR A HB 1 ATOM 4277 H HG21 . THR A 1 295 ? 36.957 26.093 6.199 1.00 17.28 ? 295 THR A HG21 1 ATOM 4278 H HG22 . THR A 1 295 ? 37.744 27.067 5.269 1.00 17.28 ? 295 THR A HG22 1 ATOM 4279 H HG23 . THR A 1 295 ? 38.515 25.997 6.108 1.00 17.28 ? 295 THR A HG23 1 ATOM 4280 N N . ALA A 1 296 ? 36.144 22.672 3.545 1.00 14.06 ? 296 ALA A N 1 ATOM 4281 C CA . ALA A 1 296 ? 35.674 21.973 2.392 1.00 14.03 ? 296 ALA A CA 1 ATOM 4282 C C . ALA A 1 296 ? 35.973 22.803 1.150 1.00 12.14 ? 296 ALA A C 1 ATOM 4283 O O . ALA A 1 296 ? 36.047 24.042 1.242 1.00 12.61 ? 296 ALA A O 1 ATOM 4284 C CB . ALA A 1 296 ? 34.198 21.796 2.475 1.00 15.37 ? 296 ALA A CB 1 ATOM 4285 H H . ALA A 1 296 ? 35.410 23.061 4.120 1.00 13.20 ? 296 ALA A H 1 ATOM 4286 H HA . ALA A 1 296 ? 36.105 21.095 2.325 1.00 13.20 ? 296 ALA A HA 1 ATOM 4287 H HB1 . ALA A 1 296 ? 33.980 21.331 3.283 1.00 13.20 ? 296 ALA A HB1 1 ATOM 4288 H HB2 . ALA A 1 296 ? 33.901 21.288 1.717 1.00 13.20 ? 296 ALA A HB2 1 ATOM 4289 H HB3 . ALA A 1 296 ? 33.778 22.660 2.473 1.00 13.20 ? 296 ALA A HB3 1 ATOM 4290 N N . PRO A 1 297 ? 36.071 22.169 -0.035 1.00 11.65 ? 297 PRO A N 1 ATOM 4291 C CA . PRO A 1 297 ? 36.015 22.952 -1.255 1.00 11.00 ? 297 PRO A CA 1 ATOM 4292 C C . PRO A 1 297 ? 34.637 23.560 -1.436 1.00 10.97 ? 297 PRO A C 1 ATOM 4293 O O . PRO A 1 297 ? 33.678 23.096 -0.867 1.00 11.52 ? 297 PRO A O 1 ATOM 4294 C CB . PRO A 1 297 ? 36.311 21.888 -2.299 1.00 12.21 ? 297 PRO A CB 1 ATOM 4295 C CG . PRO A 1 297 ? 35.666 20.651 -1.758 1.00 13.32 ? 297 PRO A CG 1 ATOM 4296 C CD . PRO A 1 297 ? 36.027 20.707 -0.329 1.00 15.09 ? 297 PRO A CD 1 ATOM 4297 H HA . PRO A 1 297 ? 36.704 23.648 -1.267 1.00 10.99 ? 297 PRO A HA 1 ATOM 4298 H HB2 . PRO A 1 297 ? 35.919 22.140 -3.149 1.00 12.13 ? 297 PRO A HB2 1 ATOM 4299 H HB3 . PRO A 1 297 ? 37.270 21.768 -2.383 1.00 12.13 ? 297 PRO A HB3 1 ATOM 4300 H HG2 . PRO A 1 297 ? 34.705 20.691 -1.880 1.00 12.82 ? 297 PRO A HG2 1 ATOM 4301 H HG3 . PRO A 1 297 ? 36.042 19.865 -2.183 1.00 12.82 ? 297 PRO A HG3 1 ATOM 4302 H HD2 . PRO A 1 297 ? 35.346 20.269 0.204 1.00 13.20 ? 297 PRO A HD2 1 ATOM 4303 H HD3 . PRO A 1 297 ? 36.900 20.309 -0.187 1.00 13.20 ? 297 PRO A HD3 1 ATOM 4304 N N . THR A 1 298 ? 34.576 24.557 -2.312 1.00 10.57 ? 298 THR A N 1 ATOM 4305 C CA . THR A 1 298 ? 33.287 25.077 -2.710 1.00 11.19 ? 298 THR A CA 1 ATOM 4306 C C . THR A 1 298 ? 32.523 24.086 -3.541 1.00 11.75 ? 298 THR A C 1 ATOM 4307 O O . THR A 1 298 ? 31.325 23.946 -3.434 1.00 14.98 ? 298 THR A O 1 ATOM 4308 C CB . THR A 1 298 ? 33.442 26.356 -3.496 1.00 10.98 ? 298 THR A CB 1 ATOM 4309 O OG1 . THR A 1 298 ? 34.334 26.115 -4.580 1.00 12.64 ? 298 THR A OG1 1 ATOM 4310 C CG2 . THR A 1 298 ? 33.968 27.476 -2.622 1.00 12.27 ? 298 THR A CG2 1 ATOM 4311 H H . THR A 1 298 ? 35.374 24.999 -2.745 1.00 12.25 ? 298 THR A H 1 ATOM 4312 H HA . THR A 1 298 ? 32.756 25.279 -1.911 1.00 12.25 ? 298 THR A HA 1 ATOM 4313 H HB . THR A 1 298 ? 32.580 26.627 -3.848 1.00 11.26 ? 298 THR A HB 1 ATOM 4314 H HG21 . THR A 1 298 ? 33.449 27.539 -1.817 1.00 12.25 ? 298 THR A HG21 1 ATOM 4315 H HG22 . THR A 1 298 ? 33.916 28.311 -3.093 1.00 12.25 ? 298 THR A HG22 1 ATOM 4316 H HG23 . THR A 1 298 ? 34.884 27.307 -2.391 1.00 12.25 ? 298 THR A HG23 1 ATOM 4317 N N . THR A 1 299 ? 33.261 23.363 -4.399 1.00 11.27 ? 299 THR A N 1 ATOM 4318 C CA . THR A 1 299 ? 32.705 22.407 -5.306 1.00 12.25 ? 299 THR A CA 1 ATOM 4319 C C . THR A 1 299 ? 33.580 21.191 -5.227 1.00 10.83 ? 299 THR A C 1 ATOM 4320 O O . THR A 1 299 ? 34.810 21.271 -5.365 1.00 12.02 ? 299 THR A O 1 ATOM 4321 C CB . THR A 1 299 ? 32.705 22.934 -6.759 1.00 15.65 ? 299 THR A CB 1 ATOM 4322 O OG1 A THR A 1 299 ? 31.807 24.065 -6.815 0.50 15.46 ? 299 THR A OG1 1 ATOM 4323 O OG1 B THR A 1 299 ? 32.080 21.993 -7.645 0.50 22.96 ? 299 THR A OG1 1 ATOM 4324 C CG2 A THR A 1 299 ? 32.224 21.830 -7.729 0.50 19.19 ? 299 THR A CG2 1 ATOM 4325 C CG2 B THR A 1 299 ? 34.037 23.205 -7.165 0.50 19.55 ? 299 THR A CG2 1 ATOM 4326 H H . THR A 1 299 ? 34.268 23.437 -4.458 1.00 17.49 ? 299 THR A H 1 ATOM 4327 H HA . THR A 1 299 ? 31.790 22.171 -5.047 1.00 15.72 ? 299 THR A HA 1 ATOM 4328 N N . PHE A 1 300 ? 32.977 20.036 -5.072 1.00 10.86 ? 300 PHE A N 1 ATOM 4329 C CA . PHE A 1 300 ? 33.738 18.798 -4.980 1.00 11.27 ? 300 PHE A CA 1 ATOM 4330 C C . PHE A 1 300 ? 34.117 18.362 -6.379 1.00 12.06 ? 300 PHE A C 1 ATOM 4331 O O . PHE A 1 300 ? 33.400 18.593 -7.344 1.00 13.99 ? 300 PHE A O 1 ATOM 4332 C CB . PHE A 1 300 ? 32.887 17.766 -4.236 1.00 11.42 ? 300 PHE A CB 1 ATOM 4333 C CG . PHE A 1 300 ? 32.807 18.088 -2.776 1.00 10.47 ? 300 PHE A CG 1 ATOM 4334 C CD1 . PHE A 1 300 ? 33.700 17.470 -1.934 1.00 11.27 ? 300 PHE A CD1 1 ATOM 4335 C CD2 . PHE A 1 300 ? 31.954 19.047 -2.279 1.00 11.71 ? 300 PHE A CD2 1 ATOM 4336 C CE1 . PHE A 1 300 ? 33.704 17.781 -0.606 1.00 11.47 ? 300 PHE A CE1 1 ATOM 4337 C CE2 . PHE A 1 300 ? 31.979 19.382 -0.946 1.00 12.21 ? 300 PHE A CE2 1 ATOM 4338 C CZ . PHE A 1 300 ? 32.872 18.747 -0.118 1.00 12.35 ? 300 PHE A CZ 1 ATOM 4339 H H . PHE A 1 300 ? 31.975 19.921 -5.023 1.00 15.73 ? 300 PHE A H 1 ATOM 4340 H HA . PHE A 1 300 ? 34.557 18.945 -4.462 1.00 16.28 ? 300 PHE A HA 1 ATOM 4341 H HB2 . PHE A 1 300 ? 31.987 17.762 -4.598 1.00 15.75 ? 300 PHE A HB2 1 ATOM 4342 H HB3 . PHE A 1 300 ? 33.287 16.889 -4.339 1.00 15.75 ? 300 PHE A HB3 1 ATOM 4343 H HD1 . PHE A 1 300 ? 34.292 16.832 -2.263 1.00 15.74 ? 300 PHE A HD1 1 ATOM 4344 H HD2 . PHE A 1 300 ? 31.376 19.495 -2.854 1.00 15.74 ? 300 PHE A HD2 1 ATOM 4345 H HE1 . PHE A 1 300 ? 34.301 17.355 -0.034 1.00 15.74 ? 300 PHE A HE1 1 ATOM 4346 H HE2 . PHE A 1 300 ? 31.390 20.017 -0.607 1.00 15.74 ? 300 PHE A HE2 1 ATOM 4347 H HZ . PHE A 1 300 ? 32.866 18.932 0.793 1.00 15.74 ? 300 PHE A HZ 1 ATOM 4348 N N . SER A 1 301 ? 35.295 17.759 -6.490 1.00 12.17 ? 301 SER A N 1 ATOM 4349 C CA . SER A 1 301 ? 35.801 17.414 -7.796 1.00 14.75 ? 301 SER A CA 1 ATOM 4350 C C . SER A 1 301 ? 35.261 16.123 -8.367 1.00 12.27 ? 301 SER A C 1 ATOM 4351 O O . SER A 1 301 ? 35.210 15.947 -9.576 1.00 14.44 ? 301 SER A O 1 ATOM 4352 C CB . SER A 1 301 ? 37.287 17.295 -7.740 1.00 19.76 ? 301 SER A CB 1 ATOM 4353 O OG . SER A 1 301 ? 37.889 18.561 -7.482 1.00 26.72 ? 301 SER A OG 1 ATOM 4354 H H . SER A 1 301 ? 35.896 17.516 -5.716 1.00 16.28 ? 301 SER A H 1 ATOM 4355 H HA . SER A 1 301 ? 35.591 18.133 -8.429 1.00 13.69 ? 301 SER A HA 1 ATOM 4356 H HB2 . SER A 1 301 ? 37.533 16.675 -7.035 1.00 16.28 ? 301 SER A HB2 1 ATOM 4357 H HB3 . SER A 1 301 ? 37.612 16.967 -8.594 1.00 16.28 ? 301 SER A HB3 1 ATOM 4358 N N . ASN A 1 302 ? 34.936 15.201 -7.499 1.00 10.76 ? 302 ASN A N 1 ATOM 4359 C CA . ASN A 1 302 ? 34.534 13.862 -7.937 1.00 10.95 ? 302 ASN A CA 1 ATOM 4360 C C . ASN A 1 302 ? 33.471 13.317 -7.003 1.00 9.82 ? 302 ASN A C 1 ATOM 4361 O O . ASN A 1 302 ? 33.707 12.346 -6.300 1.00 10.67 ? 302 ASN A O 1 ATOM 4362 C CB . ASN A 1 302 ? 35.745 12.949 -7.920 1.00 14.60 ? 302 ASN A CB 1 ATOM 4363 C CG . ASN A 1 302 ? 36.760 13.331 -8.940 1.00 16.57 ? 302 ASN A CG 1 ATOM 4364 O OD1 . ASN A 1 302 ? 36.528 13.100 -10.136 1.00 19.28 ? 302 ASN A OD1 1 ATOM 4365 N ND2 . ASN A 1 302 ? 37.862 13.937 -8.505 1.00 19.30 ? 302 ASN A ND2 1 ATOM 4366 H H . ASN A 1 302 ? 34.927 15.325 -6.500 1.00 14.62 ? 302 ASN A H 1 ATOM 4367 H HA . ASN A 1 302 ? 34.168 13.883 -8.846 1.00 14.60 ? 302 ASN A HA 1 ATOM 4368 N N . PRO A 1 303 ? 32.307 13.942 -6.963 1.00 9.70 ? 303 PRO A N 1 ATOM 4369 C CA . PRO A 1 303 ? 31.271 13.395 -6.134 1.00 10.13 ? 303 PRO A CA 1 ATOM 4370 C C . PRO A 1 303 ? 30.847 12.044 -6.662 1.00 9.09 ? 303 PRO A C 1 ATOM 4371 O O . PRO A 1 303 ? 30.884 11.767 -7.860 1.00 10.03 ? 303 PRO A O 1 ATOM 4372 C CB . PRO A 1 303 ? 30.128 14.392 -6.286 1.00 11.64 ? 303 PRO A CB 1 ATOM 4373 C CG . PRO A 1 303 ? 30.361 15.018 -7.602 1.00 14.29 ? 303 PRO A CG 1 ATOM 4374 C CD . PRO A 1 303 ? 31.844 15.107 -7.730 1.00 11.81 ? 303 PRO A CD 1 ATOM 4375 H HA . PRO A 1 303 ? 31.549 13.334 -5.196 1.00 9.68 ? 303 PRO A HA 1 ATOM 4376 H HB2 . PRO A 1 303 ? 29.274 13.931 -6.268 1.00 11.39 ? 303 PRO A HB2 1 ATOM 4377 H HB3 . PRO A 1 303 ? 30.176 15.054 -5.578 1.00 11.39 ? 303 PRO A HB3 1 ATOM 4378 H HG2 . PRO A 1 303 ? 29.989 14.458 -8.302 1.00 13.49 ? 303 PRO A HG2 1 ATOM 4379 H HG3 . PRO A 1 303 ? 29.961 15.902 -7.620 1.00 13.49 ? 303 PRO A HG3 1 ATOM 4380 H HD2 . PRO A 1 303 ? 32.104 15.032 -8.661 1.00 14.60 ? 303 PRO A HD2 1 ATOM 4381 H HD3 . PRO A 1 303 ? 32.170 15.928 -7.331 1.00 14.60 ? 303 PRO A HD3 1 ATOM 4382 N N . LEU A 1 304 ? 30.355 11.198 -5.765 1.00 9.08 ? 304 LEU A N 1 ATOM 4383 C CA . LEU A 1 304 ? 29.782 9.951 -6.187 1.00 8.80 ? 304 LEU A CA 1 ATOM 4384 C C . LEU A 1 304 ? 28.579 10.178 -7.050 1.00 9.04 ? 304 LEU A C 1 ATOM 4385 O O . LEU A 1 304 ? 27.674 10.916 -6.692 1.00 10.07 ? 304 LEU A O 1 ATOM 4386 C CB . LEU A 1 304 ? 29.405 9.133 -4.945 1.00 8.50 ? 304 LEU A CB 1 ATOM 4387 C CG . LEU A 1 304 ? 28.633 7.871 -5.260 1.00 9.14 ? 304 LEU A CG 1 ATOM 4388 C CD1 . LEU A 1 304 ? 29.464 6.877 -6.053 1.00 10.05 ? 304 LEU A CD1 1 ATOM 4389 C CD2 . LEU A 1 304 ? 28.138 7.246 -3.989 1.00 10.28 ? 304 LEU A CD2 1 ATOM 4390 H H . LEU A 1 304 ? 30.347 11.360 -4.768 1.00 9.68 ? 304 LEU A H 1 ATOM 4391 H HA . LEU A 1 304 ? 30.451 9.445 -6.690 1.00 8.99 ? 304 LEU A HA 1 ATOM 4392 H HB2 . LEU A 1 304 ? 30.217 8.875 -4.482 1.00 9.68 ? 304 LEU A HB2 1 ATOM 4393 H HB3 . LEU A 1 304 ? 28.853 9.675 -4.361 1.00 9.68 ? 304 LEU A HB3 1 ATOM 4394 H HG . LEU A 1 304 ? 27.851 8.091 -5.789 1.00 9.40 ? 304 LEU A HG 1 ATOM 4395 H HD11 . LEU A 1 304 ? 29.610 7.222 -6.936 1.00 8.97 ? 304 LEU A HD11 1 ATOM 4396 H HD12 . LEU A 1 304 ? 28.992 6.043 -6.106 1.00 8.97 ? 304 LEU A HD12 1 ATOM 4397 H HD13 . LEU A 1 304 ? 30.304 6.749 -5.608 1.00 8.97 ? 304 LEU A HD13 1 ATOM 4398 H HD21 . LEU A 1 304 ? 28.882 7.115 -3.396 1.00 9.00 ? 304 LEU A HD21 1 ATOM 4399 H HD22 . LEU A 1 304 ? 27.731 6.403 -4.196 1.00 8.99 ? 304 LEU A HD22 1 ATOM 4400 H HD23 . LEU A 1 304 ? 27.495 7.831 -3.583 1.00 9.00 ? 304 LEU A HD23 1 ATOM 4401 N N . VAL A 1 305 ? 28.545 9.458 -8.160 1.00 8.98 ? 305 VAL A N 1 ATOM 4402 C CA . VAL A 1 305 ? 27.392 9.335 -9.027 1.00 9.25 ? 305 VAL A CA 1 ATOM 4403 C C . VAL A 1 305 ? 27.127 7.843 -9.128 1.00 8.31 ? 305 VAL A C 1 ATOM 4404 O O . VAL A 1 305 ? 28.051 7.080 -9.405 1.00 8.86 ? 305 VAL A O 1 ATOM 4405 C CB . VAL A 1 305 ? 27.741 9.969 -10.393 1.00 11.76 ? 305 VAL A CB 1 ATOM 4406 C CG1 . VAL A 1 305 ? 26.670 9.698 -11.396 1.00 13.54 ? 305 VAL A CG1 1 ATOM 4407 C CG2 . VAL A 1 305 ? 27.942 11.454 -10.229 1.00 13.88 ? 305 VAL A CG2 1 ATOM 4408 H H . VAL A 1 305 ? 29.338 8.935 -8.504 1.00 8.98 ? 305 VAL A H 1 ATOM 4409 H HA . VAL A 1 305 ? 26.607 9.783 -8.648 1.00 8.40 ? 305 VAL A HA 1 ATOM 4410 H HB . VAL A 1 305 ? 28.577 9.581 -10.725 1.00 11.56 ? 305 VAL A HB 1 ATOM 4411 H HG11 . VAL A 1 305 ? 26.795 8.816 -11.750 1.00 12.78 ? 305 VAL A HG11 1 ATOM 4412 H HG12 . VAL A 1 305 ? 26.726 10.341 -12.106 1.00 12.78 ? 305 VAL A HG12 1 ATOM 4413 H HG13 . VAL A 1 305 ? 25.813 9.761 -10.966 1.00 12.78 ? 305 VAL A HG13 1 ATOM 4414 H HG21 . VAL A 1 305 ? 27.147 11.837 -9.851 1.00 12.78 ? 305 VAL A HG21 1 ATOM 4415 H HG22 . VAL A 1 305 ? 28.116 11.845 -11.089 1.00 12.78 ? 305 VAL A HG22 1 ATOM 4416 H HG23 . VAL A 1 305 ? 28.689 11.609 -9.647 1.00 12.78 ? 305 VAL A HG23 1 ATOM 4417 N N . GLU A 1 306 ? 25.899 7.405 -8.883 1.00 8.26 ? 306 GLU A N 1 ATOM 4418 C CA . GLU A 1 306 ? 25.647 6.004 -8.722 1.00 7.86 ? 306 GLU A CA 1 ATOM 4419 C C . GLU A 1 306 ? 25.959 5.187 -9.971 1.00 7.66 ? 306 GLU A C 1 ATOM 4420 O O . GLU A 1 306 ? 26.336 4.026 -9.855 1.00 7.81 ? 306 GLU A O 1 ATOM 4421 C CB . GLU A 1 306 ? 24.212 5.786 -8.271 1.00 8.25 ? 306 GLU A CB 1 ATOM 4422 C CG . GLU A 1 306 ? 23.886 4.358 -7.872 1.00 8.60 ? 306 GLU A CG 1 ATOM 4423 C CD . GLU A 1 306 ? 22.486 4.271 -7.303 1.00 7.92 ? 306 GLU A CD 1 ATOM 4424 O OE1 . GLU A 1 306 ? 22.354 4.051 -6.084 1.00 8.59 ? 306 GLU A OE1 1 ATOM 4425 O OE2 . GLU A 1 306 ? 21.537 4.500 -8.087 1.00 8.81 ? 306 GLU A OE2 1 ATOM 4426 H H . GLU A 1 306 ? 25.084 7.997 -8.800 1.00 8.40 ? 306 GLU A H 1 ATOM 4427 H HA . GLU A 1 306 ? 26.227 5.669 -8.006 1.00 8.88 ? 306 GLU A HA 1 ATOM 4428 H HB2 . GLU A 1 306 ? 24.039 6.352 -7.503 1.00 8.40 ? 306 GLU A HB2 1 ATOM 4429 H HB3 . GLU A 1 306 ? 23.618 6.031 -8.998 1.00 8.40 ? 306 GLU A HB3 1 ATOM 4430 H HG2 . GLU A 1 306 ? 23.929 3.782 -8.651 1.00 8.54 ? 306 GLU A HG2 1 ATOM 4431 H HG3 . GLU A 1 306 ? 24.514 4.060 -7.196 1.00 8.54 ? 306 GLU A HG3 1 ATOM 4432 N N . THR A 1 307 ? 25.782 5.784 -11.144 1.00 7.56 ? 307 THR A N 1 ATOM 4433 C CA . THR A 1 307 ? 26.069 5.087 -12.388 1.00 8.09 ? 307 THR A CA 1 ATOM 4434 C C . THR A 1 307 ? 27.540 4.839 -12.590 1.00 8.11 ? 307 THR A C 1 ATOM 4435 O O . THR A 1 307 ? 27.900 4.059 -13.460 1.00 9.39 ? 307 THR A O 1 ATOM 4436 C CB . THR A 1 307 ? 25.472 5.854 -13.561 1.00 8.54 ? 307 THR A CB 1 ATOM 4437 O OG1 . THR A 1 307 ? 25.955 7.176 -13.536 1.00 9.11 ? 307 THR A OG1 1 ATOM 4438 C CG2 . THR A 1 307 ? 23.983 5.874 -13.479 1.00 8.96 ? 307 THR A CG2 1 ATOM 4439 H H . THR A 1 307 ? 25.452 6.731 -11.262 1.00 9.92 ? 307 THR A H 1 ATOM 4440 H HA . THR A 1 307 ? 25.630 4.211 -12.363 1.00 9.92 ? 307 THR A HA 1 ATOM 4441 H HB . THR A 1 307 ? 25.730 5.429 -14.394 1.00 8.70 ? 307 THR A HB 1 ATOM 4442 H HG21 . THR A 1 307 ? 23.650 4.991 -13.301 1.00 9.92 ? 307 THR A HG21 1 ATOM 4443 H HG22 . THR A 1 307 ? 23.615 6.182 -14.310 1.00 9.92 ? 307 THR A HG22 1 ATOM 4444 H HG23 . THR A 1 307 ? 23.699 6.462 -12.776 1.00 9.92 ? 307 THR A HG23 1 ATOM 4445 N N . ASP A 1 308 ? 28.407 5.485 -11.824 1.00 7.98 ? 308 ASP A N 1 ATOM 4446 C CA . ASP A 1 308 ? 29.824 5.236 -11.906 1.00 8.35 ? 308 ASP A CA 1 ATOM 4447 C C . ASP A 1 308 ? 30.239 3.981 -11.161 1.00 8.63 ? 308 ASP A C 1 ATOM 4448 O O . ASP A 1 308 ? 31.360 3.502 -11.334 1.00 9.69 ? 308 ASP A O 1 ATOM 4449 C CB . ASP A 1 308 ? 30.615 6.418 -11.319 1.00 8.91 ? 308 ASP A CB 1 ATOM 4450 C CG . ASP A 1 308 ? 30.684 7.658 -12.171 1.00 10.08 ? 308 ASP A CG 1 ATOM 4451 O OD1 . ASP A 1 308 ? 30.359 7.607 -13.353 1.00 12.08 ? 308 ASP A OD1 1 ATOM 4452 O OD2 . ASP A 1 308 ? 31.191 8.656 -11.623 1.00 12.91 ? 308 ASP A OD2 1 ATOM 4453 H H . ASP A 1 308 ? 28.162 6.197 -11.153 1.00 9.08 ? 308 ASP A H 1 ATOM 4454 H HA . ASP A 1 308 ? 30.089 5.130 -12.844 1.00 8.46 ? 308 ASP A HA 1 ATOM 4455 H HB2 . ASP A 1 308 ? 30.231 6.667 -10.466 1.00 9.08 ? 308 ASP A HB2 1 ATOM 4456 H HB3 . ASP A 1 308 ? 31.531 6.131 -11.178 1.00 9.08 ? 308 ASP A HB3 1 ATOM 4457 N N . LEU A 1 309 ? 29.383 3.457 -10.308 1.00 8.09 ? 309 LEU A N 1 ATOM 4458 C CA . LEU A 1 309 ? 29.679 2.270 -9.568 1.00 8.10 ? 309 LEU A CA 1 ATOM 4459 C C . LEU A 1 309 ? 29.422 1.049 -10.384 1.00 8.03 ? 309 LEU A C 1 ATOM 4460 O O . LEU A 1 309 ? 28.430 0.945 -11.078 1.00 9.45 ? 309 LEU A O 1 ATOM 4461 C CB . LEU A 1 309 ? 28.778 2.199 -8.330 1.00 7.96 ? 309 LEU A CB 1 ATOM 4462 C CG . LEU A 1 309 ? 29.005 3.281 -7.298 1.00 8.21 ? 309 LEU A CG 1 ATOM 4463 C CD1 . LEU A 1 309 ? 27.791 3.376 -6.390 1.00 8.61 ? 309 LEU A CD1 1 ATOM 4464 C CD2 . LEU A 1 309 ? 30.249 2.960 -6.500 1.00 8.90 ? 309 LEU A CD2 1 ATOM 4465 H H . LEU A 1 309 ? 28.473 3.841 -10.104 1.00 8.88 ? 309 LEU A H 1 ATOM 4466 H HA . LEU A 1 309 ? 30.612 2.280 -9.274 1.00 8.88 ? 309 LEU A HA 1 ATOM 4467 H HB2 . LEU A 1 309 ? 27.853 2.252 -8.617 1.00 8.88 ? 309 LEU A HB2 1 ATOM 4468 H HB3 . LEU A 1 309 ? 28.925 1.345 -7.893 1.00 8.88 ? 309 LEU A HB3 1 ATOM 4469 H HG . LEU A 1 309 ? 29.130 4.136 -7.738 1.00 8.48 ? 309 LEU A HG 1 ATOM 4470 H HD11 . LEU A 1 309 ? 27.066 3.772 -6.879 1.00 8.88 ? 309 LEU A HD11 1 ATOM 4471 H HD12 . LEU A 1 309 ? 28.010 3.921 -5.631 1.00 8.88 ? 309 LEU A HD12 1 ATOM 4472 H HD13 . LEU A 1 309 ? 27.546 2.495 -6.100 1.00 8.88 ? 309 LEU A HD13 1 ATOM 4473 H HD21 . LEU A 1 309 ? 30.134 2.112 -6.064 1.00 8.88 ? 309 LEU A HD21 1 ATOM 4474 H HD22 . LEU A 1 309 ? 30.382 3.647 -5.843 1.00 8.88 ? 309 LEU A HD22 1 ATOM 4475 H HD23 . LEU A 1 309 ? 31.004 2.926 -7.091 1.00 8.88 ? 309 LEU A HD23 1 ATOM 4476 N N . HIS A 1 310 ? 30.316 0.055 -10.244 1.00 7.93 ? 310 HIS A N 1 ATOM 4477 C CA . HIS A 1 310 ? 30.094 -1.208 -10.935 1.00 8.30 ? 310 HIS A CA 1 ATOM 4478 C C . HIS A 1 310 ? 30.512 -2.324 -10.013 1.00 7.98 ? 310 HIS A C 1 ATOM 4479 O O . HIS A 1 310 ? 31.464 -2.179 -9.244 1.00 9.07 ? 310 HIS A O 1 ATOM 4480 C CB . HIS A 1 310 ? 30.921 -1.281 -12.211 1.00 9.36 ? 310 HIS A CB 1 ATOM 4481 C CG . HIS A 1 310 ? 30.610 -0.192 -13.127 1.00 9.75 ? 310 HIS A CG 1 ATOM 4482 N ND1 . HIS A 1 310 ? 29.401 -0.070 -13.749 1.00 11.59 ? 310 HIS A ND1 1 ATOM 4483 C CD2 . HIS A 1 310 ? 31.278 0.941 -13.401 1.00 11.89 ? 310 HIS A CD2 1 ATOM 4484 C CE1 . HIS A 1 310 ? 29.350 1.070 -14.411 1.00 13.51 ? 310 HIS A CE1 1 ATOM 4485 N NE2 . HIS A 1 310 ? 30.481 1.711 -14.213 1.00 14.07 ? 310 HIS A NE2 1 ATOM 4486 H H . HIS A 1 310 ? 31.160 0.098 -9.690 1.00 8.88 ? 310 HIS A H 1 ATOM 4487 H HA . HIS A 1 310 ? 29.150 -1.304 -11.169 1.00 9.09 ? 310 HIS A HA 1 ATOM 4488 H HB2 . HIS A 1 310 ? 31.863 -1.224 -11.984 1.00 9.27 ? 310 HIS A HB2 1 ATOM 4489 H HB3 . HIS A 1 310 ? 30.736 -2.119 -12.663 1.00 9.27 ? 310 HIS A HB3 1 ATOM 4490 H HD1 . HIS A 1 310 ? 28.766 -0.649 -13.712 1.00 16.55 ? 310 HIS A HD1 1 ATOM 4491 H HD2 . HIS A 1 310 ? 32.126 1.165 -13.095 1.00 16.55 ? 310 HIS A HD2 1 ATOM 4492 H HE1 . HIS A 1 310 ? 28.648 1.355 -14.949 1.00 16.55 ? 310 HIS A HE1 1 ATOM 4493 H HE2 . HIS A 1 310 ? 30.703 2.461 -14.570 1.00 16.55 ? 310 HIS A HE2 1 ATOM 4494 N N . PRO A 1 311 ? 29.828 -3.460 -10.076 1.00 8.11 ? 311 PRO A N 1 ATOM 4495 C CA . PRO A 1 311 ? 30.223 -4.575 -9.213 1.00 8.29 ? 311 PRO A CA 1 ATOM 4496 C C . PRO A 1 311 ? 31.629 -5.045 -9.526 1.00 8.61 ? 311 PRO A C 1 ATOM 4497 O O . PRO A 1 311 ? 32.085 -5.008 -10.670 1.00 9.12 ? 311 PRO A O 1 ATOM 4498 C CB . PRO A 1 311 ? 29.238 -5.660 -9.556 1.00 8.99 ? 311 PRO A CB 1 ATOM 4499 C CG . PRO A 1 311 ? 28.030 -4.894 -10.041 1.00 8.81 ? 311 PRO A CG 1 ATOM 4500 C CD . PRO A 1 311 ? 28.603 -3.754 -10.815 1.00 8.23 ? 311 PRO A CD 1 ATOM 4501 H HA . PRO A 1 311 ? 30.140 -4.331 -8.268 1.00 15.12 ? 311 PRO A HA 1 ATOM 4502 H HB2 . PRO A 1 311 ? 29.587 -6.220 -10.264 1.00 10.78 ? 311 PRO A HB2 1 ATOM 4503 H HB3 . PRO A 1 311 ? 29.028 -6.182 -8.766 1.00 10.78 ? 311 PRO A HB3 1 ATOM 4504 H HG2 . PRO A 1 311 ? 27.488 -5.462 -10.610 1.00 8.93 ? 311 PRO A HG2 1 ATOM 4505 H HG3 . PRO A 1 311 ? 27.517 -4.574 -9.282 1.00 8.93 ? 311 PRO A HG3 1 ATOM 4506 H HD2 . PRO A 1 311 ? 28.808 -4.027 -11.723 1.00 9.09 ? 311 PRO A HD2 1 ATOM 4507 H HD3 . PRO A 1 311 ? 27.994 -3.003 -10.794 1.00 9.09 ? 311 PRO A HD3 1 ATOM 4508 N N . LEU A 1 312 ? 32.287 -5.519 -8.489 1.00 8.55 ? 312 LEU A N 1 ATOM 4509 C CA . LEU A 1 312 ? 33.593 -6.146 -8.646 1.00 9.43 ? 312 LEU A CA 1 ATOM 4510 C C . LEU A 1 312 ? 33.436 -7.442 -9.402 1.00 9.91 ? 312 LEU A C 1 ATOM 4511 O O . LEU A 1 312 ? 34.247 -7.746 -10.274 1.00 13.02 ? 312 LEU A O 1 ATOM 4512 C CB . LEU A 1 312 ? 34.191 -6.378 -7.274 1.00 9.68 ? 312 LEU A CB 1 ATOM 4513 C CG . LEU A 1 312 ? 35.615 -6.912 -7.280 1.00 11.56 ? 312 LEU A CG 1 ATOM 4514 C CD1 . LEU A 1 312 ? 36.563 -5.929 -7.975 1.00 13.36 ? 312 LEU A CD1 1 ATOM 4515 C CD2 . LEU A 1 312 ? 36.036 -7.157 -5.843 1.00 12.09 ? 312 LEU A CD2 1 ATOM 4516 H H . LEU A 1 312 ? 31.948 -5.496 -7.539 1.00 15.13 ? 312 LEU A H 1 ATOM 4517 H HA . LEU A 1 312 ? 34.181 -5.550 -9.151 1.00 14.95 ? 312 LEU A HA 1 ATOM 4518 H HB2 . LEU A 1 312 ? 34.195 -5.536 -6.792 1.00 15.14 ? 312 LEU A HB2 1 ATOM 4519 H HB3 . LEU A 1 312 ? 33.639 -7.020 -6.802 1.00 15.13 ? 312 LEU A HB3 1 ATOM 4520 H HG . LEU A 1 312 ? 35.649 -7.758 -7.753 1.00 11.68 ? 312 LEU A HG 1 ATOM 4521 H HD11 . LEU A 1 312 ? 36.462 -6.017 -8.925 1.00 14.95 ? 312 LEU A HD11 1 ATOM 4522 H HD12 . LEU A 1 312 ? 37.467 -6.131 -7.726 1.00 14.96 ? 312 LEU A HD12 1 ATOM 4523 H HD13 . LEU A 1 312 ? 36.342 -5.035 -7.703 1.00 14.95 ? 312 LEU A HD13 1 ATOM 4524 H HD21 . LEU A 1 312 ? 35.793 -6.398 -5.310 1.00 15.63 ? 312 LEU A HD21 1 ATOM 4525 H HD22 . LEU A 1 312 ? 36.986 -7.292 -5.809 1.00 15.61 ? 312 LEU A HD22 1 ATOM 4526 H HD23 . LEU A 1 312 ? 35.585 -7.940 -5.518 1.00 15.61 ? 312 LEU A HD23 1 ATOM 4527 N N . ALA A 1 313 ? 32.451 -8.236 -9.045 1.00 10.12 ? 313 ALA A N 1 ATOM 4528 C CA . ALA A 1 313 ? 32.133 -9.465 -9.715 1.00 11.52 ? 313 ALA A CA 1 ATOM 4529 C C . ALA A 1 313 ? 31.321 -9.186 -10.970 1.00 10.80 ? 313 ALA A C 1 ATOM 4530 O O . ALA A 1 313 ? 30.708 -8.134 -11.127 1.00 11.94 ? 313 ALA A O 1 ATOM 4531 C CB . ALA A 1 313 ? 31.387 -10.367 -8.793 1.00 13.02 ? 313 ALA A CB 1 ATOM 4532 H H . ALA A 1 313 ? 31.839 -8.043 -8.264 1.00 12.39 ? 313 ALA A H 1 ATOM 4533 H HA . ALA A 1 313 ? 32.959 -9.923 -9.979 1.00 15.93 ? 313 ALA A HA 1 ATOM 4534 H HB1 . ALA A 1 313 ? 31.880 -10.452 -7.974 1.00 12.39 ? 313 ALA A HB1 1 ATOM 4535 H HB2 . ALA A 1 313 ? 31.291 -11.227 -9.208 1.00 12.39 ? 313 ALA A HB2 1 ATOM 4536 H HB3 . ALA A 1 313 ? 30.522 -9.990 -8.617 1.00 12.39 ? 313 ALA A HB3 1 ATOM 4537 N N . ASP A 1 314 ? 31.270 -10.182 -11.841 1.00 12.23 ? 314 ASP A N 1 ATOM 4538 C CA . ASP A 1 314 ? 30.465 -10.095 -13.034 1.00 12.63 ? 314 ASP A CA 1 ATOM 4539 C C . ASP A 1 314 ? 29.045 -10.482 -12.710 1.00 12.27 ? 314 ASP A C 1 ATOM 4540 O O . ASP A 1 314 ? 28.648 -11.600 -12.855 1.00 17.07 ? 314 ASP A O 1 ATOM 4541 C CB . ASP A 1 314 ? 31.031 -11.049 -14.061 1.00 15.93 ? 314 ASP A CB 1 ATOM 4542 C CG . ASP A 1 314 ? 30.308 -10.978 -15.366 1.00 18.04 ? 314 ASP A CG 1 ATOM 4543 O OD1 . ASP A 1 314 ? 29.386 -10.125 -15.564 1.00 18.99 ? 314 ASP A OD1 1 ATOM 4544 O OD2 . ASP A 1 314 ? 30.658 -11.853 -16.231 1.00 21.85 ? 314 ASP A OD2 1 ATOM 4545 H H . ASP A 1 314 ? 31.772 -11.052 -11.730 1.00 15.93 ? 314 ASP A H 1 ATOM 4546 H HA . ASP A 1 314 ? 30.483 -9.185 -13.400 1.00 15.98 ? 314 ASP A HA 1 ATOM 4547 N N . LEU A 1 315 ? 28.285 -9.507 -12.222 1.00 11.32 ? 315 LEU A N 1 ATOM 4548 C CA . LEU A 1 315 ? 26.941 -9.758 -11.759 1.00 11.50 ? 315 LEU A CA 1 ATOM 4549 C C . LEU A 1 315 ? 25.916 -9.610 -12.849 1.00 11.72 ? 315 LEU A C 1 ATOM 4550 O O . LEU A 1 315 ? 24.850 -10.207 -12.755 1.00 12.82 ? 315 LEU A O 1 ATOM 4551 C CB . LEU A 1 315 ? 26.574 -8.827 -10.601 1.00 11.35 ? 315 LEU A CB 1 ATOM 4552 C CG . LEU A 1 315 ? 27.440 -8.977 -9.371 1.00 11.92 ? 315 LEU A CG 1 ATOM 4553 C CD1 . LEU A 1 315 ? 26.872 -8.085 -8.290 1.00 11.85 ? 315 LEU A CD1 1 ATOM 4554 C CD2 . LEU A 1 315 ? 27.532 -10.427 -8.911 1.00 13.02 ? 315 LEU A CD2 1 ATOM 4555 H H . LEU A 1 315 ? 28.578 -8.544 -12.140 1.00 15.49 ? 315 LEU A H 1 ATOM 4556 H HA . LEU A 1 315 ? 26.875 -10.678 -11.429 1.00 14.54 ? 315 LEU A HA 1 ATOM 4557 H HB2 . LEU A 1 315 ? 26.650 -7.909 -10.905 1.00 15.02 ? 315 LEU A HB2 1 ATOM 4558 H HB3 . LEU A 1 315 ? 25.657 -9.007 -10.339 1.00 15.01 ? 315 LEU A HB3 1 ATOM 4559 H HG . LEU A 1 315 ? 28.337 -8.668 -9.575 1.00 12.00 ? 315 LEU A HG 1 ATOM 4560 H HD11 . LEU A 1 315 ? 26.819 -7.186 -8.622 1.00 14.77 ? 315 LEU A HD11 1 ATOM 4561 H HD12 . LEU A 1 315 ? 27.450 -8.117 -7.524 1.00 14.77 ? 315 LEU A HD12 1 ATOM 4562 H HD13 . LEU A 1 315 ? 25.997 -8.399 -8.053 1.00 14.77 ? 315 LEU A HD13 1 ATOM 4563 H HD21 . LEU A 1 315 ? 26.676 -10.847 -9.025 1.00 14.54 ? 315 LEU A HD21 1 ATOM 4564 H HD22 . LEU A 1 315 ? 27.786 -10.447 -7.985 1.00 14.54 ? 315 LEU A HD22 1 ATOM 4565 H HD23 . LEU A 1 315 ? 28.193 -10.881 -9.439 1.00 14.54 ? 315 LEU A HD23 1 ATOM 4566 N N . GLY A 1 316 ? 26.188 -8.800 -13.869 1.00 11.81 ? 316 GLY A N 1 ATOM 4567 C CA . GLY A 1 316 ? 25.244 -8.564 -14.921 1.00 12.02 ? 316 GLY A CA 1 ATOM 4568 C C . GLY A 1 316 ? 23.941 -7.961 -14.428 1.00 10.09 ? 316 GLY A C 1 ATOM 4569 O O . GLY A 1 316 ? 23.872 -7.323 -13.379 1.00 10.15 ? 316 GLY A O 1 ATOM 4570 H H . GLY A 1 316 ? 27.053 -8.292 -13.985 1.00 15.16 ? 316 GLY A H 1 ATOM 4571 H HA2 . GLY A 1 316 ? 25.633 -7.961 -15.573 1.00 11.59 ? 316 GLY A HA2 1 ATOM 4572 H HA3 . GLY A 1 316 ? 25.048 -9.404 -15.364 1.00 11.59 ? 316 GLY A HA3 1 ATOM 4573 N N . VAL A 1 317 ? 22.884 -8.231 -15.205 1.00 10.00 ? 317 VAL A N 1 ATOM 4574 C CA . VAL A 1 317 ? 21.559 -7.796 -14.904 1.00 9.69 ? 317 VAL A CA 1 ATOM 4575 C C . VAL A 1 317 ? 20.656 -8.906 -15.375 1.00 9.53 ? 317 VAL A C 1 ATOM 4576 O O . VAL A 1 317 ? 20.734 -9.303 -16.536 1.00 12.00 ? 317 VAL A O 1 ATOM 4577 C CB . VAL A 1 317 ? 21.169 -6.515 -15.658 1.00 10.57 ? 317 VAL A CB 1 ATOM 4578 C CG1 . VAL A 1 317 ? 19.769 -6.083 -15.369 1.00 11.02 ? 317 VAL A CG1 1 ATOM 4579 C CG2 . VAL A 1 317 ? 22.145 -5.418 -15.300 1.00 10.46 ? 317 VAL A CG2 1 ATOM 4580 H H . VAL A 1 317 ? 22.957 -8.752 -16.062 1.00 11.59 ? 317 VAL A H 1 ATOM 4581 H HA . VAL A 1 317 ? 21.450 -7.652 -13.942 1.00 16.85 ? 317 VAL A HA 1 ATOM 4582 H HB . VAL A 1 317 ? 21.241 -6.677 -16.622 1.00 10.63 ? 317 VAL A HB 1 ATOM 4583 H HG11 . VAL A 1 317 ? 19.156 -6.730 -15.719 1.00 10.50 ? 317 VAL A HG11 1 ATOM 4584 H HG12 . VAL A 1 317 ? 19.615 -5.238 -15.792 1.00 10.50 ? 317 VAL A HG12 1 ATOM 4585 H HG13 . VAL A 1 317 ? 19.656 -6.002 -14.419 1.00 10.50 ? 317 VAL A HG13 1 ATOM 4586 H HG21 . VAL A 1 317 ? 22.266 -5.404 -14.348 1.00 10.59 ? 317 VAL A HG21 1 ATOM 4587 H HG22 . VAL A 1 317 ? 21.797 -4.575 -15.597 1.00 10.59 ? 317 VAL A HG22 1 ATOM 4588 H HG23 . VAL A 1 317 ? 22.983 -5.591 -15.735 1.00 10.59 ? 317 VAL A HG23 1 ATOM 4589 N N . PRO A 1 318 ? 19.744 -9.404 -14.571 1.00 9.67 ? 318 PRO A N 1 ATOM 4590 C CA . PRO A 1 318 ? 18.872 -10.453 -15.049 1.00 10.46 ? 318 PRO A CA 1 ATOM 4591 C C . PRO A 1 318 ? 17.847 -9.870 -16.005 1.00 9.94 ? 318 PRO A C 1 ATOM 4592 O O . PRO A 1 318 ? 17.554 -8.687 -16.003 1.00 10.45 ? 318 PRO A O 1 ATOM 4593 C CB . PRO A 1 318 ? 18.232 -10.957 -13.790 1.00 11.30 ? 318 PRO A CB 1 ATOM 4594 C CG . PRO A 1 318 ? 18.184 -9.781 -12.920 1.00 11.30 ? 318 PRO A CG 1 ATOM 4595 C CD . PRO A 1 318 ? 19.474 -9.036 -13.187 1.00 10.82 ? 318 PRO A CD 1 ATOM 4596 H HA . PRO A 1 318 ? 19.374 -11.175 -15.480 1.00 10.42 ? 318 PRO A HA 1 ATOM 4597 H HB2 . PRO A 1 318 ? 17.339 -11.288 -13.976 1.00 11.30 ? 318 PRO A HB2 1 ATOM 4598 H HB3 . PRO A 1 318 ? 18.783 -11.653 -13.398 1.00 11.30 ? 318 PRO A HB3 1 ATOM 4599 H HG2 . PRO A 1 318 ? 17.418 -9.234 -13.153 1.00 15.54 ? 318 PRO A HG2 1 ATOM 4600 H HG3 . PRO A 1 318 ? 18.137 -10.063 -11.993 1.00 15.54 ? 318 PRO A HG3 1 ATOM 4601 H HD2 . PRO A 1 318 ? 19.338 -8.079 -13.102 1.00 16.86 ? 318 PRO A HD2 1 ATOM 4602 H HD3 . PRO A 1 318 ? 20.177 -9.358 -12.605 1.00 16.86 ? 318 PRO A HD3 1 ATOM 4603 N N . GLY A 1 319 ? 17.296 -10.735 -16.819 1.00 10.37 ? 319 GLY A N 1 ATOM 4604 C CA . GLY A 1 319 ? 16.328 -10.323 -17.789 1.00 10.62 ? 319 GLY A CA 1 ATOM 4605 C C . GLY A 1 319 ? 16.921 -9.889 -19.086 1.00 11.52 ? 319 GLY A C 1 ATOM 4606 O O . GLY A 1 319 ? 18.027 -10.278 -19.460 1.00 15.31 ? 319 GLY A O 1 ATOM 4607 H H . GLY A 1 319 ? 17.499 -11.724 -16.830 1.00 10.42 ? 319 GLY A H 1 ATOM 4608 H HA2 . GLY A 1 319 ? 15.731 -11.060 -17.964 1.00 13.39 ? 319 GLY A HA2 1 ATOM 4609 H HA3 . GLY A 1 319 ? 15.796 -9.594 -17.433 1.00 13.39 ? 319 GLY A HA3 1 ATOM 4610 N N . GLN A 1 320 ? 16.174 -9.088 -19.785 1.00 10.97 ? 320 GLN A N 1 ATOM 4611 C CA . GLN A 1 320 ? 16.525 -8.616 -21.125 1.00 11.21 ? 320 GLN A CA 1 ATOM 4612 C C . GLN A 1 320 ? 16.824 -7.147 -21.106 1.00 10.91 ? 320 GLN A C 1 ATOM 4613 O O . GLN A 1 320 ? 16.274 -6.430 -20.261 1.00 11.71 ? 320 GLN A O 1 ATOM 4614 C CB . GLN A 1 320 ? 15.379 -8.859 -22.064 1.00 11.89 ? 320 GLN A CB 1 ATOM 4615 C CG . GLN A 1 320 ? 14.932 -10.309 -22.124 1.00 15.25 ? 320 GLN A CG 1 ATOM 4616 C CD . GLN A 1 320 ? 13.606 -10.376 -22.754 1.00 14.92 ? 320 GLN A CD 1 ATOM 4617 O OE1 . GLN A 1 320 ? 12.613 -9.930 -22.151 1.00 18.57 ? 320 GLN A OE1 1 ATOM 4618 N NE2 . GLN A 1 320 ? 13.592 -10.735 -24.009 1.00 15.52 ? 320 GLN A NE2 1 ATOM 4619 H H . GLN A 1 320 ? 15.290 -8.724 -19.463 1.00 13.39 ? 320 GLN A H 1 ATOM 4620 H HA . GLN A 1 320 ? 17.303 -9.107 -21.457 1.00 11.92 ? 320 GLN A HA 1 ATOM 4621 H HB2 . GLN A 1 320 ? 14.626 -8.321 -21.776 1.00 11.92 ? 320 GLN A HB2 1 ATOM 4622 H HB3 . GLN A 1 320 ? 15.646 -8.596 -22.958 1.00 11.92 ? 320 GLN A HB3 1 ATOM 4623 H HG2 . GLN A 1 320 ? 15.563 -10.828 -22.644 1.00 14.69 ? 320 GLN A HG2 1 ATOM 4624 H HG3 . GLN A 1 320 ? 14.856 -10.669 -21.228 1.00 14.69 ? 320 GLN A HG3 1 ATOM 4625 H HE21 . GLN A 1 320 ? 14.189 -10.435 -24.550 1.00 14.69 ? 320 GLN A HE21 1 ATOM 4626 H HE22 . GLN A 1 320 ? 12.984 -11.271 -24.295 1.00 14.69 ? 320 GLN A HE22 1 ATOM 4627 N N . PRO A 1 321 ? 17.632 -6.672 -22.021 1.00 10.65 ? 321 PRO A N 1 ATOM 4628 C CA . PRO A 1 321 ? 18.156 -5.324 -21.906 1.00 10.98 ? 321 PRO A CA 1 ATOM 4629 C C . PRO A 1 321 ? 17.255 -4.244 -22.491 1.00 10.08 ? 321 PRO A C 1 ATOM 4630 O O . PRO A 1 321 ? 17.639 -3.498 -23.408 1.00 11.17 ? 321 PRO A O 1 ATOM 4631 C CB . PRO A 1 321 ? 19.480 -5.392 -22.650 1.00 12.48 ? 321 PRO A CB 1 ATOM 4632 C CG . PRO A 1 321 ? 19.192 -6.386 -23.715 1.00 13.42 ? 321 PRO A CG 1 ATOM 4633 C CD . PRO A 1 321 ? 18.360 -7.430 -23.045 1.00 12.81 ? 321 PRO A CD 1 ATOM 4634 H HA . PRO A 1 321 ? 18.337 -5.116 -20.968 1.00 11.07 ? 321 PRO A HA 1 ATOM 4635 H HB2 . PRO A 1 321 ? 19.723 -4.531 -23.024 1.00 12.35 ? 321 PRO A HB2 1 ATOM 4636 H HB3 . PRO A 1 321 ? 20.173 -5.718 -22.055 1.00 12.35 ? 321 PRO A HB3 1 ATOM 4637 H HG2 . PRO A 1 321 ? 18.696 -5.958 -24.427 1.00 13.29 ? 321 PRO A HG2 1 ATOM 4638 H HG3 . PRO A 1 321 ? 20.021 -6.765 -24.044 1.00 13.29 ? 321 PRO A HG3 1 ATOM 4639 H HD2 . PRO A 1 321 ? 17.743 -7.828 -23.679 1.00 11.92 ? 321 PRO A HD2 1 ATOM 4640 H HD3 . PRO A 1 321 ? 18.932 -8.098 -22.635 1.00 11.92 ? 321 PRO A HD3 1 ATOM 4641 N N . PHE A 1 322 ? 16.069 -4.139 -21.910 1.00 9.96 ? 322 PHE A N 1 ATOM 4642 C CA . PHE A 1 322 ? 15.149 -3.114 -22.259 1.00 9.91 ? 322 PHE A CA 1 ATOM 4643 C C . PHE A 1 322 ? 14.056 -3.029 -21.206 1.00 10.02 ? 322 PHE A C 1 ATOM 4644 O O . PHE A 1 322 ? 13.840 -3.972 -20.458 1.00 9.77 ? 322 PHE A O 1 ATOM 4645 C CB . PHE A 1 322 ? 14.531 -3.297 -23.662 1.00 9.98 ? 322 PHE A CB 1 ATOM 4646 C CG . PHE A 1 322 ? 13.983 -4.667 -23.919 1.00 9.91 ? 322 PHE A CG 1 ATOM 4647 C CD1 . PHE A 1 322 ? 14.766 -5.616 -24.592 1.00 9.89 ? 322 PHE A CD1 1 ATOM 4648 C CD2 . PHE A 1 322 ? 12.720 -5.009 -23.540 1.00 10.38 ? 322 PHE A CD2 1 ATOM 4649 C CE1 . PHE A 1 322 ? 14.248 -6.847 -24.894 1.00 11.11 ? 322 PHE A CE1 1 ATOM 4650 C CE2 . PHE A 1 322 ? 12.195 -6.245 -23.846 1.00 11.50 ? 322 PHE A CE2 1 ATOM 4651 C CZ . PHE A 1 322 ? 12.967 -7.179 -24.528 1.00 11.11 ? 322 PHE A CZ 1 ATOM 4652 H H . PHE A 1 322 ? 15.734 -4.758 -21.187 1.00 10.17 ? 322 PHE A H 1 ATOM 4653 H HA . PHE A 1 322 ? 15.619 -2.255 -22.249 1.00 11.27 ? 322 PHE A HA 1 ATOM 4654 H HB2 . PHE A 1 322 ? 13.803 -2.665 -23.766 1.00 10.20 ? 322 PHE A HB2 1 ATOM 4655 H HB3 . PHE A 1 322 ? 15.213 -3.119 -24.328 1.00 10.20 ? 322 PHE A HB3 1 ATOM 4656 H HD1 . PHE A 1 322 ? 15.624 -5.395 -24.873 1.00 10.20 ? 322 PHE A HD1 1 ATOM 4657 H HD2 . PHE A 1 322 ? 12.187 -4.380 -23.113 1.00 10.20 ? 322 PHE A HD2 1 ATOM 4658 H HE1 . PHE A 1 322 ? 14.774 -7.471 -25.339 1.00 10.20 ? 322 PHE A HE1 1 ATOM 4659 H HE2 . PHE A 1 322 ? 11.332 -6.462 -23.578 1.00 10.20 ? 322 PHE A HE2 1 ATOM 4660 H HZ . PHE A 1 322 ? 12.633 -8.029 -24.703 1.00 10.20 ? 322 PHE A HZ 1 ATOM 4661 N N . ARG A 1 323 ? 13.358 -1.904 -21.148 1.00 9.94 ? 323 ARG A N 1 ATOM 4662 C CA . ARG A 1 323 ? 12.346 -1.715 -20.130 1.00 10.54 ? 323 ARG A CA 1 ATOM 4663 C C . ARG A 1 323 ? 11.258 -2.748 -20.356 1.00 10.32 ? 323 ARG A C 1 ATOM 4664 O O . ARG A 1 323 ? 10.846 -2.991 -21.462 1.00 11.23 ? 323 ARG A O 1 ATOM 4665 C CB . ARG A 1 323 ? 11.721 -0.353 -20.177 1.00 11.29 ? 323 ARG A CB 1 ATOM 4666 C CG . ARG A 1 323 ? 12.675 0.773 -20.017 1.00 11.78 ? 323 ARG A CG 1 ATOM 4667 C CD . ARG A 1 323 ? 11.940 2.087 -19.811 1.00 12.33 ? 323 ARG A CD 1 ATOM 4668 N NE . ARG A 1 323 ? 12.867 3.215 -19.952 1.00 12.81 ? 323 ARG A NE 1 ATOM 4669 C CZ . ARG A 1 323 ? 13.728 3.617 -19.033 1.00 11.61 ? 323 ARG A CZ 1 ATOM 4670 N NH1 . ARG A 1 323 ? 13.705 3.125 -17.814 1.00 12.33 ? 323 ARG A NH1 1 ATOM 4671 N NH2 . ARG A 1 323 ? 14.564 4.596 -19.337 1.00 12.80 ? 323 ARG A NH2 1 ATOM 4672 H H . ARG A 1 323 ? 13.468 -1.135 -21.794 1.00 11.58 ? 323 ARG A H 1 ATOM 4673 H HA . ARG A 1 323 ? 12.741 -1.849 -19.244 1.00 10.77 ? 323 ARG A HA 1 ATOM 4674 H HB2 . ARG A 1 323 ? 11.279 -0.242 -21.034 1.00 15.29 ? 323 ARG A HB2 1 ATOM 4675 H HB3 . ARG A 1 323 ? 11.068 -0.289 -19.462 1.00 15.29 ? 323 ARG A HB3 1 ATOM 4676 H HG2 . ARG A 1 323 ? 13.235 0.612 -19.242 1.00 11.58 ? 323 ARG A HG2 1 ATOM 4677 H HG3 . ARG A 1 323 ? 13.218 0.857 -20.815 1.00 11.58 ? 323 ARG A HG3 1 ATOM 4678 H HD2 . ARG A 1 323 ? 11.255 2.177 -20.492 1.00 12.25 ? 323 ARG A HD2 1 ATOM 4679 H HD3 . ARG A 1 323 ? 11.537 2.108 -18.930 1.00 12.25 ? 323 ARG A HD3 1 ATOM 4680 H HE . ARG A 1 323 ? 12.767 3.765 -20.745 1.00 12.25 ? 323 ARG A HE 1 ATOM 4681 H HH11 . ARG A 1 323 ? 13.180 2.478 -17.608 1.00 12.25 ? 323 ARG A HH11 1 ATOM 4682 H HH12 . ARG A 1 323 ? 14.256 3.420 -17.224 1.00 12.25 ? 323 ARG A HH12 1 ATOM 4683 H HH21 . ARG A 1 323 ? 14.558 4.945 -20.123 1.00 12.25 ? 323 ARG A HH21 1 ATOM 4684 H HH22 . ARG A 1 323 ? 15.093 4.913 -18.736 1.00 12.25 ? 323 ARG A HH22 1 ATOM 4685 N N . GLY A 1 324 ? 10.818 -3.342 -19.261 1.00 10.82 ? 324 GLY A N 1 ATOM 4686 C CA . GLY A 1 324 ? 9.843 -4.393 -19.339 1.00 11.82 ? 324 GLY A CA 1 ATOM 4687 C C . GLY A 1 324 ? 10.404 -5.755 -19.667 1.00 11.45 ? 324 GLY A C 1 ATOM 4688 O O . GLY A 1 324 ? 9.646 -6.710 -19.752 1.00 13.13 ? 324 GLY A O 1 ATOM 4689 H H . GLY A 1 324 ? 11.109 -3.115 -18.322 1.00 10.77 ? 324 GLY A H 1 ATOM 4690 H HA2 . GLY A 1 324 ? 9.394 -4.460 -18.482 1.00 15.31 ? 324 GLY A HA2 1 ATOM 4691 H HA3 . GLY A 1 324 ? 9.173 -4.173 -20.006 1.00 15.31 ? 324 GLY A HA3 1 ATOM 4692 N N . GLY A 1 325 ? 11.720 -5.843 -19.848 1.00 11.03 ? 325 GLY A N 1 ATOM 4693 C CA . GLY A 1 325 ? 12.390 -7.082 -20.206 1.00 11.83 ? 325 GLY A CA 1 ATOM 4694 C C . GLY A 1 325 ? 12.611 -7.981 -19.009 1.00 10.49 ? 325 GLY A C 1 ATOM 4695 O O . GLY A 1 325 ? 13.723 -8.337 -18.658 1.00 11.79 ? 325 GLY A O 1 ATOM 4696 H H . GLY A 1 325 ? 12.368 -5.078 -19.742 1.00 11.26 ? 325 GLY A H 1 ATOM 4697 H HA2 . GLY A 1 325 ? 11.866 -7.564 -20.864 1.00 11.92 ? 325 GLY A HA2 1 ATOM 4698 H HA3 . GLY A 1 325 ? 13.254 -6.874 -20.594 1.00 11.92 ? 325 GLY A HA3 1 ATOM 4699 N N . ALA A 1 326 ? 11.502 -8.373 -18.409 1.00 11.02 ? 326 ALA A N 1 ATOM 4700 C CA . ALA A 1 326 ? 11.484 -9.207 -17.225 1.00 10.43 ? 326 ALA A CA 1 ATOM 4701 C C . ALA A 1 326 ? 10.286 -10.105 -17.295 1.00 11.15 ? 326 ALA A C 1 ATOM 4702 O O . ALA A 1 326 ? 9.342 -9.846 -18.038 1.00 12.64 ? 326 ALA A O 1 ATOM 4703 C CB . ALA A 1 326 ? 11.437 -8.352 -15.965 1.00 11.18 ? 326 ALA A CB 1 ATOM 4704 H H . ALA A 1 326 ? 10.576 -8.133 -18.732 1.00 11.30 ? 326 ALA A H 1 ATOM 4705 H HA . ALA A 1 326 ? 12.287 -9.769 -17.192 1.00 12.09 ? 326 ALA A HA 1 ATOM 4706 H HB1 . ALA A 1 326 ? 12.049 -7.619 -16.066 1.00 11.43 ? 326 ALA A HB1 1 ATOM 4707 H HB2 . ALA A 1 326 ? 11.693 -8.887 -15.213 1.00 11.43 ? 326 ALA A HB2 1 ATOM 4708 H HB3 . ALA A 1 326 ? 10.546 -8.018 -15.843 1.00 11.43 ? 326 ALA A HB3 1 ATOM 4709 N N . ASP A 1 327 ? 10.305 -11.134 -16.496 1.00 11.13 ? 327 ASP A N 1 ATOM 4710 C CA . ASP A 1 327 ? 9.159 -12.021 -16.388 1.00 11.77 ? 327 ASP A CA 1 ATOM 4711 C C . ASP A 1 327 ? 7.962 -11.309 -15.774 1.00 11.95 ? 327 ASP A C 1 ATOM 4712 O O . ASP A 1 327 ? 6.826 -11.538 -16.155 1.00 15.35 ? 327 ASP A O 1 ATOM 4713 C CB . ASP A 1 327 ? 9.512 -13.262 -15.616 1.00 12.45 ? 327 ASP A CB 1 ATOM 4714 C CG . ASP A 1 327 ? 10.620 -14.057 -16.292 1.00 13.76 ? 327 ASP A CG 1 ATOM 4715 O OD1 . ASP A 1 327 ? 10.449 -14.368 -17.473 1.00 16.75 ? 327 ASP A OD1 1 ATOM 4716 O OD2 . ASP A 1 327 ? 11.637 -14.313 -15.639 1.00 14.88 ? 327 ASP A OD2 1 ATOM 4717 H H . ASP A 1 327 ? 11.084 -11.376 -15.901 1.00 12.09 ? 327 ASP A H 1 ATOM 4718 H HA . ASP A 1 327 ? 8.896 -12.304 -17.289 1.00 12.09 ? 327 ASP A HA 1 ATOM 4719 H HB2 . ASP A 1 327 ? 9.813 -13.011 -14.729 1.00 12.09 ? 327 ASP A HB2 1 ATOM 4720 H HB3 . ASP A 1 327 ? 8.728 -13.831 -15.554 1.00 12.09 ? 327 ASP A HB3 1 ATOM 4721 N N . ASP A 1 328 ? 8.241 -10.476 -14.776 1.00 12.34 ? 328 ASP A N 1 ATOM 4722 C CA . ASP A 1 328 ? 7.179 -9.743 -14.093 1.00 12.39 ? 328 ASP A CA 1 ATOM 4723 C C . ASP A 1 328 ? 7.619 -8.309 -13.956 1.00 11.23 ? 328 ASP A C 1 ATOM 4724 O O . ASP A 1 328 ? 8.225 -7.913 -12.961 1.00 12.48 ? 328 ASP A O 1 ATOM 4725 C CB . ASP A 1 328 ? 6.898 -10.365 -12.735 1.00 14.70 ? 328 ASP A CB 1 ATOM 4726 C CG . ASP A 1 328 ? 5.619 -9.895 -12.106 1.00 21.14 ? 328 ASP A CG 1 ATOM 4727 O OD1 . ASP A 1 328 ? 4.791 -9.246 -12.819 1.00 26.90 ? 328 ASP A OD1 1 ATOM 4728 O OD2 . ASP A 1 328 ? 5.430 -10.195 -10.914 1.00 27.38 ? 328 ASP A OD2 1 ATOM 4729 H H . ASP A 1 328 ? 9.166 -10.295 -14.414 1.00 12.42 ? 328 ASP A H 1 ATOM 4730 H HA . ASP A 1 328 ? 6.354 -9.773 -14.617 1.00 12.71 ? 328 ASP A HA 1 ATOM 4731 H HB2 . ASP A 1 328 ? 6.831 -11.327 -12.846 1.00 11.56 ? 328 ASP A HB2 1 ATOM 4732 H HB3 . ASP A 1 328 ? 7.625 -10.160 -12.128 1.00 11.56 ? 328 ASP A HB3 1 ATOM 4733 N N . PRO A 1 329 ? 7.364 -7.508 -14.988 1.00 11.37 ? 329 PRO A N 1 ATOM 4734 C CA . PRO A 1 329 ? 7.758 -6.113 -14.957 1.00 11.69 ? 329 PRO A CA 1 ATOM 4735 C C . PRO A 1 329 ? 6.672 -5.280 -14.324 1.00 11.53 ? 329 PRO A C 1 ATOM 4736 O O . PRO A 1 329 ? 5.506 -5.355 -14.730 1.00 15.65 ? 329 PRO A O 1 ATOM 4737 C CB . PRO A 1 329 ? 7.946 -5.764 -16.400 1.00 14.16 ? 329 PRO A CB 1 ATOM 4738 C CG . PRO A 1 329 ? 7.048 -6.672 -17.129 1.00 13.81 ? 329 PRO A CG 1 ATOM 4739 C CD . PRO A 1 329 ? 6.892 -7.916 -16.313 1.00 13.13 ? 329 PRO A CD 1 ATOM 4740 H HA . PRO A 1 329 ? 8.605 -5.992 -14.483 1.00 8.76 ? 329 PRO A HA 1 ATOM 4741 H HB2 . PRO A 1 329 ? 7.704 -4.840 -16.551 1.00 15.31 ? 329 PRO A HB2 1 ATOM 4742 H HB3 . PRO A 1 329 ? 8.869 -5.921 -16.654 1.00 15.31 ? 329 PRO A HB3 1 ATOM 4743 H HG2 . PRO A 1 329 ? 6.188 -6.241 -17.250 1.00 13.45 ? 329 PRO A HG2 1 ATOM 4744 H HG3 . PRO A 1 329 ? 7.440 -6.885 -17.990 1.00 13.45 ? 329 PRO A HG3 1 ATOM 4745 H HD2 . PRO A 1 329 ? 5.959 -8.179 -16.277 1.00 12.71 ? 329 PRO A HD2 1 ATOM 4746 H HD3 . PRO A 1 329 ? 7.448 -8.623 -16.671 1.00 12.71 ? 329 PRO A HD3 1 ATOM 4747 N N . LEU A 1 330 ? 7.032 -4.538 -13.313 1.00 9.78 ? 330 LEU A N 1 ATOM 4748 C CA . LEU A 1 330 ? 6.116 -3.742 -12.539 1.00 10.51 ? 330 LEU A CA 1 ATOM 4749 C C . LEU A 1 330 ? 6.519 -2.291 -12.668 1.00 9.87 ? 330 LEU A C 1 ATOM 4750 O O . LEU A 1 330 ? 7.695 -1.952 -12.796 1.00 10.15 ? 330 LEU A O 1 ATOM 4751 C CB . LEU A 1 330 ? 6.146 -4.131 -11.066 1.00 11.01 ? 330 LEU A CB 1 ATOM 4752 C CG . LEU A 1 330 ? 5.766 -5.580 -10.766 1.00 14.05 ? 330 LEU A CG 1 ATOM 4753 C CD1 . LEU A 1 330 ? 5.936 -5.869 -9.312 1.00 16.60 ? 330 LEU A CD1 1 ATOM 4754 C CD2 . LEU A 1 330 ? 4.380 -5.917 -11.245 1.00 21.18 ? 330 LEU A CD2 1 ATOM 4755 H H . LEU A 1 330 ? 7.984 -4.459 -12.988 1.00 8.76 ? 330 LEU A H 1 ATOM 4756 H HA . LEU A 1 330 ? 5.202 -3.846 -12.873 1.00 16.00 ? 330 LEU A HA 1 ATOM 4757 H HB2 . LEU A 1 330 ? 7.045 -3.990 -10.729 1.00 16.00 ? 330 LEU A HB2 1 ATOM 4758 H HB3 . LEU A 1 330 ? 5.526 -3.562 -10.584 1.00 16.00 ? 330 LEU A HB3 1 ATOM 4759 H HG . LEU A 1 330 ? 6.381 -6.159 -11.243 1.00 13.46 ? 330 LEU A HG 1 ATOM 4760 H HD11 . LEU A 1 330 ? 6.835 -5.655 -9.053 1.00 16.00 ? 330 LEU A HD11 1 ATOM 4761 H HD12 . LEU A 1 330 ? 5.764 -6.800 -9.155 1.00 16.00 ? 330 LEU A HD12 1 ATOM 4762 H HD13 . LEU A 1 330 ? 5.315 -5.332 -8.813 1.00 16.00 ? 330 LEU A HD13 1 ATOM 4763 H HD21 . LEU A 1 330 ? 3.780 -5.214 -10.984 1.00 16.00 ? 330 LEU A HD21 1 ATOM 4764 H HD22 . LEU A 1 330 ? 4.103 -6.747 -10.850 1.00 16.00 ? 330 LEU A HD22 1 ATOM 4765 H HD23 . LEU A 1 330 ? 4.391 -6.000 -12.201 1.00 16.00 ? 330 LEU A HD23 1 ATOM 4766 N N . VAL A 1 331 ? 5.535 -1.427 -12.556 1.00 10.09 ? 331 VAL A N 1 ATOM 4767 C CA . VAL A 1 331 ? 5.728 -0.002 -12.444 1.00 10.19 ? 331 VAL A CA 1 ATOM 4768 C C . VAL A 1 331 ? 4.849 0.431 -11.298 1.00 10.34 ? 331 VAL A C 1 ATOM 4769 O O . VAL A 1 331 ? 3.644 0.269 -11.368 1.00 13.96 ? 331 VAL A O 1 ATOM 4770 C CB . VAL A 1 331 ? 5.375 0.719 -13.741 1.00 12.47 ? 331 VAL A CB 1 ATOM 4771 C CG1 . VAL A 1 331 ? 5.681 2.205 -13.586 1.00 13.06 ? 331 VAL A CG1 1 ATOM 4772 C CG2 . VAL A 1 331 ? 6.110 0.142 -14.921 1.00 12.84 ? 331 VAL A CG2 1 ATOM 4773 H H . VAL A 1 331 ? 4.561 -1.694 -12.544 1.00 16.00 ? 331 VAL A H 1 ATOM 4774 H HA . VAL A 1 331 ? 6.660 0.200 -12.220 1.00 13.01 ? 331 VAL A HA 1 ATOM 4775 H HB . VAL A 1 331 ? 4.414 0.623 -13.909 1.00 12.16 ? 331 VAL A HB 1 ATOM 4776 H HG11 . VAL A 1 331 ? 4.998 2.613 -13.048 1.00 13.01 ? 331 VAL A HG11 1 ATOM 4777 H HG12 . VAL A 1 331 ? 5.694 2.615 -14.453 1.00 13.01 ? 331 VAL A HG12 1 ATOM 4778 H HG13 . VAL A 1 331 ? 6.537 2.310 -13.164 1.00 13.01 ? 331 VAL A HG13 1 ATOM 4779 H HG21 . VAL A 1 331 ? 7.050 0.132 -14.728 1.00 13.01 ? 331 VAL A HG21 1 ATOM 4780 H HG22 . VAL A 1 331 ? 5.937 0.684 -15.692 1.00 13.01 ? 331 VAL A HG22 1 ATOM 4781 H HG23 . VAL A 1 331 ? 5.799 -0.753 -15.079 1.00 13.01 ? 331 VAL A HG23 1 ATOM 4782 N N . LEU A 1 332 ? 5.442 0.945 -10.243 1.00 9.95 ? 332 LEU A N 1 ATOM 4783 C CA . LEU A 1 332 ? 4.647 1.341 -9.095 1.00 10.30 ? 332 LEU A CA 1 ATOM 4784 C C . LEU A 1 332 ? 4.333 2.800 -9.201 1.00 10.43 ? 332 LEU A C 1 ATOM 4785 O O . LEU A 1 332 ? 5.141 3.630 -9.530 1.00 12.96 ? 332 LEU A O 1 ATOM 4786 C CB . LEU A 1 332 ? 5.390 1.058 -7.804 1.00 10.62 ? 332 LEU A CB 1 ATOM 4787 C CG . LEU A 1 332 ? 5.815 -0.388 -7.619 1.00 11.44 ? 332 LEU A CG 1 ATOM 4788 C CD1 . LEU A 1 332 ? 6.401 -0.568 -6.254 1.00 12.66 ? 332 LEU A CD1 1 ATOM 4789 C CD2 . LEU A 1 332 ? 4.668 -1.341 -7.786 1.00 14.44 ? 332 LEU A CD2 1 ATOM 4790 H H . LEU A 1 332 ? 6.435 1.101 -10.146 1.00 13.01 ? 332 LEU A H 1 ATOM 4791 H HA . LEU A 1 332 ? 3.805 0.840 -9.075 1.00 14.25 ? 332 LEU A HA 1 ATOM 4792 H HB2 . LEU A 1 332 ? 6.191 1.604 -7.782 1.00 11.76 ? 332 LEU A HB2 1 ATOM 4793 H HB3 . LEU A 1 332 ? 4.814 1.294 -7.059 1.00 11.76 ? 332 LEU A HB3 1 ATOM 4794 H HG . LEU A 1 332 ? 6.495 -0.611 -8.274 1.00 11.44 ? 332 LEU A HG 1 ATOM 4795 H HD11 . LEU A 1 332 ? 7.065 0.110 -6.106 1.00 13.72 ? 332 LEU A HD11 1 ATOM 4796 H HD12 . LEU A 1 332 ? 6.805 -1.437 -6.199 1.00 13.72 ? 332 LEU A HD12 1 ATOM 4797 H HD13 . LEU A 1 332 ? 5.703 -0.489 -5.600 1.00 13.72 ? 332 LEU A HD13 1 ATOM 4798 H HD21 . LEU A 1 332 ? 3.896 -0.983 -7.341 1.00 13.72 ? 332 LEU A HD21 1 ATOM 4799 H HD22 . LEU A 1 332 ? 4.902 -2.190 -7.402 1.00 13.72 ? 332 LEU A HD22 1 ATOM 4800 H HD23 . LEU A 1 332 ? 4.484 -1.450 -8.722 1.00 13.72 ? 332 LEU A HD23 1 ATOM 4801 N N . ASN A 1 333 ? 3.085 3.122 -8.860 1.00 10.73 ? 333 ASN A N 1 ATOM 4802 C CA . ASN A 1 333 ? 2.630 4.486 -8.775 1.00 10.99 ? 333 ASN A CA 1 ATOM 4803 C C . ASN A 1 333 ? 2.800 4.981 -7.363 1.00 10.02 ? 333 ASN A C 1 ATOM 4804 O O . ASN A 1 333 ? 2.044 4.567 -6.464 1.00 11.16 ? 333 ASN A O 1 ATOM 4805 C CB . ASN A 1 333 ? 1.167 4.551 -9.203 1.00 13.33 ? 333 ASN A CB 1 ATOM 4806 C CG . ASN A 1 333 ? 0.593 5.922 -9.151 1.00 17.15 ? 333 ASN A CG 1 ATOM 4807 O OD1 . ASN A 1 333 ? 1.283 6.871 -8.822 1.00 21.02 ? 333 ASN A OD1 1 ATOM 4808 N ND2 . ASN A 1 333 ? -0.666 6.054 -9.456 1.00 21.57 ? 333 ASN A ND2 1 ATOM 4809 H H . ASN A 1 333 ? 2.374 2.443 -8.631 1.00 14.25 ? 333 ASN A H 1 ATOM 4810 H HA . ASN A 1 333 ? 3.147 5.055 -9.382 1.00 13.47 ? 333 ASN A HA 1 ATOM 4811 N N . LEU A 1 334 ? 3.804 5.779 -7.142 1.00 9.75 ? 334 LEU A N 1 ATOM 4812 C CA . LEU A 1 334 ? 4.219 6.205 -5.818 1.00 9.72 ? 334 LEU A CA 1 ATOM 4813 C C . LEU A 1 334 ? 3.699 7.607 -5.614 1.00 10.25 ? 334 LEU A C 1 ATOM 4814 O O . LEU A 1 334 ? 4.046 8.499 -6.417 1.00 12.06 ? 334 LEU A O 1 ATOM 4815 C CB . LEU A 1 334 ? 5.744 6.202 -5.784 1.00 9.44 ? 334 LEU A CB 1 ATOM 4816 C CG . LEU A 1 334 ? 6.377 4.843 -6.072 1.00 9.81 ? 334 LEU A CG 1 ATOM 4817 C CD1 . LEU A 1 334 ? 7.873 5.040 -6.131 1.00 11.11 ? 334 LEU A CD1 1 ATOM 4818 C CD2 . LEU A 1 334 ? 5.983 3.782 -5.107 1.00 10.63 ? 334 LEU A CD2 1 ATOM 4819 H H . LEU A 1 334 ? 4.374 6.171 -7.878 1.00 13.20 ? 334 LEU A H 1 ATOM 4820 H HA . LEU A 1 334 ? 3.871 5.612 -5.120 1.00 11.55 ? 334 LEU A HA 1 ATOM 4821 H HB2 . LEU A 1 334 ? 6.074 6.828 -6.447 1.00 12.93 ? 334 LEU A HB2 1 ATOM 4822 H HB3 . LEU A 1 334 ? 6.034 6.479 -4.905 1.00 12.93 ? 334 LEU A HB3 1 ATOM 4823 H HG . LEU A 1 334 ? 6.094 4.551 -6.952 1.00 9.88 ? 334 LEU A HG 1 ATOM 4824 H HD11 . LEU A 1 334 ? 8.081 5.651 -6.841 1.00 12.69 ? 334 LEU A HD11 1 ATOM 4825 H HD12 . LEU A 1 334 ? 8.294 4.193 -6.296 1.00 12.68 ? 334 LEU A HD12 1 ATOM 4826 H HD13 . LEU A 1 334 ? 8.174 5.397 -5.292 1.00 12.68 ? 334 LEU A HD13 1 ATOM 4827 H HD21 . LEU A 1 334 ? 6.072 4.124 -4.215 1.00 12.55 ? 334 LEU A HD21 1 ATOM 4828 H HD22 . LEU A 1 334 ? 6.557 3.022 -5.225 1.00 12.55 ? 334 LEU A HD22 1 ATOM 4829 H HD23 . LEU A 1 334 ? 5.072 3.531 -5.273 1.00 12.55 ? 334 LEU A HD23 1 ATOM 4830 N N . ALA A 1 335 ? 2.891 7.819 -4.590 1.00 9.64 ? 335 ALA A N 1 ATOM 4831 C CA . ALA A 1 335 ? 2.224 9.095 -4.451 1.00 10.37 ? 335 ALA A CA 1 ATOM 4832 C C . ALA A 1 335 ? 2.166 9.517 -3.023 1.00 9.20 ? 335 ALA A C 1 ATOM 4833 O O . ALA A 1 335 ? 2.318 8.729 -2.088 1.00 9.42 ? 335 ALA A O 1 ATOM 4834 C CB . ALA A 1 335 ? 0.824 9.029 -5.025 1.00 11.77 ? 335 ALA A CB 1 ATOM 4835 H H . ALA A 1 335 ? 2.682 7.149 -3.863 1.00 11.55 ? 335 ALA A H 1 ATOM 4836 H HA . ALA A 1 335 ? 2.718 9.785 -4.940 1.00 9.98 ? 335 ALA A HA 1 ATOM 4837 H HB1 . ALA A 1 335 ? 0.885 8.852 -5.966 1.00 13.99 ? 335 ALA A HB1 1 ATOM 4838 H HB2 . ALA A 1 335 ? 0.384 9.870 -4.882 1.00 13.99 ? 335 ALA A HB2 1 ATOM 4839 H HB3 . ALA A 1 335 ? 0.342 8.322 -4.592 1.00 13.99 ? 335 ALA A HB3 1 ATOM 4840 N N . PHE A 1 336 ? 1.937 10.816 -2.842 1.00 9.47 ? 336 PHE A N 1 ATOM 4841 C CA . PHE A 1 336 ? 1.758 11.408 -1.530 1.00 9.28 ? 336 PHE A CA 1 ATOM 4842 C C . PHE A 1 336 ? 0.655 12.437 -1.633 1.00 10.35 ? 336 PHE A C 1 ATOM 4843 O O . PHE A 1 336 ? 0.661 13.244 -2.543 1.00 11.29 ? 336 PHE A O 1 ATOM 4844 C CB . PHE A 1 336 ? 2.992 12.108 -1.024 1.00 10.29 ? 336 PHE A CB 1 ATOM 4845 C CG . PHE A 1 336 ? 2.795 12.825 0.269 1.00 10.16 ? 336 PHE A CG 1 ATOM 4846 C CD1 . PHE A 1 336 ? 2.928 12.172 1.480 1.00 10.21 ? 336 PHE A CD1 1 ATOM 4847 C CD2 . PHE A 1 336 ? 2.454 14.160 0.262 1.00 11.08 ? 336 PHE A CD2 1 ATOM 4848 C CE1 . PHE A 1 336 ? 2.728 12.842 2.672 1.00 11.74 ? 336 PHE A CE1 1 ATOM 4849 C CE2 . PHE A 1 336 ? 2.266 14.828 1.448 1.00 12.25 ? 336 PHE A CE2 1 ATOM 4850 C CZ . PHE A 1 336 ? 2.392 14.177 2.659 1.00 11.81 ? 336 PHE A CZ 1 ATOM 4851 H H . PHE A 1 336 ? 1.874 11.484 -3.598 1.00 9.98 ? 336 PHE A H 1 ATOM 4852 H HA . PHE A 1 336 ? 1.499 10.724 -0.881 1.00 9.26 ? 336 PHE A HA 1 ATOM 4853 H HB2 . PHE A 1 336 ? 3.689 11.448 -0.892 1.00 11.44 ? 336 PHE A HB2 1 ATOM 4854 H HB3 . PHE A 1 336 ? 3.278 12.755 -1.686 1.00 11.44 ? 336 PHE A HB3 1 ATOM 4855 H HD1 . PHE A 1 336 ? 3.148 11.270 1.491 1.00 11.44 ? 336 PHE A HD1 1 ATOM 4856 H HD2 . PHE A 1 336 ? 2.363 14.607 -0.546 1.00 11.44 ? 336 PHE A HD2 1 ATOM 4857 H HE1 . PHE A 1 336 ? 2.824 12.393 3.481 1.00 11.44 ? 336 PHE A HE1 1 ATOM 4858 H HE2 . PHE A 1 336 ? 2.038 15.729 1.434 1.00 11.44 ? 336 PHE A HE2 1 ATOM 4859 H HZ . PHE A 1 336 ? 2.265 14.639 3.455 1.00 11.44 ? 336 PHE A HZ 1 ATOM 4860 N N . ALA A 1 337 ? -0.256 12.415 -0.665 1.00 9.89 ? 337 ALA A N 1 ATOM 4861 C CA . ALA A 1 337 ? -1.223 13.484 -0.539 1.00 11.21 ? 337 ALA A CA 1 ATOM 4862 C C . ALA A 1 337 ? -1.725 13.501 0.875 1.00 11.09 ? 337 ALA A C 1 ATOM 4863 O O . ALA A 1 337 ? -1.984 12.458 1.456 1.00 10.75 ? 337 ALA A O 1 ATOM 4864 C CB . ALA A 1 337 ? -2.396 13.297 -1.481 1.00 14.41 ? 337 ALA A CB 1 ATOM 4865 H H . ALA A 1 337 ? -0.344 11.682 0.025 1.00 9.26 ? 337 ALA A H 1 ATOM 4866 H HA . ALA A 1 337 ? -0.797 14.345 -0.735 1.00 11.36 ? 337 ALA A HA 1 ATOM 4867 H HB1 . ALA A 1 337 ? -2.066 13.203 -2.377 1.00 28.11 ? 337 ALA A HB1 1 ATOM 4868 H HB2 . ALA A 1 337 ? -2.968 14.065 -1.422 1.00 28.11 ? 337 ALA A HB2 1 ATOM 4869 H HB3 . ALA A 1 337 ? -2.880 12.508 -1.227 1.00 28.11 ? 337 ALA A HB3 1 ATOM 4870 N N . ASN A 1 338 ? -1.924 14.672 1.406 1.00 11.34 ? 338 ASN A N 1 ATOM 4871 C CA . ASN A 1 338 ? -2.653 14.813 2.678 1.00 11.19 ? 338 ASN A CA 1 ATOM 4872 C C . ASN A 1 338 ? -2.049 14.058 3.818 1.00 12.03 ? 338 ASN A C 1 ATOM 4873 O O . ASN A 1 338 ? -2.769 13.555 4.666 1.00 14.63 ? 338 ASN A O 1 ATOM 4874 C CB . ASN A 1 338 ? -4.120 14.433 2.500 1.00 11.62 ? 338 ASN A CB 1 ATOM 4875 C CG . ASN A 1 338 ? -4.780 15.312 1.535 1.00 13.48 ? 338 ASN A CG 1 ATOM 4876 O OD1 . ASN A 1 338 ? -4.458 16.504 1.405 1.00 15.27 ? 338 ASN A OD1 1 ATOM 4877 N ND2 . ASN A 1 338 ? -5.794 14.775 0.897 1.00 15.94 ? 338 ASN A ND2 1 ATOM 4878 H H . ASN A 1 338 ? -1.610 15.546 1.011 1.00 11.36 ? 338 ASN A H 1 ATOM 4879 H HA . ASN A 1 338 ? -2.625 15.759 2.935 1.00 11.72 ? 338 ASN A HA 1 ATOM 4880 N N . GLY A 1 339 ? -0.728 13.980 3.850 1.00 11.99 ? 339 GLY A N 1 ATOM 4881 C CA . GLY A 1 339 ? -0.026 13.353 4.940 1.00 13.27 ? 339 GLY A CA 1 ATOM 4882 C C . GLY A 1 339 ? 0.184 11.866 4.781 1.00 11.85 ? 339 GLY A C 1 ATOM 4883 O O . GLY A 1 339 ? 0.825 11.282 5.614 1.00 15.25 ? 339 GLY A O 1 ATOM 4884 H H . GLY A 1 339 ? -0.122 14.354 3.138 1.00 12.08 ? 339 GLY A H 1 ATOM 4885 H HA2 . GLY A 1 339 ? 0.846 13.765 5.029 1.00 11.44 ? 339 GLY A HA2 1 ATOM 4886 H HA3 . GLY A 1 339 ? -0.505 13.504 5.769 1.00 11.44 ? 339 GLY A HA3 1 ATOM 4887 N N . ARG A 1 340 ? -0.315 11.286 3.697 1.00 11.10 ? 340 ARG A N 1 ATOM 4888 C CA . ARG A 1 340 ? -0.227 9.845 3.490 1.00 12.16 ? 340 ARG A CA 1 ATOM 4889 C C . ARG A 1 340 ? 0.436 9.552 2.165 1.00 10.05 ? 340 ARG A C 1 ATOM 4890 O O . ARG A 1 340 ? 0.150 10.158 1.133 1.00 10.55 ? 340 ARG A O 1 ATOM 4891 C CB . ARG A 1 340 ? -1.611 9.166 3.515 1.00 18.70 ? 340 ARG A CB 1 ATOM 4892 C CG . ARG A 1 340 ? -2.311 9.156 4.905 1.00 21.27 ? 340 ARG A CG 1 ATOM 4893 C CD . ARG A 1 340 ? -1.611 8.368 6.009 1.00 25.35 ? 340 ARG A CD 1 ATOM 4894 N NE . ARG A 1 340 ? -1.446 6.940 5.863 1.00 15.02 ? 340 ARG A NE 1 ATOM 4895 C CZ . ARG A 1 340 ? -0.829 6.170 6.718 1.00 19.11 ? 340 ARG A CZ 1 ATOM 4896 N NH1 . ARG A 1 340 ? -0.623 4.935 6.386 1.00 22.03 ? 340 ARG A NH1 1 ATOM 4897 N NH2 . ARG A 1 340 ? -0.485 6.637 7.927 1.00 21.34 ? 340 ARG A NH2 1 ATOM 4898 H H . ARG A 1 340 ? -0.777 11.765 2.940 1.00 11.28 ? 340 ARG A H 1 ATOM 4899 H HA . ARG A 1 340 ? 0.314 9.442 4.198 1.00 26.18 ? 340 ARG A HA 1 ATOM 4900 H HB2 . ARG A 1 340 ? -2.185 9.620 2.883 1.00 14.83 ? 340 ARG A HB2 1 ATOM 4901 H HB3 . ARG A 1 340 ? -1.503 8.241 3.243 1.00 14.83 ? 340 ARG A HB3 1 ATOM 4902 H HG2 . ARG A 1 340 ? -2.384 10.073 5.212 1.00 15.96 ? 340 ARG A HG2 1 ATOM 4903 H HG3 . ARG A 1 340 ? -3.199 8.782 4.804 1.00 15.96 ? 340 ARG A HG3 1 ATOM 4904 H HD2 . ARG A 1 340 ? -0.725 8.742 6.126 1.00 26.51 ? 340 ARG A HD2 1 ATOM 4905 H HD3 . ARG A 1 340 ? -2.115 8.501 6.824 1.00 26.51 ? 340 ARG A HD3 1 ATOM 4906 H HE . ARG A 1 340 ? -1.976 6.511 5.173 1.00 26.77 ? 340 ARG A HE 1 ATOM 4907 H HH11 . ARG A 1 340 ? -0.889 4.639 5.624 1.00 26.77 ? 340 ARG A HH11 1 ATOM 4908 H HH12 . ARG A 1 340 ? -0.293 4.387 6.960 1.00 26.77 ? 340 ARG A HH12 1 ATOM 4909 H HH21 . ARG A 1 340 ? -0.593 7.465 8.130 1.00 26.68 ? 340 ARG A HH21 1 ATOM 4910 H HH22 . ARG A 1 340 ? -0.110 6.112 8.496 1.00 26.69 ? 340 ARG A HH22 1 ATOM 4911 N N . PHE A 1 341 ? 1.335 8.591 2.228 1.00 8.84 ? 341 PHE A N 1 ATOM 4912 C CA . PHE A 1 341 ? 1.885 8.021 1.004 1.00 8.34 ? 341 PHE A CA 1 ATOM 4913 C C . PHE A 1 341 ? 1.055 6.844 0.574 1.00 8.74 ? 341 PHE A C 1 ATOM 4914 O O . PHE A 1 341 ? 0.367 6.213 1.367 1.00 10.02 ? 341 PHE A O 1 ATOM 4915 C CB . PHE A 1 341 ? 3.287 7.522 1.295 1.00 8.91 ? 341 PHE A CB 1 ATOM 4916 C CG . PHE A 1 341 ? 4.283 8.631 1.449 1.00 8.42 ? 341 PHE A CG 1 ATOM 4917 C CD1 . PHE A 1 341 ? 4.570 9.166 2.705 1.00 9.47 ? 341 PHE A CD1 1 ATOM 4918 C CD2 . PHE A 1 341 ? 4.895 9.157 0.336 1.00 8.75 ? 341 PHE A CD2 1 ATOM 4919 C CE1 . PHE A 1 341 ? 5.478 10.198 2.821 1.00 9.70 ? 341 PHE A CE1 1 ATOM 4920 C CE2 . PHE A 1 341 ? 5.812 10.191 0.467 1.00 8.96 ? 341 PHE A CE2 1 ATOM 4921 C CZ . PHE A 1 341 ? 6.080 10.715 1.698 1.00 9.58 ? 341 PHE A CZ 1 ATOM 4922 H H . PHE A 1 341 ? 1.696 8.190 3.082 1.00 25.85 ? 341 PHE A H 1 ATOM 4923 H HA . PHE A 1 341 ? 1.921 8.688 0.289 1.00 9.26 ? 341 PHE A HA 1 ATOM 4924 H HB2 . PHE A 1 341 ? 3.283 7.002 2.113 1.00 25.54 ? 341 PHE A HB2 1 ATOM 4925 H HB3 . PHE A 1 341 ? 3.576 6.967 0.556 1.00 25.53 ? 341 PHE A HB3 1 ATOM 4926 H HD1 . PHE A 1 341 ? 4.154 8.824 3.462 1.00 12.47 ? 341 PHE A HD1 1 ATOM 4927 H HD2 . PHE A 1 341 ? 4.706 8.809 -0.505 1.00 12.47 ? 341 PHE A HD2 1 ATOM 4928 H HE1 . PHE A 1 341 ? 5.672 10.553 3.658 1.00 12.47 ? 341 PHE A HE1 1 ATOM 4929 H HE2 . PHE A 1 341 ? 6.225 10.543 -0.288 1.00 12.47 ? 341 PHE A HE2 1 ATOM 4930 H HZ . PHE A 1 341 ? 6.700 11.403 1.782 1.00 12.47 ? 341 PHE A HZ 1 ATOM 4931 N N . SER A 1 342 ? 1.200 6.518 -0.710 1.00 9.18 ? 342 SER A N 1 ATOM 4932 C CA . SER A 1 342 ? 0.507 5.346 -1.238 1.00 9.74 ? 342 SER A CA 1 ATOM 4933 C C . SER A 1 342 ? 1.365 4.767 -2.361 1.00 9.18 ? 342 SER A C 1 ATOM 4934 O O . SER A 1 342 ? 2.142 5.437 -3.012 1.00 9.76 ? 342 SER A O 1 ATOM 4935 C CB . SER A 1 342 ? -0.877 5.700 -1.757 1.00 11.03 ? 342 SER A CB 1 ATOM 4936 O OG . SER A 1 342 ? -0.816 6.665 -2.776 1.00 11.92 ? 342 SER A OG 1 ATOM 4937 H H . SER A 1 342 ? 1.761 7.025 -1.380 1.00 9.26 ? 342 SER A H 1 ATOM 4938 H HA . SER A 1 342 ? 0.416 4.669 -0.537 1.00 10.18 ? 342 SER A HA 1 ATOM 4939 H HB2 . SER A 1 342 ? -1.294 4.898 -2.109 1.00 10.86 ? 342 SER A HB2 1 ATOM 4940 H HB3 . SER A 1 342 ? -1.406 6.051 -1.023 1.00 10.86 ? 342 SER A HB3 1 ATOM 4941 N N . ILE A 1 343 ? 1.110 3.491 -2.553 1.00 9.53 ? 343 ILE A N 1 ATOM 4942 C CA . ILE A 1 343 ? 1.699 2.755 -3.661 1.00 9.12 ? 343 ILE A CA 1 ATOM 4943 C C . ILE A 1 343 ? 0.552 2.081 -4.386 1.00 10.55 ? 343 ILE A C 1 ATOM 4944 O O . ILE A 1 343 ? -0.247 1.363 -3.783 1.00 11.17 ? 343 ILE A O 1 ATOM 4945 C CB . ILE A 1 343 ? 2.718 1.729 -3.166 1.00 9.62 ? 343 ILE A CB 1 ATOM 4946 C CG1 . ILE A 1 343 ? 3.816 2.451 -2.379 1.00 9.71 ? 343 ILE A CG1 1 ATOM 4947 C CG2 . ILE A 1 343 ? 3.251 0.960 -4.367 1.00 10.42 ? 343 ILE A CG2 1 ATOM 4948 C CD1 . ILE A 1 343 ? 5.030 1.612 -2.084 1.00 10.00 ? 343 ILE A CD1 1 ATOM 4949 H H . ILE A 1 343 ? 0.506 2.930 -1.968 1.00 10.18 ? 343 ILE A H 1 ATOM 4950 H HA . ILE A 1 343 ? 2.157 3.364 -4.274 1.00 10.98 ? 343 ILE A HA 1 ATOM 4951 H HB . ILE A 1 343 ? 2.265 1.112 -2.572 1.00 9.72 ? 343 ILE A HB 1 ATOM 4952 H HG12 . ILE A 1 343 ? 4.109 3.222 -2.889 1.00 10.98 ? 343 ILE A HG12 1 ATOM 4953 H HG13 . ILE A 1 343 ? 3.451 2.741 -1.528 1.00 10.98 ? 343 ILE A HG13 1 ATOM 4954 H HG21 . ILE A 1 343 ? 2.558 0.396 -4.717 1.00 10.97 ? 343 ILE A HG21 1 ATOM 4955 H HG22 . ILE A 1 343 ? 3.993 0.415 -4.099 1.00 10.97 ? 343 ILE A HG22 1 ATOM 4956 H HG23 . ILE A 1 343 ? 3.533 1.586 -5.038 1.00 10.97 ? 343 ILE A HG23 1 ATOM 4957 H HD11 . ILE A 1 343 ? 4.751 0.714 -1.893 1.00 10.97 ? 343 ILE A HD11 1 ATOM 4958 H HD12 . ILE A 1 343 ? 5.486 1.981 -1.324 1.00 10.97 ? 343 ILE A HD12 1 ATOM 4959 H HD13 . ILE A 1 343 ? 5.610 1.621 -2.849 1.00 10.97 ? 343 ILE A HD13 1 ATOM 4960 N N . ASP A 1 344 ? 0.407 2.458 -5.656 1.00 11.49 ? 344 ASP A N 1 ATOM 4961 C CA . ASP A 1 344 ? -0.705 2.026 -6.494 1.00 12.66 ? 344 ASP A CA 1 ATOM 4962 C C . ASP A 1 344 ? -2.037 2.256 -5.805 1.00 12.92 ? 344 ASP A C 1 ATOM 4963 O O . ASP A 1 344 ? -2.973 1.466 -5.853 1.00 15.28 ? 344 ASP A O 1 ATOM 4964 C CB . ASP A 1 344 ? -0.534 0.588 -6.920 1.00 14.40 ? 344 ASP A CB 1 ATOM 4965 C CG . ASP A 1 344 ? 0.709 0.396 -7.818 1.00 15.24 ? 344 ASP A CG 1 ATOM 4966 O OD1 . ASP A 1 344 ? 1.015 1.319 -8.548 1.00 16.41 ? 344 ASP A OD1 1 ATOM 4967 O OD2 . ASP A 1 344 ? 1.163 -0.758 -7.799 1.00 21.29 ? 344 ASP A OD2 1 ATOM 4968 H H . ASP A 1 344 ? 1.050 3.066 -6.142 1.00 10.98 ? 344 ASP A H 1 ATOM 4969 H HA . ASP A 1 344 ? -0.706 2.576 -7.303 1.00 14.46 ? 344 ASP A HA 1 ATOM 4970 N N . GLY A 1 345 ? -2.117 3.412 -5.167 1.00 12.22 ? 345 GLY A N 1 ATOM 4971 C CA . GLY A 1 345 ? -3.360 3.866 -4.593 1.00 13.57 ? 345 GLY A CA 1 ATOM 4972 C C . GLY A 1 345 ? -3.628 3.383 -3.201 1.00 12.00 ? 345 GLY A C 1 ATOM 4973 O O . GLY A 1 345 ? -4.674 3.734 -2.688 1.00 15.50 ? 345 GLY A O 1 ATOM 4974 H H . GLY A 1 345 ? -1.354 4.061 -5.040 1.00 12.40 ? 345 GLY A H 1 ATOM 4975 H HA2 . GLY A 1 345 ? -3.351 4.835 -4.569 1.00 12.88 ? 345 GLY A HA2 1 ATOM 4976 H HA3 . GLY A 1 345 ? -4.102 3.593 -5.155 1.00 12.88 ? 345 GLY A HA3 1 ATOM 4977 N N . VAL A 1 346 ? -2.754 2.601 -2.604 1.00 10.81 ? 346 VAL A N 1 ATOM 4978 C CA . VAL A 1 346 ? -2.993 2.036 -1.284 1.00 10.70 ? 346 VAL A CA 1 ATOM 4979 C C . VAL A 1 346 ? -1.938 2.516 -0.334 1.00 9.63 ? 346 VAL A C 1 ATOM 4980 O O . VAL A 1 346 ? -0.742 2.354 -0.585 1.00 10.50 ? 346 VAL A O 1 ATOM 4981 C CB . VAL A 1 346 ? -3.023 0.521 -1.343 1.00 12.75 ? 346 VAL A CB 1 ATOM 4982 C CG1 . VAL A 1 346 ? -3.333 -0.042 0.032 1.00 14.01 ? 346 VAL A CG1 1 ATOM 4983 C CG2 . VAL A 1 346 ? -4.034 0.054 -2.384 1.00 13.71 ? 346 VAL A CG2 1 ATOM 4984 H H . VAL A 1 346 ? -1.862 2.333 -2.989 1.00 11.06 ? 346 VAL A H 1 ATOM 4985 H HA . VAL A 1 346 ? -3.864 2.331 -0.953 1.00 12.80 ? 346 VAL A HA 1 ATOM 4986 H HB . VAL A 1 346 ? -2.139 0.194 -1.612 1.00 12.42 ? 346 VAL A HB 1 ATOM 4987 H HG11 . VAL A 1 346 ? -2.552 0.023 0.584 1.00 12.80 ? 346 VAL A HG11 1 ATOM 4988 H HG12 . VAL A 1 346 ? -3.588 -0.963 -0.056 1.00 12.80 ? 346 VAL A HG12 1 ATOM 4989 H HG13 . VAL A 1 346 ? -4.053 0.458 0.423 1.00 12.80 ? 346 VAL A HG13 1 ATOM 4990 H HG21 . VAL A 1 346 ? -4.842 0.562 -2.284 1.00 12.80 ? 346 VAL A HG21 1 ATOM 4991 H HG22 . VAL A 1 346 ? -4.216 -0.879 -2.252 1.00 12.80 ? 346 VAL A HG22 1 ATOM 4992 H HG23 . VAL A 1 346 ? -3.667 0.192 -3.260 1.00 12.80 ? 346 VAL A HG23 1 ATOM 4993 N N . SER A 1 347 ? -2.339 3.122 0.764 1.00 9.56 ? 347 SER A N 1 ATOM 4994 C CA . SER A 1 347 ? -1.454 3.558 1.790 1.00 9.47 ? 347 SER A CA 1 ATOM 4995 C C . SER A 1 347 ? -1.242 2.413 2.749 1.00 9.31 ? 347 SER A C 1 ATOM 4996 O O . SER A 1 347 ? -2.212 1.821 3.200 1.00 10.82 ? 347 SER A O 1 ATOM 4997 C CB . SER A 1 347 ? -2.064 4.734 2.514 1.00 10.29 ? 347 SER A CB 1 ATOM 4998 O OG . SER A 1 347 ? -1.111 5.330 3.402 1.00 10.19 ? 347 SER A OG 1 ATOM 4999 H H . SER A 1 347 ? -3.308 3.320 0.967 1.00 12.80 ? 347 SER A H 1 ATOM 5000 H HA . SER A 1 347 ? -0.592 3.829 1.414 1.00 10.18 ? 347 SER A HA 1 ATOM 5001 H HB2 . SER A 1 347 ? -2.341 5.395 1.862 1.00 12.80 ? 347 SER A HB2 1 ATOM 5002 H HB3 . SER A 1 347 ? -2.830 4.433 3.027 1.00 12.80 ? 347 SER A HB3 1 ATOM 5003 N N . PHE A 1 348 ? 0.013 2.073 3.046 1.00 9.00 ? 348 PHE A N 1 ATOM 5004 C CA . PHE A 1 348 ? 0.277 0.953 3.890 1.00 8.61 ? 348 PHE A CA 1 ATOM 5005 C C . PHE A 1 348 ? -0.076 1.217 5.329 1.00 9.34 ? 348 PHE A C 1 ATOM 5006 O O . PHE A 1 348 ? 0.444 2.155 5.921 1.00 10.40 ? 348 PHE A O 1 ATOM 5007 C CB . PHE A 1 348 ? 1.711 0.533 3.800 1.00 8.89 ? 348 PHE A CB 1 ATOM 5008 C CG . PHE A 1 348 ? 1.976 -0.801 4.436 1.00 8.95 ? 348 PHE A CG 1 ATOM 5009 C CD1 . PHE A 1 348 ? 2.424 -0.917 5.737 1.00 10.44 ? 348 PHE A CD1 1 ATOM 5010 C CD2 . PHE A 1 348 ? 1.742 -1.937 3.738 1.00 10.37 ? 348 PHE A CD2 1 ATOM 5011 C CE1 . PHE A 1 348 ? 2.585 -2.160 6.288 1.00 11.54 ? 348 PHE A CE1 1 ATOM 5012 C CE2 . PHE A 1 348 ? 1.883 -3.167 4.292 1.00 11.84 ? 348 PHE A CE2 1 ATOM 5013 C CZ . PHE A 1 348 ? 2.320 -3.270 5.540 1.00 12.47 ? 348 PHE A CZ 1 ATOM 5014 H H . PHE A 1 348 ? 0.833 2.551 2.707 1.00 10.18 ? 348 PHE A H 1 ATOM 5015 H HA . PHE A 1 348 ? -0.258 0.194 3.577 1.00 9.13 ? 348 PHE A HA 1 ATOM 5016 H HB2 . PHE A 1 348 ? 1.956 0.471 2.866 1.00 10.18 ? 348 PHE A HB2 1 ATOM 5017 H HB3 . PHE A 1 348 ? 2.267 1.192 4.242 1.00 10.18 ? 348 PHE A HB3 1 ATOM 5018 H HD1 . PHE A 1 348 ? 2.583 -0.157 6.244 1.00 10.18 ? 348 PHE A HD1 1 ATOM 5019 H HD2 . PHE A 1 348 ? 1.415 -1.867 2.872 1.00 10.18 ? 348 PHE A HD2 1 ATOM 5020 H HE1 . PHE A 1 348 ? 2.893 -2.247 7.162 1.00 10.18 ? 348 PHE A HE1 1 ATOM 5021 H HE2 . PHE A 1 348 ? 1.723 -3.931 3.786 1.00 10.18 ? 348 PHE A HE2 1 ATOM 5022 H HZ . PHE A 1 348 ? 2.455 -4.113 5.909 1.00 10.18 ? 348 PHE A HZ 1 ATOM 5023 N N . VAL A 1 349 ? -0.918 0.384 5.899 1.00 9.17 ? 349 VAL A N 1 ATOM 5024 C CA . VAL A 1 349 ? -1.159 0.418 7.331 1.00 9.61 ? 349 VAL A CA 1 ATOM 5025 C C . VAL A 1 349 ? -0.960 -1.012 7.803 1.00 9.46 ? 349 VAL A C 1 ATOM 5026 O O . VAL A 1 349 ? -1.545 -1.931 7.245 1.00 10.41 ? 349 VAL A O 1 ATOM 5027 C CB . VAL A 1 349 ? -2.594 0.882 7.658 1.00 10.90 ? 349 VAL A CB 1 ATOM 5028 C CG1 . VAL A 1 349 ? -2.837 0.804 9.137 1.00 13.14 ? 349 VAL A CG1 1 ATOM 5029 C CG2 . VAL A 1 349 ? -2.801 2.287 7.112 1.00 12.94 ? 349 VAL A CG2 1 ATOM 5030 H H . VAL A 1 349 ? -1.452 -0.320 5.408 1.00 9.13 ? 349 VAL A H 1 ATOM 5031 H HA . VAL A 1 349 ? -0.529 1.017 7.778 1.00 22.98 ? 349 VAL A HA 1 ATOM 5032 H HB . VAL A 1 349 ? -3.231 0.285 7.216 1.00 10.86 ? 349 VAL A HB 1 ATOM 5033 H HG11 . VAL A 1 349 ? -3.115 -0.087 9.363 1.00 23.37 ? 349 VAL A HG11 1 ATOM 5034 H HG12 . VAL A 1 349 ? -3.528 1.426 9.377 1.00 23.38 ? 349 VAL A HG12 1 ATOM 5035 H HG13 . VAL A 1 349 ? -2.028 1.023 9.605 1.00 23.37 ? 349 VAL A HG13 1 ATOM 5036 H HG21 . VAL A 1 349 ? -2.105 2.858 7.446 1.00 24.35 ? 349 VAL A HG21 1 ATOM 5037 H HG22 . VAL A 1 349 ? -3.657 2.613 7.400 1.00 24.34 ? 349 VAL A HG22 1 ATOM 5038 H HG23 . VAL A 1 349 ? -2.771 2.260 6.153 1.00 24.35 ? 349 VAL A HG23 1 ATOM 5039 N N . PRO A 1 350 ? -0.112 -1.253 8.798 1.00 9.87 ? 350 PRO A N 1 ATOM 5040 C CA . PRO A 1 350 ? 0.227 -2.644 9.112 1.00 9.95 ? 350 PRO A CA 1 ATOM 5041 C C . PRO A 1 350 ? -1.038 -3.442 9.478 1.00 10.11 ? 350 PRO A C 1 ATOM 5042 O O . PRO A 1 350 ? -1.922 -2.945 10.149 1.00 11.63 ? 350 PRO A O 1 ATOM 5043 C CB . PRO A 1 350 ? 1.168 -2.501 10.285 1.00 11.78 ? 350 PRO A CB 1 ATOM 5044 C CG . PRO A 1 350 ? 1.775 -1.141 10.146 1.00 17.05 ? 350 PRO A CG 1 ATOM 5045 C CD . PRO A 1 350 ? 0.689 -0.293 9.579 1.00 11.75 ? 350 PRO A CD 1 ATOM 5046 H HA . PRO A 1 350 ? 0.698 -3.052 8.357 1.00 10.21 ? 350 PRO A HA 1 ATOM 5047 H HB2 . PRO A 1 350 ? 0.675 -2.571 11.117 1.00 10.60 ? 350 PRO A HB2 1 ATOM 5048 H HB3 . PRO A 1 350 ? 1.854 -3.183 10.234 1.00 10.60 ? 350 PRO A HB3 1 ATOM 5049 H HG2 . PRO A 1 350 ? 2.046 -0.814 11.018 1.00 14.61 ? 350 PRO A HG2 1 ATOM 5050 H HG3 . PRO A 1 350 ? 2.532 -1.180 9.542 1.00 14.61 ? 350 PRO A HG3 1 ATOM 5051 H HD2 . PRO A 1 350 ? 0.156 0.098 10.288 1.00 22.60 ? 350 PRO A HD2 1 ATOM 5052 H HD3 . PRO A 1 350 ? 1.076 0.387 9.006 1.00 22.60 ? 350 PRO A HD3 1 ATOM 5053 N N . PRO A 1 351 ? -1.057 -4.720 9.077 1.00 10.07 ? 351 PRO A N 1 ATOM 5054 C CA . PRO A 1 351 ? -2.178 -5.590 9.393 1.00 10.00 ? 351 PRO A CA 1 ATOM 5055 C C . PRO A 1 351 ? -2.099 -6.089 10.788 1.00 10.12 ? 351 PRO A C 1 ATOM 5056 O O . PRO A 1 351 ? -1.055 -6.038 11.420 1.00 11.32 ? 351 PRO A O 1 ATOM 5057 C CB . PRO A 1 351 ? -2.032 -6.724 8.365 1.00 10.68 ? 351 PRO A CB 1 ATOM 5058 C CG . PRO A 1 351 ? -0.524 -6.842 8.258 1.00 9.80 ? 351 PRO A CG 1 ATOM 5059 C CD . PRO A 1 351 ? -0.032 -5.428 8.308 1.00 9.41 ? 351 PRO A CD 1 ATOM 5060 H HA . PRO A 1 351 ? -3.032 -5.129 9.252 1.00 11.58 ? 351 PRO A HA 1 ATOM 5061 H HB2 . PRO A 1 351 ? -2.429 -7.543 8.702 1.00 10.48 ? 351 PRO A HB2 1 ATOM 5062 H HB3 . PRO A 1 351 ? -2.426 -6.463 7.518 1.00 10.48 ? 351 PRO A HB3 1 ATOM 5063 H HG2 . PRO A 1 351 ? -0.179 -7.355 9.006 1.00 10.10 ? 351 PRO A HG2 1 ATOM 5064 H HG3 . PRO A 1 351 ? -0.286 -7.260 7.415 1.00 10.10 ? 351 PRO A HG3 1 ATOM 5065 H HD2 . PRO A 1 351 ? 0.822 -5.389 8.768 1.00 10.21 ? 351 PRO A HD2 1 ATOM 5066 H HD3 . PRO A 1 351 ? 0.031 -5.062 7.413 1.00 10.21 ? 351 PRO A HD3 1 ATOM 5067 N N . THR A 1 352 ? -3.206 -6.613 11.279 1.00 11.13 ? 352 THR A N 1 ATOM 5068 C CA . THR A 1 352 ? -3.240 -7.201 12.607 1.00 12.14 ? 352 THR A CA 1 ATOM 5069 C C . THR A 1 352 ? -2.476 -8.494 12.694 1.00 11.12 ? 352 THR A C 1 ATOM 5070 O O . THR A 1 352 ? -1.810 -8.769 13.679 1.00 13.71 ? 352 THR A O 1 ATOM 5071 C CB . THR A 1 352 ? -4.706 -7.425 12.976 1.00 15.39 ? 352 THR A CB 1 ATOM 5072 O OG1 . THR A 1 352 ? -5.340 -6.155 12.985 1.00 19.27 ? 352 THR A OG1 1 ATOM 5073 C CG2 . THR A 1 352 ? -4.786 -8.110 14.313 1.00 18.31 ? 352 THR A CG2 1 ATOM 5074 H H . THR A 1 352 ? -4.084 -6.644 10.781 1.00 11.58 ? 352 THR A H 1 ATOM 5075 H HA . THR A 1 352 ? -2.857 -6.572 13.253 1.00 16.70 ? 352 THR A HA 1 ATOM 5076 H HB . THR A 1 352 ? -5.127 -7.996 12.314 1.00 11.58 ? 352 THR A HB 1 ATOM 5077 H HG21 . THR A 1 352 ? -4.717 -9.062 14.205 1.00 16.70 ? 352 THR A HG21 1 ATOM 5078 H HG22 . THR A 1 352 ? -5.629 -7.910 14.727 1.00 16.70 ? 352 THR A HG22 1 ATOM 5079 H HG23 . THR A 1 352 ? -4.082 -7.806 14.891 1.00 16.70 ? 352 THR A HG23 1 ATOM 5080 N N . VAL A 1 353 ? -2.572 -9.319 11.668 1.00 10.89 ? 353 VAL A N 1 ATOM 5081 C CA . VAL A 1 353 ? -1.897 -10.567 11.599 1.00 10.87 ? 353 VAL A CA 1 ATOM 5082 C C . VAL A 1 353 ? -0.717 -10.414 10.679 1.00 9.79 ? 353 VAL A C 1 ATOM 5083 O O . VAL A 1 353 ? -0.879 -9.963 9.553 1.00 9.97 ? 353 VAL A O 1 ATOM 5084 C CB . VAL A 1 353 ? -2.832 -11.672 11.087 1.00 11.65 ? 353 VAL A CB 1 ATOM 5085 C CG1 . VAL A 1 353 ? -2.073 -12.969 11.067 1.00 12.33 ? 353 VAL A CG1 1 ATOM 5086 C CG2 . VAL A 1 353 ? -4.067 -11.739 11.955 1.00 13.67 ? 353 VAL A CG2 1 ATOM 5087 H H . VAL A 1 353 ? -3.135 -9.134 10.850 1.00 11.32 ? 353 VAL A H 1 ATOM 5088 H HA . VAL A 1 353 ? -1.593 -10.831 12.490 1.00 12.67 ? 353 VAL A HA 1 ATOM 5089 H HB . VAL A 1 353 ? -3.110 -11.463 10.170 1.00 11.69 ? 353 VAL A HB 1 ATOM 5090 H HG11 . VAL A 1 353 ? -1.493 -12.989 10.303 1.00 12.65 ? 353 VAL A HG11 1 ATOM 5091 H HG12 . VAL A 1 353 ? -2.697 -13.696 11.012 1.00 12.65 ? 353 VAL A HG12 1 ATOM 5092 H HG13 . VAL A 1 353 ? -1.556 -13.049 11.872 1.00 12.65 ? 353 VAL A HG13 1 ATOM 5093 H HG21 . VAL A 1 353 ? -3.804 -11.703 12.878 1.00 12.65 ? 353 VAL A HG21 1 ATOM 5094 H HG22 . VAL A 1 353 ? -4.532 -12.560 11.780 1.00 12.65 ? 353 VAL A HG22 1 ATOM 5095 H HG23 . VAL A 1 353 ? -4.637 -10.994 11.748 1.00 12.65 ? 353 VAL A HG23 1 ATOM 5096 N N . PRO A 1 354 ? 0.487 -10.747 11.114 1.00 9.63 ? 354 PRO A N 1 ATOM 5097 C CA . PRO A 1 354 ? 1.622 -10.579 10.200 1.00 9.44 ? 354 PRO A CA 1 ATOM 5098 C C . PRO A 1 354 ? 1.426 -11.299 8.910 1.00 8.65 ? 354 PRO A C 1 ATOM 5099 O O . PRO A 1 354 ? 0.871 -12.404 8.859 1.00 9.86 ? 354 PRO A O 1 ATOM 5100 C CB . PRO A 1 354 ? 2.799 -11.166 10.996 1.00 10.59 ? 354 PRO A CB 1 ATOM 5101 C CG . PRO A 1 354 ? 2.377 -11.013 12.424 1.00 10.83 ? 354 PRO A CG 1 ATOM 5102 C CD . PRO A 1 354 ? 0.913 -11.261 12.417 1.00 10.91 ? 354 PRO A CD 1 ATOM 5103 H HA . PRO A 1 354 ? 1.774 -9.630 10.038 1.00 9.38 ? 354 PRO A HA 1 ATOM 5104 H HB2 . PRO A 1 354 ? 2.923 -12.102 10.773 1.00 10.41 ? 354 PRO A HB2 1 ATOM 5105 H HB3 . PRO A 1 354 ? 3.605 -10.656 10.818 1.00 10.41 ? 354 PRO A HB3 1 ATOM 5106 H HG2 . PRO A 1 354 ? 2.840 -11.669 12.966 1.00 10.76 ? 354 PRO A HG2 1 ATOM 5107 H HG3 . PRO A 1 354 ? 2.572 -10.113 12.730 1.00 10.76 ? 354 PRO A HG3 1 ATOM 5108 H HD2 . PRO A 1 354 ? 0.730 -12.211 12.483 1.00 12.68 ? 354 PRO A HD2 1 ATOM 5109 H HD3 . PRO A 1 354 ? 0.494 -10.765 13.136 1.00 12.68 ? 354 PRO A HD3 1 ATOM 5110 N N . VAL A 1 355 ? 1.880 -10.694 7.836 1.00 8.63 ? 355 VAL A N 1 ATOM 5111 C CA . VAL A 1 355 ? 1.707 -11.297 6.526 1.00 8.82 ? 355 VAL A CA 1 ATOM 5112 C C . VAL A 1 355 ? 2.224 -12.726 6.506 1.00 8.73 ? 355 VAL A C 1 ATOM 5113 O O . VAL A 1 355 ? 1.576 -13.600 5.963 1.00 9.33 ? 355 VAL A O 1 ATOM 5114 C CB . VAL A 1 355 ? 2.333 -10.444 5.438 1.00 8.81 ? 355 VAL A CB 1 ATOM 5115 C CG1 . VAL A 1 355 ? 2.147 -11.079 4.082 1.00 9.51 ? 355 VAL A CG1 1 ATOM 5116 C CG2 . VAL A 1 355 ? 1.772 -9.039 5.431 1.00 9.13 ? 355 VAL A CG2 1 ATOM 5117 H H . VAL A 1 355 ? 2.376 -9.815 7.846 1.00 9.38 ? 355 VAL A H 1 ATOM 5118 H HA . VAL A 1 355 ? 0.746 -11.339 6.339 1.00 9.43 ? 355 VAL A HA 1 ATOM 5119 H HB . VAL A 1 355 ? 3.296 -10.379 5.606 1.00 9.09 ? 355 VAL A HB 1 ATOM 5120 H HG11 . VAL A 1 355 ? 2.768 -11.804 3.985 1.00 9.44 ? 355 VAL A HG11 1 ATOM 5121 H HG12 . VAL A 1 355 ? 2.311 -10.428 3.396 1.00 9.44 ? 355 VAL A HG12 1 ATOM 5122 H HG13 . VAL A 1 355 ? 1.248 -11.408 4.010 1.00 9.44 ? 355 VAL A HG13 1 ATOM 5123 H HG21 . VAL A 1 355 ? 0.849 -9.067 5.693 1.00 9.43 ? 355 VAL A HG21 1 ATOM 5124 H HG22 . VAL A 1 355 ? 1.847 -8.664 4.550 1.00 9.43 ? 355 VAL A HG22 1 ATOM 5125 H HG23 . VAL A 1 355 ? 2.271 -8.500 6.049 1.00 9.43 ? 355 VAL A HG23 1 ATOM 5126 N N . LEU A 1 356 ? 3.401 -12.970 7.066 1.00 8.90 ? 356 LEU A N 1 ATOM 5127 C CA . LEU A 1 356 ? 3.932 -14.318 7.051 1.00 8.70 ? 356 LEU A CA 1 ATOM 5128 C C . LEU A 1 356 ? 2.941 -15.277 7.722 1.00 9.30 ? 356 LEU A C 1 ATOM 5129 O O . LEU A 1 356 ? 2.697 -16.362 7.222 1.00 10.53 ? 356 LEU A O 1 ATOM 5130 C CB . LEU A 1 356 ? 5.273 -14.407 7.741 1.00 8.86 ? 356 LEU A CB 1 ATOM 5131 C CG . LEU A 1 356 ? 5.851 -15.813 7.835 1.00 9.01 ? 356 LEU A CG 1 ATOM 5132 C CD1 . LEU A 1 356 ? 6.063 -16.434 6.479 1.00 10.26 ? 356 LEU A CD1 1 ATOM 5133 C CD2 . LEU A 1 356 ? 7.143 -15.779 8.621 1.00 9.77 ? 356 LEU A CD2 1 ATOM 5134 H H . LEU A 1 356 ? 3.988 -12.282 7.517 1.00 9.11 ? 356 LEU A H 1 ATOM 5135 H HA . LEU A 1 356 ? 4.047 -14.602 6.120 1.00 10.24 ? 356 LEU A HA 1 ATOM 5136 H HB2 . LEU A 1 356 ? 5.909 -13.861 7.254 1.00 10.20 ? 356 LEU A HB2 1 ATOM 5137 H HB3 . LEU A 1 356 ? 5.176 -14.067 8.644 1.00 10.20 ? 356 LEU A HB3 1 ATOM 5138 H HG . LEU A 1 356 ? 5.237 -16.381 8.325 1.00 9.37 ? 356 LEU A HG 1 ATOM 5139 H HD11 . LEU A 1 356 ? 5.213 -16.706 6.124 1.00 10.24 ? 356 LEU A HD11 1 ATOM 5140 H HD12 . LEU A 1 356 ? 6.638 -17.197 6.570 1.00 10.24 ? 356 LEU A HD12 1 ATOM 5141 H HD13 . LEU A 1 356 ? 6.468 -15.785 5.899 1.00 10.24 ? 356 LEU A HD13 1 ATOM 5142 H HD21 . LEU A 1 356 ? 7.831 -15.388 8.082 1.00 10.20 ? 356 LEU A HD21 1 ATOM 5143 H HD22 . LEU A 1 356 ? 7.386 -16.678 8.855 1.00 10.20 ? 356 LEU A HD22 1 ATOM 5144 H HD23 . LEU A 1 356 ? 7.016 -15.259 9.417 1.00 10.20 ? 356 LEU A HD23 1 ATOM 5145 N N . LEU A 1 357 ? 2.407 -14.899 8.870 1.00 9.50 ? 357 LEU A N 1 ATOM 5146 C CA . LEU A 1 357 ? 1.483 -15.784 9.546 1.00 10.50 ? 357 LEU A CA 1 ATOM 5147 C C . LEU A 1 357 ? 0.229 -15.986 8.755 1.00 11.14 ? 357 LEU A C 1 ATOM 5148 O O . LEU A 1 357 ? -0.307 -17.089 8.732 1.00 12.33 ? 357 LEU A O 1 ATOM 5149 C CB . LEU A 1 357 ? 1.204 -15.228 10.915 1.00 11.05 ? 357 LEU A CB 1 ATOM 5150 C CG . LEU A 1 357 ? 0.289 -16.068 11.795 1.00 13.28 ? 357 LEU A CG 1 ATOM 5151 C CD1 . LEU A 1 357 ? 0.821 -17.497 11.958 1.00 14.75 ? 357 LEU A CD1 1 ATOM 5152 C CD2 . LEU A 1 357 ? 0.137 -15.382 13.158 1.00 14.77 ? 357 LEU A CD2 1 ATOM 5153 H H . LEU A 1 357 ? 2.589 -14.022 9.337 1.00 12.70 ? 357 LEU A H 1 ATOM 5154 H HA . LEU A 1 357 ? 1.912 -16.658 9.659 1.00 14.13 ? 357 LEU A HA 1 ATOM 5155 H HB2 . LEU A 1 357 ? 2.047 -15.129 11.384 1.00 12.70 ? 357 LEU A HB2 1 ATOM 5156 H HB3 . LEU A 1 357 ? 0.787 -14.359 10.810 1.00 12.70 ? 357 LEU A HB3 1 ATOM 5157 H HG . LEU A 1 357 ? -0.591 -16.118 11.392 1.00 13.09 ? 357 LEU A HG 1 ATOM 5158 H HD11 . LEU A 1 357 ? 0.614 -17.999 11.167 1.00 14.13 ? 357 LEU A HD11 1 ATOM 5159 H HD12 . LEU A 1 357 ? 0.402 -17.902 12.721 1.00 14.13 ? 357 LEU A HD12 1 ATOM 5160 H HD13 . LEU A 1 357 ? 1.772 -17.464 12.086 1.00 14.13 ? 357 LEU A HD13 1 ATOM 5161 H HD21 . LEU A 1 357 ? 0.778 -15.758 13.764 1.00 12.69 ? 357 LEU A HD21 1 ATOM 5162 H HD22 . LEU A 1 357 ? -0.751 -15.541 13.486 1.00 12.69 ? 357 LEU A HD22 1 ATOM 5163 H HD23 . LEU A 1 357 ? 0.282 -14.439 13.060 1.00 12.69 ? 357 LEU A HD23 1 ATOM 5164 N N . GLN A 1 358 ? -0.246 -14.947 8.069 1.00 10.22 ? 358 GLN A N 1 ATOM 5165 C CA . GLN A 1 358 ? -1.392 -15.139 7.189 1.00 10.57 ? 358 GLN A CA 1 ATOM 5166 C C . GLN A 1 358 ? -1.123 -16.204 6.153 1.00 10.71 ? 358 GLN A C 1 ATOM 5167 O O . GLN A 1 358 ? -1.991 -17.039 5.882 1.00 12.12 ? 358 GLN A O 1 ATOM 5168 C CB . GLN A 1 358 ? -1.774 -13.852 6.500 1.00 10.70 ? 358 GLN A CB 1 ATOM 5169 C CG . GLN A 1 358 ? -2.249 -12.739 7.374 1.00 10.34 ? 358 GLN A CG 1 ATOM 5170 C CD . GLN A 1 358 ? -2.476 -11.523 6.557 1.00 10.41 ? 358 GLN A CD 1 ATOM 5171 O OE1 . GLN A 1 358 ? -3.159 -11.575 5.559 1.00 11.08 ? 358 GLN A OE1 1 ATOM 5172 N NE2 . GLN A 1 358 ? -1.840 -10.438 6.909 1.00 10.24 ? 358 GLN A NE2 1 ATOM 5173 H H . GLN A 1 358 ? 0.127 -14.009 8.100 1.00 12.65 ? 358 GLN A H 1 ATOM 5174 H HA . GLN A 1 358 ? -2.158 -15.429 7.727 1.00 10.82 ? 358 GLN A HA 1 ATOM 5175 H HB2 . GLN A 1 358 ? -1.004 -13.529 6.010 1.00 11.38 ? 358 GLN A HB2 1 ATOM 5176 H HB3 . GLN A 1 358 ? -2.490 -14.051 5.876 1.00 11.38 ? 358 GLN A HB3 1 ATOM 5177 H HG2 . GLN A 1 358 ? -3.088 -12.990 7.791 1.00 12.65 ? 358 GLN A HG2 1 ATOM 5178 H HG3 . GLN A 1 358 ? -1.582 -12.540 8.047 1.00 12.65 ? 358 GLN A HG3 1 ATOM 5179 H HE21 . GLN A 1 358 ? -1.452 -9.955 6.313 1.00 12.64 ? 358 GLN A HE21 1 ATOM 5180 H HE22 . GLN A 1 358 ? -1.810 -10.206 7.737 1.00 12.64 ? 358 GLN A HE22 1 ATOM 5181 N N . ILE A 1 359 ? 0.055 -16.198 5.563 1.00 10.57 ? 359 ILE A N 1 ATOM 5182 C CA . ILE A 1 359 ? 0.413 -17.193 4.538 1.00 10.66 ? 359 ILE A CA 1 ATOM 5183 C C . ILE A 1 359 ? 0.502 -18.565 5.184 1.00 12.70 ? 359 ILE A C 1 ATOM 5184 O O . ILE A 1 359 ? -0.023 -19.523 4.663 1.00 14.35 ? 359 ILE A O 1 ATOM 5185 C CB . ILE A 1 359 ? 1.716 -16.793 3.868 1.00 11.41 ? 359 ILE A CB 1 ATOM 5186 C CG1 . ILE A 1 359 ? 1.536 -15.482 3.085 1.00 11.00 ? 359 ILE A CG1 1 ATOM 5187 C CG2 . ILE A 1 359 ? 2.187 -17.908 2.971 1.00 13.02 ? 359 ILE A CG2 1 ATOM 5188 C CD1 . ILE A 1 359 ? 2.811 -14.888 2.580 1.00 11.96 ? 359 ILE A CD1 1 ATOM 5189 H H . ILE A 1 359 ? 0.783 -15.531 5.771 1.00 13.13 ? 359 ILE A H 1 ATOM 5190 H HA . ILE A 1 359 ? -0.286 -17.219 3.855 1.00 11.13 ? 359 ILE A HA 1 ATOM 5191 H HB . ILE A 1 359 ? 2.387 -16.653 4.555 1.00 13.03 ? 359 ILE A HB 1 ATOM 5192 H HG12 . ILE A 1 359 ? 0.972 -15.658 2.316 1.00 13.22 ? 359 ILE A HG12 1 ATOM 5193 H HG13 . ILE A 1 359 ? 1.114 -14.821 3.653 1.00 13.22 ? 359 ILE A HG13 1 ATOM 5194 H HG21 . ILE A 1 359 ? 2.636 -18.571 3.499 1.00 12.90 ? 359 ILE A HG21 1 ATOM 5195 H HG22 . ILE A 1 359 ? 2.795 -17.557 2.318 1.00 12.90 ? 359 ILE A HG22 1 ATOM 5196 H HG23 . ILE A 1 359 ? 1.430 -18.299 2.526 1.00 12.90 ? 359 ILE A HG23 1 ATOM 5197 H HD11 . ILE A 1 359 ? 3.518 -15.086 3.198 1.00 12.94 ? 359 ILE A HD11 1 ATOM 5198 H HD12 . ILE A 1 359 ? 2.702 -13.937 2.502 1.00 12.94 ? 359 ILE A HD12 1 ATOM 5199 H HD13 . ILE A 1 359 ? 3.012 -15.265 1.720 1.00 12.94 ? 359 ILE A HD13 1 ATOM 5200 N N . LEU A 1 360 ? 1.161 -18.653 6.330 1.00 12.43 ? 360 LEU A N 1 ATOM 5201 C CA . LEU A 1 360 ? 1.308 -19.956 6.957 1.00 13.35 ? 360 LEU A CA 1 ATOM 5202 C C . LEU A 1 360 ? -0.050 -20.501 7.366 1.00 15.31 ? 360 LEU A C 1 ATOM 5203 O O . LEU A 1 360 ? -0.202 -21.706 7.427 1.00 19.47 ? 360 LEU A O 1 ATOM 5204 C CB . LEU A 1 360 ? 2.278 -19.872 8.125 1.00 14.93 ? 360 LEU A CB 1 ATOM 5205 C CG . LEU A 1 360 ? 3.679 -19.382 7.779 1.00 18.81 ? 360 LEU A CG 1 ATOM 5206 C CD1 . LEU A 1 360 ? 4.549 -19.540 9.015 1.00 19.36 ? 360 LEU A CD1 1 ATOM 5207 C CD2 . LEU A 1 360 ? 4.251 -20.037 6.558 1.00 21.06 ? 360 LEU A CD2 1 ATOM 5208 H H . LEU A 1 360 ? 1.573 -17.877 6.828 1.00 14.38 ? 360 LEU A H 1 ATOM 5209 H HA . LEU A 1 360 ? 1.683 -20.583 6.304 1.00 17.43 ? 360 LEU A HA 1 ATOM 5210 H HB2 . LEU A 1 360 ? 1.912 -19.263 8.785 1.00 16.92 ? 360 LEU A HB2 1 ATOM 5211 H HB3 . LEU A 1 360 ? 2.365 -20.757 8.514 1.00 16.92 ? 360 LEU A HB3 1 ATOM 5212 H HG . LEU A 1 360 ? 3.638 -18.435 7.592 1.00 14.38 ? 360 LEU A HG 1 ATOM 5213 H HD11 . LEU A 1 360 ? 4.136 -19.080 9.749 1.00 16.92 ? 360 LEU A HD11 1 ATOM 5214 H HD12 . LEU A 1 360 ? 5.414 -19.163 8.838 1.00 16.92 ? 360 LEU A HD12 1 ATOM 5215 H HD13 . LEU A 1 360 ? 4.634 -20.474 9.220 1.00 16.92 ? 360 LEU A HD13 1 ATOM 5216 H HD21 . LEU A 1 360 ? 4.062 -20.976 6.597 1.00 17.42 ? 360 LEU A HD21 1 ATOM 5217 H HD22 . LEU A 1 360 ? 5.199 -19.892 6.544 1.00 17.42 ? 360 LEU A HD22 1 ATOM 5218 H HD23 . LEU A 1 360 ? 3.850 -19.651 5.775 1.00 17.42 ? 360 LEU A HD23 1 ATOM 5219 N N . SER A 1 361 ? -1.011 -19.640 7.644 1.00 15.98 ? 361 SER A N 1 ATOM 5220 C CA . SER A 1 361 ? -2.323 -20.041 8.065 1.00 17.71 ? 361 SER A CA 1 ATOM 5221 C C . SER A 1 361 ? -3.227 -20.354 6.895 1.00 23.02 ? 361 SER A C 1 ATOM 5222 O O . SER A 1 361 ? -4.368 -20.714 7.075 1.00 29.81 ? 361 SER A O 1 ATOM 5223 C CB . SER A 1 361 ? -2.927 -18.930 8.909 1.00 20.05 ? 361 SER A CB 1 ATOM 5224 O OG . SER A 1 361 ? -2.173 -18.713 10.085 1.00 25.58 ? 361 SER A OG 1 ATOM 5225 H H . SER A 1 361 ? -0.900 -18.639 7.599 1.00 17.89 ? 361 SER A H 1 ATOM 5226 H HA . SER A 1 361 ? -2.261 -20.842 8.626 1.00 17.31 ? 361 SER A HA 1 ATOM 5227 H HB2 . SER A 1 361 ? -2.951 -18.110 8.391 1.00 17.89 ? 361 SER A HB2 1 ATOM 5228 H HB3 . SER A 1 361 ? -3.828 -19.183 9.164 1.00 17.89 ? 361 SER A HB3 1 ATOM 5229 N N . GLY A 1 362 ? -2.717 -20.249 5.682 1.00 21.43 ? 362 GLY A N 1 ATOM 5230 C CA . GLY A 1 362 ? -3.447 -20.773 4.554 1.00 25.15 ? 362 GLY A CA 1 ATOM 5231 C C . GLY A 1 362 ? -3.818 -19.745 3.537 1.00 21.10 ? 362 GLY A C 1 ATOM 5232 O O . GLY A 1 362 ? -4.463 -20.111 2.569 1.00 29.12 ? 362 GLY A O 1 ATOM 5233 H H . GLY A 1 362 ? -1.837 -19.825 5.439 1.00 17.89 ? 362 GLY A H 1 ATOM 5234 H HA2 . GLY A 1 362 ? -2.896 -21.437 4.112 1.00 19.42 ? 362 GLY A HA2 1 ATOM 5235 H HA3 . GLY A 1 362 ? -4.262 -21.212 4.843 1.00 19.42 ? 362 GLY A HA3 1 ATOM 5236 N N . ALA A 1 363 ? -3.458 -18.484 3.735 1.00 18.63 ? 363 ALA A N 1 ATOM 5237 C CA . ALA A 1 363 ? -3.800 -17.492 2.719 1.00 17.31 ? 363 ALA A CA 1 ATOM 5238 C C . ALA A 1 363 ? -2.869 -17.754 1.615 1.00 18.96 ? 363 ALA A C 1 ATOM 5239 O O . ALA A 1 363 ? -1.671 -17.632 1.805 1.00 28.12 ? 363 ALA A O 1 ATOM 5240 C CB . ALA A 1 363 ? -3.585 -16.080 3.230 1.00 21.09 ? 363 ALA A CB 1 ATOM 5241 H H . ALA A 1 363 ? -2.962 -18.120 4.536 1.00 17.89 ? 363 ALA A H 1 ATOM 5242 H HB1 . ALA A 1 363 ? -4.194 -15.915 3.953 1.00 17.89 ? 363 ALA A HB1 1 ATOM 5243 H HB2 . ALA A 1 363 ? -3.752 -15.461 2.515 1.00 17.89 ? 363 ALA A HB2 1 ATOM 5244 H HB3 . ALA A 1 363 ? -2.680 -15.986 3.538 1.00 17.89 ? 363 ALA A HB3 1 ATOM 5245 N N . GLN A 1 364 ? -3.386 -18.025 0.454 1.00 18.90 ? 364 GLN A N 1 ATOM 5246 C CA . GLN A 1 364 ? -2.531 -18.526 -0.576 1.00 26.05 ? 364 GLN A CA 1 ATOM 5247 C C . GLN A 1 364 ? -2.500 -17.706 -1.865 1.00 19.33 ? 364 GLN A C 1 ATOM 5248 O O . GLN A 1 364 ? -1.924 -18.123 -2.861 1.00 23.35 ? 364 GLN A O 1 ATOM 5249 C CB . GLN A 1 364 ? -2.770 -20.018 -0.816 0.50 31.32 ? 364 GLN A CB 1 ATOM 5250 C CG . GLN A 1 364 ? -1.461 -20.770 -1.014 0.50 31.86 ? 364 GLN A CG 1 ATOM 5251 C CD . GLN A 1 364 ? -0.842 -21.286 0.275 0.50 31.60 ? 364 GLN A CD 1 ATOM 5252 O OE1 . GLN A 1 364 ? -1.113 -20.784 1.373 0.50 35.70 ? 364 GLN A OE1 1 ATOM 5253 N NE2 . GLN A 1 364 ? 0.028 -22.283 0.139 0.50 31.58 ? 364 GLN A NE2 1 ATOM 5254 N N . ASN A 1 365 ? -3.086 -16.523 -1.843 1.00 18.50 ? 365 ASN A N 1 ATOM 5255 C CA . ASN A 1 365 ? -2.869 -15.576 -2.927 1.00 18.01 ? 365 ASN A CA 1 ATOM 5256 C C . ASN A 1 365 ? -2.889 -14.184 -2.370 1.00 16.71 ? 365 ASN A C 1 ATOM 5257 O O . ASN A 1 365 ? -3.305 -13.932 -1.249 1.00 17.53 ? 365 ASN A O 1 ATOM 5258 C CB . ASN A 1 365 ? -3.913 -15.720 -4.003 1.00 25.78 ? 365 ASN A CB 1 ATOM 5259 C CG . ASN A 1 365 ? -5.275 -15.617 -3.445 1.00 37.94 ? 365 ASN A CG 1 ATOM 5260 O OD1 . ASN A 1 365 ? -5.706 -14.541 -3.035 1.00 40.40 ? 365 ASN A OD1 1 ATOM 5261 N ND2 . ASN A 1 365 ? -6.013 -16.762 -3.443 1.00 37.03 ? 365 ASN A ND2 1 ATOM 5262 H HA . ASN A 1 365 ? -1.988 -15.721 -3.332 1.00 17.97 ? 365 ASN A HA 1 ATOM 5263 H HB2 . ASN A 1 365 ? -3.800 -15.015 -4.660 1.00 36.55 ? 365 ASN A HB2 1 ATOM 5264 H HB3 . ASN A 1 365 ? -3.817 -16.588 -4.426 1.00 36.56 ? 365 ASN A HB3 1 ATOM 5265 N N . ALA A 1 366 ? -2.380 -13.266 -3.145 1.00 17.57 ? 366 ALA A N 1 ATOM 5266 C CA . ALA A 1 366 ? -2.233 -11.949 -2.628 1.00 17.60 ? 366 ALA A CA 1 ATOM 5267 C C . ALA A 1 366 ? -3.554 -11.254 -2.363 1.00 14.43 ? 366 ALA A C 1 ATOM 5268 O O . ALA A 1 366 ? -3.629 -10.407 -1.492 1.00 18.26 ? 366 ALA A O 1 ATOM 5269 C CB . ALA A 1 366 ? -1.386 -11.139 -3.570 1.00 27.00 ? 366 ALA A CB 1 ATOM 5270 H H . ALA A 1 366 ? -2.076 -13.406 -4.098 1.00 22.69 ? 366 ALA A H 1 ATOM 5271 H HA . ALA A 1 366 ? -1.749 -11.993 -1.777 1.00 13.29 ? 366 ALA A HA 1 ATOM 5272 H HB1 . ALA A 1 366 ? -0.512 -11.532 -3.617 1.00 22.68 ? 366 ALA A HB1 1 ATOM 5273 H HB2 . ALA A 1 366 ? -1.323 -10.244 -3.236 1.00 22.68 ? 366 ALA A HB2 1 ATOM 5274 H HB3 . ALA A 1 366 ? -1.794 -11.136 -4.439 1.00 22.68 ? 366 ALA A HB3 1 ATOM 5275 N N . GLN A 1 367 ? -4.592 -11.630 -3.093 1.00 19.17 ? 367 GLN A N 1 ATOM 5276 C CA . GLN A 1 367 ? -5.916 -11.092 -2.827 1.00 24.77 ? 367 GLN A CA 1 ATOM 5277 C C . GLN A 1 367 ? -6.486 -11.569 -1.469 1.00 19.79 ? 367 GLN A C 1 ATOM 5278 O O . GLN A 1 367 ? -7.392 -10.931 -0.924 1.00 27.20 ? 367 GLN A O 1 ATOM 5279 C CB . GLN A 1 367 ? -6.884 -11.460 -3.979 1.00 43.63 ? 367 GLN A CB 1 ATOM 5280 C CG . GLN A 1 367 ? -6.535 -10.833 -5.333 1.00 50.79 ? 367 GLN A CG 1 ATOM 5281 C CD . GLN A 1 367 ? -5.276 -11.407 -6.020 1.00 52.09 ? 367 GLN A CD 1 ATOM 5282 O OE1 . GLN A 1 367 ? -4.877 -12.580 -5.818 1.00 45.02 ? 367 GLN A OE1 1 ATOM 5283 N NE2 . GLN A 1 367 ? -4.645 -10.573 -6.844 1.00 52.65 ? 367 GLN A NE2 1 ATOM 5284 H H . GLN A 1 367 ? -4.544 -12.314 -3.832 1.00 48.69 ? 367 GLN A H 1 ATOM 5285 N N . ASP A 1 368 ? -6.032 -12.697 -0.949 1.00 17.96 ? 368 ASP A N 1 ATOM 5286 C CA . ASP A 1 368 ? -6.403 -13.173 0.384 1.00 18.86 ? 368 ASP A CA 1 ATOM 5287 C C . ASP A 1 368 ? -5.617 -12.419 1.465 1.00 19.58 ? 368 ASP A C 1 ATOM 5288 O O . ASP A 1 368 ? -5.997 -12.539 2.596 1.00 26.60 ? 368 ASP A O 1 ATOM 5289 C CB . ASP A 1 368 ? -6.030 -14.687 0.587 1.00 22.68 ? 368 ASP A CB 1 ATOM 5290 C CG . ASP A 1 368 ? -6.824 -15.682 -0.234 1.00 33.98 ? 368 ASP A CG 1 ATOM 5291 O OD1 . ASP A 1 368 ? -7.917 -15.352 -0.747 1.00 35.53 ? 368 ASP A OD1 1 ATOM 5292 O OD2 . ASP A 1 368 ? -6.307 -16.863 -0.313 1.00 36.63 ? 368 ASP A OD2 1 ATOM 5293 H H . ASP A 1 368 ? -5.405 -13.327 -1.427 1.00 19.56 ? 368 ASP A H 1 ATOM 5294 H HA . ASP A 1 368 ? -7.364 -13.055 0.540 1.00 17.70 ? 368 ASP A HA 1 ATOM 5295 H HB2 . ASP A 1 368 ? -5.095 -14.809 0.369 1.00 19.56 ? 368 ASP A HB2 1 ATOM 5296 H HB3 . ASP A 1 368 ? -6.173 -14.917 1.518 1.00 19.56 ? 368 ASP A HB3 1 ATOM 5297 N N . LEU A 1 369 ? -4.554 -11.716 1.131 1.00 13.65 ? 369 LEU A N 1 ATOM 5298 C CA . LEU A 1 369 ? -3.660 -11.236 2.147 1.00 11.74 ? 369 LEU A CA 1 ATOM 5299 C C . LEU A 1 369 ? -3.967 -9.807 2.503 1.00 11.42 ? 369 LEU A C 1 ATOM 5300 O O . LEU A 1 369 ? -4.354 -8.967 1.664 1.00 13.64 ? 369 LEU A O 1 ATOM 5301 C CB . LEU A 1 369 ? -2.242 -11.340 1.662 1.00 11.62 ? 369 LEU A CB 1 ATOM 5302 C CG . LEU A 1 369 ? -1.685 -12.768 1.593 1.00 11.62 ? 369 LEU A CG 1 ATOM 5303 C CD1 . LEU A 1 369 ? -0.391 -12.845 0.879 1.00 13.41 ? 369 LEU A CD1 1 ATOM 5304 C CD2 . LEU A 1 369 ? -1.543 -13.349 2.965 1.00 13.86 ? 369 LEU A CD2 1 ATOM 5305 H H . LEU A 1 369 ? -4.289 -11.460 0.194 1.00 13.30 ? 369 LEU A H 1 ATOM 5306 H HA . LEU A 1 369 ? -3.749 -11.780 2.955 1.00 13.46 ? 369 LEU A HA 1 ATOM 5307 H HB2 . LEU A 1 369 ? -2.186 -10.957 0.773 1.00 13.30 ? 369 LEU A HB2 1 ATOM 5308 H HB3 . LEU A 1 369 ? -1.671 -10.837 2.264 1.00 13.30 ? 369 LEU A HB3 1 ATOM 5309 H HG . LEU A 1 369 ? -2.318 -13.320 1.109 1.00 11.92 ? 369 LEU A HG 1 ATOM 5310 H HD11 . LEU A 1 369 ? -0.446 -12.335 0.069 1.00 13.29 ? 369 LEU A HD11 1 ATOM 5311 H HD12 . LEU A 1 369 ? -0.203 -13.764 0.676 1.00 13.29 ? 369 LEU A HD12 1 ATOM 5312 H HD13 . LEU A 1 369 ? 0.299 -12.487 1.443 1.00 13.29 ? 369 LEU A HD13 1 ATOM 5313 H HD21 . LEU A 1 369 ? -1.071 -12.726 3.522 1.00 13.32 ? 369 LEU A HD21 1 ATOM 5314 H HD22 . LEU A 1 369 ? -1.051 -14.172 2.907 1.00 13.32 ? 369 LEU A HD22 1 ATOM 5315 H HD23 . LEU A 1 369 ? -2.413 -13.520 3.329 1.00 13.33 ? 369 LEU A HD23 1 ATOM 5316 N N . LEU A 1 370 ? -3.790 -9.506 3.774 1.00 10.12 ? 370 LEU A N 1 ATOM 5317 C CA . LEU A 1 370 ? -4.028 -8.188 4.319 1.00 10.48 ? 370 LEU A CA 1 ATOM 5318 C C . LEU A 1 370 ? -2.672 -7.547 4.631 1.00 9.60 ? 370 LEU A C 1 ATOM 5319 O O . LEU A 1 370 ? -1.736 -8.239 5.029 1.00 10.60 ? 370 LEU A O 1 ATOM 5320 C CB . LEU A 1 370 ? -4.825 -8.298 5.587 1.00 10.78 ? 370 LEU A CB 1 ATOM 5321 C CG . LEU A 1 370 ? -6.165 -8.995 5.445 1.00 12.92 ? 370 LEU A CG 1 ATOM 5322 C CD1 . LEU A 1 370 ? -6.885 -8.924 6.775 1.00 16.45 ? 370 LEU A CD1 1 ATOM 5323 C CD2 . LEU A 1 370 ? -7.020 -8.415 4.365 1.00 14.89 ? 370 LEU A CD2 1 ATOM 5324 H H . LEU A 1 370 ? -3.475 -10.166 4.466 1.00 13.59 ? 370 LEU A H 1 ATOM 5325 H HA . LEU A 1 370 ? -4.525 -7.643 3.681 1.00 14.37 ? 370 LEU A HA 1 ATOM 5326 H HB2 . LEU A 1 370 ? -4.305 -8.795 6.237 1.00 13.73 ? 370 LEU A HB2 1 ATOM 5327 H HB3 . LEU A 1 370 ? -4.994 -7.403 5.922 1.00 13.73 ? 370 LEU A HB3 1 ATOM 5328 H HG . LEU A 1 370 ? -6.015 -9.930 5.238 1.00 12.77 ? 370 LEU A HG 1 ATOM 5329 H HD11 . LEU A 1 370 ? -6.304 -9.257 7.463 1.00 13.84 ? 370 LEU A HD11 1 ATOM 5330 H HD12 . LEU A 1 370 ? -7.679 -9.462 6.730 1.00 13.84 ? 370 LEU A HD12 1 ATOM 5331 H HD13 . LEU A 1 370 ? -7.117 -8.010 6.956 1.00 13.84 ? 370 LEU A HD13 1 ATOM 5332 H HD21 . LEU A 1 370 ? -6.968 -7.457 4.407 1.00 13.90 ? 370 LEU A HD21 1 ATOM 5333 H HD22 . LEU A 1 370 ? -7.927 -8.700 4.494 1.00 13.90 ? 370 LEU A HD22 1 ATOM 5334 H HD23 . LEU A 1 370 ? -6.700 -8.723 3.514 1.00 13.90 ? 370 LEU A HD23 1 ATOM 5335 N N . PRO A 1 371 ? -2.538 -6.245 4.442 1.00 9.69 ? 371 PRO A N 1 ATOM 5336 C CA . PRO A 1 371 ? -3.613 -5.317 4.106 1.00 10.69 ? 371 PRO A CA 1 ATOM 5337 C C . PRO A 1 371 ? -4.038 -5.463 2.666 1.00 10.15 ? 371 PRO A C 1 ATOM 5338 O O . PRO A 1 371 ? -3.209 -5.649 1.774 1.00 10.36 ? 371 PRO A O 1 ATOM 5339 C CB . PRO A 1 371 ? -2.988 -3.951 4.317 1.00 11.20 ? 371 PRO A CB 1 ATOM 5340 C CG . PRO A 1 371 ? -1.773 -4.208 5.160 1.00 11.61 ? 371 PRO A CG 1 ATOM 5341 C CD . PRO A 1 371 ? -1.276 -5.532 4.715 1.00 10.45 ? 371 PRO A CD 1 ATOM 5342 H HA . PRO A 1 371 ? -4.380 -5.431 4.702 1.00 13.74 ? 371 PRO A HA 1 ATOM 5343 H HB2 . PRO A 1 371 ? -2.738 -3.557 3.466 1.00 10.18 ? 371 PRO A HB2 1 ATOM 5344 H HB3 . PRO A 1 371 ? -3.613 -3.377 4.787 1.00 10.18 ? 371 PRO A HB3 1 ATOM 5345 H HG2 . PRO A 1 371 ? -1.109 -3.518 5.001 1.00 11.27 ? 371 PRO A HG2 1 ATOM 5346 H HG3 . PRO A 1 371 ? -2.025 -4.237 6.096 1.00 11.27 ? 371 PRO A HG3 1 ATOM 5347 H HD2 . PRO A 1 371 ? -0.750 -5.445 3.904 1.00 10.21 ? 371 PRO A HD2 1 ATOM 5348 H HD3 . PRO A 1 371 ? -0.774 -5.961 5.425 1.00 10.21 ? 371 PRO A HD3 1 ATOM 5349 N N . ALA A 1 372 ? -5.327 -5.308 2.409 1.00 10.64 ? 372 ALA A N 1 ATOM 5350 C CA . ALA A 1 372 ? -5.812 -5.464 1.050 1.00 11.49 ? 372 ALA A CA 1 ATOM 5351 C C . ALA A 1 372 ? -5.206 -4.419 0.162 1.00 10.18 ? 372 ALA A C 1 ATOM 5352 O O . ALA A 1 372 ? -5.200 -3.241 0.437 1.00 11.40 ? 372 ALA A O 1 ATOM 5353 C CB . ALA A 1 372 ? -7.308 -5.293 1.068 1.00 14.75 ? 372 ALA A CB 1 ATOM 5354 H H . ALA A 1 372 ? -6.032 -5.080 3.097 1.00 13.76 ? 372 ALA A H 1 ATOM 5355 H HA . ALA A 1 372 ? -5.591 -6.357 0.716 1.00 11.03 ? 372 ALA A HA 1 ATOM 5356 H HB1 . ALA A 1 372 ? -7.690 -5.944 1.662 1.00 13.77 ? 372 ALA A HB1 1 ATOM 5357 H HB2 . ALA A 1 372 ? -7.645 -5.425 0.179 1.00 13.77 ? 372 ALA A HB2 1 ATOM 5358 H HB3 . ALA A 1 372 ? -7.520 -4.407 1.371 1.00 13.77 ? 372 ALA A HB3 1 ATOM 5359 N N . GLY A 1 373 ? -4.663 -4.906 -0.951 1.00 10.61 ? 373 GLY A N 1 ATOM 5360 C CA . GLY A 1 373 ? -4.052 -4.036 -1.897 1.00 10.96 ? 373 GLY A CA 1 ATOM 5361 C C . GLY A 1 373 ? -2.614 -3.647 -1.611 1.00 10.38 ? 373 GLY A C 1 ATOM 5362 O O . GLY A 1 373 ? -1.981 -3.023 -2.438 1.00 12.57 ? 373 GLY A O 1 ATOM 5363 H H . GLY A 1 373 ? -4.637 -5.882 -1.210 1.00 11.03 ? 373 GLY A H 1 ATOM 5364 H HA2 . GLY A 1 373 ? -4.065 -4.473 -2.763 1.00 12.80 ? 373 GLY A HA2 1 ATOM 5365 H HA3 . GLY A 1 373 ? -4.573 -3.221 -1.977 1.00 12.80 ? 373 GLY A HA3 1 ATOM 5366 N N . SER A 1 374 ? -2.127 -4.073 -0.482 1.00 9.66 ? 374 SER A N 1 ATOM 5367 C CA . SER A 1 374 ? -0.753 -3.779 -0.076 1.00 9.90 ? 374 SER A CA 1 ATOM 5368 C C . SER A 1 374 ? 0.182 -4.950 -0.251 1.00 9.90 ? 374 SER A C 1 ATOM 5369 O O . SER A 1 374 ? 1.368 -4.786 -0.021 1.00 12.83 ? 374 SER A O 1 ATOM 5370 C CB . SER A 1 374 ? -0.672 -3.316 1.369 1.00 10.56 ? 374 SER A CB 1 ATOM 5371 O OG . SER A 1 374 ? -1.310 -2.090 1.572 1.00 10.81 ? 374 SER A OG 1 ATOM 5372 H H . SER A 1 374 ? -2.622 -4.628 0.198 1.00 10.18 ? 374 SER A H 1 ATOM 5373 H HA . SER A 1 374 ? -0.401 -3.047 -0.624 1.00 10.11 ? 374 SER A HA 1 ATOM 5374 H HB2 . SER A 1 374 ? -1.092 -3.985 1.931 1.00 10.18 ? 374 SER A HB2 1 ATOM 5375 H HB3 . SER A 1 374 ? 0.258 -3.221 1.618 1.00 10.18 ? 374 SER A HB3 1 ATOM 5376 N N . VAL A 1 375 ? -0.335 -6.092 -0.632 1.00 10.07 ? 375 VAL A N 1 ATOM 5377 C CA . VAL A 1 375 ? 0.483 -7.292 -0.787 1.00 10.74 ? 375 VAL A CA 1 ATOM 5378 C C . VAL A 1 375 ? 0.395 -7.724 -2.215 1.00 12.23 ? 375 VAL A C 1 ATOM 5379 O O . VAL A 1 375 ? -0.715 -7.945 -2.703 1.00 15.38 ? 375 VAL A O 1 ATOM 5380 C CB . VAL A 1 375 ? 0.053 -8.410 0.171 1.00 12.55 ? 375 VAL A CB 1 ATOM 5381 C CG1 . VAL A 1 375 ? 1.053 -9.544 0.096 1.00 13.75 ? 375 VAL A CG1 1 ATOM 5382 C CG2 . VAL A 1 375 ? -0.072 -7.879 1.596 1.00 12.51 ? 375 VAL A CG2 1 ATOM 5383 H H . VAL A 1 375 ? -1.308 -6.246 -0.848 1.00 10.18 ? 375 VAL A H 1 ATOM 5384 H HA . VAL A 1 375 ? 1.414 -7.079 -0.584 1.00 11.59 ? 375 VAL A HA 1 ATOM 5385 H HB . VAL A 1 375 ? -0.822 -8.754 -0.105 1.00 11.97 ? 375 VAL A HB 1 ATOM 5386 H HG11 . VAL A 1 375 ? 0.940 -10.011 -0.734 1.00 11.88 ? 375 VAL A HG11 1 ATOM 5387 H HG12 . VAL A 1 375 ? 0.898 -10.147 0.827 1.00 11.88 ? 375 VAL A HG12 1 ATOM 5388 H HG13 . VAL A 1 375 ? 1.943 -9.187 0.153 1.00 11.88 ? 375 VAL A HG13 1 ATOM 5389 H HG21 . VAL A 1 375 ? 0.693 -7.333 1.793 1.00 12.04 ? 375 VAL A HG21 1 ATOM 5390 H HG22 . VAL A 1 375 ? -0.113 -8.618 2.207 1.00 12.04 ? 375 VAL A HG22 1 ATOM 5391 H HG23 . VAL A 1 375 ? -0.874 -7.356 1.666 1.00 12.04 ? 375 VAL A HG23 1 ATOM 5392 N N . ILE A 1 376 ? 1.536 -7.803 -2.890 1.00 10.39 ? 376 ILE A N 1 ATOM 5393 C CA . ILE A 1 376 ? 1.632 -8.140 -4.290 1.00 11.38 ? 376 ILE A CA 1 ATOM 5394 C C . ILE A 1 376 ? 2.385 -9.448 -4.357 1.00 9.99 ? 376 ILE A C 1 ATOM 5395 O O . ILE A 1 376 ? 3.496 -9.555 -3.855 1.00 11.14 ? 376 ILE A O 1 ATOM 5396 C CB . ILE A 1 376 ? 2.460 -7.031 -5.056 1.00 14.08 ? 376 ILE A CB 1 ATOM 5397 C CG1 . ILE A 1 376 ? 1.722 -5.681 -4.983 1.00 18.52 ? 376 ILE A CG1 1 ATOM 5398 C CG2 . ILE A 1 376 ? 2.769 -7.484 -6.466 1.00 16.22 ? 376 ILE A CG2 1 ATOM 5399 C CD1 A ILE A 1 376 ? 2.512 -4.570 -5.591 0.50 21.80 ? 376 ILE A CD1 1 ATOM 5400 C CD1 B ILE A 1 376 ? 0.273 -5.753 -5.365 0.50 19.81 ? 376 ILE A CD1 1 ATOM 5401 H H . ILE A 1 376 ? 2.440 -7.630 -2.474 1.00 11.30 ? 376 ILE A H 1 ATOM 5402 H HA . ILE A 1 376 ? 0.750 -8.252 -4.700 1.00 15.19 ? 376 ILE A HA 1 ATOM 5403 H HB . ILE A 1 376 ? 3.304 -6.926 -4.593 1.00 11.02 ? 376 ILE A HB 1 ATOM 5404 H HG21 . ILE A 1 376 ? 3.226 -8.326 -6.440 1.00 14.96 ? 376 ILE A HG21 1 ATOM 5405 H HG22 . ILE A 1 376 ? 3.335 -6.841 -6.897 1.00 14.95 ? 376 ILE A HG22 1 ATOM 5406 H HG23 . ILE A 1 376 ? 1.948 -7.577 -6.956 1.00 14.96 ? 376 ILE A HG23 1 ATOM 5407 H HD11 A ILE A 1 376 ? 3.223 -4.333 -4.992 0.50 14.65 ? 376 ILE A HD11 1 ATOM 5408 H HD11 B ILE A 1 376 ? 0.159 -6.399 -6.065 0.50 15.19 ? 376 ILE A HD11 1 ATOM 5409 H HD12 A ILE A 1 376 ? 1.933 -3.815 -5.723 0.50 14.65 ? 376 ILE A HD12 1 ATOM 5410 H HD12 B ILE A 1 376 ? -0.009 -4.888 -5.671 0.50 15.19 ? 376 ILE A HD12 1 ATOM 5411 H HD13 A ILE A 1 376 ? 2.878 -4.856 -6.424 0.50 14.65 ? 376 ILE A HD13 1 ATOM 5412 H HD13 B ILE A 1 376 ? -0.241 -6.009 -4.596 0.50 15.19 ? 376 ILE A HD13 1 ATOM 5413 N N . SER A 1 377 ? 1.837 -10.454 -5.026 1.00 10.57 ? 377 SER A N 1 ATOM 5414 C CA . SER A 1 377 ? 2.536 -11.705 -5.149 1.00 11.46 ? 377 SER A CA 1 ATOM 5415 C C . SER A 1 377 ? 3.562 -11.606 -6.264 1.00 11.82 ? 377 SER A C 1 ATOM 5416 O O . SER A 1 377 ? 3.345 -10.963 -7.284 1.00 15.88 ? 377 SER A O 1 ATOM 5417 C CB . SER A 1 377 ? 1.546 -12.833 -5.358 1.00 16.10 ? 377 SER A CB 1 ATOM 5418 O OG A SER A 1 377 ? 0.998 -12.686 -6.581 0.50 14.77 ? 377 SER A OG 1 ATOM 5419 O OG B SER A 1 377 ? 2.023 -14.013 -5.933 0.50 18.55 ? 377 SER A OG 1 ATOM 5420 H H . SER A 1 377 ? 0.937 -10.417 -5.484 1.00 15.19 ? 377 SER A H 1 ATOM 5421 H HA . SER A 1 377 ? 3.005 -11.890 -4.311 1.00 11.44 ? 377 SER A HA 1 ATOM 5422 N N . LEU A 1 378 ? 4.657 -12.304 -6.056 1.00 10.66 ? 378 LEU A N 1 ATOM 5423 C CA . LEU A 1 378 ? 5.650 -12.460 -7.100 1.00 10.78 ? 378 LEU A CA 1 ATOM 5424 C C . LEU A 1 378 ? 5.806 -13.947 -7.390 1.00 10.79 ? 378 LEU A C 1 ATOM 5425 O O . LEU A 1 378 ? 5.847 -14.741 -6.469 1.00 11.19 ? 378 LEU A O 1 ATOM 5426 C CB . LEU A 1 378 ? 6.999 -11.915 -6.709 1.00 10.92 ? 378 LEU A CB 1 ATOM 5427 C CG . LEU A 1 378 ? 7.066 -10.449 -6.342 1.00 11.54 ? 378 LEU A CG 1 ATOM 5428 C CD1 . LEU A 1 378 ? 8.474 -10.098 -5.917 1.00 12.49 ? 378 LEU A CD1 1 ATOM 5429 C CD2 . LEU A 1 378 ? 6.624 -9.564 -7.499 1.00 13.84 ? 378 LEU A CD2 1 ATOM 5430 H H . LEU A 1 378 ? 4.891 -12.772 -5.191 1.00 11.44 ? 378 LEU A H 1 ATOM 5431 H HA . LEU A 1 378 ? 5.356 -11.999 -7.910 1.00 12.26 ? 378 LEU A HA 1 ATOM 5432 H HB2 . LEU A 1 378 ? 7.320 -12.416 -5.944 1.00 11.16 ? 378 LEU A HB2 1 ATOM 5433 H HB3 . LEU A 1 378 ? 7.606 -12.049 -7.454 1.00 11.16 ? 378 LEU A HB3 1 ATOM 5434 H HG . LEU A 1 378 ? 6.473 -10.282 -5.592 1.00 11.72 ? 378 LEU A HG 1 ATOM 5435 H HD11 . LEU A 1 378 ? 8.703 -10.614 -5.140 1.00 11.95 ? 378 LEU A HD11 1 ATOM 5436 H HD12 . LEU A 1 378 ? 8.516 -9.162 -5.711 1.00 11.95 ? 378 LEU A HD12 1 ATOM 5437 H HD13 . LEU A 1 378 ? 9.077 -10.303 -6.635 1.00 11.95 ? 378 LEU A HD13 1 ATOM 5438 H HD21 . LEU A 1 378 ? 7.067 -9.854 -8.300 1.00 11.98 ? 378 LEU A HD21 1 ATOM 5439 H HD22 . LEU A 1 378 ? 6.859 -8.653 -7.307 1.00 11.98 ? 378 LEU A HD22 1 ATOM 5440 H HD23 . LEU A 1 378 ? 5.673 -9.639 -7.606 1.00 11.98 ? 378 LEU A HD23 1 ATOM 5441 N N . PRO A 1 379 ? 5.892 -14.299 -8.653 1.00 12.77 ? 379 PRO A N 1 ATOM 5442 C CA . PRO A 1 379 ? 6.095 -15.678 -8.999 1.00 13.52 ? 379 PRO A CA 1 ATOM 5443 C C . PRO A 1 379 ? 7.489 -16.092 -8.686 1.00 11.97 ? 379 PRO A C 1 ATOM 5444 O O . PRO A 1 379 ? 8.407 -15.286 -8.703 1.00 13.55 ? 379 PRO A O 1 ATOM 5445 C CB . PRO A 1 379 ? 5.830 -15.680 -10.499 1.00 16.98 ? 379 PRO A CB 1 ATOM 5446 C CG . PRO A 1 379 ? 6.253 -14.314 -10.945 1.00 16.98 ? 379 PRO A CG 1 ATOM 5447 C CD . PRO A 1 379 ? 5.849 -13.422 -9.828 1.00 14.85 ? 379 PRO A CD 1 ATOM 5448 H HA . PRO A 1 379 ? 5.450 -16.260 -8.545 1.00 13.29 ? 379 PRO A HA 1 ATOM 5449 H HB2 . PRO A 1 379 ? 6.361 -16.367 -10.933 1.00 15.12 ? 379 PRO A HB2 1 ATOM 5450 H HB3 . PRO A 1 379 ? 4.884 -15.819 -10.665 1.00 15.12 ? 379 PRO A HB3 1 ATOM 5451 H HG2 . PRO A 1 379 ? 7.214 -14.292 -11.074 1.00 15.64 ? 379 PRO A HG2 1 ATOM 5452 H HG3 . PRO A 1 379 ? 5.788 -14.076 -11.763 1.00 15.64 ? 379 PRO A HG3 1 ATOM 5453 H HD2 . PRO A 1 379 ? 6.489 -12.698 -9.741 1.00 12.26 ? 379 PRO A HD2 1 ATOM 5454 H HD3 . PRO A 1 379 ? 4.949 -13.088 -9.970 1.00 12.26 ? 379 PRO A HD3 1 ATOM 5455 N N . SER A 1 380 ? 7.676 -17.365 -8.460 1.00 13.30 ? 380 SER A N 1 ATOM 5456 C CA . SER A 1 380 ? 8.978 -17.917 -8.164 1.00 13.61 ? 380 SER A CA 1 ATOM 5457 C C . SER A 1 380 ? 9.887 -18.008 -9.399 1.00 12.39 ? 380 SER A C 1 ATOM 5458 O O . SER A 1 380 ? 9.455 -18.119 -10.524 1.00 12.93 ? 380 SER A O 1 ATOM 5459 C CB . SER A 1 380 ? 8.814 -19.260 -7.512 1.00 18.48 ? 380 SER A CB 1 ATOM 5460 O OG A SER A 1 380 ? 8.319 -20.145 -8.452 0.50 16.09 ? 380 SER A OG 1 ATOM 5461 O OG B SER A 1 380 ? 9.974 -20.022 -7.504 0.50 25.07 ? 380 SER A OG 1 ATOM 5462 H H . SER A 1 380 ? 6.932 -18.049 -8.483 1.00 13.29 ? 380 SER A H 1 ATOM 5463 H HA . SER A 1 380 ? 9.421 -17.335 -7.511 1.00 16.34 ? 380 SER A HA 1 ATOM 5464 N N . ASN A 1 381 ? 11.174 -17.959 -9.131 1.00 12.59 ? 381 ASN A N 1 ATOM 5465 C CA . ASN A 1 381 ? 12.183 -18.174 -10.135 1.00 13.88 ? 381 ASN A CA 1 ATOM 5466 C C . ASN A 1 381 ? 12.006 -17.306 -11.357 1.00 12.85 ? 381 ASN A C 1 ATOM 5467 O O . ASN A 1 381 ? 12.188 -17.756 -12.477 1.00 15.29 ? 381 ASN A O 1 ATOM 5468 C CB . ASN A 1 381 ? 12.268 -19.650 -10.502 1.00 17.02 ? 381 ASN A CB 1 ATOM 5469 C CG . ASN A 1 381 ? 13.581 -19.977 -11.164 1.00 24.89 ? 381 ASN A CG 1 ATOM 5470 O OD1 . ASN A 1 381 ? 13.638 -20.876 -11.992 1.00 36.89 ? 381 ASN A OD1 1 ATOM 5471 N ND2 . ASN A 1 381 ? 14.653 -19.201 -10.844 1.00 27.39 ? 381 ASN A ND2 1 ATOM 5472 H H . ASN A 1 381 ? 11.555 -17.772 -8.214 1.00 16.34 ? 381 ASN A H 1 ATOM 5473 H HA . ASN A 1 381 ? 13.039 -17.921 -9.738 1.00 16.69 ? 381 ASN A HA 1 ATOM 5474 N N . SER A 1 382 ? 11.711 -16.052 -11.136 1.00 11.82 ? 382 SER A N 1 ATOM 5475 C CA . SER A 1 382 ? 11.331 -15.135 -12.171 1.00 11.24 ? 382 SER A CA 1 ATOM 5476 C C . SER A 1 382 ? 12.148 -13.854 -12.045 1.00 10.12 ? 382 SER A C 1 ATOM 5477 O O . SER A 1 382 ? 12.499 -13.451 -10.936 1.00 11.46 ? 382 SER A O 1 ATOM 5478 C CB . SER A 1 382 ? 9.882 -14.799 -12.015 1.00 11.52 ? 382 SER A CB 1 ATOM 5479 O OG . SER A 1 382 ? 9.118 -15.969 -12.298 1.00 14.18 ? 382 SER A OG 1 ATOM 5480 H H . SER A 1 382 ? 11.729 -15.628 -10.219 1.00 10.45 ? 382 SER A H 1 ATOM 5481 H HA . SER A 1 382 ? 11.474 -15.522 -13.060 1.00 11.44 ? 382 SER A HA 1 ATOM 5482 H HB2 . SER A 1 382 ? 9.713 -14.515 -11.102 1.00 12.09 ? 382 SER A HB2 1 ATOM 5483 H HB3 . SER A 1 382 ? 9.640 -14.097 -12.639 1.00 12.09 ? 382 SER A HB3 1 ATOM 5484 N N . VAL A 1 383 ? 12.411 -13.233 -13.177 1.00 9.87 ? 383 VAL A N 1 ATOM 5485 C CA . VAL A 1 383 ? 13.055 -11.947 -13.160 1.00 9.43 ? 383 VAL A CA 1 ATOM 5486 C C . VAL A 1 383 ? 11.980 -10.910 -12.949 1.00 8.85 ? 383 VAL A C 1 ATOM 5487 O O . VAL A 1 383 ? 11.012 -10.824 -13.716 1.00 10.09 ? 383 VAL A O 1 ATOM 5488 C CB . VAL A 1 383 ? 13.787 -11.674 -14.459 1.00 10.59 ? 383 VAL A CB 1 ATOM 5489 C CG1 . VAL A 1 383 ? 14.447 -10.309 -14.394 1.00 10.55 ? 383 VAL A CG1 1 ATOM 5490 C CG2 . VAL A 1 383 ? 14.798 -12.776 -14.680 1.00 12.10 ? 383 VAL A CG2 1 ATOM 5491 H H . VAL A 1 383 ? 12.188 -13.586 -14.095 1.00 11.44 ? 383 VAL A H 1 ATOM 5492 H HA . VAL A 1 383 ? 13.704 -11.901 -12.427 1.00 11.45 ? 383 VAL A HA 1 ATOM 5493 H HB . VAL A 1 383 ? 13.154 -11.680 -15.205 1.00 12.09 ? 383 VAL A HB 1 ATOM 5494 H HG11 . VAL A 1 383 ? 13.798 -9.633 -14.598 1.00 11.44 ? 383 VAL A HG11 1 ATOM 5495 H HG12 . VAL A 1 383 ? 15.158 -10.272 -15.037 1.00 11.44 ? 383 VAL A HG12 1 ATOM 5496 H HG13 . VAL A 1 383 ? 14.800 -10.168 -13.512 1.00 11.44 ? 383 VAL A HG13 1 ATOM 5497 H HG21 . VAL A 1 383 ? 15.269 -12.942 -13.860 1.00 11.44 ? 383 VAL A HG21 1 ATOM 5498 H HG22 . VAL A 1 383 ? 15.417 -12.503 -15.361 1.00 11.44 ? 383 VAL A HG22 1 ATOM 5499 H HG23 . VAL A 1 383 ? 14.341 -13.572 -14.963 1.00 11.44 ? 383 VAL A HG23 1 ATOM 5500 N N . ILE A 1 384 ? 12.148 -10.116 -11.898 1.00 8.53 ? 384 ILE A N 1 ATOM 5501 C CA . ILE A 1 384 ? 11.256 -9.041 -11.534 1.00 8.64 ? 384 ILE A CA 1 ATOM 5502 C C . ILE A 1 384 ? 11.938 -7.737 -11.901 1.00 8.16 ? 384 ILE A C 1 ATOM 5503 O O . ILE A 1 384 ? 13.104 -7.546 -11.651 1.00 9.40 ? 384 ILE A O 1 ATOM 5504 C CB . ILE A 1 384 ? 10.950 -9.052 -10.043 1.00 9.13 ? 384 ILE A CB 1 ATOM 5505 C CG1 . ILE A 1 384 ? 10.641 -10.465 -9.554 1.00 9.60 ? 384 ILE A CG1 1 ATOM 5506 C CG2 . ILE A 1 384 ? 9.844 -8.050 -9.719 1.00 10.31 ? 384 ILE A CG2 1 ATOM 5507 C CD1 . ILE A 1 384 ? 9.469 -11.162 -10.209 1.00 10.45 ? 384 ILE A CD1 1 ATOM 5508 H H . ILE A 1 384 ? 12.930 -10.196 -11.264 1.00 11.47 ? 384 ILE A H 1 ATOM 5509 H HA . ILE A 1 384 ? 10.413 -9.117 -12.026 1.00 11.48 ? 384 ILE A HA 1 ATOM 5510 H HB . ILE A 1 384 ? 11.749 -8.759 -9.578 1.00 9.24 ? 384 ILE A HB 1 ATOM 5511 H HG12 . ILE A 1 384 ? 11.422 -11.023 -9.682 1.00 11.49 ? 384 ILE A HG12 1 ATOM 5512 H HG13 . ILE A 1 384 ? 10.443 -10.415 -8.606 1.00 11.49 ? 384 ILE A HG13 1 ATOM 5513 H HG21 . ILE A 1 384 ? 10.218 -7.166 -9.696 1.00 11.48 ? 384 ILE A HG21 1 ATOM 5514 H HG22 . ILE A 1 384 ? 9.471 -8.266 -8.861 1.00 11.48 ? 384 ILE A HG22 1 ATOM 5515 H HG23 . ILE A 1 384 ? 9.162 -8.100 -10.392 1.00 11.48 ? 384 ILE A HG23 1 ATOM 5516 H HD11 . ILE A 1 384 ? 8.680 -10.629 -10.088 1.00 11.56 ? 384 ILE A HD11 1 ATOM 5517 H HD12 . ILE A 1 384 ? 9.348 -12.020 -9.795 1.00 11.56 ? 384 ILE A HD12 1 ATOM 5518 H HD13 . ILE A 1 384 ? 9.649 -11.275 -11.145 1.00 11.56 ? 384 ILE A HD13 1 ATOM 5519 N N . GLU A 1 385 ? 11.162 -6.841 -12.487 1.00 8.34 ? 385 GLU A N 1 ATOM 5520 C CA . GLU A 1 385 ? 11.615 -5.449 -12.674 1.00 7.95 ? 385 GLU A CA 1 ATOM 5521 C C . GLU A 1 385 ? 10.641 -4.575 -11.919 1.00 7.97 ? 385 GLU A C 1 ATOM 5522 O O . GLU A 1 385 ? 9.427 -4.773 -12.053 1.00 9.46 ? 385 GLU A O 1 ATOM 5523 C CB . GLU A 1 385 ? 11.642 -5.079 -14.121 1.00 8.54 ? 385 GLU A CB 1 ATOM 5524 C CG . GLU A 1 385 ? 12.021 -3.662 -14.361 1.00 8.89 ? 385 GLU A CG 1 ATOM 5525 C CD . GLU A 1 385 ? 12.163 -3.364 -15.822 1.00 10.32 ? 385 GLU A CD 1 ATOM 5526 O OE1 . GLU A 1 385 ? 11.129 -3.150 -16.513 1.00 11.86 ? 385 GLU A OE1 1 ATOM 5527 O OE2 . GLU A 1 385 ? 13.298 -3.420 -16.325 1.00 10.96 ? 385 GLU A OE2 1 ATOM 5528 H H . GLU A 1 385 ? 10.234 -7.023 -12.841 1.00 11.48 ? 385 GLU A H 1 ATOM 5529 H HA . GLU A 1 385 ? 12.511 -5.325 -12.305 1.00 9.71 ? 385 GLU A HA 1 ATOM 5530 H HB2 . GLU A 1 385 ? 12.289 -5.642 -14.575 1.00 8.76 ? 385 GLU A HB2 1 ATOM 5531 H HB3 . GLU A 1 385 ? 10.761 -5.219 -14.499 1.00 8.76 ? 385 GLU A HB3 1 ATOM 5532 H HG2 . GLU A 1 385 ? 11.333 -3.075 -14.009 1.00 9.12 ? 385 GLU A HG2 1 ATOM 5533 H HG3 . GLU A 1 385 ? 12.870 -3.480 -13.928 1.00 9.12 ? 385 GLU A HG3 1 ATOM 5534 N N . VAL A 1 386 ? 11.148 -3.603 -11.195 1.00 7.30 ? 386 VAL A N 1 ATOM 5535 C CA . VAL A 1 386 ? 10.257 -2.663 -10.516 1.00 7.71 ? 386 VAL A CA 1 ATOM 5536 C C . VAL A 1 386 ? 10.741 -1.281 -10.840 1.00 7.49 ? 386 VAL A C 1 ATOM 5537 O O . VAL A 1 386 ? 11.820 -0.861 -10.432 1.00 7.89 ? 386 VAL A O 1 ATOM 5538 C CB . VAL A 1 386 ? 10.207 -2.867 -9.009 1.00 8.01 ? 386 VAL A CB 1 ATOM 5539 C CG1 . VAL A 1 386 ? 9.113 -2.012 -8.411 1.00 8.87 ? 386 VAL A CG1 1 ATOM 5540 C CG2 . VAL A 1 386 ? 10.039 -4.312 -8.636 1.00 9.09 ? 386 VAL A CG2 1 ATOM 5541 H H . VAL A 1 386 ? 12.134 -3.433 -11.053 1.00 9.71 ? 386 VAL A H 1 ATOM 5542 H HA . VAL A 1 386 ? 9.345 -2.756 -10.858 1.00 9.49 ? 386 VAL A HA 1 ATOM 5543 H HB . VAL A 1 386 ? 11.055 -2.568 -8.621 1.00 8.46 ? 386 VAL A HB 1 ATOM 5544 H HG11 . VAL A 1 386 ? 9.372 -1.089 -8.453 1.00 9.49 ? 386 VAL A HG11 1 ATOM 5545 H HG12 . VAL A 1 386 ? 8.981 -2.266 -7.494 1.00 9.49 ? 386 VAL A HG12 1 ATOM 5546 H HG13 . VAL A 1 386 ? 8.301 -2.147 -8.904 1.00 9.49 ? 386 VAL A HG13 1 ATOM 5547 H HG21 . VAL A 1 386 ? 9.323 -4.687 -9.154 1.00 9.49 ? 386 VAL A HG21 1 ATOM 5548 H HG22 . VAL A 1 386 ? 9.833 -4.377 -7.700 1.00 9.49 ? 386 VAL A HG22 1 ATOM 5549 H HG23 . VAL A 1 386 ? 10.856 -4.781 -8.820 1.00 9.49 ? 386 VAL A HG23 1 ATOM 5550 N N . ALA A 1 387 ? 9.947 -0.561 -11.618 1.00 8.15 ? 387 ALA A N 1 ATOM 5551 C CA . ALA A 1 387 ? 10.175 0.831 -11.861 1.00 8.35 ? 387 ALA A CA 1 ATOM 5552 C C . ALA A 1 387 ? 9.488 1.626 -10.751 1.00 8.09 ? 387 ALA A C 1 ATOM 5553 O O . ALA A 1 387 ? 8.368 1.363 -10.391 1.00 8.61 ? 387 ALA A O 1 ATOM 5554 C CB . ALA A 1 387 ? 9.670 1.277 -13.204 1.00 9.43 ? 387 ALA A CB 1 ATOM 5555 H H . ALA A 1 387 ? 9.134 -0.926 -12.094 1.00 9.50 ? 387 ALA A H 1 ATOM 5556 H HA . ALA A 1 387 ? 11.136 1.018 -11.834 1.00 8.46 ? 387 ALA A HA 1 ATOM 5557 H HB1 . ALA A 1 387 ? 10.111 0.768 -13.888 1.00 9.50 ? 387 ALA A HB1 1 ATOM 5558 H HB2 . ALA A 1 387 ? 9.863 2.210 -13.315 1.00 9.50 ? 387 ALA A HB2 1 ATOM 5559 H HB3 . ALA A 1 387 ? 8.722 1.132 -13.246 1.00 9.50 ? 387 ALA A HB3 1 ATOM 5560 N N . LEU A 1 388 ? 10.216 2.630 -10.273 1.00 7.67 ? 388 LEU A N 1 ATOM 5561 C CA . LEU A 1 388 ? 9.812 3.411 -9.096 1.00 7.89 ? 388 LEU A CA 1 ATOM 5562 C C . LEU A 1 388 ? 9.877 4.888 -9.465 1.00 8.09 ? 388 LEU A C 1 ATOM 5563 O O . LEU A 1 388 ? 10.668 5.651 -8.935 1.00 8.45 ? 388 LEU A O 1 ATOM 5564 C CB . LEU A 1 388 ? 10.782 3.143 -7.956 1.00 8.02 ? 388 LEU A CB 1 ATOM 5565 C CG . LEU A 1 388 ? 10.847 1.713 -7.482 1.00 8.72 ? 388 LEU A CG 1 ATOM 5566 C CD1 . LEU A 1 388 ? 12.032 1.468 -6.581 1.00 11.15 ? 388 LEU A CD1 1 ATOM 5567 C CD2 . LEU A 1 388 ? 9.584 1.294 -6.815 1.00 10.74 ? 388 LEU A CD2 1 ATOM 5568 H H . LEU A 1 388 ? 11.092 2.935 -10.673 1.00 8.46 ? 388 LEU A H 1 ATOM 5569 H HA . LEU A 1 388 ? 8.901 3.191 -8.811 1.00 10.40 ? 388 LEU A HA 1 ATOM 5570 H HB2 . LEU A 1 388 ? 11.674 3.389 -8.246 1.00 10.48 ? 388 LEU A HB2 1 ATOM 5571 H HB3 . LEU A 1 388 ? 10.525 3.688 -7.196 1.00 10.48 ? 388 LEU A HB3 1 ATOM 5572 H HG . LEU A 1 388 ? 10.961 1.140 -8.256 1.00 8.84 ? 388 LEU A HG 1 ATOM 5573 H HD11 . LEU A 1 388 ? 12.835 1.721 -7.043 1.00 10.40 ? 388 LEU A HD11 1 ATOM 5574 H HD12 . LEU A 1 388 ? 12.067 0.535 -6.355 1.00 10.40 ? 388 LEU A HD12 1 ATOM 5575 H HD13 . LEU A 1 388 ? 11.933 1.995 -5.784 1.00 10.40 ? 388 LEU A HD13 1 ATOM 5576 H HD21 . LEU A 1 388 ? 9.361 1.935 -6.135 1.00 10.40 ? 388 LEU A HD21 1 ATOM 5577 H HD22 . LEU A 1 388 ? 9.709 0.428 -6.420 1.00 10.40 ? 388 LEU A HD22 1 ATOM 5578 H HD23 . LEU A 1 388 ? 8.883 1.253 -7.469 1.00 10.40 ? 388 LEU A HD23 1 ATOM 5579 N N . PRO A 1 389 ? 9.002 5.352 -10.373 1.00 8.78 ? 389 PRO A N 1 ATOM 5580 C CA . PRO A 1 389 ? 9.115 6.738 -10.833 1.00 9.52 ? 389 PRO A CA 1 ATOM 5581 C C . PRO A 1 389 ? 8.843 7.718 -9.708 1.00 9.25 ? 389 PRO A C 1 ATOM 5582 O O . PRO A 1 389 ? 7.835 7.642 -9.003 1.00 10.32 ? 389 PRO A O 1 ATOM 5583 C CB . PRO A 1 389 ? 8.084 6.876 -11.937 1.00 11.54 ? 389 PRO A CB 1 ATOM 5584 C CG . PRO A 1 389 ? 7.425 5.579 -12.042 1.00 13.13 ? 389 PRO A CG 1 ATOM 5585 C CD . PRO A 1 389 ? 8.056 4.574 -11.182 1.00 11.20 ? 389 PRO A CD 1 ATOM 5586 H HA . PRO A 1 389 ? 10.007 6.895 -11.206 1.00 11.24 ? 389 PRO A HA 1 ATOM 5587 H HB2 . PRO A 1 389 ? 7.440 7.566 -11.710 1.00 32.53 ? 389 PRO A HB2 1 ATOM 5588 H HB3 . PRO A 1 389 ? 8.533 7.093 -12.768 1.00 32.54 ? 389 PRO A HB3 1 ATOM 5589 H HG2 . PRO A 1 389 ? 6.498 5.687 -11.781 1.00 25.15 ? 389 PRO A HG2 1 ATOM 5590 H HG3 . PRO A 1 389 ? 7.469 5.286 -12.965 1.00 25.15 ? 389 PRO A HG3 1 ATOM 5591 H HD2 . PRO A 1 389 ? 7.398 4.144 -10.617 1.00 11.49 ? 389 PRO A HD2 1 ATOM 5592 H HD3 . PRO A 1 389 ? 8.527 3.934 -11.734 1.00 11.49 ? 389 PRO A HD3 1 ATOM 5593 N N . ALA A 1 390 ? 9.737 8.677 -9.569 1.00 9.05 ? 390 ALA A N 1 ATOM 5594 C CA . ALA A 1 390 ? 9.685 9.624 -8.499 1.00 9.32 ? 390 ALA A CA 1 ATOM 5595 C C . ALA A 1 390 ? 8.752 10.793 -8.816 1.00 11.38 ? 390 ALA A C 1 ATOM 5596 O O . ALA A 1 390 ? 8.228 10.901 -9.898 1.00 14.05 ? 390 ALA A O 1 ATOM 5597 C CB . ALA A 1 390 ? 11.103 10.111 -8.205 1.00 11.12 ? 390 ALA A CB 1 ATOM 5598 H H . ALA A 1 390 ? 10.511 8.818 -10.202 1.00 11.24 ? 390 ALA A H 1 ATOM 5599 H HA . ALA A 1 390 ? 9.352 9.186 -7.688 1.00 11.16 ? 390 ALA A HA 1 ATOM 5600 H HB1 . ALA A 1 390 ? 11.609 9.375 -7.857 1.00 11.25 ? 390 ALA A HB1 1 ATOM 5601 H HB2 . ALA A 1 390 ? 11.075 10.818 -7.558 1.00 11.25 ? 390 ALA A HB2 1 ATOM 5602 H HB3 . ALA A 1 390 ? 11.504 10.425 -9.016 1.00 11.25 ? 390 ALA A HB3 1 ATOM 5603 N N . GLY A 1 391 ? 8.572 11.625 -7.824 1.00 11.86 ? 391 GLY A N 1 ATOM 5604 C CA . GLY A 1 391 ? 7.691 12.779 -7.906 1.00 15.46 ? 391 GLY A CA 1 ATOM 5605 C C . GLY A 1 391 ? 6.943 13.021 -6.643 1.00 13.47 ? 391 GLY A C 1 ATOM 5606 O O . GLY A 1 391 ? 6.587 14.155 -6.350 1.00 15.18 ? 391 GLY A O 1 ATOM 5607 H H . GLY A 1 391 ? 9.029 11.537 -6.928 1.00 11.18 ? 391 GLY A H 1 ATOM 5608 H HA2 . GLY A 1 391 ? 8.213 13.566 -8.103 1.00 10.61 ? 391 GLY A HA2 1 ATOM 5609 H HA3 . GLY A 1 391 ? 7.042 12.658 -8.617 1.00 10.61 ? 391 GLY A HA3 1 ATOM 5610 N N . ALA A 1 392 ? 6.661 11.974 -5.886 1.00 12.39 ? 392 ALA A N 1 ATOM 5611 C CA . ALA A 1 392 ? 5.984 12.106 -4.613 1.00 12.11 ? 392 ALA A CA 1 ATOM 5612 C C . ALA A 1 392 ? 6.756 13.028 -3.717 1.00 10.92 ? 392 ALA A C 1 ATOM 5613 O O . ALA A 1 392 ? 7.986 12.943 -3.624 1.00 10.41 ? 392 ALA A O 1 ATOM 5614 C CB . ALA A 1 392 ? 5.830 10.761 -3.948 1.00 12.03 ? 392 ALA A CB 1 ATOM 5615 H H . ALA A 1 392 ? 6.879 11.018 -6.129 1.00 11.11 ? 392 ALA A H 1 ATOM 5616 H HA . ALA A 1 392 ? 5.090 12.481 -4.761 1.00 11.31 ? 392 ALA A HA 1 ATOM 5617 H HB1 . ALA A 1 392 ? 5.319 10.185 -4.522 1.00 11.05 ? 392 ALA A HB1 1 ATOM 5618 H HB2 . ALA A 1 392 ? 5.375 10.876 -3.110 1.00 11.05 ? 392 ALA A HB2 1 ATOM 5619 H HB3 . ALA A 1 392 ? 6.701 10.385 -3.798 1.00 11.05 ? 392 ALA A HB3 1 ATOM 5620 N N . ALA A 1 393 ? 6.055 13.875 -2.987 1.00 9.93 ? 393 ALA A N 1 ATOM 5621 C CA . ALA A 1 393 ? 6.633 14.814 -2.054 1.00 9.82 ? 393 ALA A CA 1 ATOM 5622 C C . ALA A 1 393 ? 7.554 14.130 -1.068 1.00 9.33 ? 393 ALA A C 1 ATOM 5623 O O . ALA A 1 393 ? 7.382 12.939 -0.735 1.00 9.60 ? 393 ALA A O 1 ATOM 5624 C CB . ALA A 1 393 ? 5.537 15.527 -1.318 1.00 11.38 ? 393 ALA A CB 1 ATOM 5625 H H . ALA A 1 393 ? 5.047 13.929 -3.028 1.00 11.31 ? 393 ALA A H 1 ATOM 5626 H HA . ALA A 1 393 ? 7.152 15.480 -2.551 1.00 9.95 ? 393 ALA A HA 1 ATOM 5627 H HB1 . ALA A 1 393 ? 5.020 16.033 -1.948 1.00 11.31 ? 393 ALA A HB1 1 ATOM 5628 H HB2 . ALA A 1 393 ? 5.927 16.116 -0.668 1.00 11.31 ? 393 ALA A HB2 1 ATOM 5629 H HB3 . ALA A 1 393 ? 4.980 14.879 -0.880 1.00 11.31 ? 393 ALA A HB3 1 ATOM 5630 N N . GLY A 1 394 ? 8.526 14.905 -0.583 1.00 9.65 ? 394 GLY A N 1 ATOM 5631 C CA . GLY A 1 394 ? 9.378 14.409 0.467 1.00 9.77 ? 394 GLY A CA 1 ATOM 5632 C C . GLY A 1 394 ? 10.620 13.726 -0.015 1.00 9.67 ? 394 GLY A C 1 ATOM 5633 O O . GLY A 1 394 ? 11.327 13.140 0.760 1.00 10.60 ? 394 GLY A O 1 ATOM 5634 H H . GLY A 1 394 ? 8.734 15.845 -0.889 1.00 9.95 ? 394 GLY A H 1 ATOM 5635 H HA2 . GLY A 1 394 ? 9.649 15.155 1.024 1.00 9.80 ? 394 GLY A HA2 1 ATOM 5636 H HA3 . GLY A 1 394 ? 8.891 13.784 1.027 1.00 9.80 ? 394 GLY A HA3 1 ATOM 5637 N N . GLY A 1 395 ? 10.862 13.748 -1.307 1.00 9.88 ? 395 GLY A N 1 ATOM 5638 C CA . GLY A 1 395 ? 11.985 13.018 -1.876 1.00 9.90 ? 395 GLY A CA 1 ATOM 5639 C C . GLY A 1 395 ? 13.274 13.777 -1.654 1.00 9.84 ? 395 GLY A C 1 ATOM 5640 O O . GLY A 1 395 ? 13.308 14.893 -1.141 1.00 12.02 ? 395 GLY A O 1 ATOM 5641 H H . GLY A 1 395 ? 10.321 14.253 -1.993 1.00 9.97 ? 395 GLY A H 1 ATOM 5642 H HA2 . GLY A 1 395 ? 12.045 12.145 -1.461 1.00 15.19 ? 395 GLY A HA2 1 ATOM 5643 H HA3 . GLY A 1 395 ? 11.840 12.901 -2.825 1.00 15.19 ? 395 GLY A HA3 1 ATOM 5644 N N . PRO A 1 396 ? 14.377 13.153 -2.021 1.00 9.07 ? 396 PRO A N 1 ATOM 5645 C CA . PRO A 1 396 ? 14.454 11.879 -2.719 1.00 8.32 ? 396 PRO A CA 1 ATOM 5646 C C . PRO A 1 396 ? 14.259 10.717 -1.796 1.00 7.46 ? 396 PRO A C 1 ATOM 5647 O O . PRO A 1 396 ? 14.804 10.670 -0.704 1.00 9.27 ? 396 PRO A O 1 ATOM 5648 C CB . PRO A 1 396 ? 15.841 11.890 -3.321 1.00 9.32 ? 396 PRO A CB 1 ATOM 5649 C CG . PRO A 1 396 ? 16.647 12.769 -2.378 1.00 11.23 ? 396 PRO A CG 1 ATOM 5650 C CD . PRO A 1 396 ? 15.697 13.805 -1.931 1.00 11.13 ? 396 PRO A CD 1 ATOM 5651 H HA . PRO A 1 396 ? 13.803 11.848 -3.447 1.00 14.75 ? 396 PRO A HA 1 ATOM 5652 H HB2 . PRO A 1 396 ? 16.201 10.991 -3.344 1.00 9.51 ? 396 PRO A HB2 1 ATOM 5653 H HB3 . PRO A 1 396 ? 15.811 12.274 -4.211 1.00 9.51 ? 396 PRO A HB3 1 ATOM 5654 H HG2 . PRO A 1 396 ? 16.954 12.243 -1.624 1.00 15.98 ? 396 PRO A HG2 1 ATOM 5655 H HG3 . PRO A 1 396 ? 17.394 13.166 -2.853 1.00 16.00 ? 396 PRO A HG3 1 ATOM 5656 H HD2 . PRO A 1 396 ? 15.885 14.058 -1.014 1.00 10.90 ? 396 PRO A HD2 1 ATOM 5657 H HD3 . PRO A 1 396 ? 15.734 14.572 -2.524 1.00 10.90 ? 396 PRO A HD3 1 ATOM 5658 N N . HIS A 1 397 ? 13.433 9.781 -2.216 1.00 7.19 ? 397 HIS A N 1 ATOM 5659 C CA . HIS A 1 397 ? 13.039 8.661 -1.388 1.00 7.00 ? 397 HIS A CA 1 ATOM 5660 C C . HIS A 1 397 ? 13.973 7.486 -1.582 1.00 6.71 ? 397 HIS A C 1 ATOM 5661 O O . HIS A 1 397 ? 14.086 6.990 -2.699 1.00 7.16 ? 397 HIS A O 1 ATOM 5662 C CB . HIS A 1 397 ? 11.638 8.200 -1.724 1.00 7.07 ? 397 HIS A CB 1 ATOM 5663 C CG . HIS A 1 397 ? 10.642 9.267 -1.568 1.00 7.18 ? 397 HIS A CG 1 ATOM 5664 N ND1 . HIS A 1 397 ? 10.178 9.634 -0.337 1.00 7.06 ? 397 HIS A ND1 1 ATOM 5665 C CD2 . HIS A 1 397 ? 10.012 10.017 -2.499 1.00 7.94 ? 397 HIS A CD2 1 ATOM 5666 C CE1 . HIS A 1 397 ? 9.315 10.631 -0.542 1.00 7.63 ? 397 HIS A CE1 1 ATOM 5667 N NE2 . HIS A 1 397 ? 9.200 10.876 -1.837 1.00 8.22 ? 397 HIS A NE2 1 ATOM 5668 H H . HIS A 1 397 ? 13.020 9.765 -3.138 1.00 13.53 ? 397 HIS A H 1 ATOM 5669 H HA . HIS A 1 397 ? 13.037 8.932 -0.448 1.00 8.71 ? 397 HIS A HA 1 ATOM 5670 H HB2 . HIS A 1 397 ? 11.610 7.906 -2.646 1.00 12.42 ? 397 HIS A HB2 1 ATOM 5671 H HB3 . HIS A 1 397 ? 11.391 7.469 -1.138 1.00 12.42 ? 397 HIS A HB3 1 ATOM 5672 H HD2 . HIS A 1 397 ? 10.138 9.978 -3.418 1.00 8.20 ? 397 HIS A HD2 1 ATOM 5673 H HE1 . HIS A 1 397 ? 8.846 11.071 0.129 1.00 8.20 ? 397 HIS A HE1 1 ATOM 5674 H HE2 . HIS A 1 397 ? 8.682 11.461 -2.196 1.00 8.20 ? 397 HIS A HE2 1 ATOM 5675 N N . PRO A 1 398 ? 14.610 6.991 -0.511 1.00 6.48 ? 398 PRO A N 1 ATOM 5676 C CA . PRO A 1 398 ? 15.467 5.804 -0.607 1.00 6.55 ? 398 PRO A CA 1 ATOM 5677 C C . PRO A 1 398 ? 14.632 4.554 -0.425 1.00 6.62 ? 398 PRO A C 1 ATOM 5678 O O . PRO A 1 398 ? 14.369 4.153 0.683 1.00 7.57 ? 398 PRO A O 1 ATOM 5679 C CB . PRO A 1 398 ? 16.485 6.028 0.488 1.00 7.50 ? 398 PRO A CB 1 ATOM 5680 C CG . PRO A 1 398 ? 15.698 6.757 1.532 1.00 7.72 ? 398 PRO A CG 1 ATOM 5681 C CD . PRO A 1 398 ? 14.722 7.626 0.804 1.00 7.10 ? 398 PRO A CD 1 ATOM 5682 H HA . PRO A 1 398 ? 15.932 5.775 -1.467 1.00 11.20 ? 398 PRO A HA 1 ATOM 5683 H HB2 . PRO A 1 398 ? 16.815 5.179 0.824 1.00 11.70 ? 398 PRO A HB2 1 ATOM 5684 H HB3 . PRO A 1 398 ? 17.209 6.575 0.151 1.00 11.70 ? 398 PRO A HB3 1 ATOM 5685 H HG2 . PRO A 1 398 ? 15.233 6.122 2.097 1.00 7.83 ? 398 PRO A HG2 1 ATOM 5686 H HG3 . PRO A 1 398 ? 16.300 7.301 2.063 1.00 7.83 ? 398 PRO A HG3 1 ATOM 5687 H HD2 . PRO A 1 398 ? 13.869 7.623 1.257 1.00 8.71 ? 398 PRO A HD2 1 ATOM 5688 H HD3 . PRO A 1 398 ? 15.076 8.524 0.718 1.00 8.71 ? 398 PRO A HD3 1 ATOM 5689 N N . PHE A 1 399 ? 14.311 3.900 -1.512 1.00 6.23 ? 399 PHE A N 1 ATOM 5690 C CA . PHE A 1 399 ? 13.537 2.698 -1.441 1.00 6.44 ? 399 PHE A CA 1 ATOM 5691 C C . PHE A 1 399 ? 14.402 1.509 -1.153 1.00 6.01 ? 399 PHE A C 1 ATOM 5692 O O . PHE A 1 399 ? 15.484 1.350 -1.697 1.00 6.74 ? 399 PHE A O 1 ATOM 5693 C CB . PHE A 1 399 ? 12.732 2.484 -2.732 1.00 6.95 ? 399 PHE A CB 1 ATOM 5694 C CG . PHE A 1 399 ? 11.345 3.033 -2.621 1.00 6.69 ? 399 PHE A CG 1 ATOM 5695 C CD1 . PHE A 1 399 ? 11.129 4.393 -2.588 1.00 7.64 ? 399 PHE A CD1 1 ATOM 5696 C CD2 . PHE A 1 399 ? 10.276 2.171 -2.456 1.00 8.08 ? 399 PHE A CD2 1 ATOM 5697 C CE1 . PHE A 1 399 ? 9.855 4.885 -2.391 1.00 8.20 ? 399 PHE A CE1 1 ATOM 5698 C CE2 . PHE A 1 399 ? 9.009 2.681 -2.256 1.00 8.82 ? 399 PHE A CE2 1 ATOM 5699 C CZ . PHE A 1 399 ? 8.800 4.037 -2.232 1.00 8.82 ? 399 PHE A CZ 1 ATOM 5700 H H . PHE A 1 399 ? 14.580 4.178 -2.444 1.00 11.14 ? 399 PHE A H 1 ATOM 5701 H HA . PHE A 1 399 ? 12.889 2.784 -0.711 1.00 6.69 ? 399 PHE A HA 1 ATOM 5702 H HB2 . PHE A 1 399 ? 13.172 2.931 -3.472 1.00 11.08 ? 399 PHE A HB2 1 ATOM 5703 H HB3 . PHE A 1 399 ? 12.667 1.534 -2.917 1.00 11.08 ? 399 PHE A HB3 1 ATOM 5704 H HD1 . PHE A 1 399 ? 11.845 4.980 -2.671 1.00 11.06 ? 399 PHE A HD1 1 ATOM 5705 H HD2 . PHE A 1 399 ? 10.413 1.251 -2.446 1.00 11.07 ? 399 PHE A HD2 1 ATOM 5706 H HE1 . PHE A 1 399 ? 9.711 5.804 -2.387 1.00 11.06 ? 399 PHE A HE1 1 ATOM 5707 H HE2 . PHE A 1 399 ? 8.288 2.101 -2.164 1.00 11.07 ? 399 PHE A HE2 1 ATOM 5708 H HZ . PHE A 1 399 ? 7.939 4.375 -2.135 1.00 11.06 ? 399 PHE A HZ 1 ATOM 5709 N N . HIS A 1 400 ? 13.875 0.624 -0.316 1.00 6.45 ? 400 HIS A N 1 ATOM 5710 C CA . HIS A 1 400 ? 14.590 -0.534 0.174 1.00 6.26 ? 400 HIS A CA 1 ATOM 5711 C C . HIS A 1 400 ? 13.693 -1.741 0.042 1.00 6.09 ? 400 HIS A C 1 ATOM 5712 O O . HIS A 1 400 ? 12.527 -1.694 0.334 1.00 6.67 ? 400 HIS A O 1 ATOM 5713 C CB . HIS A 1 400 ? 14.957 -0.312 1.616 1.00 6.68 ? 400 HIS A CB 1 ATOM 5714 C CG . HIS A 1 400 ? 15.473 -1.520 2.301 1.00 6.47 ? 400 HIS A CG 1 ATOM 5715 N ND1 . HIS A 1 400 ? 16.562 -2.229 1.857 1.00 6.34 ? 400 HIS A ND1 1 ATOM 5716 C CD2 . HIS A 1 400 ? 15.050 -2.155 3.405 1.00 6.67 ? 400 HIS A CD2 1 ATOM 5717 C CE1 . HIS A 1 400 ? 16.761 -3.246 2.659 1.00 6.85 ? 400 HIS A CE1 1 ATOM 5718 N NE2 . HIS A 1 400 ? 15.849 -3.242 3.613 1.00 6.85 ? 400 HIS A NE2 1 ATOM 5719 H H . HIS A 1 400 ? 12.934 0.688 0.046 1.00 6.69 ? 400 HIS A H 1 ATOM 5720 H HA . HIS A 1 400 ? 15.407 -0.677 -0.343 1.00 9.25 ? 400 HIS A HA 1 ATOM 5721 H HB2 . HIS A 1 400 ? 15.646 0.370 1.661 1.00 6.84 ? 400 HIS A HB2 1 ATOM 5722 H HB3 . HIS A 1 400 ? 14.169 -0.014 2.096 1.00 6.84 ? 400 HIS A HB3 1 ATOM 5723 H HD1 . HIS A 1 400 ? 17.030 -2.042 1.161 1.00 6.86 ? 400 HIS A HD1 1 ATOM 5724 H HD2 . HIS A 1 400 ? 14.318 -1.912 3.924 1.00 7.01 ? 400 HIS A HD2 1 ATOM 5725 H HE1 . HIS A 1 400 ? 17.441 -3.873 2.571 1.00 6.86 ? 400 HIS A HE1 1 ATOM 5726 N N . LEU A 1 401 ? 14.304 -2.846 -0.390 1.00 6.09 ? 401 LEU A N 1 ATOM 5727 C CA . LEU A 1 401 ? 13.644 -4.137 -0.539 1.00 6.33 ? 401 LEU A CA 1 ATOM 5728 C C . LEU A 1 401 ? 14.318 -5.115 0.420 1.00 6.01 ? 401 LEU A C 1 ATOM 5729 O O . LEU A 1 401 ? 15.506 -5.288 0.384 1.00 6.74 ? 401 LEU A O 1 ATOM 5730 C CB . LEU A 1 401 ? 13.824 -4.635 -1.940 1.00 6.89 ? 401 LEU A CB 1 ATOM 5731 C CG . LEU A 1 401 ? 13.251 -6.015 -2.236 1.00 7.43 ? 401 LEU A CG 1 ATOM 5732 C CD1 . LEU A 1 401 ? 11.775 -6.073 -2.011 1.00 8.91 ? 401 LEU A CD1 1 ATOM 5733 C CD2 . LEU A 1 401 ? 13.560 -6.395 -3.675 1.00 8.92 ? 401 LEU A CD2 1 ATOM 5734 H H . LEU A 1 401 ? 15.280 -2.879 -0.648 1.00 9.25 ? 401 LEU A H 1 ATOM 5735 H HA . LEU A 1 401 ? 12.689 -4.070 -0.337 1.00 9.31 ? 401 LEU A HA 1 ATOM 5736 H HB2 . LEU A 1 401 ? 13.394 -4.009 -2.543 1.00 9.25 ? 401 LEU A HB2 1 ATOM 5737 H HB3 . LEU A 1 401 ? 14.774 -4.668 -2.134 1.00 9.25 ? 401 LEU A HB3 1 ATOM 5738 H HG . LEU A 1 401 ? 13.673 -6.673 -1.666 1.00 7.87 ? 401 LEU A HG 1 ATOM 5739 H HD11 . LEU A 1 401 ? 11.602 -6.062 -1.067 1.00 9.38 ? 401 LEU A HD11 1 ATOM 5740 H HD12 . LEU A 1 401 ? 11.430 -6.882 -2.395 1.00 9.38 ? 401 LEU A HD12 1 ATOM 5741 H HD13 . LEU A 1 401 ? 11.366 -5.311 -2.428 1.00 9.38 ? 401 LEU A HD13 1 ATOM 5742 H HD21 . LEU A 1 401 ? 13.082 -5.805 -4.263 1.00 9.28 ? 401 LEU A HD21 1 ATOM 5743 H HD22 . LEU A 1 401 ? 13.283 -7.302 -3.825 1.00 9.28 ? 401 LEU A HD22 1 ATOM 5744 H HD23 . LEU A 1 401 ? 14.504 -6.312 -3.824 1.00 9.28 ? 401 LEU A HD23 1 ATOM 5745 N N . HIS A 1 402 ? 13.487 -5.742 1.259 1.00 6.35 ? 402 HIS A N 1 ATOM 5746 C CA . HIS A 1 402 ? 13.958 -6.807 2.112 1.00 6.48 ? 402 HIS A CA 1 ATOM 5747 C C . HIS A 1 402 ? 14.197 -8.068 1.295 1.00 6.30 ? 402 HIS A C 1 ATOM 5748 O O . HIS A 1 402 ? 13.652 -8.256 0.221 1.00 7.11 ? 402 HIS A O 1 ATOM 5749 C CB . HIS A 1 402 ? 12.945 -7.103 3.182 1.00 6.75 ? 402 HIS A CB 1 ATOM 5750 C CG . HIS A 1 402 ? 12.752 -6.043 4.203 1.00 6.30 ? 402 HIS A CG 1 ATOM 5751 N ND1 . HIS A 1 402 ? 12.531 -6.384 5.502 1.00 6.65 ? 402 HIS A ND1 1 ATOM 5752 C CD2 . HIS A 1 402 ? 12.687 -4.688 4.168 1.00 6.97 ? 402 HIS A CD2 1 ATOM 5753 C CE1 . HIS A 1 402 ? 12.358 -5.285 6.224 1.00 7.32 ? 402 HIS A CE1 1 ATOM 5754 N NE2 . HIS A 1 402 ? 12.418 -4.231 5.432 1.00 6.97 ? 402 HIS A NE2 1 ATOM 5755 H H . HIS A 1 402 ? 12.504 -5.527 1.357 1.00 9.24 ? 402 HIS A H 1 ATOM 5756 H HA . HIS A 1 402 ? 14.797 -6.545 2.544 1.00 6.74 ? 402 HIS A HA 1 ATOM 5757 H HB2 . HIS A 1 402 ? 12.086 -7.264 2.761 1.00 9.18 ? 402 HIS A HB2 1 ATOM 5758 H HB3 . HIS A 1 402 ? 13.225 -7.904 3.653 1.00 9.18 ? 402 HIS A HB3 1 ATOM 5759 H HD1 . HIS A 1 402 ? 12.516 -7.185 5.808 1.00 9.18 ? 402 HIS A HD1 1 ATOM 5760 H HD2 . HIS A 1 402 ? 12.779 -4.160 3.409 1.00 7.07 ? 402 HIS A HD2 1 ATOM 5761 H HE1 . HIS A 1 402 ? 12.197 -5.262 7.140 1.00 9.18 ? 402 HIS A HE1 1 ATOM 5762 N N . GLY A 1 403 ? 15.020 -8.958 1.850 1.00 6.55 ? 403 GLY A N 1 ATOM 5763 C CA . GLY A 1 403 ? 15.164 -10.291 1.293 1.00 7.33 ? 403 GLY A CA 1 ATOM 5764 C C . GLY A 1 403 ? 16.036 -10.396 0.099 1.00 6.94 ? 403 GLY A C 1 ATOM 5765 O O . GLY A 1 403 ? 16.230 -11.497 -0.415 1.00 7.87 ? 403 GLY A O 1 ATOM 5766 H H . GLY A 1 403 ? 15.586 -8.786 2.669 1.00 6.74 ? 403 GLY A H 1 ATOM 5767 H HA2 . GLY A 1 403 ? 15.532 -10.870 1.977 1.00 7.44 ? 403 GLY A HA2 1 ATOM 5768 H HA3 . GLY A 1 403 ? 14.291 -10.635 1.051 1.00 7.44 ? 403 GLY A HA3 1 ATOM 5769 N N . HIS A 1 404 ? 16.553 -9.275 -0.390 1.00 6.89 ? 404 HIS A N 1 ATOM 5770 C CA . HIS A 1 404 ? 17.169 -9.192 -1.687 1.00 7.02 ? 404 HIS A CA 1 ATOM 5771 C C . HIS A 1 404 ? 18.090 -8.018 -1.764 1.00 7.09 ? 404 HIS A C 1 ATOM 5772 O O . HIS A 1 404 ? 17.874 -7.014 -1.122 1.00 8.70 ? 404 HIS A O 1 ATOM 5773 C CB . HIS A 1 404 ? 16.108 -8.918 -2.755 1.00 7.61 ? 404 HIS A CB 1 ATOM 5774 C CG . HIS A 1 404 ? 15.241 -10.054 -3.064 1.00 7.74 ? 404 HIS A CG 1 ATOM 5775 N ND1 . HIS A 1 404 ? 15.630 -11.035 -3.928 1.00 9.18 ? 404 HIS A ND1 1 ATOM 5776 C CD2 . HIS A 1 404 ? 14.015 -10.398 -2.657 1.00 8.96 ? 404 HIS A CD2 1 ATOM 5777 C CE1 . HIS A 1 404 ? 14.684 -11.953 -4.015 1.00 9.40 ? 404 HIS A CE1 1 ATOM 5778 N NE2 . HIS A 1 404 ? 13.662 -11.574 -3.259 1.00 9.42 ? 404 HIS A NE2 1 ATOM 5779 H H . HIS A 1 404 ? 16.574 -8.397 0.107 1.00 7.15 ? 404 HIS A H 1 ATOM 5780 H HA . HIS A 1 404 ? 17.655 -10.015 -1.901 1.00 7.26 ? 404 HIS A HA 1 ATOM 5781 H HB2 . HIS A 1 404 ? 15.542 -8.193 -2.448 1.00 7.84 ? 404 HIS A HB2 1 ATOM 5782 H HB3 . HIS A 1 404 ? 16.546 -8.662 -3.580 1.00 7.84 ? 404 HIS A HB3 1 ATOM 5783 H HD1 . HIS A 1 404 ? 16.391 -11.069 -4.328 1.00 9.50 ? 404 HIS A HD1 1 ATOM 5784 H HD2 . HIS A 1 404 ? 13.486 -9.915 -2.064 1.00 9.50 ? 404 HIS A HD2 1 ATOM 5785 H HE1 . HIS A 1 404 ? 14.712 -12.714 -4.548 1.00 9.50 ? 404 HIS A HE1 1 ATOM 5786 H HE2 . HIS A 1 404 ? 12.925 -11.995 -3.149 1.00 9.50 ? 404 HIS A HE2 1 ATOM 5787 N N . ASN A 1 405 ? 19.048 -8.142 -2.656 1.00 6.95 ? 405 ASN A N 1 ATOM 5788 C CA . ASN A 1 405 ? 19.601 -6.947 -3.318 1.00 6.61 ? 405 ASN A CA 1 ATOM 5789 C C . ASN A 1 405 ? 19.115 -6.975 -4.760 1.00 6.45 ? 405 ASN A C 1 ATOM 5790 O O . ASN A 1 405 ? 18.380 -7.855 -5.196 1.00 7.51 ? 405 ASN A O 1 ATOM 5791 C CB . ASN A 1 405 ? 21.089 -6.820 -3.130 1.00 6.88 ? 405 ASN A CB 1 ATOM 5792 C CG . ASN A 1 405 ? 21.856 -7.967 -3.655 1.00 7.41 ? 405 ASN A CG 1 ATOM 5793 O OD1 . ASN A 1 405 ? 21.352 -8.755 -4.471 1.00 8.81 ? 405 ASN A OD1 1 ATOM 5794 N ND2 . ASN A 1 405 ? 23.091 -8.069 -3.232 1.00 8.87 ? 405 ASN A ND2 1 ATOM 5795 H H . ASN A 1 405 ? 19.455 -9.019 -2.948 1.00 7.26 ? 405 ASN A H 1 ATOM 5796 H HA . ASN A 1 405 ? 19.208 -6.146 -2.914 1.00 7.03 ? 405 ASN A HA 1 ATOM 5797 H HB2 . ASN A 1 405 ? 21.409 -6.027 -3.583 1.00 7.15 ? 405 ASN A HB2 1 ATOM 5798 H HB3 . ASN A 1 405 ? 21.274 -6.750 -2.180 1.00 7.15 ? 405 ASN A HB3 1 ATOM 5799 N N . PHE A 1 406 ? 19.477 -5.943 -5.494 1.00 6.23 ? 406 PHE A N 1 ATOM 5800 C CA . PHE A 1 406 ? 18.917 -5.763 -6.813 1.00 6.63 ? 406 PHE A CA 1 ATOM 5801 C C . PHE A 1 406 ? 19.852 -4.989 -7.660 1.00 6.39 ? 406 PHE A C 1 ATOM 5802 O O . PHE A 1 406 ? 20.643 -4.189 -7.180 1.00 6.58 ? 406 PHE A O 1 ATOM 5803 C CB . PHE A 1 406 ? 17.548 -5.073 -6.741 1.00 7.03 ? 406 PHE A CB 1 ATOM 5804 C CG . PHE A 1 406 ? 17.502 -3.873 -5.841 1.00 6.68 ? 406 PHE A CG 1 ATOM 5805 C CD1 . PHE A 1 406 ? 18.068 -2.674 -6.219 1.00 6.69 ? 406 PHE A CD1 1 ATOM 5806 C CD2 . PHE A 1 406 ? 16.895 -3.933 -4.606 1.00 7.14 ? 406 PHE A CD2 1 ATOM 5807 C CE1 . PHE A 1 406 ? 18.030 -1.579 -5.378 1.00 7.33 ? 406 PHE A CE1 1 ATOM 5808 C CE2 . PHE A 1 406 ? 16.828 -2.839 -3.779 1.00 7.19 ? 406 PHE A CE2 1 ATOM 5809 C CZ . PHE A 1 406 ? 17.412 -1.664 -4.167 1.00 7.06 ? 406 PHE A CZ 1 ATOM 5810 H H . PHE A 1 406 ? 20.129 -5.226 -5.211 1.00 7.15 ? 406 PHE A H 1 ATOM 5811 H HA . PHE A 1 406 ? 18.791 -6.637 -7.238 1.00 8.07 ? 406 PHE A HA 1 ATOM 5812 H HB2 . PHE A 1 406 ? 17.298 -4.783 -7.632 1.00 8.54 ? 406 PHE A HB2 1 ATOM 5813 H HB3 . PHE A 1 406 ? 16.896 -5.714 -6.417 1.00 8.53 ? 406 PHE A HB3 1 ATOM 5814 H HD1 . PHE A 1 406 ? 18.495 -2.603 -7.041 1.00 8.45 ? 406 PHE A HD1 1 ATOM 5815 H HD2 . PHE A 1 406 ? 16.495 -4.728 -4.335 1.00 8.50 ? 406 PHE A HD2 1 ATOM 5816 H HE1 . PHE A 1 406 ? 18.414 -0.776 -5.646 1.00 8.45 ? 406 PHE A HE1 1 ATOM 5817 H HE2 . PHE A 1 406 ? 16.416 -2.906 -2.948 1.00 8.48 ? 406 PHE A HE2 1 ATOM 5818 H HZ . PHE A 1 406 ? 17.380 -0.921 -3.607 1.00 8.46 ? 406 PHE A HZ 1 ATOM 5819 N N . ALA A 1 407 ? 19.749 -5.207 -8.971 1.00 6.63 ? 407 ALA A N 1 ATOM 5820 C CA . ALA A 1 407 ? 20.471 -4.385 -9.921 1.00 6.87 ? 407 ALA A CA 1 ATOM 5821 C C . ALA A 1 407 ? 19.765 -3.071 -10.064 1.00 6.74 ? 407 ALA A C 1 ATOM 5822 O O . ALA A 1 407 ? 18.558 -3.032 -10.249 1.00 7.61 ? 407 ALA A O 1 ATOM 5823 C CB . ALA A 1 407 ? 20.478 -5.091 -11.266 1.00 7.81 ? 407 ALA A CB 1 ATOM 5824 H H . ALA A 1 407 ? 19.180 -5.930 -9.389 1.00 8.07 ? 407 ALA A H 1 ATOM 5825 H HA . ALA A 1 407 ? 21.395 -4.243 -9.629 1.00 9.51 ? 407 ALA A HA 1 ATOM 5826 H HB1 . ALA A 1 407 ? 20.771 -5.995 -11.145 1.00 8.07 ? 407 ALA A HB1 1 ATOM 5827 H HB2 . ALA A 1 407 ? 21.078 -4.629 -11.857 1.00 8.07 ? 407 ALA A HB2 1 ATOM 5828 H HB3 . ALA A 1 407 ? 19.590 -5.084 -11.632 1.00 8.07 ? 407 ALA A HB3 1 ATOM 5829 N N . VAL A 1 408 ? 20.534 -1.992 -9.996 1.00 6.78 ? 408 VAL A N 1 ATOM 5830 C CA . VAL A 1 408 ? 19.968 -0.673 -10.194 1.00 7.37 ? 408 VAL A CA 1 ATOM 5831 C C . VAL A 1 408 ? 20.083 -0.338 -11.681 1.00 7.40 ? 408 VAL A C 1 ATOM 5832 O O . VAL A 1 408 ? 21.084 0.215 -12.144 1.00 7.50 ? 408 VAL A O 1 ATOM 5833 C CB . VAL A 1 408 ? 20.648 0.388 -9.337 1.00 7.41 ? 408 VAL A CB 1 ATOM 5834 C CG1 . VAL A 1 408 ? 19.961 1.712 -9.547 1.00 8.50 ? 408 VAL A CG1 1 ATOM 5835 C CG2 . VAL A 1 408 ? 20.622 -0.000 -7.894 1.00 9.22 ? 408 VAL A CG2 1 ATOM 5836 H H . VAL A 1 408 ? 21.527 -1.996 -9.810 1.00 9.51 ? 408 VAL A H 1 ATOM 5837 H HA . VAL A 1 408 ? 19.018 -0.678 -9.952 1.00 9.37 ? 408 VAL A HA 1 ATOM 5838 H HB . VAL A 1 408 ? 21.585 0.479 -9.609 1.00 7.82 ? 408 VAL A HB 1 ATOM 5839 H HG11 . VAL A 1 408 ? 20.242 2.085 -10.385 1.00 9.06 ? 408 VAL A HG11 1 ATOM 5840 H HG12 . VAL A 1 408 ? 20.203 2.309 -8.836 1.00 9.06 ? 408 VAL A HG12 1 ATOM 5841 H HG13 . VAL A 1 408 ? 19.010 1.581 -9.550 1.00 9.06 ? 408 VAL A HG13 1 ATOM 5842 H HG21 . VAL A 1 408 ? 19.722 -0.230 -7.649 1.00 9.05 ? 408 VAL A HG21 1 ATOM 5843 H HG22 . VAL A 1 408 ? 20.928 0.738 -7.362 1.00 9.05 ? 408 VAL A HG22 1 ATOM 5844 H HG23 . VAL A 1 408 ? 21.199 -0.755 -7.761 1.00 9.05 ? 408 VAL A HG23 1 ATOM 5845 N N . VAL A 1 409 ? 19.082 -0.772 -12.427 1.00 7.53 ? 409 VAL A N 1 ATOM 5846 C CA . VAL A 1 409 ? 19.126 -0.596 -13.850 1.00 8.20 ? 409 VAL A CA 1 ATOM 5847 C C . VAL A 1 409 ? 18.997 0.841 -14.254 1.00 9.11 ? 409 VAL A C 1 ATOM 5848 O O . VAL A 1 409 ? 19.483 1.221 -15.300 1.00 13.79 ? 409 VAL A O 1 ATOM 5849 C CB . VAL A 1 409 ? 18.154 -1.525 -14.588 1.00 12.42 ? 409 VAL A CB 1 ATOM 5850 C CG1 A VAL A 1 409 ? 18.419 -2.951 -14.218 0.50 11.83 ? 409 VAL A CG1 1 ATOM 5851 C CG1 B VAL A 1 409 ? 17.597 -0.859 -15.811 0.50 11.47 ? 409 VAL A CG1 1 ATOM 5852 C CG2 A VAL A 1 409 ? 16.740 -1.407 -14.397 0.50 10.52 ? 409 VAL A CG2 1 ATOM 5853 C CG2 B VAL A 1 409 ? 18.645 -2.952 -14.674 0.50 13.40 ? 409 VAL A CG2 1 ATOM 5854 H H . VAL A 1 409 ? 18.255 -1.221 -12.061 1.00 9.69 ? 409 VAL A H 1 ATOM 5855 H HA . VAL A 1 409 ? 20.019 -0.870 -14.149 1.00 10.14 ? 409 VAL A HA 1 ATOM 5856 H HG11 A VAL A 1 409 ? 19.366 -3.097 -14.170 0.50 9.93 ? 409 VAL A HG11 1 ATOM 5857 H HG11 B VAL A 1 409 ? 17.230 -0.002 -15.586 0.50 11.58 ? 409 VAL A HG11 1 ATOM 5858 H HG12 A VAL A 1 409 ? 18.035 -3.521 -14.889 0.50 9.93 ? 409 VAL A HG12 1 ATOM 5859 H HG12 B VAL A 1 409 ? 16.891 -1.411 -16.147 0.50 11.58 ? 409 VAL A HG12 1 ATOM 5860 H HG13 A VAL A 1 409 ? 18.015 -3.135 -13.367 0.50 9.93 ? 409 VAL A HG13 1 ATOM 5861 H HG13 B VAL A 1 409 ? 18.287 -0.771 -16.473 0.50 11.58 ? 409 VAL A HG13 1 ATOM 5862 H HG21 A VAL A 1 409 ? 16.526 -1.601 -13.483 0.50 9.77 ? 409 VAL A HG21 1 ATOM 5863 H HG21 B VAL A 1 409 ? 19.476 -2.967 -15.153 0.50 10.35 ? 409 VAL A HG21 1 ATOM 5864 H HG22 A VAL A 1 409 ? 16.296 -2.032 -14.975 0.50 9.77 ? 409 VAL A HG22 1 ATOM 5865 H HG22 B VAL A 1 409 ? 17.990 -3.480 -15.137 0.50 10.35 ? 409 VAL A HG22 1 ATOM 5866 H HG23 A VAL A 1 409 ? 16.473 -0.513 -14.619 0.50 9.77 ? 409 VAL A HG23 1 ATOM 5867 H HG23 B VAL A 1 409 ? 18.772 -3.292 -13.785 0.50 10.35 ? 409 VAL A HG23 1 ATOM 5868 N N . GLN A 1 410 ? 18.374 1.676 -13.459 1.00 7.91 ? 410 GLN A N 1 ATOM 5869 C CA . GLN A 1 410 ? 18.334 3.100 -13.737 1.00 7.83 ? 410 GLN A CA 1 ATOM 5870 C C . GLN A 1 410 ? 18.423 3.810 -12.416 1.00 8.14 ? 410 GLN A C 1 ATOM 5871 O O . GLN A 1 410 ? 17.748 3.442 -11.481 1.00 7.99 ? 410 GLN A O 1 ATOM 5872 C CB . GLN A 1 410 ? 17.102 3.488 -14.506 1.00 8.72 ? 410 GLN A CB 1 ATOM 5873 C CG . GLN A 1 410 ? 17.108 4.941 -14.915 1.00 9.73 ? 410 GLN A CG 1 ATOM 5874 C CD . GLN A 1 410 ? 16.077 5.256 -15.951 1.00 10.13 ? 410 GLN A CD 1 ATOM 5875 O OE1 . GLN A 1 410 ? 15.866 4.490 -16.847 1.00 11.46 ? 410 GLN A OE1 1 ATOM 5876 N NE2 . GLN A 1 410 ? 15.526 6.422 -15.876 1.00 10.42 ? 410 GLN A NE2 1 ATOM 5877 H H . GLN A 1 410 ? 17.876 1.407 -12.622 1.00 8.29 ? 410 GLN A H 1 ATOM 5878 H HA . GLN A 1 410 ? 19.114 3.354 -14.272 1.00 9.77 ? 410 GLN A HA 1 ATOM 5879 H HB2 . GLN A 1 410 ? 17.054 2.940 -15.305 1.00 8.96 ? 410 GLN A HB2 1 ATOM 5880 H HB3 . GLN A 1 410 ? 16.321 3.335 -13.951 1.00 8.96 ? 410 GLN A HB3 1 ATOM 5881 H HG2 . GLN A 1 410 ? 16.929 5.489 -14.135 1.00 9.77 ? 410 GLN A HG2 1 ATOM 5882 H HG3 . GLN A 1 410 ? 17.976 5.162 -15.285 1.00 9.77 ? 410 GLN A HG3 1 ATOM 5883 H HE21 . GLN A 1 410 ? 14.749 6.552 -16.222 1.00 9.77 ? 410 GLN A HE21 1 ATOM 5884 H HE22 . GLN A 1 410 ? 15.934 7.071 -15.486 1.00 9.77 ? 410 GLN A HE22 1 ATOM 5885 N N . SER A 1 411 ? 19.300 4.814 -12.379 1.00 8.46 ? 411 SER A N 1 ATOM 5886 C CA . SER A 1 411 ? 19.586 5.579 -11.199 1.00 8.05 ? 411 SER A CA 1 ATOM 5887 C C . SER A 1 411 ? 18.953 6.970 -11.269 1.00 7.91 ? 411 SER A C 1 ATOM 5888 O O . SER A 1 411 ? 18.502 7.415 -12.302 1.00 8.99 ? 411 SER A O 1 ATOM 5889 C CB . SER A 1 411 ? 21.091 5.728 -11.049 1.00 8.70 ? 411 SER A CB 1 ATOM 5890 O OG . SER A 1 411 ? 21.727 4.510 -10.783 1.00 8.83 ? 411 SER A OG 1 ATOM 5891 H H . SER A 1 411 ? 19.829 5.121 -13.183 1.00 9.77 ? 411 SER A H 1 ATOM 5892 H HA . SER A 1 411 ? 19.243 5.122 -10.403 1.00 8.87 ? 411 SER A HA 1 ATOM 5893 H HB2 . SER A 1 411 ? 21.454 6.094 -11.870 1.00 9.77 ? 411 SER A HB2 1 ATOM 5894 H HB3 . SER A 1 411 ? 21.278 6.333 -10.315 1.00 9.77 ? 411 SER A HB3 1 ATOM 5895 N N . ALA A 1 412 ? 19.007 7.648 -10.134 1.00 8.37 ? 412 ALA A N 1 ATOM 5896 C CA . ALA A 1 412 ? 18.510 9.003 -10.036 1.00 8.82 ? 412 ALA A CA 1 ATOM 5897 C C . ALA A 1 412 ? 19.265 9.907 -10.995 1.00 9.44 ? 412 ALA A C 1 ATOM 5898 O O . ALA A 1 412 ? 20.433 9.779 -11.238 1.00 10.32 ? 412 ALA A O 1 ATOM 5899 C CB . ALA A 1 412 ? 18.690 9.498 -8.630 1.00 9.38 ? 412 ALA A CB 1 ATOM 5900 H H . ALA A 1 412 ? 19.387 7.280 -9.273 1.00 9.77 ? 412 ALA A H 1 ATOM 5901 H HA . ALA A 1 412 ? 17.555 9.017 -10.256 1.00 9.40 ? 412 ALA A HA 1 ATOM 5902 H HB1 . ALA A 1 412 ? 18.205 8.925 -8.032 1.00 9.77 ? 412 ALA A HB1 1 ATOM 5903 H HB2 . ALA A 1 412 ? 18.352 10.395 -8.569 1.00 9.77 ? 412 ALA A HB2 1 ATOM 5904 H HB3 . ALA A 1 412 ? 19.625 9.485 -8.410 1.00 9.77 ? 412 ALA A HB3 1 ATOM 5905 N N . ASN A 1 413 ? 18.509 10.873 -11.499 1.00 9.63 ? 413 ASN A N 1 ATOM 5906 C CA . ASN A 1 413 ? 19.080 11.978 -12.224 1.00 11.30 ? 413 ASN A CA 1 ATOM 5907 C C . ASN A 1 413 ? 19.733 11.610 -13.538 1.00 10.84 ? 413 ASN A C 1 ATOM 5908 O O . ASN A 1 413 ? 20.495 12.402 -14.081 1.00 13.72 ? 413 ASN A O 1 ATOM 5909 C CB . ASN A 1 413 ? 20.091 12.770 -11.393 1.00 13.27 ? 413 ASN A CB 1 ATOM 5910 C CG . ASN A 1 413 ? 20.099 14.230 -11.819 1.00 21.31 ? 413 ASN A CG 1 ATOM 5911 O OD1 . ASN A 1 413 ? 19.006 14.849 -12.135 1.00 25.68 ? 413 ASN A OD1 1 ATOM 5912 N ND2 . ASN A 1 413 ? 21.300 14.812 -11.861 1.00 24.39 ? 413 ASN A ND2 1 ATOM 5913 H H . ASN A 1 413 ? 17.508 10.917 -11.415 1.00 9.40 ? 413 ASN A H 1 ATOM 5914 H HA . ASN A 1 413 ? 18.339 12.579 -12.445 1.00 11.62 ? 413 ASN A HA 1 ATOM 5915 N N . ASN A 1 414 ? 19.388 10.451 -14.068 1.00 10.14 ? 414 ASN A N 1 ATOM 5916 C CA . ASN A 1 414 ? 19.975 10.013 -15.326 1.00 10.30 ? 414 ASN A CA 1 ATOM 5917 C C . ASN A 1 414 ? 18.973 9.109 -15.967 1.00 9.86 ? 414 ASN A C 1 ATOM 5918 O O . ASN A 1 414 ? 18.553 8.107 -15.385 1.00 10.34 ? 414 ASN A O 1 ATOM 5919 C CB . ASN A 1 414 ? 21.312 9.336 -15.032 1.00 10.55 ? 414 ASN A CB 1 ATOM 5920 C CG . ASN A 1 414 ? 21.994 8.826 -16.246 1.00 10.17 ? 414 ASN A CG 1 ATOM 5921 O OD1 . ASN A 1 414 ? 21.396 8.612 -17.303 1.00 11.05 ? 414 ASN A OD1 1 ATOM 5922 N ND2 . ASN A 1 414 ? 23.300 8.607 -16.110 1.00 10.63 ? 414 ASN A ND2 1 ATOM 5923 H H . ASN A 1 414 ? 18.716 9.805 -13.679 1.00 10.47 ? 414 ASN A H 1 ATOM 5924 H HA . ASN A 1 414 ? 20.137 10.780 -15.914 1.00 12.78 ? 414 ASN A HA 1 ATOM 5925 H HB2 . ASN A 1 414 ? 21.901 9.980 -14.608 1.00 10.58 ? 414 ASN A HB2 1 ATOM 5926 H HB3 . ASN A 1 414 ? 21.162 8.587 -14.435 1.00 10.58 ? 414 ASN A HB3 1 ATOM 5927 N N . ALA A 1 415 ? 18.517 9.497 -17.142 1.00 10.05 ? 415 ALA A N 1 ATOM 5928 C CA . ALA A 1 415 ? 17.435 8.797 -17.816 1.00 11.07 ? 415 ALA A CA 1 ATOM 5929 C C . ALA A 1 415 ? 17.881 7.539 -18.498 1.00 11.03 ? 415 ALA A C 1 ATOM 5930 O O . ALA A 1 415 ? 17.023 6.820 -19.011 1.00 12.66 ? 415 ALA A O 1 ATOM 5931 C CB . ALA A 1 415 ? 16.765 9.741 -18.805 1.00 13.36 ? 415 ALA A CB 1 ATOM 5932 H H . ALA A 1 415 ? 18.874 10.288 -17.658 1.00 12.78 ? 415 ALA A H 1 ATOM 5933 H HA . ALA A 1 415 ? 16.757 8.547 -17.155 1.00 9.77 ? 415 ALA A HA 1 ATOM 5934 H HB1 . ALA A 1 415 ? 16.536 10.556 -18.352 1.00 16.47 ? 415 ALA A HB1 1 ATOM 5935 H HB2 . ALA A 1 415 ? 15.972 9.323 -19.148 1.00 16.50 ? 415 ALA A HB2 1 ATOM 5936 H HB3 . ALA A 1 415 ? 17.375 9.926 -19.523 1.00 16.47 ? 415 ALA A HB3 1 ATOM 5937 N N . THR A 1 416 ? 19.170 7.249 -18.538 1.00 10.20 ? 416 THR A N 1 ATOM 5938 C CA . THR A 1 416 ? 19.687 6.122 -19.297 1.00 10.53 ? 416 THR A CA 1 ATOM 5939 C C . THR A 1 416 ? 19.758 4.891 -18.384 1.00 9.94 ? 416 THR A C 1 ATOM 5940 O O . THR A 1 416 ? 20.426 4.917 -17.374 1.00 10.22 ? 416 THR A O 1 ATOM 5941 C CB . THR A 1 416 ? 21.078 6.444 -19.812 1.00 10.96 ? 416 THR A CB 1 ATOM 5942 O OG1 . THR A 1 416 ? 21.037 7.618 -20.597 1.00 12.61 ? 416 THR A OG1 1 ATOM 5943 C CG2 . THR A 1 416 ? 21.633 5.316 -20.628 1.00 11.23 ? 416 THR A CG2 1 ATOM 5944 H H . THR A 1 416 ? 19.894 7.767 -18.064 1.00 11.08 ? 416 THR A H 1 ATOM 5945 H HA . THR A 1 416 ? 19.112 5.947 -20.068 1.00 11.08 ? 416 THR A HA 1 ATOM 5946 H HB . THR A 1 416 ? 21.671 6.588 -19.059 1.00 11.08 ? 416 THR A HB 1 ATOM 5947 H HG21 . THR A 1 416 ? 22.077 4.684 -20.059 1.00 11.08 ? 416 THR A HG21 1 ATOM 5948 H HG22 . THR A 1 416 ? 22.266 5.654 -21.265 1.00 11.08 ? 416 THR A HG22 1 ATOM 5949 H HG23 . THR A 1 416 ? 20.928 4.868 -21.100 1.00 11.08 ? 416 THR A HG23 1 ATOM 5950 N N . PRO A 1 417 ? 19.132 3.787 -18.791 1.00 9.67 ? 417 PRO A N 1 ATOM 5951 C CA . PRO A 1 417 ? 19.251 2.562 -18.049 1.00 9.05 ? 417 PRO A CA 1 ATOM 5952 C C . PRO A 1 417 ? 20.568 1.877 -18.376 1.00 9.48 ? 417 PRO A C 1 ATOM 5953 O O . PRO A 1 417 ? 21.187 2.164 -19.399 1.00 11.77 ? 417 PRO A O 1 ATOM 5954 C CB . PRO A 1 417 ? 18.055 1.775 -18.457 1.00 10.69 ? 417 PRO A CB 1 ATOM 5955 C CG . PRO A 1 417 ? 17.826 2.223 -19.876 1.00 11.97 ? 417 PRO A CG 1 ATOM 5956 C CD . PRO A 1 417 ? 18.194 3.664 -19.915 1.00 10.42 ? 417 PRO A CD 1 ATOM 5957 H HA . PRO A 1 417 ? 19.201 2.742 -17.089 1.00 9.24 ? 417 PRO A HA 1 ATOM 5958 H HB2 . PRO A 1 417 ? 18.248 0.825 -18.417 1.00 10.70 ? 417 PRO A HB2 1 ATOM 5959 H HB3 . PRO A 1 417 ? 17.300 2.002 -17.893 1.00 10.70 ? 417 PRO A HB3 1 ATOM 5960 H HG2 . PRO A 1 417 ? 18.392 1.711 -20.474 1.00 11.76 ? 417 PRO A HG2 1 ATOM 5961 H HG3 . PRO A 1 417 ? 16.891 2.105 -20.107 1.00 11.76 ? 417 PRO A HG3 1 ATOM 5962 H HD2 . PRO A 1 417 ? 18.634 3.871 -20.754 1.00 11.08 ? 417 PRO A HD2 1 ATOM 5963 H HD3 . PRO A 1 417 ? 17.413 4.221 -19.771 1.00 11.08 ? 417 PRO A HD3 1 ATOM 5964 N N . ASN A 1 418 ? 20.943 0.936 -17.539 1.00 8.87 ? 418 ASN A N 1 ATOM 5965 C CA . ASN A 1 418 ? 22.163 0.172 -17.700 1.00 9.14 ? 418 ASN A CA 1 ATOM 5966 C C . ASN A 1 418 ? 21.792 -1.299 -17.499 1.00 8.99 ? 418 ASN A C 1 ATOM 5967 O O . ASN A 1 418 ? 21.543 -1.721 -16.369 1.00 9.15 ? 418 ASN A O 1 ATOM 5968 C CB . ASN A 1 418 ? 23.175 0.633 -16.689 1.00 9.31 ? 418 ASN A CB 1 ATOM 5969 C CG . ASN A 1 418 ? 24.486 -0.124 -16.804 1.00 9.51 ? 418 ASN A CG 1 ATOM 5970 O OD1 . ASN A 1 418 ? 24.657 -1.017 -17.638 1.00 10.23 ? 418 ASN A OD1 1 ATOM 5971 N ND2 . ASN A 1 418 ? 25.436 0.250 -15.975 1.00 9.47 ? 418 ASN A ND2 1 ATOM 5972 H H . ASN A 1 418 ? 20.412 0.676 -16.721 1.00 9.25 ? 418 ASN A H 1 ATOM 5973 H HA . ASN A 1 418 ? 22.537 0.292 -18.598 1.00 9.36 ? 418 ASN A HA 1 ATOM 5974 H HB2 . ASN A 1 418 ? 23.358 1.573 -16.835 1.00 9.55 ? 418 ASN A HB2 1 ATOM 5975 H HB3 . ASN A 1 418 ? 22.824 0.498 -15.796 1.00 9.55 ? 418 ASN A HB3 1 ATOM 5976 H HD21 . ASN A 1 418 ? 26.321 -0.167 -16.026 1.00 9.84 ? 418 ASN A HD21 1 ATOM 5977 H HD22 . ASN A 1 418 ? 25.261 0.946 -15.307 1.00 9.84 ? 418 ASN A HD22 1 ATOM 5978 N N . TYR A 1 419 ? 21.784 -2.039 -18.582 1.00 9.38 ? 419 TYR A N 1 ATOM 5979 C CA . TYR A 1 419 ? 21.486 -3.460 -18.545 1.00 9.57 ? 419 TYR A CA 1 ATOM 5980 C C . TYR A 1 419 ? 22.720 -4.325 -18.599 1.00 10.73 ? 419 TYR A C 1 ATOM 5981 O O . TYR A 1 419 ? 22.639 -5.526 -18.790 1.00 11.88 ? 419 TYR A O 1 ATOM 5982 C CB . TYR A 1 419 ? 20.516 -3.835 -19.644 1.00 10.57 ? 419 TYR A CB 1 ATOM 5983 C CG . TYR A 1 419 ? 19.256 -3.055 -19.603 1.00 10.23 ? 419 TYR A CG 1 ATOM 5984 C CD1 . TYR A 1 419 ? 18.979 -2.056 -20.522 1.00 10.59 ? 419 TYR A CD1 1 ATOM 5985 C CD2 . TYR A 1 419 ? 18.345 -3.262 -18.622 1.00 11.43 ? 419 TYR A CD2 1 ATOM 5986 C CE1 . TYR A 1 419 ? 17.813 -1.314 -20.438 1.00 10.31 ? 419 TYR A CE1 1 ATOM 5987 C CE2 . TYR A 1 419 ? 17.181 -2.532 -18.550 1.00 11.39 ? 419 TYR A CE2 1 ATOM 5988 C CZ . TYR A 1 419 ? 16.938 -1.548 -19.447 1.00 10.07 ? 419 TYR A CZ 1 ATOM 5989 O OH . TYR A 1 419 ? 15.816 -0.773 -19.428 1.00 11.75 ? 419 TYR A OH 1 ATOM 5990 H H . TYR A 1 419 ? 21.978 -1.693 -19.511 1.00 9.36 ? 419 TYR A H 1 ATOM 5991 H HA . TYR A 1 419 ? 21.037 -3.669 -17.700 1.00 10.77 ? 419 TYR A HA 1 ATOM 5992 H HB2 . TYR A 1 419 ? 20.939 -3.683 -20.503 1.00 10.49 ? 419 TYR A HB2 1 ATOM 5993 H HB3 . TYR A 1 419 ? 20.282 -4.772 -19.553 1.00 10.49 ? 419 TYR A HB3 1 ATOM 5994 H HD1 . TYR A 1 419 ? 19.591 -1.872 -21.199 1.00 10.49 ? 419 TYR A HD1 1 ATOM 5995 H HD2 . TYR A 1 419 ? 18.505 -3.923 -17.988 1.00 11.58 ? 419 TYR A HD2 1 ATOM 5996 H HE1 . TYR A 1 419 ? 17.644 -0.643 -21.059 1.00 10.49 ? 419 TYR A HE1 1 ATOM 5997 H HE2 . TYR A 1 419 ? 16.575 -2.695 -17.865 1.00 11.58 ? 419 TYR A HE2 1 ATOM 5998 N N . VAL A 1 420 ? 23.870 -3.709 -18.412 1.00 10.44 ? 420 VAL A N 1 ATOM 5999 C CA . VAL A 1 420 ? 25.165 -4.388 -18.554 1.00 11.18 ? 420 VAL A CA 1 ATOM 6000 C C . VAL A 1 420 ? 25.825 -4.569 -17.225 1.00 10.39 ? 420 VAL A C 1 ATOM 6001 O O . VAL A 1 420 ? 26.082 -5.714 -16.819 1.00 12.00 ? 420 VAL A O 1 ATOM 6002 C CB . VAL A 1 420 ? 26.074 -3.656 -19.542 1.00 13.86 ? 420 VAL A CB 1 ATOM 6003 C CG1 . VAL A 1 420 ? 27.419 -4.348 -19.663 1.00 15.84 ? 420 VAL A CG1 1 ATOM 6004 C CG2 . VAL A 1 420 ? 25.392 -3.574 -20.920 1.00 16.93 ? 420 VAL A CG2 1 ATOM 6005 H H . VAL A 1 420 ? 23.971 -2.740 -18.156 1.00 10.80 ? 420 VAL A H 1 ATOM 6006 H HA . VAL A 1 420 ? 25.020 -5.283 -18.924 1.00 15.59 ? 420 VAL A HA 1 ATOM 6007 H HB . VAL A 1 420 ? 26.228 -2.742 -19.222 1.00 10.57 ? 420 VAL A HB 1 ATOM 6008 H HG11 . VAL A 1 420 ? 27.984 -4.065 -18.940 1.00 15.59 ? 420 VAL A HG11 1 ATOM 6009 H HG12 . VAL A 1 420 ? 27.824 -4.109 -20.499 1.00 15.59 ? 420 VAL A HG12 1 ATOM 6010 H HG13 . VAL A 1 420 ? 27.289 -5.299 -19.625 1.00 15.59 ? 420 VAL A HG13 1 ATOM 6011 H HG21 . VAL A 1 420 ? 25.135 -4.457 -21.194 1.00 15.59 ? 420 VAL A HG21 1 ATOM 6012 H HG22 . VAL A 1 420 ? 26.008 -3.200 -21.555 1.00 15.59 ? 420 VAL A HG22 1 ATOM 6013 H HG23 . VAL A 1 420 ? 24.616 -3.013 -20.854 1.00 15.59 ? 420 VAL A HG23 1 ATOM 6014 N N . ASN A 1 421 ? 26.162 -3.473 -16.555 1.00 9.52 ? 421 ASN A N 1 ATOM 6015 C CA . ASN A 1 421 ? 26.996 -3.588 -15.364 1.00 9.59 ? 421 ASN A CA 1 ATOM 6016 C C . ASN A 1 421 ? 26.628 -2.606 -14.263 1.00 8.52 ? 421 ASN A C 1 ATOM 6017 O O . ASN A 1 421 ? 27.516 -2.072 -13.590 1.00 9.05 ? 421 ASN A O 1 ATOM 6018 C CB . ASN A 1 421 ? 28.454 -3.451 -15.704 1.00 10.54 ? 421 ASN A CB 1 ATOM 6019 C CG . ASN A 1 421 ? 28.788 -2.101 -16.282 1.00 11.33 ? 421 ASN A CG 1 ATOM 6020 O OD1 . ASN A 1 421 ? 27.946 -1.245 -16.540 1.00 11.18 ? 421 ASN A OD1 1 ATOM 6021 N ND2 . ASN A 1 421 ? 30.066 -1.874 -16.454 1.00 15.66 ? 421 ASN A ND2 1 ATOM 6022 H H . ASN A 1 421 ? 25.894 -2.532 -16.800 1.00 10.80 ? 421 ASN A H 1 ATOM 6023 H HA . ASN A 1 421 ? 26.882 -4.482 -14.981 1.00 9.74 ? 421 ASN A HA 1 ATOM 6024 H HB2 . ASN A 1 421 ? 28.990 -3.585 -14.908 1.00 12.55 ? 421 ASN A HB2 1 ATOM 6025 H HB3 . ASN A 1 421 ? 28.682 -4.120 -16.368 1.00 12.55 ? 421 ASN A HB3 1 ATOM 6026 H HD21 . ASN A 1 421 ? 30.424 -0.970 -16.328 1.00 12.66 ? 421 ASN A HD21 1 ATOM 6027 H HD22 . ASN A 1 421 ? 30.666 -2.606 -16.708 1.00 12.66 ? 421 ASN A HD22 1 ATOM 6028 N N . PRO A 1 422 ? 25.355 -2.356 -14.015 1.00 8.09 ? 422 PRO A N 1 ATOM 6029 C CA . PRO A 1 422 ? 25.045 -1.453 -12.911 1.00 8.13 ? 422 PRO A CA 1 ATOM 6030 C C . PRO A 1 422 ? 25.411 -2.076 -11.590 1.00 7.90 ? 422 PRO A C 1 ATOM 6031 O O . PRO A 1 422 ? 25.442 -3.279 -11.404 1.00 7.85 ? 422 PRO A O 1 ATOM 6032 C CB . PRO A 1 422 ? 23.555 -1.297 -13.006 1.00 8.92 ? 422 PRO A CB 1 ATOM 6033 C CG . PRO A 1 422 ? 23.102 -2.608 -13.517 1.00 9.08 ? 422 PRO A CG 1 ATOM 6034 C CD . PRO A 1 422 ? 24.154 -3.016 -14.531 1.00 8.81 ? 422 PRO A CD 1 ATOM 6035 H HA . PRO A 1 422 ? 25.483 -0.583 -13.021 1.00 9.13 ? 422 PRO A HA 1 ATOM 6036 H HB2 . PRO A 1 422 ? 23.185 -1.122 -12.127 1.00 8.99 ? 422 PRO A HB2 1 ATOM 6037 H HB3 . PRO A 1 422 ? 23.334 -0.585 -13.627 1.00 8.99 ? 422 PRO A HB3 1 ATOM 6038 H HG2 . PRO A 1 422 ? 23.060 -3.248 -12.790 1.00 9.32 ? 422 PRO A HG2 1 ATOM 6039 H HG3 . PRO A 1 422 ? 22.235 -2.513 -13.940 1.00 9.32 ? 422 PRO A HG3 1 ATOM 6040 H HD2 . PRO A 1 422 ? 24.276 -3.977 -14.532 1.00 10.61 ? 422 PRO A HD2 1 ATOM 6041 H HD3 . PRO A 1 422 ? 23.925 -2.678 -15.411 1.00 10.61 ? 422 PRO A HD3 1 ATOM 6042 N N . ILE A 1 423 ? 25.607 -1.211 -10.608 1.00 7.76 ? 423 ILE A N 1 ATOM 6043 C CA . ILE A 1 423 ? 25.755 -1.654 -9.266 1.00 7.41 ? 423 ILE A CA 1 ATOM 6044 C C . ILE A 1 423 ? 24.492 -2.399 -8.814 1.00 7.13 ? 423 ILE A C 1 ATOM 6045 O O . ILE A 1 423 ? 23.393 -2.126 -9.258 1.00 7.89 ? 423 ILE A O 1 ATOM 6046 C CB . ILE A 1 423 ? 26.110 -0.489 -8.342 1.00 7.89 ? 423 ILE A CB 1 ATOM 6047 C CG1 . ILE A 1 423 ? 26.751 -0.931 -7.032 1.00 8.36 ? 423 ILE A CG1 1 ATOM 6048 C CG2 . ILE A 1 423 ? 24.925 0.405 -8.070 1.00 8.60 ? 423 ILE A CG2 1 ATOM 6049 C CD1 . ILE A 1 423 ? 28.030 -1.723 -7.173 1.00 8.77 ? 423 ILE A CD1 1 ATOM 6050 H H . ILE A 1 423 ? 25.661 -0.210 -10.736 1.00 9.13 ? 423 ILE A H 1 ATOM 6051 H HA . ILE A 1 423 ? 26.498 -2.291 -9.235 1.00 9.09 ? 423 ILE A HA 1 ATOM 6052 H HB . ILE A 1 423 ? 26.771 0.050 -8.804 1.00 9.13 ? 423 ILE A HB 1 ATOM 6053 H HG12 . ILE A 1 423 ? 26.956 -0.139 -6.510 1.00 8.86 ? 423 ILE A HG12 1 ATOM 6054 H HG13 . ILE A 1 423 ? 26.118 -1.480 -6.549 1.00 8.86 ? 423 ILE A HG13 1 ATOM 6055 H HG21 . ILE A 1 423 ? 24.387 0.472 -8.862 1.00 9.13 ? 423 ILE A HG21 1 ATOM 6056 H HG22 . ILE A 1 423 ? 25.247 1.276 -7.824 1.00 9.13 ? 423 ILE A HG22 1 ATOM 6057 H HG23 . ILE A 1 423 ? 24.408 0.036 -7.351 1.00 9.13 ? 423 ILE A HG23 1 ATOM 6058 H HD11 . ILE A 1 423 ? 27.812 -2.654 -7.261 1.00 9.09 ? 423 ILE A HD11 1 ATOM 6059 H HD12 . ILE A 1 423 ? 28.570 -1.584 -6.392 1.00 9.09 ? 423 ILE A HD12 1 ATOM 6060 H HD13 . ILE A 1 423 ? 28.500 -1.421 -7.954 1.00 9.09 ? 423 ILE A HD13 1 ATOM 6061 N N . TRP A 1 424 ? 24.695 -3.344 -7.912 1.00 7.08 ? 424 TRP A N 1 ATOM 6062 C CA . TRP A 1 424 ? 23.624 -3.965 -7.156 1.00 7.33 ? 424 TRP A CA 1 ATOM 6063 C C . TRP A 1 424 ? 23.671 -3.383 -5.755 1.00 6.92 ? 424 TRP A C 1 ATOM 6064 O O . TRP A 1 424 ? 24.748 -3.120 -5.231 1.00 7.54 ? 424 TRP A O 1 ATOM 6065 C CB . TRP A 1 424 ? 23.793 -5.459 -7.092 1.00 7.91 ? 424 TRP A CB 1 ATOM 6066 C CG . TRP A 1 424 ? 23.542 -6.162 -8.399 1.00 8.00 ? 424 TRP A CG 1 ATOM 6067 C CD1 . TRP A 1 424 ? 24.145 -5.954 -9.595 1.00 8.89 ? 424 TRP A CD1 1 ATOM 6068 C CD2 . TRP A 1 424 ? 22.607 -7.193 -8.590 1.00 7.95 ? 424 TRP A CD2 1 ATOM 6069 N NE1 . TRP A 1 424 ? 23.635 -6.827 -10.514 1.00 9.15 ? 424 TRP A NE1 1 ATOM 6070 C CE2 . TRP A 1 424 ? 22.677 -7.589 -9.934 1.00 9.27 ? 424 TRP A CE2 1 ATOM 6071 C CE3 . TRP A 1 424 ? 21.645 -7.823 -7.753 1.00 9.14 ? 424 TRP A CE3 1 ATOM 6072 C CZ2 . TRP A 1 424 ? 21.887 -8.599 -10.457 1.00 10.52 ? 424 TRP A CZ2 1 ATOM 6073 C CZ3 . TRP A 1 424 ? 20.834 -8.804 -8.292 1.00 11.18 ? 424 TRP A CZ3 1 ATOM 6074 C CH2 . TRP A 1 424 ? 20.968 -9.170 -9.639 1.00 11.53 ? 424 TRP A CH2 1 ATOM 6075 H H . TRP A 1 424 ? 25.609 -3.705 -7.677 1.00 9.10 ? 424 TRP A H 1 ATOM 6076 H HA . TRP A 1 424 ? 22.762 -3.760 -7.565 1.00 7.15 ? 424 TRP A HA 1 ATOM 6077 H HB2 . TRP A 1 424 ? 24.701 -5.662 -6.818 1.00 9.10 ? 424 TRP A HB2 1 ATOM 6078 H HB3 . TRP A 1 424 ? 23.170 -5.816 -6.440 1.00 9.10 ? 424 TRP A HB3 1 ATOM 6079 H HD1 . TRP A 1 424 ? 24.839 -5.355 -9.751 1.00 16.98 ? 424 TRP A HD1 1 ATOM 6080 H HE1 . TRP A 1 424 ? 23.883 -6.883 -11.336 1.00 16.98 ? 424 TRP A HE1 1 ATOM 6081 H HE3 . TRP A 1 424 ? 21.566 -7.581 -6.859 1.00 17.12 ? 424 TRP A HE3 1 ATOM 6082 H HZ2 . TRP A 1 424 ? 21.943 -8.831 -11.355 1.00 16.99 ? 424 TRP A HZ2 1 ATOM 6083 H HZ3 . TRP A 1 424 ? 20.222 -9.248 -7.750 1.00 17.12 ? 424 TRP A HZ3 1 ATOM 6084 H HH2 . TRP A 1 424 ? 20.428 -9.846 -9.977 1.00 17.12 ? 424 TRP A HH2 1 ATOM 6085 N N . ARG A 1 425 ? 22.494 -3.224 -5.154 1.00 6.29 ? 425 ARG A N 1 ATOM 6086 C CA . ARG A 1 425 ? 22.477 -2.705 -3.808 1.00 6.13 ? 425 ARG A CA 1 ATOM 6087 C C . ARG A 1 425 ? 21.109 -3.048 -3.204 1.00 5.76 ? 425 ARG A C 1 ATOM 6088 O O . ARG A 1 425 ? 20.351 -3.806 -3.798 1.00 6.35 ? 425 ARG A O 1 ATOM 6089 C CB . ARG A 1 425 ? 22.789 -1.222 -3.793 1.00 6.25 ? 425 ARG A CB 1 ATOM 6090 C CG . ARG A 1 425 ? 21.704 -0.308 -4.278 1.00 6.57 ? 425 ARG A CG 1 ATOM 6091 C CD . ARG A 1 425 ? 22.192 1.151 -4.364 1.00 7.07 ? 425 ARG A CD 1 ATOM 6092 N NE . ARG A 1 425 ? 22.738 1.549 -3.077 1.00 6.40 ? 425 ARG A NE 1 ATOM 6093 C CZ . ARG A 1 425 ? 23.648 2.472 -2.910 1.00 6.18 ? 425 ARG A CZ 1 ATOM 6094 N NH1 . ARG A 1 425 ? 24.183 2.636 -1.721 1.00 6.63 ? 425 ARG A NH1 1 ATOM 6095 N NH2 . ARG A 1 425 ? 24.024 3.244 -3.919 1.00 6.89 ? 425 ARG A NH2 1 ATOM 6096 H H . ARG A 1 425 ? 21.592 -3.430 -5.560 1.00 7.15 ? 425 ARG A H 1 ATOM 6097 H HA . ARG A 1 425 ? 23.157 -3.163 -3.270 1.00 6.41 ? 425 ARG A HA 1 ATOM 6098 H HB2 . ARG A 1 425 ? 23.001 -0.970 -2.889 1.00 6.64 ? 425 ARG A HB2 1 ATOM 6099 H HB3 . ARG A 1 425 ? 23.563 -1.056 -4.351 1.00 6.64 ? 425 ARG A HB3 1 ATOM 6100 H HG2 . ARG A 1 425 ? 21.422 -0.586 -5.164 1.00 6.64 ? 425 ARG A HG2 1 ATOM 6101 H HG3 . ARG A 1 425 ? 20.955 -0.335 -3.663 1.00 6.64 ? 425 ARG A HG3 1 ATOM 6102 H HD2 . ARG A 1 425 ? 22.883 1.206 -5.041 1.00 6.99 ? 425 ARG A HD2 1 ATOM 6103 H HD3 . ARG A 1 425 ? 21.448 1.735 -4.582 1.00 6.99 ? 425 ARG A HD3 1 ATOM 6104 H HE . ARG A 1 425 ? 22.223 1.292 -2.296 1.00 6.99 ? 425 ARG A HE 1 ATOM 6105 H HH11 . ARG A 1 425 ? 23.912 2.164 -1.057 1.00 6.99 ? 425 ARG A HH11 1 ATOM 6106 H HH12 . ARG A 1 425 ? 24.724 3.286 -1.580 1.00 6.99 ? 425 ARG A HH12 1 ATOM 6107 H HH21 . ARG A 1 425 ? 23.714 3.125 -4.710 1.00 6.99 ? 425 ARG A HH21 1 ATOM 6108 H HH22 . ARG A 1 425 ? 24.605 3.866 -3.787 1.00 6.99 ? 425 ARG A HH22 1 ATOM 6109 N N . ASP A 1 426 ? 20.817 -2.541 -2.005 1.00 5.76 ? 426 ASP A N 1 ATOM 6110 C CA . ASP A 1 426 ? 19.538 -2.847 -1.395 1.00 5.78 ? 426 ASP A CA 1 ATOM 6111 C C . ASP A 1 426 ? 18.693 -1.648 -1.047 1.00 5.47 ? 426 ASP A C 1 ATOM 6112 O O . ASP A 1 426 ? 17.524 -1.844 -0.731 1.00 5.78 ? 426 ASP A O 1 ATOM 6113 C CB . ASP A 1 426 ? 19.681 -3.793 -0.205 1.00 6.03 ? 426 ASP A CB 1 ATOM 6114 C CG . ASP A 1 426 ? 20.373 -3.244 0.993 1.00 6.17 ? 426 ASP A CG 1 ATOM 6115 O OD1 . ASP A 1 426 ? 21.201 -4.005 1.574 1.00 7.29 ? 426 ASP A OD1 1 ATOM 6116 O OD2 . ASP A 1 426 ? 20.124 -2.074 1.356 1.00 6.78 ? 426 ASP A OD2 1 ATOM 6117 H H . ASP A 1 426 ? 21.427 -1.966 -1.450 1.00 6.64 ? 426 ASP A H 1 ATOM 6118 H HA . ASP A 1 426 ? 19.003 -3.345 -2.047 1.00 6.03 ? 426 ASP A HA 1 ATOM 6119 H HB2 . ASP A 1 426 ? 18.794 -4.067 0.075 1.00 6.37 ? 426 ASP A HB2 1 ATOM 6120 H HB3 . ASP A 1 426 ? 20.180 -4.572 -0.498 1.00 6.37 ? 426 ASP A HB3 1 ATOM 6121 N N . THR A 1 427 ? 19.251 -0.449 -1.150 1.00 5.82 ? 427 THR A N 1 ATOM 6122 C CA . THR A 1 427 ? 18.504 0.774 -0.863 1.00 5.97 ? 427 THR A CA 1 ATOM 6123 C C . THR A 1 427 ? 18.918 1.773 -1.908 1.00 5.75 ? 427 THR A C 1 ATOM 6124 O O . THR A 1 427 ? 20.101 1.983 -2.068 1.00 6.12 ? 427 THR A O 1 ATOM 6125 C CB . THR A 1 427 ? 18.813 1.284 0.530 1.00 6.17 ? 427 THR A CB 1 ATOM 6126 O OG1 . THR A 1 427 ? 18.510 0.253 1.484 1.00 6.77 ? 427 THR A OG1 1 ATOM 6127 C CG2 . THR A 1 427 ? 18.039 2.497 0.868 1.00 7.32 ? 427 THR A CG2 1 ATOM 6128 H H . THR A 1 427 ? 20.208 -0.275 -1.419 1.00 6.64 ? 427 THR A H 1 ATOM 6129 H HA . THR A 1 427 ? 17.544 0.610 -0.933 1.00 8.32 ? 427 THR A HA 1 ATOM 6130 H HB . THR A 1 427 ? 19.756 1.502 0.587 1.00 6.43 ? 427 THR A HB 1 ATOM 6131 H HG21 . THR A 1 427 ? 18.529 3.280 0.608 1.00 8.19 ? 427 THR A HG21 1 ATOM 6132 H HG22 . THR A 1 427 ? 17.878 2.530 1.814 1.00 8.19 ? 427 THR A HG22 1 ATOM 6133 H HG23 . THR A 1 427 ? 17.195 2.493 0.411 1.00 8.19 ? 427 THR A HG23 1 ATOM 6134 N N . VAL A 1 428 ? 17.949 2.367 -2.612 1.00 5.99 ? 428 VAL A N 1 ATOM 6135 C CA . VAL A 1 428 ? 18.271 3.201 -3.743 1.00 5.99 ? 428 VAL A CA 1 ATOM 6136 C C . VAL A 1 428 ? 17.461 4.447 -3.717 1.00 6.10 ? 428 VAL A C 1 ATOM 6137 O O . VAL A 1 428 ? 16.260 4.390 -3.557 1.00 6.63 ? 428 VAL A O 1 ATOM 6138 C CB . VAL A 1 428 ? 18.107 2.423 -5.074 1.00 6.75 ? 428 VAL A CB 1 ATOM 6139 C CG1 . VAL A 1 428 ? 16.688 1.965 -5.313 1.00 7.38 ? 428 VAL A CG1 1 ATOM 6140 C CG2 . VAL A 1 428 ? 18.650 3.214 -6.246 1.00 7.13 ? 428 VAL A CG2 1 ATOM 6141 H H . VAL A 1 428 ? 16.962 2.289 -2.413 1.00 8.45 ? 428 VAL A H 1 ATOM 6142 H HA . VAL A 1 428 ? 19.211 3.469 -3.686 1.00 8.77 ? 428 VAL A HA 1 ATOM 6143 H HB . VAL A 1 428 ? 18.653 1.612 -5.010 1.00 6.98 ? 428 VAL A HB 1 ATOM 6144 H HG11 . VAL A 1 428 ? 16.320 1.617 -4.498 1.00 8.58 ? 428 VAL A HG11 1 ATOM 6145 H HG12 . VAL A 1 428 ? 16.696 1.278 -5.983 1.00 8.59 ? 428 VAL A HG12 1 ATOM 6146 H HG13 . VAL A 1 428 ? 16.163 2.708 -5.619 1.00 8.59 ? 428 VAL A HG13 1 ATOM 6147 H HG21 . VAL A 1 428 ? 18.020 3.898 -6.484 1.00 8.78 ? 428 VAL A HG21 1 ATOM 6148 H HG22 . VAL A 1 428 ? 18.780 2.618 -6.987 1.00 8.79 ? 428 VAL A HG22 1 ATOM 6149 H HG23 . VAL A 1 428 ? 19.488 3.612 -5.997 1.00 8.78 ? 428 VAL A HG23 1 ATOM 6150 N N . SER A 1 429 ? 18.095 5.594 -3.911 1.00 6.34 ? 429 SER A N 1 ATOM 6151 C CA . SER A 1 429 ? 17.329 6.800 -4.118 1.00 6.56 ? 429 SER A CA 1 ATOM 6152 C C . SER A 1 429 ? 16.593 6.718 -5.423 1.00 6.22 ? 429 SER A C 1 ATOM 6153 O O . SER A 1 429 ? 17.161 6.463 -6.465 1.00 7.16 ? 429 SER A O 1 ATOM 6154 C CB . SER A 1 429 ? 18.242 7.992 -4.172 1.00 7.48 ? 429 SER A CB 1 ATOM 6155 O OG . SER A 1 429 ? 17.416 9.097 -4.498 1.00 7.77 ? 429 SER A OG 1 ATOM 6156 H H . SER A 1 429 ? 19.098 5.712 -3.929 1.00 8.75 ? 429 SER A H 1 ATOM 6157 H HA . SER A 1 429 ? 16.693 6.928 -3.384 1.00 11.27 ? 429 SER A HA 1 ATOM 6158 H HB2 . SER A 1 429 ? 18.655 8.132 -3.306 1.00 8.73 ? 429 SER A HB2 1 ATOM 6159 H HB3 . SER A 1 429 ? 18.912 7.867 -4.862 1.00 8.73 ? 429 SER A HB3 1 ATOM 6160 N N . ILE A 1 430 ? 15.306 7.013 -5.374 1.00 6.62 ? 430 ILE A N 1 ATOM 6161 C CA . ILE A 1 430 ? 14.507 7.051 -6.583 1.00 6.89 ? 430 ILE A CA 1 ATOM 6162 C C . ILE A 1 430 ? 14.576 8.407 -7.250 1.00 7.49 ? 430 ILE A C 1 ATOM 6163 O O . ILE A 1 430 ? 13.975 8.599 -8.315 1.00 7.89 ? 430 ILE A O 1 ATOM 6164 C CB . ILE A 1 430 ? 13.094 6.551 -6.371 1.00 7.49 ? 430 ILE A CB 1 ATOM 6165 C CG1 . ILE A 1 430 ? 12.265 7.507 -5.553 1.00 8.71 ? 430 ILE A CG1 1 ATOM 6166 C CG2 . ILE A 1 430 ? 13.097 5.158 -5.786 1.00 8.72 ? 430 ILE A CG2 1 ATOM 6167 C CD1 . ILE A 1 430 ? 10.802 7.163 -5.532 1.00 10.02 ? 430 ILE A CD1 1 ATOM 6168 H H . ILE A 1 430 ? 14.800 7.227 -4.528 1.00 11.33 ? 430 ILE A H 1 ATOM 6169 H HA . ILE A 1 430 ? 14.901 6.422 -7.219 1.00 10.32 ? 430 ILE A HA 1 ATOM 6170 H HB . ILE A 1 430 ? 12.680 6.490 -7.246 1.00 9.64 ? 430 ILE A HB 1 ATOM 6171 H HG12 . ILE A 1 430 ? 12.581 7.500 -4.640 1.00 11.40 ? 430 ILE A HG12 1 ATOM 6172 H HG13 . ILE A 1 430 ? 12.346 8.397 -5.922 1.00 11.40 ? 430 ILE A HG13 1 ATOM 6173 H HG21 . ILE A 1 430 ? 13.776 4.635 -6.218 1.00 10.68 ? 430 ILE A HG21 1 ATOM 6174 H HG22 . ILE A 1 430 ? 12.237 4.756 -5.930 1.00 10.68 ? 430 ILE A HG22 1 ATOM 6175 H HG23 . ILE A 1 430 ? 13.278 5.216 -4.845 1.00 10.69 ? 430 ILE A HG23 1 ATOM 6176 H HD11 . ILE A 1 430 ? 10.523 6.923 -6.418 1.00 9.64 ? 430 ILE A HD11 1 ATOM 6177 H HD12 . ILE A 1 430 ? 10.307 7.929 -5.230 1.00 9.64 ? 430 ILE A HD12 1 ATOM 6178 H HD13 . ILE A 1 430 ? 10.662 6.427 -4.933 1.00 9.64 ? 430 ILE A HD13 1 ATOM 6179 N N . GLY A 1 431 ? 15.348 9.336 -6.717 1.00 7.97 ? 431 GLY A N 1 ATOM 6180 C CA . GLY A 1 431 ? 15.612 10.543 -7.479 1.00 8.66 ? 431 GLY A CA 1 ATOM 6181 C C . GLY A 1 431 ? 14.531 11.550 -7.408 1.00 8.97 ? 431 GLY A C 1 ATOM 6182 O O . GLY A 1 431 ? 13.874 11.723 -6.404 1.00 10.15 ? 431 GLY A O 1 ATOM 6183 H H . GLY A 1 431 ? 15.779 9.313 -5.805 1.00 8.17 ? 431 GLY A H 1 ATOM 6184 H HA2 . GLY A 1 431 ? 16.420 10.956 -7.134 1.00 8.83 ? 431 GLY A HA2 1 ATOM 6185 H HA3 . GLY A 1 431 ? 15.774 10.311 -8.406 1.00 8.83 ? 431 GLY A HA3 1 ATOM 6186 N N . GLY A 1 432 ? 14.407 12.297 -8.504 1.00 10.44 ? 432 GLY A N 1 ATOM 6187 C CA . GLY A 1 432 ? 13.600 13.462 -8.581 1.00 12.52 ? 432 GLY A CA 1 ATOM 6188 C C . GLY A 1 432 ? 12.529 13.347 -9.605 1.00 11.73 ? 432 GLY A C 1 ATOM 6189 O O . GLY A 1 432 ? 12.357 12.351 -10.302 1.00 12.04 ? 432 GLY A O 1 ATOM 6190 H H . GLY A 1 432 ? 14.887 12.104 -9.368 1.00 8.83 ? 432 GLY A H 1 ATOM 6191 H HA2 . GLY A 1 432 ? 13.185 13.651 -7.726 1.00 11.57 ? 432 GLY A HA2 1 ATOM 6192 H HA3 . GLY A 1 432 ? 14.163 14.215 -8.818 1.00 11.57 ? 432 GLY A HA3 1 ATOM 6193 N N . THR A 1 433 ? 11.726 14.384 -9.687 1.00 12.98 ? 433 THR A N 1 ATOM 6194 C CA . THR A 1 433 ? 10.604 14.389 -10.583 1.00 13.03 ? 433 THR A CA 1 ATOM 6195 C C . THR A 1 433 ? 11.051 14.051 -12.007 1.00 11.72 ? 433 THR A C 1 ATOM 6196 O O . THR A 1 433 ? 12.014 14.616 -12.486 1.00 13.96 ? 433 THR A O 1 ATOM 6197 C CB . THR A 1 433 ? 9.747 15.630 -10.421 1.00 16.22 ? 433 THR A CB 1 ATOM 6198 O OG1 A THR A 1 433 ? 10.441 16.714 -10.995 0.50 22.74 ? 433 THR A OG1 1 ATOM 6199 O OG1 B THR A 1 433 ? 8.753 15.776 -11.449 0.50 15.21 ? 433 THR A OG1 1 ATOM 6200 C CG2 A THR A 1 433 ? 9.447 15.883 -8.972 0.50 10.12 ? 433 THR A CG2 1 ATOM 6201 C CG2 B THR A 1 433 ? 10.452 16.836 -10.103 0.50 11.30 ? 433 THR A CG2 1 ATOM 6202 H H . THR A 1 433 ? 11.874 15.198 -9.118 1.00 10.61 ? 433 THR A H 1 ATOM 6203 H HA . THR A 1 433 ? 10.027 13.649 -10.299 1.00 10.61 ? 433 THR A HA 1 ATOM 6204 H HG21 A THR A 1 433 ? 9.423 15.059 -8.488 0.50 10.61 ? 433 THR A HG21 1 ATOM 6205 H HG21 B THR A 1 433 ? 11.128 16.678 -9.459 0.50 10.61 ? 433 THR A HG21 1 ATOM 6206 H HG22 A THR A 1 433 ? 8.601 16.327 -8.883 0.50 10.61 ? 433 THR A HG22 1 ATOM 6207 H HG22 B THR A 1 433 ? 9.824 17.452 -9.729 0.50 10.61 ? 433 THR A HG22 1 ATOM 6208 H HG23 A THR A 1 433 ? 10.131 16.433 -8.597 0.50 10.61 ? 433 THR A HG23 1 ATOM 6209 H HG23 B THR A 1 433 ? 10.824 17.208 -10.899 0.50 10.61 ? 433 THR A HG23 1 ATOM 6210 N N . GLY A 1 434 ? 10.345 13.109 -12.605 1.00 11.06 ? 434 GLY A N 1 ATOM 6211 C CA . GLY A 1 434 ? 10.669 12.647 -13.920 1.00 12.58 ? 434 GLY A CA 1 ATOM 6212 C C . GLY A 1 434 ? 11.615 11.468 -14.000 1.00 10.61 ? 434 GLY A C 1 ATOM 6213 O O . GLY A 1 434 ? 11.771 10.903 -15.051 1.00 12.33 ? 434 GLY A O 1 ATOM 6214 H H . GLY A 1 434 ? 9.541 12.651 -12.201 1.00 10.61 ? 434 GLY A H 1 ATOM 6215 H HA2 . GLY A 1 434 ? 9.845 12.385 -14.359 1.00 12.06 ? 434 GLY A HA2 1 ATOM 6216 H HA3 . GLY A 1 434 ? 11.055 13.373 -14.436 1.00 12.06 ? 434 GLY A HA3 1 ATOM 6217 N N . ASP A 1 435 ? 12.263 11.148 -12.903 1.00 9.63 ? 435 ASP A N 1 ATOM 6218 C CA . ASP A 1 435 ? 13.157 10.005 -12.882 1.00 8.85 ? 435 ASP A CA 1 ATOM 6219 C C . ASP A 1 435 ? 12.363 8.721 -12.981 1.00 8.47 ? 435 ASP A C 1 ATOM 6220 O O . ASP A 1 435 ? 11.169 8.636 -12.795 1.00 9.34 ? 435 ASP A O 1 ATOM 6221 C CB . ASP A 1 435 ? 14.028 10.053 -11.656 1.00 9.36 ? 435 ASP A CB 1 ATOM 6222 C CG . ASP A 1 435 ? 15.123 11.099 -11.750 1.00 9.65 ? 435 ASP A CG 1 ATOM 6223 O OD1 . ASP A 1 435 ? 15.337 11.697 -12.828 1.00 11.38 ? 435 ASP A OD1 1 ATOM 6224 O OD2 . ASP A 1 435 ? 15.793 11.315 -10.741 1.00 11.82 ? 435 ASP A OD2 1 ATOM 6225 H H . ASP A 1 435 ? 12.201 11.639 -12.024 1.00 9.69 ? 435 ASP A H 1 ATOM 6226 H HA . ASP A 1 435 ? 13.743 10.042 -13.667 1.00 9.57 ? 435 ASP A HA 1 ATOM 6227 H HB2 . ASP A 1 435 ? 13.487 10.239 -10.875 1.00 9.69 ? 435 ASP A HB2 1 ATOM 6228 H HB3 . ASP A 1 435 ? 14.462 9.192 -11.549 1.00 9.69 ? 435 ASP A HB3 1 ATOM 6229 N N . ASN A 1 436 ? 13.148 7.677 -13.312 1.00 8.65 ? 436 ASN A N 1 ATOM 6230 C CA . ASN A 1 436 ? 12.531 6.348 -13.420 1.00 8.44 ? 436 ASN A CA 1 ATOM 6231 C C . ASN A 1 436 ? 13.476 5.302 -12.936 1.00 7.77 ? 436 ASN A C 1 ATOM 6232 O O . ASN A 1 436 ? 13.818 4.356 -13.627 1.00 8.29 ? 436 ASN A O 1 ATOM 6233 C CB . ASN A 1 436 ? 12.047 6.048 -14.829 1.00 9.37 ? 436 ASN A CB 1 ATOM 6234 C CG . ASN A 1 436 ? 10.899 5.081 -14.832 1.00 9.87 ? 436 ASN A CG 1 ATOM 6235 O OD1 . ASN A 1 436 ? 10.382 4.694 -13.807 1.00 10.83 ? 436 ASN A OD1 1 ATOM 6236 N ND2 . ASN A 1 436 ? 10.485 4.731 -16.032 1.00 10.88 ? 436 ASN A ND2 1 ATOM 6237 H H . ASN A 1 436 ? 14.140 7.716 -13.500 1.00 9.57 ? 436 ASN A H 1 ATOM 6238 H HA . ASN A 1 436 ? 11.758 6.318 -12.820 1.00 8.83 ? 436 ASN A HA 1 ATOM 6239 H HB2 . ASN A 1 436 ? 11.737 6.874 -15.234 1.00 9.77 ? 436 ASN A HB2 1 ATOM 6240 H HB3 . ASN A 1 436 ? 12.765 5.673 -15.361 1.00 9.77 ? 436 ASN A HB3 1 ATOM 6241 N N . VAL A 1 437 ? 13.907 5.485 -11.701 1.00 7.80 ? 437 VAL A N 1 ATOM 6242 C CA . VAL A 1 437 ? 14.756 4.510 -11.049 1.00 7.25 ? 437 VAL A CA 1 ATOM 6243 C C . VAL A 1 437 ? 14.069 3.174 -11.087 1.00 6.89 ? 437 VAL A C 1 ATOM 6244 O O . VAL A 1 437 ? 12.913 3.032 -10.792 1.00 7.90 ? 437 VAL A O 1 ATOM 6245 C CB . VAL A 1 437 ? 15.087 5.002 -9.651 1.00 7.45 ? 437 VAL A CB 1 ATOM 6246 C CG1 . VAL A 1 437 ? 15.755 3.901 -8.838 1.00 7.71 ? 437 VAL A CG1 1 ATOM 6247 C CG2 . VAL A 1 437 ? 15.981 6.197 -9.761 1.00 7.93 ? 437 VAL A CG2 1 ATOM 6248 H H . VAL A 1 437 ? 13.668 6.288 -11.137 1.00 10.14 ? 437 VAL A H 1 ATOM 6249 H HA . VAL A 1 437 ? 15.586 4.442 -11.560 1.00 10.05 ? 437 VAL A HA 1 ATOM 6250 H HB . VAL A 1 437 ? 14.264 5.268 -9.191 1.00 10.23 ? 437 VAL A HB 1 ATOM 6251 H HG11 . VAL A 1 437 ? 15.081 3.301 -8.510 1.00 9.88 ? 437 VAL A HG11 1 ATOM 6252 H HG12 . VAL A 1 437 ? 16.220 4.292 -8.095 1.00 9.88 ? 437 VAL A HG12 1 ATOM 6253 H HG13 . VAL A 1 437 ? 16.374 3.424 -9.392 1.00 9.88 ? 437 VAL A HG13 1 ATOM 6254 H HG21 . VAL A 1 437 ? 16.570 6.083 -10.508 1.00 10.05 ? 437 VAL A HG21 1 ATOM 6255 H HG22 . VAL A 1 437 ? 16.494 6.294 -8.958 1.00 10.06 ? 437 VAL A HG22 1 ATOM 6256 H HG23 . VAL A 1 437 ? 15.441 6.980 -9.892 1.00 10.06 ? 437 VAL A HG23 1 ATOM 6257 N N . THR A 1 438 ? 14.855 2.171 -11.483 1.00 7.12 ? 438 THR A N 1 ATOM 6258 C CA . THR A 1 438 ? 14.312 0.855 -11.763 1.00 7.69 ? 438 THR A CA 1 ATOM 6259 C C . THR A 1 438 ? 15.274 -0.175 -11.235 1.00 7.21 ? 438 THR A C 1 ATOM 6260 O O . THR A 1 438 ? 16.476 -0.033 -11.387 1.00 7.86 ? 438 THR A O 1 ATOM 6261 C CB . THR A 1 438 ? 14.130 0.656 -13.286 1.00 9.14 ? 438 THR A CB 1 ATOM 6262 O OG1 . THR A 1 438 ? 13.182 1.613 -13.769 1.00 9.57 ? 438 THR A OG1 1 ATOM 6263 C CG2 . THR A 1 438 ? 13.562 -0.689 -13.616 1.00 10.13 ? 438 THR A CG2 1 ATOM 6264 H H . THR A 1 438 ? 15.855 2.242 -11.617 1.00 10.05 ? 438 THR A H 1 ATOM 6265 H HA . THR A 1 438 ? 13.446 0.741 -11.325 1.00 8.46 ? 438 THR A HA 1 ATOM 6266 H HB . THR A 1 438 ? 14.977 0.773 -13.742 1.00 9.77 ? 438 THR A HB 1 ATOM 6267 H HG21 . THR A 1 438 ? 14.185 -1.386 -13.401 1.00 9.81 ? 438 THR A HG21 1 ATOM 6268 H HG22 . THR A 1 438 ? 13.358 -0.735 -14.552 1.00 9.81 ? 438 THR A HG22 1 ATOM 6269 H HG23 . THR A 1 438 ? 12.755 -0.832 -13.116 1.00 9.81 ? 438 THR A HG23 1 ATOM 6270 N N . ILE A 1 439 ? 14.719 -1.216 -10.629 1.00 7.13 ? 439 ILE A N 1 ATOM 6271 C CA . ILE A 1 439 ? 15.488 -2.272 -10.026 1.00 7.42 ? 439 ILE A CA 1 ATOM 6272 C C . ILE A 1 439 ? 15.092 -3.600 -10.662 1.00 7.19 ? 439 ILE A C 1 ATOM 6273 O O . ILE A 1 439 ? 13.964 -3.779 -11.132 1.00 8.10 ? 439 ILE A O 1 ATOM 6274 C CB . ILE A 1 439 ? 15.306 -2.299 -8.507 1.00 7.49 ? 439 ILE A CB 1 ATOM 6275 C CG1 . ILE A 1 439 ? 13.909 -2.710 -8.085 1.00 8.23 ? 439 ILE A CG1 1 ATOM 6276 C CG2 . ILE A 1 439 ? 15.706 -0.950 -7.946 1.00 8.51 ? 439 ILE A CG2 1 ATOM 6277 C CD1 . ILE A 1 439 ? 13.743 -2.863 -6.594 1.00 10.22 ? 439 ILE A CD1 1 ATOM 6278 H H . ILE A 1 439 ? 13.721 -1.354 -10.551 1.00 8.46 ? 439 ILE A H 1 ATOM 6279 H HA . ILE A 1 439 ? 16.436 -2.126 -10.206 1.00 9.59 ? 439 ILE A HA 1 ATOM 6280 H HB . ILE A 1 439 ? 15.922 -2.957 -8.151 1.00 8.88 ? 439 ILE A HB 1 ATOM 6281 H HG12 . ILE A 1 439 ? 13.284 -2.031 -8.381 1.00 8.46 ? 439 ILE A HG12 1 ATOM 6282 H HG13 . ILE A 1 439 ? 13.684 -3.563 -8.486 1.00 8.46 ? 439 ILE A HG13 1 ATOM 6283 H HG21 . ILE A 1 439 ? 16.533 -0.674 -8.348 1.00 9.59 ? 439 ILE A HG21 1 ATOM 6284 H HG22 . ILE A 1 439 ? 15.817 -1.027 -6.996 1.00 9.59 ? 439 ILE A HG22 1 ATOM 6285 H HG23 . ILE A 1 439 ? 15.017 -0.312 -8.141 1.00 9.59 ? 439 ILE A HG23 1 ATOM 6286 H HD11 . ILE A 1 439 ? 14.520 -3.300 -6.237 1.00 9.25 ? 439 ILE A HD11 1 ATOM 6287 H HD12 . ILE A 1 439 ? 12.961 -3.392 -6.420 1.00 9.25 ? 439 ILE A HD12 1 ATOM 6288 H HD13 . ILE A 1 439 ? 13.645 -1.993 -6.200 1.00 9.25 ? 439 ILE A HD13 1 ATOM 6289 N N . ARG A 1 440 ? 16.023 -4.549 -10.615 1.00 7.16 ? 440 ARG A N 1 ATOM 6290 C CA . ARG A 1 440 ? 15.728 -5.912 -11.048 1.00 7.92 ? 440 ARG A CA 1 ATOM 6291 C C . ARG A 1 440 ? 16.330 -6.913 -10.084 1.00 7.72 ? 440 ARG A C 1 ATOM 6292 O O . ARG A 1 440 ? 17.398 -6.718 -9.539 1.00 7.84 ? 440 ARG A O 1 ATOM 6293 C CB . ARG A 1 440 ? 16.276 -6.222 -12.393 1.00 8.73 ? 440 ARG A CB 1 ATOM 6294 C CG . ARG A 1 440 ? 15.508 -5.532 -13.507 1.00 8.93 ? 440 ARG A CG 1 ATOM 6295 C CD . ARG A 1 440 ? 15.930 -6.077 -14.807 1.00 10.01 ? 440 ARG A CD 1 ATOM 6296 N NE . ARG A 1 440 ? 15.175 -5.456 -15.877 1.00 9.50 ? 440 ARG A NE 1 ATOM 6297 C CZ . ARG A 1 440 ? 15.416 -5.721 -17.130 1.00 9.31 ? 440 ARG A CZ 1 ATOM 6298 N NH1 . ARG A 1 440 ? 16.365 -6.581 -17.473 1.00 10.82 ? 440 ARG A NH1 1 ATOM 6299 N NH2 . ARG A 1 440 ? 14.755 -5.090 -18.057 1.00 10.54 ? 440 ARG A NH2 1 ATOM 6300 H H . ARG A 1 440 ? 16.970 -4.410 -10.292 1.00 9.59 ? 440 ARG A H 1 ATOM 6301 H HA . ARG A 1 440 ? 14.761 -6.047 -11.067 1.00 9.71 ? 440 ARG A HA 1 ATOM 6302 H HB2 . ARG A 1 440 ? 17.198 -5.923 -12.435 1.00 9.71 ? 440 ARG A HB2 1 ATOM 6303 H HB3 . ARG A 1 440 ? 16.229 -7.179 -12.544 1.00 9.71 ? 440 ARG A HB3 1 ATOM 6304 H HG2 . ARG A 1 440 ? 14.558 -5.694 -13.398 1.00 9.71 ? 440 ARG A HG2 1 ATOM 6305 H HG3 . ARG A 1 440 ? 15.697 -4.581 -13.492 1.00 9.71 ? 440 ARG A HG3 1 ATOM 6306 H HD2 . ARG A 1 440 ? 16.873 -5.887 -14.937 1.00 9.71 ? 440 ARG A HD2 1 ATOM 6307 H HD3 . ARG A 1 440 ? 15.765 -7.033 -14.827 1.00 9.71 ? 440 ARG A HD3 1 ATOM 6308 H HE . ARG A 1 440 ? 14.729 -4.619 -15.674 1.00 9.71 ? 440 ARG A HE 1 ATOM 6309 H HH11 . ARG A 1 440 ? 16.829 -6.994 -16.881 1.00 9.71 ? 440 ARG A HH11 1 ATOM 6310 H HH12 . ARG A 1 440 ? 16.512 -6.744 -18.304 1.00 9.71 ? 440 ARG A HH12 1 ATOM 6311 H HH21 . ARG A 1 440 ? 14.134 -4.534 -17.844 1.00 9.71 ? 440 ARG A HH21 1 ATOM 6312 H HH22 . ARG A 1 440 ? 14.896 -5.269 -18.886 1.00 9.71 ? 440 ARG A HH22 1 ATOM 6313 N N . PHE A 1 441 ? 15.618 -8.025 -9.929 1.00 8.26 ? 441 PHE A N 1 ATOM 6314 C CA . PHE A 1 441 ? 16.096 -9.130 -9.109 1.00 8.45 ? 441 PHE A CA 1 ATOM 6315 C C . PHE A 1 441 ? 15.351 -10.345 -9.574 1.00 9.28 ? 441 PHE A C 1 ATOM 6316 O O . PHE A 1 441 ? 14.377 -10.285 -10.292 1.00 9.75 ? 441 PHE A O 1 ATOM 6317 C CB . PHE A 1 441 ? 15.885 -8.852 -7.619 1.00 8.83 ? 441 PHE A CB 1 ATOM 6318 C CG . PHE A 1 441 ? 14.472 -8.623 -7.222 1.00 8.50 ? 441 PHE A CG 1 ATOM 6319 C CD1 . PHE A 1 441 ? 13.681 -9.651 -6.718 1.00 9.65 ? 441 PHE A CD1 1 ATOM 6320 C CD2 . PHE A 1 441 ? 13.890 -7.369 -7.349 1.00 9.13 ? 441 PHE A CD2 1 ATOM 6321 C CE1 . PHE A 1 441 ? 12.362 -9.417 -6.353 1.00 10.63 ? 441 PHE A CE1 1 ATOM 6322 C CE2 . PHE A 1 441 ? 12.599 -7.138 -7.012 1.00 9.81 ? 441 PHE A CE2 1 ATOM 6323 C CZ . PHE A 1 441 ? 11.818 -8.169 -6.503 1.00 10.72 ? 441 PHE A CZ 1 ATOM 6324 H H . PHE A 1 441 ? 14.714 -8.183 -10.352 1.00 9.71 ? 441 PHE A H 1 ATOM 6325 H HA . PHE A 1 441 ? 17.052 -9.276 -9.268 1.00 9.11 ? 441 PHE A HA 1 ATOM 6326 H HB2 . PHE A 1 441 ? 16.214 -9.613 -7.114 1.00 9.20 ? 441 PHE A HB2 1 ATOM 6327 H HB3 . PHE A 1 441 ? 16.390 -8.060 -7.378 1.00 9.20 ? 441 PHE A HB3 1 ATOM 6328 H HD1 . PHE A 1 441 ? 14.043 -10.502 -6.615 1.00 9.20 ? 441 PHE A HD1 1 ATOM 6329 H HD2 . PHE A 1 441 ? 14.398 -6.670 -7.694 1.00 9.20 ? 441 PHE A HD2 1 ATOM 6330 H HE1 . PHE A 1 441 ? 11.843 -10.112 -6.018 1.00 9.20 ? 441 PHE A HE1 1 ATOM 6331 H HE2 . PHE A 1 441 ? 12.238 -6.286 -7.108 1.00 9.20 ? 441 PHE A HE2 1 ATOM 6332 H HZ . PHE A 1 441 ? 10.935 -8.011 -6.260 1.00 9.20 ? 441 PHE A HZ 1 ATOM 6333 N N . THR A 1 442 ? 15.839 -11.488 -9.109 1.00 9.29 ? 442 THR A N 1 ATOM 6334 C CA . THR A 1 442 ? 15.230 -12.779 -9.423 1.00 9.83 ? 442 THR A CA 1 ATOM 6335 C C . THR A 1 442 ? 14.641 -13.348 -8.151 1.00 9.76 ? 442 THR A C 1 ATOM 6336 O O . THR A 1 442 ? 15.238 -13.313 -7.077 1.00 10.57 ? 442 THR A O 1 ATOM 6337 C CB . THR A 1 442 ? 16.247 -13.734 -10.038 1.00 10.94 ? 442 THR A CB 1 ATOM 6338 O OG1 . THR A 1 442 ? 16.830 -13.098 -11.190 1.00 12.02 ? 442 THR A OG1 1 ATOM 6339 C CG2 . THR A 1 442 ? 15.604 -15.031 -10.501 1.00 14.50 ? 442 THR A CG2 1 ATOM 6340 H H . THR A 1 442 ? 16.653 -11.557 -8.515 1.00 13.30 ? 442 THR A H 1 ATOM 6341 H HA . THR A 1 442 ? 14.510 -12.657 -10.071 1.00 10.45 ? 442 THR A HA 1 ATOM 6342 H HB . THR A 1 442 ? 16.939 -13.940 -9.391 1.00 11.24 ? 442 THR A HB 1 ATOM 6343 H HG21 . THR A 1 442 ? 15.207 -15.494 -9.761 1.00 14.94 ? 442 THR A HG21 1 ATOM 6344 H HG22 . THR A 1 442 ? 16.266 -15.598 -10.902 1.00 14.94 ? 442 THR A HG22 1 ATOM 6345 H HG23 . THR A 1 442 ? 14.922 -14.843 -11.150 1.00 14.94 ? 442 THR A HG23 1 ATOM 6346 N N . THR A 1 443 ? 13.459 -13.928 -8.264 1.00 9.83 ? 443 THR A N 1 ATOM 6347 C CA . THR A 1 443 ? 12.789 -14.455 -7.096 1.00 10.11 ? 443 THR A CA 1 ATOM 6348 C C A THR A 1 443 ? 13.091 -15.865 -6.599 0.50 10.29 ? 443 THR A C 1 ATOM 6349 C C B THR A 1 443 ? 13.395 -15.830 -6.827 0.50 12.06 ? 443 THR A C 1 ATOM 6350 O O A THR A 1 443 ? 12.318 -16.824 -6.780 0.50 11.05 ? 443 THR A O 1 ATOM 6351 O O B THR A 1 443 ? 13.223 -16.776 -7.562 0.50 19.70 ? 443 THR A O 1 ATOM 6352 C CB . THR A 1 443 ? 11.312 -14.418 -7.274 1.00 10.21 ? 443 THR A CB 1 ATOM 6353 O OG1 . THR A 1 443 ? 10.990 -14.926 -8.559 1.00 11.08 ? 443 THR A OG1 1 ATOM 6354 C CG2 . THR A 1 443 ? 10.783 -12.987 -7.138 1.00 10.41 ? 443 THR A CG2 1 ATOM 6355 H HA . THR A 1 443 ? 12.988 -13.854 -6.348 1.00 10.61 ? 443 THR A HA 1 ATOM 6356 H HB . THR A 1 443 ? 10.872 -14.952 -6.594 1.00 10.57 ? 443 THR A HB 1 ATOM 6357 H HG21 . THR A 1 443 ? 10.654 -12.765 -6.215 1.00 11.36 ? 443 THR A HG21 1 ATOM 6358 H HG22 . THR A 1 443 ? 9.941 -12.907 -7.594 1.00 11.36 ? 443 THR A HG22 1 ATOM 6359 H HG23 . THR A 1 443 ? 11.402 -12.363 -7.523 1.00 11.36 ? 443 THR A HG23 1 ATOM 6360 N N A ASN A 1 444 ? 14.215 -15.961 -5.925 0.50 9.96 ? 444 ASN A N 1 ATOM 6361 N N B ASN A 1 444 ? 14.234 -15.915 -5.829 0.50 10.32 ? 444 ASN A N 1 ATOM 6362 C CA . ASN A 1 444 ? 14.677 -17.217 -5.368 1.00 11.21 ? 444 ASN A CA 1 ATOM 6363 C C . ASN A 1 444 ? 14.660 -17.253 -3.853 1.00 10.37 ? 444 ASN A C 1 ATOM 6364 O O . ASN A 1 444 ? 15.398 -18.025 -3.262 1.00 13.46 ? 444 ASN A O 1 ATOM 6365 C CB . ASN A 1 444 ? 16.068 -17.604 -5.932 1.00 14.78 ? 444 ASN A CB 1 ATOM 6366 C CG . ASN A 1 444 ? 16.154 -17.572 -7.481 1.00 21.45 ? 444 ASN A CG 1 ATOM 6367 O OD1 . ASN A 1 444 ? 15.502 -18.369 -8.153 1.00 31.99 ? 444 ASN A OD1 1 ATOM 6368 N ND2 . ASN A 1 444 ? 16.938 -16.593 -8.054 1.00 29.45 ? 444 ASN A ND2 1 ATOM 6369 H HA . ASN A 1 444 ? 14.065 -17.928 -5.650 1.00 11.47 ? 444 ASN A HA 1 ATOM 6370 H HB2 . ASN A 1 444 ? 16.730 -16.987 -5.584 1.00 16.00 ? 444 ASN A HB2 1 ATOM 6371 H HB3 . ASN A 1 444 ? 16.281 -18.507 -5.650 1.00 16.00 ? 444 ASN A HB3 1 ATOM 6372 N N . ASN A 1 445 ? 13.756 -16.503 -3.249 1.00 8.98 ? 445 ASN A N 1 ATOM 6373 C CA . ASN A 1 445 ? 13.729 -16.386 -1.811 1.00 8.78 ? 445 ASN A CA 1 ATOM 6374 C C . ASN A 1 445 ? 12.306 -16.297 -1.336 1.00 8.88 ? 445 ASN A C 1 ATOM 6375 O O . ASN A 1 445 ? 11.774 -15.212 -1.133 1.00 8.74 ? 445 ASN A O 1 ATOM 6376 C CB . ASN A 1 445 ? 14.547 -15.146 -1.370 1.00 8.81 ? 445 ASN A CB 1 ATOM 6377 C CG . ASN A 1 445 ? 14.752 -15.106 0.116 1.00 8.22 ? 445 ASN A CG 1 ATOM 6378 O OD1 . ASN A 1 445 ? 14.451 -16.053 0.825 1.00 9.14 ? 445 ASN A OD1 1 ATOM 6379 N ND2 . ASN A 1 445 ? 15.319 -14.020 0.598 1.00 8.15 ? 445 ASN A ND2 1 ATOM 6380 H H . ASN A 1 445 ? 13.024 -15.982 -3.707 1.00 9.34 ? 445 ASN A H 1 ATOM 6381 H HA . ASN A 1 445 ? 14.140 -17.176 -1.403 1.00 9.04 ? 445 ASN A HA 1 ATOM 6382 H HB2 . ASN A 1 445 ? 15.421 -15.182 -1.790 1.00 8.87 ? 445 ASN A HB2 1 ATOM 6383 H HB3 . ASN A 1 445 ? 14.085 -14.336 -1.638 1.00 8.87 ? 445 ASN A HB3 1 ATOM 6384 H HD21 . ASN A 1 445 ? 15.412 -13.906 1.567 1.00 8.48 ? 445 ASN A HD21 1 ATOM 6385 H HD22 . ASN A 1 445 ? 15.649 -13.326 -0.010 1.00 8.48 ? 445 ASN A HD22 1 ATOM 6386 N N . PRO A 1 446 ? 11.646 -17.422 -1.150 1.00 9.60 ? 446 PRO A N 1 ATOM 6387 C CA . PRO A 1 446 ? 10.251 -17.368 -0.780 1.00 9.97 ? 446 PRO A CA 1 ATOM 6388 C C . PRO A 1 446 ? 9.994 -16.669 0.544 1.00 9.36 ? 446 PRO A C 1 ATOM 6389 O O . PRO A 1 446 ? 10.643 -16.952 1.548 1.00 10.12 ? 446 PRO A O 1 ATOM 6390 C CB . PRO A 1 446 ? 9.862 -18.838 -0.654 1.00 11.64 ? 446 PRO A CB 1 ATOM 6391 C CG . PRO A 1 446 ? 10.761 -19.505 -1.642 1.00 12.11 ? 446 PRO A CG 1 ATOM 6392 C CD . PRO A 1 446 ? 12.100 -18.790 -1.478 1.00 10.62 ? 446 PRO A CD 1 ATOM 6393 H HA . PRO A 1 446 ? 9.726 -16.950 -1.493 1.00 11.52 ? 446 PRO A HA 1 ATOM 6394 H HB2 . PRO A 1 446 ? 10.035 -19.163 0.243 1.00 11.25 ? 446 PRO A HB2 1 ATOM 6395 H HB3 . PRO A 1 446 ? 8.930 -18.957 -0.895 1.00 11.25 ? 446 PRO A HB3 1 ATOM 6396 H HG2 . PRO A 1 446 ? 10.844 -20.446 -1.429 1.00 13.52 ? 446 PRO A HG2 1 ATOM 6397 H HG3 . PRO A 1 446 ? 10.412 -19.380 -2.536 1.00 13.63 ? 446 PRO A HG3 1 ATOM 6398 H HD2 . PRO A 1 446 ? 12.606 -19.171 -0.744 1.00 11.37 ? 446 PRO A HD2 1 ATOM 6399 H HD3 . PRO A 1 446 ? 12.596 -18.807 -2.311 1.00 11.37 ? 446 PRO A HD3 1 ATOM 6400 N N . GLY A 1 447 ? 8.982 -15.815 0.542 1.00 9.04 ? 447 GLY A N 1 ATOM 6401 C CA . GLY A 1 447 ? 8.530 -15.151 1.731 1.00 9.20 ? 447 GLY A CA 1 ATOM 6402 C C . GLY A 1 447 ? 8.045 -13.765 1.442 1.00 8.28 ? 447 GLY A C 1 ATOM 6403 O O . GLY A 1 447 ? 8.259 -13.220 0.356 1.00 8.38 ? 447 GLY A O 1 ATOM 6404 H H . GLY A 1 447 ? 8.453 -15.567 -0.282 1.00 11.52 ? 447 GLY A H 1 ATOM 6405 H HA2 . GLY A 1 447 ? 7.805 -15.666 2.118 1.00 8.84 ? 447 GLY A HA2 1 ATOM 6406 H HA3 . GLY A 1 447 ? 9.247 -15.090 2.381 1.00 8.84 ? 447 GLY A HA3 1 ATOM 6407 N N . PRO A 1 448 ? 7.378 -13.161 2.444 1.00 7.95 ? 448 PRO A N 1 ATOM 6408 C CA . PRO A 1 448 ? 6.907 -11.777 2.282 1.00 7.59 ? 448 PRO A CA 1 ATOM 6409 C C . PRO A 1 448 ? 8.020 -10.794 2.607 1.00 7.18 ? 448 PRO A C 1 ATOM 6410 O O . PRO A 1 448 ? 8.516 -10.763 3.736 1.00 7.57 ? 448 PRO A O 1 ATOM 6411 C CB . PRO A 1 448 ? 5.762 -11.699 3.276 1.00 8.37 ? 448 PRO A CB 1 ATOM 6412 C CG . PRO A 1 448 ? 6.100 -12.715 4.343 1.00 8.18 ? 448 PRO A CG 1 ATOM 6413 C CD . PRO A 1 448 ? 6.736 -13.841 3.585 1.00 8.72 ? 448 PRO A CD 1 ATOM 6414 H HA . PRO A 1 448 ? 6.559 -11.625 1.382 1.00 8.53 ? 448 PRO A HA 1 ATOM 6415 H HB2 . PRO A 1 448 ? 5.711 -10.807 3.655 1.00 8.37 ? 448 PRO A HB2 1 ATOM 6416 H HB3 . PRO A 1 448 ? 4.931 -11.931 2.834 1.00 8.37 ? 448 PRO A HB3 1 ATOM 6417 H HG2 . PRO A 1 448 ? 6.723 -12.332 4.980 1.00 8.26 ? 448 PRO A HG2 1 ATOM 6418 H HG3 . PRO A 1 448 ? 5.289 -13.011 4.785 1.00 8.26 ? 448 PRO A HG3 1 ATOM 6419 H HD2 . PRO A 1 448 ? 7.392 -14.295 4.129 1.00 8.69 ? 448 PRO A HD2 1 ATOM 6420 H HD3 . PRO A 1 448 ? 6.056 -14.456 3.268 1.00 8.69 ? 448 PRO A HD3 1 ATOM 6421 N N . TRP A 1 449 ? 8.367 -10.010 1.617 1.00 7.10 ? 449 TRP A N 1 ATOM 6422 C CA . TRP A 1 449 ? 9.475 -9.065 1.703 1.00 6.81 ? 449 TRP A CA 1 ATOM 6423 C C . TRP A 1 449 ? 8.963 -7.663 1.577 1.00 6.74 ? 449 TRP A C 1 ATOM 6424 O O . TRP A 1 449 ? 8.312 -7.292 0.598 1.00 7.25 ? 449 TRP A O 1 ATOM 6425 C CB . TRP A 1 449 ? 10.506 -9.353 0.645 1.00 7.17 ? 449 TRP A CB 1 ATOM 6426 C CG . TRP A 1 449 ? 11.070 -10.742 0.748 1.00 7.52 ? 449 TRP A CG 1 ATOM 6427 C CD1 . TRP A 1 449 ? 10.928 -11.706 -0.176 1.00 8.34 ? 449 TRP A CD1 1 ATOM 6428 C CD2 . TRP A 1 449 ? 11.753 -11.344 1.863 1.00 7.42 ? 449 TRP A CD2 1 ATOM 6429 N NE1 . TRP A 1 449 ? 11.478 -12.863 0.275 1.00 8.61 ? 449 TRP A NE1 1 ATOM 6430 C CE2 . TRP A 1 449 ? 11.985 -12.668 1.525 1.00 8.09 ? 449 TRP A CE2 1 ATOM 6431 C CE3 . TRP A 1 449 ? 12.220 -10.878 3.081 1.00 7.64 ? 449 TRP A CE3 1 ATOM 6432 C CZ2 . TRP A 1 449 ? 12.647 -13.551 2.354 1.00 8.75 ? 449 TRP A CZ2 1 ATOM 6433 C CZ3 . TRP A 1 449 ? 12.920 -11.726 3.900 1.00 7.75 ? 449 TRP A CZ3 1 ATOM 6434 C CH2 . TRP A 1 449 ? 13.115 -13.067 3.534 1.00 8.12 ? 449 TRP A CH2 1 ATOM 6435 H H . TRP A 1 449 ? 7.904 -9.991 0.720 1.00 8.53 ? 449 TRP A H 1 ATOM 6436 H HA . TRP A 1 449 ? 9.922 -9.159 2.567 1.00 9.14 ? 449 TRP A HA 1 ATOM 6437 H HB2 . TRP A 1 449 ? 10.098 -9.258 -0.230 1.00 7.43 ? 449 TRP A HB2 1 ATOM 6438 H HB3 . TRP A 1 449 ? 11.235 -8.723 0.741 1.00 7.43 ? 449 TRP A HB3 1 ATOM 6439 H HD1 . TRP A 1 449 ? 10.466 -11.612 -0.977 1.00 8.14 ? 449 TRP A HD1 1 ATOM 6440 H HE1 . TRP A 1 449 ? 11.486 -13.609 -0.153 1.00 8.14 ? 449 TRP A HE1 1 ATOM 6441 H HE3 . TRP A 1 449 ? 12.068 -9.997 3.337 1.00 8.14 ? 449 TRP A HE3 1 ATOM 6442 H HZ2 . TRP A 1 449 ? 12.827 -14.422 2.087 1.00 8.14 ? 449 TRP A HZ2 1 ATOM 6443 H HZ3 . TRP A 1 449 ? 13.195 -11.433 4.739 1.00 8.14 ? 449 TRP A HZ3 1 ATOM 6444 H HH2 . TRP A 1 449 ? 13.572 -13.636 4.111 1.00 8.14 ? 449 TRP A HH2 1 ATOM 6445 N N . PHE A 1 450 ? 9.262 -6.849 2.566 1.00 6.83 ? 450 PHE A N 1 ATOM 6446 C CA . PHE A 1 450 ? 8.838 -5.467 2.559 1.00 6.82 ? 450 PHE A CA 1 ATOM 6447 C C . PHE A 1 450 ? 9.582 -4.687 1.495 1.00 6.72 ? 450 PHE A C 1 ATOM 6448 O O . PHE A 1 450 ? 10.774 -4.857 1.320 1.00 7.67 ? 450 PHE A O 1 ATOM 6449 C CB . PHE A 1 450 ? 9.097 -4.893 3.950 1.00 7.34 ? 450 PHE A CB 1 ATOM 6450 C CG . PHE A 1 450 ? 8.055 -4.021 4.558 1.00 7.06 ? 450 PHE A CG 1 ATOM 6451 C CD1 . PHE A 1 450 ? 6.839 -3.704 3.972 1.00 7.42 ? 450 PHE A CD1 1 ATOM 6452 C CD2 . PHE A 1 450 ? 8.268 -3.566 5.839 1.00 8.52 ? 450 PHE A CD2 1 ATOM 6453 C CE1 . PHE A 1 450 ? 5.911 -2.960 4.670 1.00 7.97 ? 450 PHE A CE1 1 ATOM 6454 C CE2 . PHE A 1 450 ? 7.321 -2.838 6.502 1.00 10.04 ? 450 PHE A CE2 1 ATOM 6455 C CZ . PHE A 1 450 ? 6.153 -2.529 5.917 1.00 8.87 ? 450 PHE A CZ 1 ATOM 6456 H H . PHE A 1 450 ? 9.804 -7.121 3.373 1.00 9.14 ? 450 PHE A H 1 ATOM 6457 H HA . PHE A 1 450 ? 7.881 -5.437 2.364 1.00 8.29 ? 450 PHE A HA 1 ATOM 6458 H HB2 . PHE A 1 450 ? 9.226 -5.624 4.573 1.00 9.11 ? 450 PHE A HB2 1 ATOM 6459 H HB3 . PHE A 1 450 ? 9.911 -4.366 3.914 1.00 9.11 ? 450 PHE A HB3 1 ATOM 6460 H HD1 . PHE A 1 450 ? 6.631 -4.002 3.120 1.00 8.29 ? 450 PHE A HD1 1 ATOM 6461 H HD2 . PHE A 1 450 ? 9.059 -3.787 6.275 1.00 8.29 ? 450 PHE A HD2 1 ATOM 6462 H HE1 . PHE A 1 450 ? 5.107 -2.737 4.260 1.00 8.29 ? 450 PHE A HE1 1 ATOM 6463 H HE2 . PHE A 1 450 ? 7.498 -2.528 7.361 1.00 8.29 ? 450 PHE A HE2 1 ATOM 6464 H HZ . PHE A 1 450 ? 5.529 -2.002 6.362 1.00 8.29 ? 450 PHE A HZ 1 ATOM 6465 N N . LEU A 1 451 ? 8.882 -3.776 0.839 1.00 6.62 ? 451 LEU A N 1 ATOM 6466 C CA . LEU A 1 451 ? 9.445 -2.788 -0.057 1.00 6.85 ? 451 LEU A CA 1 ATOM 6467 C C . LEU A 1 451 ? 8.922 -1.449 0.413 1.00 6.71 ? 451 LEU A C 1 ATOM 6468 O O . LEU A 1 451 ? 7.715 -1.225 0.452 1.00 7.60 ? 451 LEU A O 1 ATOM 6469 C CB . LEU A 1 451 ? 8.976 -3.004 -1.495 1.00 7.48 ? 451 LEU A CB 1 ATOM 6470 C CG . LEU A 1 451 ? 9.459 -1.929 -2.451 1.00 7.76 ? 451 LEU A CG 1 ATOM 6471 C CD1 . LEU A 1 451 ? 10.922 -2.000 -2.730 1.00 8.84 ? 451 LEU A CD1 1 ATOM 6472 C CD2 . LEU A 1 451 ? 8.686 -1.960 -3.759 1.00 11.30 ? 451 LEU A CD2 1 ATOM 6473 H H . LEU A 1 451 ? 7.877 -3.701 0.911 1.00 8.29 ? 451 LEU A H 1 ATOM 6474 H HA . LEU A 1 451 ? 10.421 -2.798 -0.027 1.00 9.42 ? 451 LEU A HA 1 ATOM 6475 H HB2 . LEU A 1 451 ? 9.315 -3.857 -1.810 1.00 9.42 ? 451 LEU A HB2 1 ATOM 6476 H HB3 . LEU A 1 451 ? 8.007 -3.009 -1.513 1.00 9.42 ? 451 LEU A HB3 1 ATOM 6477 H HG . LEU A 1 451 ? 9.291 -1.060 -2.058 1.00 8.12 ? 451 LEU A HG 1 ATOM 6478 H HD11 . LEU A 1 451 ? 11.401 -1.763 -1.936 1.00 9.42 ? 451 LEU A HD11 1 ATOM 6479 H HD12 . LEU A 1 451 ? 11.141 -1.388 -3.436 1.00 9.42 ? 451 LEU A HD12 1 ATOM 6480 H HD13 . LEU A 1 451 ? 11.147 -2.896 -2.993 1.00 9.42 ? 451 LEU A HD13 1 ATOM 6481 H HD21 . LEU A 1 451 ? 8.825 -2.810 -4.183 1.00 9.42 ? 451 LEU A HD21 1 ATOM 6482 H HD22 . LEU A 1 451 ? 9.002 -1.254 -4.328 1.00 9.42 ? 451 LEU A HD22 1 ATOM 6483 H HD23 . LEU A 1 451 ? 7.754 -1.835 -3.574 1.00 9.42 ? 451 LEU A HD23 1 ATOM 6484 N N . HIS A 1 452 ? 9.815 -0.541 0.763 1.00 6.42 ? 452 HIS A N 1 ATOM 6485 C CA . HIS A 1 452 ? 9.348 0.708 1.318 1.00 6.74 ? 452 HIS A CA 1 ATOM 6486 C C . HIS A 1 452 ? 10.397 1.768 1.199 1.00 6.14 ? 452 HIS A C 1 ATOM 6487 O O . HIS A 1 452 ? 11.579 1.508 1.113 1.00 6.60 ? 452 HIS A O 1 ATOM 6488 C CB . HIS A 1 452 ? 8.926 0.547 2.763 1.00 7.74 ? 452 HIS A CB 1 ATOM 6489 C CG . HIS A 1 452 ? 10.007 0.101 3.688 1.00 7.78 ? 452 HIS A CG 1 ATOM 6490 N ND1 . HIS A 1 452 ? 10.833 0.978 4.336 1.00 7.79 ? 452 HIS A ND1 1 ATOM 6491 C CD2 . HIS A 1 452 ? 10.386 -1.118 4.103 1.00 8.67 ? 452 HIS A CD2 1 ATOM 6492 C CE1 . HIS A 1 452 ? 11.676 0.290 5.103 1.00 8.77 ? 452 HIS A CE1 1 ATOM 6493 N NE2 . HIS A 1 452 ? 11.427 -0.995 4.997 1.00 9.58 ? 452 HIS A NE2 1 ATOM 6494 H H . HIS A 1 452 ? 10.818 -0.637 0.681 1.00 9.42 ? 452 HIS A H 1 ATOM 6495 H HA . HIS A 1 452 ? 8.568 1.016 0.811 1.00 6.88 ? 452 HIS A HA 1 ATOM 6496 H HB2 . HIS A 1 452 ? 8.602 1.401 3.088 1.00 9.28 ? 452 HIS A HB2 1 ATOM 6497 H HB3 . HIS A 1 452 ? 8.216 -0.110 2.812 1.00 9.28 ? 452 HIS A HB3 1 ATOM 6498 H HD1 . HIS A 1 452 ? 10.811 1.832 4.263 1.00 8.21 ? 452 HIS A HD1 1 ATOM 6499 H HD2 . HIS A 1 452 ? 9.998 -1.920 3.838 1.00 8.75 ? 452 HIS A HD2 1 ATOM 6500 H HE1 . HIS A 1 452 ? 12.337 0.663 5.639 1.00 8.21 ? 452 HIS A HE1 1 ATOM 6501 N N . CYS A 1 453 ? 9.939 3.002 1.290 1.00 6.77 ? 453 CYS A N 1 ATOM 6502 C CA . CYS A 1 453 ? 10.846 4.102 1.520 1.00 6.63 ? 453 CYS A CA 1 ATOM 6503 C C . CYS A 1 453 ? 11.490 3.952 2.892 1.00 6.22 ? 453 CYS A C 1 ATOM 6504 O O . CYS A 1 453 ? 10.768 3.696 3.854 1.00 6.97 ? 453 CYS A O 1 ATOM 6505 C CB . CYS A 1 453 ? 10.132 5.406 1.417 1.00 7.18 ? 453 CYS A CB 1 ATOM 6506 S SG . CYS A 1 453 ? 11.303 6.769 1.661 1.00 7.50 ? 453 CYS A SG 1 ATOM 6507 H H . CYS A 1 453 ? 8.967 3.265 1.211 1.00 6.88 ? 453 CYS A H 1 ATOM 6508 H HA . CYS A 1 453 ? 11.551 4.091 0.840 1.00 6.69 ? 453 CYS A HA 1 ATOM 6509 H HB2 . CYS A 1 453 ? 9.739 5.492 0.534 1.00 7.57 ? 453 CYS A HB2 1 ATOM 6510 H HB3 . CYS A 1 453 ? 9.448 5.459 2.102 1.00 7.57 ? 453 CYS A HB3 1 ATOM 6511 N N . HIS A 1 454 ? 12.792 4.124 2.983 1.00 6.31 ? 454 HIS A N 1 ATOM 6512 C CA . HIS A 1 454 ? 13.469 3.981 4.252 1.00 6.69 ? 454 HIS A CA 1 ATOM 6513 C C . HIS A 1 454 ? 13.549 5.257 5.035 1.00 7.44 ? 454 HIS A C 1 ATOM 6514 O O . HIS A 1 454 ? 14.114 5.249 6.111 1.00 10.03 ? 454 HIS A O 1 ATOM 6515 C CB . HIS A 1 454 ? 14.853 3.349 4.052 1.00 6.58 ? 454 HIS A CB 1 ATOM 6516 C CG . HIS A 1 454 ? 15.244 2.450 5.169 1.00 6.63 ? 454 HIS A CG 1 ATOM 6517 N ND1 . HIS A 1 454 ? 15.428 2.861 6.455 1.00 6.66 ? 454 HIS A ND1 1 ATOM 6518 C CD2 . HIS A 1 454 ? 15.537 1.123 5.175 1.00 6.72 ? 454 HIS A CD2 1 ATOM 6519 C CE1 . HIS A 1 454 ? 15.765 1.802 7.194 1.00 6.46 ? 454 HIS A CE1 1 ATOM 6520 N NE2 . HIS A 1 454 ? 15.855 0.724 6.444 1.00 7.04 ? 454 HIS A NE2 1 ATOM 6521 H H . HIS A 1 454 ? 13.397 4.363 2.211 1.00 6.69 ? 454 HIS A H 1 ATOM 6522 H HA . HIS A 1 454 ? 12.960 3.351 4.804 1.00 6.77 ? 454 HIS A HA 1 ATOM 6523 H HB2 . HIS A 1 454 ? 14.846 2.821 3.238 1.00 6.69 ? 454 HIS A HB2 1 ATOM 6524 H HB3 . HIS A 1 454 ? 15.520 4.051 3.984 1.00 6.69 ? 454 HIS A HB3 1 ATOM 6525 H HD1 . HIS A 1 454 ? 15.305 3.660 6.749 1.00 6.79 ? 454 HIS A HD1 1 ATOM 6526 H HD2 . HIS A 1 454 ? 15.503 0.566 4.432 1.00 7.96 ? 454 HIS A HD2 1 ATOM 6527 H HE1 . HIS A 1 454 ? 15.944 1.828 8.106 1.00 6.79 ? 454 HIS A HE1 1 ATOM 6528 N N . ILE A 1 455 ? 12.891 6.313 4.592 1.00 6.94 ? 455 ILE A N 1 ATOM 6529 C CA . ILE A 1 455 ? 12.659 7.450 5.458 1.00 7.00 ? 455 ILE A CA 1 ATOM 6530 C C . ILE A 1 455 ? 11.542 6.996 6.377 1.00 7.30 ? 455 ILE A C 1 ATOM 6531 O O . ILE A 1 455 ? 10.417 6.720 5.972 1.00 7.78 ? 455 ILE A O 1 ATOM 6532 C CB . ILE A 1 455 ? 12.287 8.711 4.661 1.00 7.41 ? 455 ILE A CB 1 ATOM 6533 C CG1 . ILE A 1 455 ? 13.487 9.130 3.847 1.00 7.80 ? 455 ILE A CG1 1 ATOM 6534 C CG2 . ILE A 1 455 ? 11.816 9.803 5.616 1.00 7.43 ? 455 ILE A CG2 1 ATOM 6535 C CD1 . ILE A 1 455 ? 13.166 10.172 2.798 1.00 8.30 ? 455 ILE A CD1 1 ATOM 6536 H H . ILE A 1 455 ? 12.520 6.422 3.660 1.00 8.71 ? 455 ILE A H 1 ATOM 6537 H HA . ILE A 1 455 ? 13.462 7.646 5.983 1.00 11.41 ? 455 ILE A HA 1 ATOM 6538 H HB . ILE A 1 455 ? 11.557 8.497 4.060 1.00 8.71 ? 455 ILE A HB 1 ATOM 6539 H HG12 . ILE A 1 455 ? 14.153 9.508 4.440 1.00 8.70 ? 455 ILE A HG12 1 ATOM 6540 H HG13 . ILE A 1 455 ? 13.855 8.358 3.395 1.00 8.70 ? 455 ILE A HG13 1 ATOM 6541 H HG21 . ILE A 1 455 ? 10.878 9.692 5.783 1.00 8.71 ? 455 ILE A HG21 1 ATOM 6542 H HG22 . ILE A 1 455 ? 11.970 10.663 5.219 1.00 8.71 ? 455 ILE A HG22 1 ATOM 6543 H HG23 . ILE A 1 455 ? 12.306 9.738 6.440 1.00 8.71 ? 455 ILE A HG23 1 ATOM 6544 H HD11 . ILE A 1 455 ? 12.310 9.976 2.411 1.00 8.72 ? 455 ILE A HD11 1 ATOM 6545 H HD12 . ILE A 1 455 ? 13.844 10.149 2.120 1.00 8.72 ? 455 ILE A HD12 1 ATOM 6546 H HD13 . ILE A 1 455 ? 13.147 11.038 3.213 1.00 8.72 ? 455 ILE A HD13 1 ATOM 6547 N N . ASP A 1 456 ? 11.871 6.849 7.665 1.00 8.32 ? 456 ASP A N 1 ATOM 6548 C CA . ASP A 1 456 ? 11.000 6.114 8.561 1.00 9.24 ? 456 ASP A CA 1 ATOM 6549 C C . ASP A 1 456 ? 9.676 6.820 8.718 1.00 8.68 ? 456 ASP A C 1 ATOM 6550 O O . ASP A 1 456 ? 8.623 6.183 8.875 1.00 9.56 ? 456 ASP A O 1 ATOM 6551 C CB . ASP A 1 456 ? 11.687 5.877 9.887 1.00 12.31 ? 456 ASP A CB 1 ATOM 6552 C CG . ASP A 1 456 ? 11.323 4.521 10.481 1.00 11.17 ? 456 ASP A CG 1 ATOM 6553 O OD1 . ASP A 1 456 ? 11.087 3.540 9.756 1.00 12.78 ? 456 ASP A OD1 1 ATOM 6554 O OD2 . ASP A 1 456 ? 11.326 4.428 11.720 1.00 14.07 ? 456 ASP A OD2 1 ATOM 6555 H H . ASP A 1 456 ? 12.704 7.229 8.091 1.00 11.41 ? 456 ASP A H 1 ATOM 6556 H HA . ASP A 1 456 ? 10.815 5.244 8.151 1.00 9.47 ? 456 ASP A HA 1 ATOM 6557 H HB2 . ASP A 1 456 ? 12.649 5.891 9.766 1.00 11.41 ? 456 ASP A HB2 1 ATOM 6558 H HB3 . ASP A 1 456 ? 11.421 6.565 10.518 1.00 11.41 ? 456 ASP A HB3 1 ATOM 6559 N N . TRP A 1 457 ? 9.692 8.141 8.644 1.00 8.95 ? 457 TRP A N 1 ATOM 6560 C CA . TRP A 1 457 ? 8.491 8.905 8.703 1.00 10.17 ? 457 TRP A CA 1 ATOM 6561 C C . TRP A 1 457 ? 7.549 8.638 7.541 1.00 9.88 ? 457 TRP A C 1 ATOM 6562 O O . TRP A 1 457 ? 6.326 8.710 7.655 1.00 12.19 ? 457 TRP A O 1 ATOM 6563 C CB . TRP A 1 457 ? 8.836 10.416 8.805 1.00 11.76 ? 457 TRP A CB 1 ATOM 6564 C CG . TRP A 1 457 ? 9.957 10.731 9.767 1.00 10.55 ? 457 TRP A CG 1 ATOM 6565 C CD1 . TRP A 1 457 ? 11.200 11.190 9.472 1.00 12.16 ? 457 TRP A CD1 1 ATOM 6566 C CD2 . TRP A 1 457 ? 9.927 10.512 11.184 1.00 11.16 ? 457 TRP A CD2 1 ATOM 6567 N NE1 . TRP A 1 457 ? 11.965 11.299 10.634 1.00 11.80 ? 457 TRP A NE1 1 ATOM 6568 C CE2 . TRP A 1 457 ? 11.204 10.922 11.694 1.00 10.84 ? 457 TRP A CE2 1 ATOM 6569 C CE3 . TRP A 1 457 ? 8.967 10.109 12.076 1.00 12.22 ? 457 TRP A CE3 1 ATOM 6570 C CZ2 . TRP A 1 457 ? 11.520 10.872 13.009 1.00 12.26 ? 457 TRP A CZ2 1 ATOM 6571 C CZ3 . TRP A 1 457 ? 9.284 10.078 13.406 1.00 13.91 ? 457 TRP A CZ3 1 ATOM 6572 C CH2 . TRP A 1 457 ? 10.564 10.444 13.858 1.00 13.57 ? 457 TRP A CH2 1 ATOM 6573 H H . TRP A 1 457 ? 10.532 8.686 8.528 1.00 9.20 ? 457 TRP A H 1 ATOM 6574 H HA . TRP A 1 457 ? 8.013 8.666 9.524 1.00 10.17 ? 457 TRP A HA 1 ATOM 6575 H HB2 . TRP A 1 457 ? 9.101 10.735 7.929 1.00 11.52 ? 457 TRP A HB2 1 ATOM 6576 H HB3 . TRP A 1 457 ? 8.047 10.895 9.104 1.00 11.52 ? 457 TRP A HB3 1 ATOM 6577 H HD1 . TRP A 1 457 ? 11.505 11.378 8.614 1.00 8.68 ? 457 TRP A HD1 1 ATOM 6578 H HE1 . TRP A 1 457 ? 12.776 11.581 10.675 1.00 8.68 ? 457 TRP A HE1 1 ATOM 6579 H HE3 . TRP A 1 457 ? 8.125 9.846 11.782 1.00 8.68 ? 457 TRP A HE3 1 ATOM 6580 H HZ2 . TRP A 1 457 ? 12.357 11.136 13.312 1.00 8.68 ? 457 TRP A HZ2 1 ATOM 6581 H HZ3 . TRP A 1 457 ? 8.654 9.773 14.018 1.00 8.68 ? 457 TRP A HZ3 1 ATOM 6582 H HH2 . TRP A 1 457 ? 10.748 10.411 14.768 1.00 8.68 ? 457 TRP A HH2 1 ATOM 6583 N N . HIS A 1 458 ? 8.128 8.316 6.397 1.00 8.35 ? 458 HIS A N 1 ATOM 6584 C CA . HIS A 1 458 ? 7.372 7.999 5.200 1.00 7.99 ? 458 HIS A CA 1 ATOM 6585 C C . HIS A 1 458 ? 6.808 6.599 5.224 1.00 7.73 ? 458 HIS A C 1 ATOM 6586 O O . HIS A 1 458 ? 5.680 6.364 4.856 1.00 8.52 ? 458 HIS A O 1 ATOM 6587 C CB . HIS A 1 458 ? 8.207 8.210 3.959 1.00 7.87 ? 458 HIS A CB 1 ATOM 6588 C CG . HIS A 1 458 ? 8.689 9.588 3.781 1.00 7.51 ? 458 HIS A CG 1 ATOM 6589 N ND1 . HIS A 1 458 ? 9.507 9.933 2.725 1.00 7.54 ? 458 HIS A ND1 1 ATOM 6590 C CD2 . HIS A 1 458 ? 8.430 10.702 4.499 1.00 8.24 ? 458 HIS A CD2 1 ATOM 6591 C CE1 . HIS A 1 458 ? 9.729 11.205 2.828 1.00 8.17 ? 458 HIS A CE1 1 ATOM 6592 N NE2 . HIS A 1 458 ? 9.092 11.717 3.882 1.00 8.51 ? 458 HIS A NE2 1 ATOM 6593 H H . HIS A 1 458 ? 9.125 8.271 6.263 1.00 8.71 ? 458 HIS A H 1 ATOM 6594 H HA . HIS A 1 458 ? 6.612 8.614 5.137 1.00 8.10 ? 458 HIS A HA 1 ATOM 6595 H HB2 . HIS A 1 458 ? 8.980 7.627 3.994 1.00 8.72 ? 458 HIS A HB2 1 ATOM 6596 H HB3 . HIS A 1 458 ? 7.668 7.987 3.183 1.00 8.72 ? 458 HIS A HB3 1 ATOM 6597 H HD2 . HIS A 1 458 ? 7.899 10.767 5.258 1.00 8.51 ? 458 HIS A HD2 1 ATOM 6598 H HE1 . HIS A 1 458 ? 10.261 11.693 2.248 1.00 8.51 ? 458 HIS A HE1 1 ATOM 6599 H HE2 . HIS A 1 458 ? 9.114 12.537 4.139 1.00 8.51 ? 458 HIS A HE2 1 ATOM 6600 N N . LEU A 1 459 ? 7.603 5.660 5.715 1.00 8.14 ? 459 LEU A N 1 ATOM 6601 C CA . LEU A 1 459 ? 7.089 4.320 5.971 1.00 8.07 ? 459 LEU A CA 1 ATOM 6602 C C . LEU A 1 459 ? 5.890 4.395 6.886 1.00 8.18 ? 459 LEU A C 1 ATOM 6603 O O . LEU A 1 459 ? 4.851 3.799 6.643 1.00 9.24 ? 459 LEU A O 1 ATOM 6604 C CB . LEU A 1 459 ? 8.189 3.466 6.546 1.00 8.81 ? 459 LEU A CB 1 ATOM 6605 C CG . LEU A 1 459 ? 7.763 2.115 7.094 1.00 8.73 ? 459 LEU A CG 1 ATOM 6606 C CD1 . LEU A 1 459 ? 7.048 1.277 6.055 1.00 9.54 ? 459 LEU A CD1 1 ATOM 6607 C CD2 . LEU A 1 459 ? 8.953 1.379 7.691 1.00 9.59 ? 459 LEU A CD2 1 ATOM 6608 H H . LEU A 1 459 ? 8.581 5.791 5.932 1.00 8.77 ? 459 LEU A H 1 ATOM 6609 H HA . LEU A 1 459 ? 6.802 3.922 5.123 1.00 9.81 ? 459 LEU A HA 1 ATOM 6610 H HB2 . LEU A 1 459 ? 8.846 3.303 5.851 1.00 8.77 ? 459 LEU A HB2 1 ATOM 6611 H HB3 . LEU A 1 459 ? 8.605 3.951 7.276 1.00 8.77 ? 459 LEU A HB3 1 ATOM 6612 H HG . LEU A 1 459 ? 7.139 2.259 7.821 1.00 9.00 ? 459 LEU A HG 1 ATOM 6613 H HD11 . LEU A 1 459 ? 6.151 1.602 5.953 1.00 9.29 ? 459 LEU A HD11 1 ATOM 6614 H HD12 . LEU A 1 459 ? 7.032 0.362 6.345 1.00 9.29 ? 459 LEU A HD12 1 ATOM 6615 H HD13 . LEU A 1 459 ? 7.518 1.348 5.221 1.00 9.29 ? 459 LEU A HD13 1 ATOM 6616 H HD21 . LEU A 1 459 ? 9.605 1.232 7.003 1.00 9.30 ? 459 LEU A HD21 1 ATOM 6617 H HD22 . LEU A 1 459 ? 8.656 0.538 8.045 1.00 9.30 ? 459 LEU A HD22 1 ATOM 6618 H HD23 . LEU A 1 459 ? 9.330 1.915 8.392 1.00 9.30 ? 459 LEU A HD23 1 ATOM 6619 N N . GLU A 1 460 ? 6.040 5.131 7.980 1.00 9.06 ? 460 GLU A N 1 ATOM 6620 C CA . GLU A 1 460 ? 4.965 5.244 8.953 1.00 10.03 ? 460 GLU A CA 1 ATOM 6621 C C . GLU A 1 460 ? 3.709 5.830 8.323 1.00 10.31 ? 460 GLU A C 1 ATOM 6622 O O . GLU A 1 460 ? 2.587 5.457 8.658 1.00 12.98 ? 460 GLU A O 1 ATOM 6623 C CB . GLU A 1 460 ? 5.442 6.118 10.091 1.00 12.45 ? 460 GLU A CB 1 ATOM 6624 C CG . GLU A 1 460 ? 4.428 6.212 11.248 1.00 17.77 ? 460 GLU A CG 1 ATOM 6625 C CD . GLU A 1 460 ? 4.454 4.980 12.157 0.50 18.14 ? 460 GLU A CD 1 ATOM 6626 O OE1 . GLU A 1 460 ? 4.885 3.895 11.727 0.50 19.90 ? 460 GLU A OE1 1 ATOM 6627 O OE2 . GLU A 1 460 ? 4.074 5.064 13.350 0.50 21.00 ? 460 GLU A OE2 1 ATOM 6628 H H . GLU A 1 460 ? 6.881 5.643 8.210 1.00 12.45 ? 460 GLU A H 1 ATOM 6629 H HA . GLU A 1 460 ? 4.750 4.353 9.297 1.00 12.85 ? 460 GLU A HA 1 ATOM 6630 N N . ALA A 1 461 ? 3.889 6.726 7.364 1.00 9.80 ? 461 ALA A N 1 ATOM 6631 C CA . ALA A 1 461 ? 2.795 7.380 6.661 1.00 10.30 ? 461 ALA A CA 1 ATOM 6632 C C . ALA A 1 461 ? 2.385 6.609 5.413 1.00 9.37 ? 461 ALA A C 1 ATOM 6633 O O . ALA A 1 461 ? 1.562 7.118 4.643 1.00 10.11 ? 461 ALA A O 1 ATOM 6634 C CB . ALA A 1 461 ? 3.150 8.788 6.316 1.00 12.28 ? 461 ALA A CB 1 ATOM 6635 H H . ALA A 1 461 ? 4.795 7.042 7.054 1.00 12.47 ? 461 ALA A H 1 ATOM 6636 H HA . ALA A 1 461 ? 2.014 7.422 7.250 1.00 10.58 ? 461 ALA A HA 1 ATOM 6637 H HB1 . ALA A 1 461 ? 3.360 9.261 7.124 1.00 12.47 ? 461 ALA A HB1 1 ATOM 6638 H HB2 . ALA A 1 461 ? 2.405 9.205 5.880 1.00 12.47 ? 461 ALA A HB2 1 ATOM 6639 H HB3 . ALA A 1 461 ? 3.912 8.785 5.734 1.00 12.47 ? 461 ALA A HB3 1 ATOM 6640 N N . GLY A 1 462 ? 2.822 5.359 5.295 1.00 9.12 ? 462 GLY A N 1 ATOM 6641 C CA . GLY A 1 462 ? 2.185 4.442 4.338 1.00 9.34 ? 462 GLY A CA 1 ATOM 6642 C C . GLY A 1 462 ? 2.987 4.098 3.111 1.00 8.25 ? 462 GLY A C 1 ATOM 6643 O O . GLY A 1 462 ? 2.433 3.460 2.232 1.00 8.52 ? 462 GLY A O 1 ATOM 6644 H H . GLY A 1 462 ? 3.584 4.944 5.803 1.00 7.63 ? 462 GLY A H 1 ATOM 6645 H HA2 . GLY A 1 462 ? 2.007 3.609 4.798 1.00 9.19 ? 462 GLY A HA2 1 ATOM 6646 H HA3 . GLY A 1 462 ? 1.334 4.801 4.046 1.00 9.19 ? 462 GLY A HA3 1 ATOM 6647 N N . PHE A 1 463 ? 4.257 4.486 3.022 1.00 7.82 ? 463 PHE A N 1 ATOM 6648 C CA . PHE A 1 463 ? 4.974 4.354 1.748 1.00 7.59 ? 463 PHE A CA 1 ATOM 6649 C C . PHE A 1 463 ? 5.634 2.974 1.612 1.00 7.16 ? 463 PHE A C 1 ATOM 6650 O O . PHE A 1 463 ? 6.853 2.846 1.697 1.00 7.64 ? 463 PHE A O 1 ATOM 6651 C CB . PHE A 1 463 ? 5.964 5.458 1.612 1.00 7.38 ? 463 PHE A CB 1 ATOM 6652 C CG . PHE A 1 463 ? 6.238 5.973 0.217 1.00 7.29 ? 463 PHE A CG 1 ATOM 6653 C CD1 . PHE A 1 463 ? 5.440 5.674 -0.875 1.00 7.79 ? 463 PHE A CD1 1 ATOM 6654 C CD2 . PHE A 1 463 ? 7.268 6.854 0.021 1.00 7.24 ? 463 PHE A CD2 1 ATOM 6655 C CE1 . PHE A 1 463 ? 5.614 6.251 -2.095 1.00 8.45 ? 463 PHE A CE1 1 ATOM 6656 C CE2 . PHE A 1 463 ? 7.487 7.431 -1.195 1.00 8.00 ? 463 PHE A CE2 1 ATOM 6657 C CZ . PHE A 1 463 ? 6.670 7.136 -2.271 1.00 8.06 ? 463 PHE A CZ 1 ATOM 6658 H H . PHE A 1 463 ? 4.805 4.869 3.779 1.00 7.63 ? 463 PHE A H 1 ATOM 6659 H HA . PHE A 1 463 ? 4.321 4.437 1.027 1.00 12.93 ? 463 PHE A HA 1 ATOM 6660 H HB2 . PHE A 1 463 ? 5.642 6.215 2.124 1.00 7.63 ? 463 PHE A HB2 1 ATOM 6661 H HB3 . PHE A 1 463 ? 6.813 5.176 1.985 1.00 7.63 ? 463 PHE A HB3 1 ATOM 6662 H HD1 . PHE A 1 463 ? 4.706 5.116 -0.769 1.00 12.93 ? 463 PHE A HD1 1 ATOM 6663 H HD2 . PHE A 1 463 ? 7.805 7.093 0.741 1.00 12.93 ? 463 PHE A HD2 1 ATOM 6664 H HE1 . PHE A 1 463 ? 5.071 6.014 -2.811 1.00 12.93 ? 463 PHE A HE1 1 ATOM 6665 H HE2 . PHE A 1 463 ? 8.199 8.015 -1.307 1.00 12.93 ? 463 PHE A HE2 1 ATOM 6666 H HZ . PHE A 1 463 ? 6.851 7.498 -3.107 1.00 12.93 ? 463 PHE A HZ 1 ATOM 6667 N N . ALA A 1 464 ? 4.808 1.963 1.448 1.00 7.61 ? 464 ALA A N 1 ATOM 6668 C CA . ALA A 1 464 ? 5.253 0.583 1.493 1.00 7.63 ? 464 ALA A CA 1 ATOM 6669 C C . ALA A 1 464 ? 4.275 -0.324 0.821 1.00 7.19 ? 464 ALA A C 1 ATOM 6670 O O . ALA A 1 464 ? 3.096 -0.058 0.777 1.00 7.82 ? 464 ALA A O 1 ATOM 6671 C CB . ALA A 1 464 ? 5.435 0.135 2.918 1.00 8.52 ? 464 ALA A CB 1 ATOM 6672 H H . ALA A 1 464 ? 3.818 2.068 1.278 1.00 8.75 ? 464 ALA A H 1 ATOM 6673 H HA . ALA A 1 464 ? 6.112 0.510 1.032 1.00 9.39 ? 464 ALA A HA 1 ATOM 6674 H HB1 . ALA A 1 464 ? 6.051 0.726 3.358 1.00 9.27 ? 464 ALA A HB1 1 ATOM 6675 H HB2 . ALA A 1 464 ? 5.785 -0.759 2.919 1.00 9.26 ? 464 ALA A HB2 1 ATOM 6676 H HB3 . ALA A 1 464 ? 4.586 0.155 3.365 1.00 9.26 ? 464 ALA A HB3 1 ATOM 6677 N N . ILE A 1 465 ? 4.808 -1.460 0.381 1.00 7.58 ? 465 ILE A N 1 ATOM 6678 C CA . ILE A 1 465 ? 4.027 -2.627 -0.030 1.00 7.55 ? 465 ILE A CA 1 ATOM 6679 C C . ILE A 1 465 ? 4.811 -3.835 0.422 1.00 7.14 ? 465 ILE A C 1 ATOM 6680 O O . ILE A 1 465 ? 5.981 -3.750 0.730 1.00 8.40 ? 465 ILE A O 1 ATOM 6681 C CB . ILE A 1 465 ? 3.804 -2.637 -1.542 1.00 9.83 ? 465 ILE A CB 1 ATOM 6682 C CG1 A ILE A 1 465 ? 2.638 -3.340 -2.034 0.50 14.32 ? 465 ILE A CG1 1 ATOM 6683 C CG1 B ILE A 1 465 ? 5.095 -2.520 -2.398 0.50 8.79 ? 465 ILE A CG1 1 ATOM 6684 C CG2 A ILE A 1 465 ? 5.040 -2.963 -2.321 0.50 8.96 ? 465 ILE A CG2 1 ATOM 6685 C CG2 B ILE A 1 465 ? 2.713 -1.749 -2.032 0.50 7.87 ? 465 ILE A CG2 1 ATOM 6686 C CD1 A ILE A 1 465 ? 2.235 -2.706 -3.336 0.50 19.89 ? 465 ILE A CD1 1 ATOM 6687 C CD1 B ILE A 1 465 ? 4.874 -3.165 -3.793 0.50 10.33 ? 465 ILE A CD1 1 ATOM 6688 H H . ILE A 1 465 ? 5.806 -1.603 0.307 1.00 9.39 ? 465 ILE A H 1 ATOM 6689 H HA . ILE A 1 465 ? 3.162 -2.633 0.433 1.00 12.24 ? 465 ILE A HA 1 ATOM 6690 N N . VAL A 1 466 ? 4.162 -4.982 0.394 1.00 7.56 ? 466 VAL A N 1 ATOM 6691 C CA . VAL A 1 466 ? 4.808 -6.241 0.663 1.00 7.30 ? 466 VAL A CA 1 ATOM 6692 C C . VAL A 1 466 ? 4.786 -7.064 -0.594 1.00 7.52 ? 466 VAL A C 1 ATOM 6693 O O . VAL A 1 466 ? 3.741 -7.257 -1.171 1.00 8.67 ? 466 VAL A O 1 ATOM 6694 C CB . VAL A 1 466 ? 4.124 -6.993 1.786 1.00 8.11 ? 466 VAL A CB 1 ATOM 6695 C CG1 . VAL A 1 466 ? 4.716 -8.357 1.987 1.00 9.10 ? 466 VAL A CG1 1 ATOM 6696 C CG2 . VAL A 1 466 ? 4.144 -6.181 3.070 1.00 9.19 ? 466 VAL A CG2 1 ATOM 6697 H H . VAL A 1 466 ? 3.175 -5.075 0.203 1.00 10.72 ? 466 VAL A H 1 ATOM 6698 H HA . VAL A 1 466 ? 5.741 -6.098 0.927 1.00 9.59 ? 466 VAL A HA 1 ATOM 6699 H HB . VAL A 1 466 ? 3.184 -7.120 1.539 1.00 8.41 ? 466 VAL A HB 1 ATOM 6700 H HG11 . VAL A 1 466 ? 4.313 -8.970 1.368 1.00 9.58 ? 466 VAL A HG11 1 ATOM 6701 H HG12 . VAL A 1 466 ? 4.542 -8.650 2.885 1.00 9.58 ? 466 VAL A HG12 1 ATOM 6702 H HG13 . VAL A 1 466 ? 5.664 -8.316 1.840 1.00 9.58 ? 466 VAL A HG13 1 ATOM 6703 H HG21 . VAL A 1 466 ? 5.053 -5.961 3.286 1.00 9.58 ? 466 VAL A HG21 1 ATOM 6704 H HG22 . VAL A 1 466 ? 3.756 -6.701 3.778 1.00 9.58 ? 466 VAL A HG22 1 ATOM 6705 H HG23 . VAL A 1 466 ? 3.634 -5.378 2.943 1.00 9.58 ? 466 VAL A HG23 1 ATOM 6706 N N . PHE A 1 467 ? 5.962 -7.579 -0.968 1.00 7.53 ? 467 PHE A N 1 ATOM 6707 C CA . PHE A 1 467 ? 6.032 -8.564 -2.031 1.00 8.05 ? 467 PHE A CA 1 ATOM 6708 C C . PHE A 1 467 ? 5.937 -9.936 -1.396 1.00 8.44 ? 467 PHE A C 1 ATOM 6709 O O . PHE A 1 467 ? 6.872 -10.377 -0.704 1.00 9.22 ? 467 PHE A O 1 ATOM 6710 C CB . PHE A 1 467 ? 7.315 -8.465 -2.804 1.00 8.98 ? 467 PHE A CB 1 ATOM 6711 C CG . PHE A 1 467 ? 7.389 -7.333 -3.761 1.00 8.85 ? 467 PHE A CG 1 ATOM 6712 C CD1 . PHE A 1 467 ? 6.349 -7.105 -4.654 1.00 12.36 ? 467 PHE A CD1 1 ATOM 6713 C CD2 . PHE A 1 467 ? 8.526 -6.639 -3.912 1.00 11.91 ? 467 PHE A CD2 1 ATOM 6714 C CE1 . PHE A 1 467 ? 6.474 -6.113 -5.609 1.00 12.69 ? 467 PHE A CE1 1 ATOM 6715 C CE2 . PHE A 1 467 ? 8.658 -5.650 -4.848 1.00 12.04 ? 467 PHE A CE2 1 ATOM 6716 C CZ . PHE A 1 467 ? 7.614 -5.330 -5.677 1.00 11.59 ? 467 PHE A CZ 1 ATOM 6717 H H . PHE A 1 467 ? 6.854 -7.338 -0.559 1.00 9.60 ? 467 PHE A H 1 ATOM 6718 H HA . PHE A 1 467 ? 5.283 -8.450 -2.646 1.00 10.77 ? 467 PHE A HA 1 ATOM 6719 H HB2 . PHE A 1 467 ? 8.049 -8.380 -2.176 1.00 9.60 ? 467 PHE A HB2 1 ATOM 6720 H HB3 . PHE A 1 467 ? 7.427 -9.280 -3.320 1.00 9.60 ? 467 PHE A HB3 1 ATOM 6721 H HD1 . PHE A 1 467 ? 5.564 -7.598 -4.603 1.00 10.75 ? 467 PHE A HD1 1 ATOM 6722 H HD2 . PHE A 1 467 ? 9.238 -6.809 -3.339 1.00 9.62 ? 467 PHE A HD2 1 ATOM 6723 H HE1 . PHE A 1 467 ? 5.753 -5.920 -6.164 1.00 10.46 ? 467 PHE A HE1 1 ATOM 6724 H HE2 . PHE A 1 467 ? 9.440 -5.147 -4.879 1.00 9.89 ? 467 PHE A HE2 1 ATOM 6725 H HZ . PHE A 1 467 ? 7.701 -4.667 -6.324 1.00 10.17 ? 467 PHE A HZ 1 ATOM 6726 N N . ALA A 1 468 ? 4.828 -10.625 -1.642 1.00 8.85 ? 468 ALA A N 1 ATOM 6727 C CA . ALA A 1 468 ? 4.702 -11.992 -1.194 1.00 8.79 ? 468 ALA A CA 1 ATOM 6728 C C . ALA A 1 468 ? 5.334 -12.862 -2.267 1.00 8.74 ? 468 ALA A C 1 ATOM 6729 O O . ALA A 1 468 ? 4.698 -13.250 -3.246 1.00 9.39 ? 468 ALA A O 1 ATOM 6730 C CB . ALA A 1 468 ? 3.257 -12.359 -0.956 1.00 9.88 ? 468 ALA A CB 1 ATOM 6731 H H . ALA A 1 468 ? 4.022 -10.269 -2.136 1.00 10.80 ? 468 ALA A H 1 ATOM 6732 H HA . ALA A 1 468 ? 5.184 -12.125 -0.352 1.00 8.53 ? 468 ALA A HA 1 ATOM 6733 H HB1 . ALA A 1 468 ? 2.905 -11.801 -0.258 1.00 10.82 ? 468 ALA A HB1 1 ATOM 6734 H HB2 . ALA A 1 468 ? 3.210 -13.280 -0.693 1.00 10.82 ? 468 ALA A HB2 1 ATOM 6735 H HB3 . ALA A 1 468 ? 2.759 -12.223 -1.765 1.00 10.82 ? 468 ALA A HB3 1 ATOM 6736 N N . GLU A 1 469 ? 6.629 -13.090 -2.111 1.00 8.71 ? 469 GLU A N 1 ATOM 6737 C CA . GLU A 1 469 ? 7.386 -13.828 -3.080 1.00 8.51 ? 469 GLU A CA 1 ATOM 6738 C C . GLU A 1 469 ? 7.168 -15.312 -2.920 1.00 9.15 ? 469 GLU A C 1 ATOM 6739 O O . GLU A 1 469 ? 7.355 -15.846 -1.853 1.00 9.53 ? 469 GLU A O 1 ATOM 6740 C CB . GLU A 1 469 ? 8.842 -13.498 -2.898 1.00 8.36 ? 469 GLU A CB 1 ATOM 6741 C CG . GLU A 1 469 ? 9.768 -14.283 -3.799 1.00 9.48 ? 469 GLU A CG 1 ATOM 6742 C CD . GLU A 1 469 ? 11.219 -13.776 -3.746 1.00 9.44 ? 469 GLU A CD 1 ATOM 6743 O OE1 . GLU A 1 469 ? 11.386 -12.653 -3.281 1.00 10.43 ? 469 GLU A OE1 1 ATOM 6744 O OE2 . GLU A 1 469 ? 12.107 -14.507 -4.179 1.00 11.22 ? 469 GLU A OE2 1 ATOM 6745 H H . GLU A 1 469 ? 7.165 -12.771 -1.316 1.00 8.53 ? 469 GLU A H 1 ATOM 6746 H HA . GLU A 1 469 ? 7.123 -13.561 -3.984 1.00 11.16 ? 469 GLU A HA 1 ATOM 6747 H HB2 . GLU A 1 469 ? 8.963 -12.554 -3.085 1.00 8.53 ? 469 GLU A HB2 1 ATOM 6748 H HB3 . GLU A 1 469 ? 9.102 -13.691 -1.985 1.00 8.53 ? 469 GLU A HB3 1 ATOM 6749 H HG2 . GLU A 1 469 ? 9.776 -15.213 -3.523 1.00 9.57 ? 469 GLU A HG2 1 ATOM 6750 H HG3 . GLU A 1 469 ? 9.456 -14.210 -4.715 1.00 9.57 ? 469 GLU A HG3 1 ATOM 6751 N N . ASP A 1 470 ? 6.760 -15.981 -3.987 1.00 10.36 ? 470 ASP A N 1 ATOM 6752 C CA . ASP A 1 470 ? 6.607 -17.421 -3.982 1.00 11.05 ? 470 ASP A CA 1 ATOM 6753 C C . ASP A 1 470 ? 5.771 -17.859 -2.789 1.00 10.59 ? 470 ASP A C 1 ATOM 6754 O O . ASP A 1 470 ? 6.182 -18.639 -1.919 1.00 11.00 ? 470 ASP A O 1 ATOM 6755 C CB . ASP A 1 470 ? 7.955 -18.123 -3.963 1.00 12.29 ? 470 ASP A CB 1 ATOM 6756 C CG . ASP A 1 470 ? 7.873 -19.578 -4.317 1.00 13.89 ? 470 ASP A CG 1 ATOM 6757 O OD1 . ASP A 1 470 ? 6.761 -20.115 -4.428 1.00 17.07 ? 470 ASP A OD1 1 ATOM 6758 O OD2 . ASP A 1 470 ? 8.931 -20.199 -4.482 1.00 14.95 ? 470 ASP A OD2 1 ATOM 6759 H H . ASP A 1 470 ? 6.527 -15.555 -4.873 1.00 11.16 ? 470 ASP A H 1 ATOM 6760 H HA . ASP A 1 470 ? 6.134 -17.686 -4.798 1.00 10.86 ? 470 ASP A HA 1 ATOM 6761 H HB2 . ASP A 1 470 ? 8.521 -17.696 -4.621 1.00 11.52 ? 470 ASP A HB2 1 ATOM 6762 H HB3 . ASP A 1 470 ? 8.355 -18.043 -3.083 1.00 11.52 ? 470 ASP A HB3 1 ATOM 6763 N N . ILE A 1 471 ? 4.533 -17.405 -2.775 1.00 10.20 ? 471 ILE A N 1 ATOM 6764 C CA . ILE A 1 471 ? 3.592 -17.848 -1.771 1.00 11.21 ? 471 ILE A CA 1 ATOM 6765 C C . ILE A 1 471 ? 3.562 -19.381 -1.651 1.00 10.76 ? 471 ILE A C 1 ATOM 6766 O O . ILE A 1 471 ? 3.606 -19.906 -0.550 1.00 11.25 ? 471 ILE A O 1 ATOM 6767 C CB . ILE A 1 471 ? 2.201 -17.267 -1.990 1.00 11.49 ? 471 ILE A CB 1 ATOM 6768 C CG1 . ILE A 1 471 ? 2.234 -15.760 -1.755 1.00 12.24 ? 471 ILE A CG1 1 ATOM 6769 C CG2 . ILE A 1 471 ? 1.162 -17.964 -1.104 1.00 14.17 ? 471 ILE A CG2 1 ATOM 6770 C CD1 . ILE A 1 471 ? 0.931 -15.078 -2.168 1.00 14.13 ? 471 ILE A CD1 1 ATOM 6771 H H . ILE A 1 471 ? 4.165 -16.752 -3.450 1.00 17.21 ? 471 ILE A H 1 ATOM 6772 H HA . ILE A 1 471 ? 3.903 -17.508 -0.906 1.00 11.85 ? 471 ILE A HA 1 ATOM 6773 H HB . ILE A 1 471 ? 1.951 -17.416 -2.914 1.00 17.23 ? 471 ILE A HB 1 ATOM 6774 H HG12 . ILE A 1 471 ? 2.372 -15.593 -0.809 1.00 17.19 ? 471 ILE A HG12 1 ATOM 6775 H HG13 . ILE A 1 471 ? 2.952 -15.361 -2.269 1.00 17.19 ? 471 ILE A HG13 1 ATOM 6776 H HG21 . ILE A 1 471 ? 0.918 -18.803 -1.502 1.00 17.30 ? 471 ILE A HG21 1 ATOM 6777 H HG22 . ILE A 1 471 ? 0.383 -17.409 -1.029 1.00 17.30 ? 471 ILE A HG22 1 ATOM 6778 H HG23 . ILE A 1 471 ? 1.536 -18.109 -0.231 1.00 17.30 ? 471 ILE A HG23 1 ATOM 6779 H HD11 . ILE A 1 471 ? 0.537 -15.561 -2.898 1.00 17.26 ? 471 ILE A HD11 1 ATOM 6780 H HD12 . ILE A 1 471 ? 1.125 -14.178 -2.438 1.00 17.26 ? 471 ILE A HD12 1 ATOM 6781 H HD13 . ILE A 1 471 ? 0.331 -15.072 -1.418 1.00 17.26 ? 471 ILE A HD13 1 ATOM 6782 N N . PRO A 1 472 ? 3.526 -20.122 -2.776 1.00 12.22 ? 472 PRO A N 1 ATOM 6783 C CA . PRO A 1 472 ? 3.375 -21.554 -2.628 1.00 13.75 ? 472 PRO A CA 1 ATOM 6784 C C . PRO A 1 472 ? 4.456 -22.221 -1.845 1.00 13.38 ? 472 PRO A C 1 ATOM 6785 O O . PRO A 1 472 ? 4.204 -23.236 -1.219 1.00 15.92 ? 472 PRO A O 1 ATOM 6786 C CB . PRO A 1 472 ? 3.388 -22.049 -4.083 1.00 15.37 ? 472 PRO A CB 1 ATOM 6787 C CG . PRO A 1 472 ? 2.815 -20.903 -4.847 1.00 15.28 ? 472 PRO A CG 1 ATOM 6788 C CD . PRO A 1 472 ? 3.394 -19.686 -4.164 1.00 13.35 ? 472 PRO A CD 1 ATOM 6789 H HA . PRO A 1 472 ? 2.510 -21.763 -2.222 1.00 12.93 ? 472 PRO A HA 1 ATOM 6790 H HB2 . PRO A 1 472 ? 4.297 -22.233 -4.368 1.00 13.68 ? 472 PRO A HB2 1 ATOM 6791 H HB3 . PRO A 1 472 ? 2.829 -22.837 -4.169 1.00 13.68 ? 472 PRO A HB3 1 ATOM 6792 H HG2 . PRO A 1 472 ? 3.100 -20.949 -5.773 1.00 13.92 ? 472 PRO A HG2 1 ATOM 6793 H HG3 . PRO A 1 472 ? 1.848 -20.911 -4.780 1.00 13.92 ? 472 PRO A HG3 1 ATOM 6794 H HD2 . PRO A 1 472 ? 4.260 -19.471 -4.542 1.00 17.22 ? 472 PRO A HD2 1 ATOM 6795 H HD3 . PRO A 1 472 ? 2.779 -18.942 -4.239 1.00 17.22 ? 472 PRO A HD3 1 ATOM 6796 N N . ASP A 1 473 ? 5.686 -21.694 -1.904 1.00 12.58 ? 473 ASP A N 1 ATOM 6797 C CA . ASP A 1 473 ? 6.802 -22.330 -1.211 1.00 13.74 ? 473 ASP A CA 1 ATOM 6798 C C . ASP A 1 473 ? 7.132 -21.626 0.099 1.00 12.57 ? 473 ASP A C 1 ATOM 6799 O O . ASP A 1 473 ? 8.136 -21.944 0.685 1.00 16.03 ? 473 ASP A O 1 ATOM 6800 C CB A ASP A 1 473 ? 7.935 -22.370 -2.289 0.70 15.74 ? 473 ASP A CB 1 ATOM 6801 C CB B ASP A 1 473 ? 8.193 -22.458 -1.910 0.30 10.24 ? 473 ASP A CB 1 ATOM 6802 C CG A ASP A 1 473 ? 7.516 -23.066 -3.639 0.70 14.21 ? 473 ASP A CG 1 ATOM 6803 C CG B ASP A 1 473 ? 9.270 -23.347 -1.110 0.30 8.07 ? 473 ASP A CG 1 ATOM 6804 O OD1 A ASP A 1 473 ? 6.783 -24.090 -3.633 0.70 14.82 ? 473 ASP A OD1 1 ATOM 6805 O OD1 B ASP A 1 473 ? 8.944 -24.420 -0.543 0.30 8.57 ? 473 ASP A OD1 1 ATOM 6806 O OD2 A ASP A 1 473 ? 7.968 -22.603 -4.728 0.70 15.90 ? 473 ASP A OD2 1 ATOM 6807 O OD2 B ASP A 1 473 ? 10.506 -23.014 -1.125 0.30 9.18 ? 473 ASP A OD2 1 ATOM 6808 H H . ASP A 1 473 ? 5.931 -20.851 -2.405 1.00 12.70 ? 473 ASP A H 1 ATOM 6809 H HA . ASP A 1 473 ? 6.542 -23.244 -0.977 1.00 12.65 ? 473 ASP A HA 1 ATOM 6810 N N . THR A 1 474 ? 6.349 -20.631 0.548 1.00 11.21 ? 474 THR A N 1 ATOM 6811 C CA . THR A 1 474 ? 6.705 -19.872 1.679 1.00 10.08 ? 474 THR A CA 1 ATOM 6812 C C . THR A 1 474 ? 6.749 -20.677 2.950 1.00 11.03 ? 474 THR A C 1 ATOM 6813 O O . THR A 1 474 ? 7.687 -20.570 3.730 1.00 12.25 ? 474 THR A O 1 ATOM 6814 C CB . THR A 1 474 ? 5.788 -18.665 1.789 1.00 10.05 ? 474 THR A CB 1 ATOM 6815 O OG1 . THR A 1 474 ? 6.119 -17.734 0.752 1.00 10.58 ? 474 THR A OG1 1 ATOM 6816 C CG2 . THR A 1 474 ? 5.927 -17.941 3.099 1.00 9.88 ? 474 THR A CG2 1 ATOM 6817 H H . THR A 1 474 ? 5.472 -20.363 0.129 1.00 10.79 ? 474 THR A H 1 ATOM 6818 H HA . THR A 1 474 ? 7.609 -19.521 1.535 1.00 10.51 ? 474 THR A HA 1 ATOM 6819 H HB . THR A 1 474 ? 4.863 -18.942 1.695 1.00 10.79 ? 474 THR A HB 1 ATOM 6820 H HG21 . THR A 1 474 ? 5.420 -18.387 3.781 1.00 10.16 ? 474 THR A HG21 1 ATOM 6821 H HG22 . THR A 1 474 ? 5.598 -17.043 3.011 1.00 10.16 ? 474 THR A HG22 1 ATOM 6822 H HG23 . THR A 1 474 ? 6.849 -17.905 3.363 1.00 10.16 ? 474 THR A HG23 1 ATOM 6823 N N . ALA A 1 475 ? 5.703 -21.457 3.179 1.00 12.87 ? 475 ALA A N 1 ATOM 6824 C CA . ALA A 1 475 ? 5.679 -22.233 4.393 1.00 14.54 ? 475 ALA A CA 1 ATOM 6825 C C . ALA A 1 475 ? 6.759 -23.310 4.421 1.00 15.99 ? 475 ALA A C 1 ATOM 6826 O O . ALA A 1 475 ? 7.445 -23.483 5.426 1.00 17.89 ? 475 ALA A O 1 ATOM 6827 C CB . ALA A 1 475 ? 4.294 -22.853 4.607 1.00 17.75 ? 475 ALA A CB 1 ATOM 6828 H H . ALA A 1 475 ? 4.901 -21.563 2.575 1.00 35.61 ? 475 ALA A H 1 ATOM 6829 H HA . ALA A 1 475 ? 5.851 -21.639 5.151 1.00 17.42 ? 475 ALA A HA 1 ATOM 6830 H HB1 . ALA A 1 475 ? 3.627 -22.172 4.494 1.00 35.61 ? 475 ALA A HB1 1 ATOM 6831 H HB2 . ALA A 1 475 ? 4.248 -23.212 5.496 1.00 35.61 ? 475 ALA A HB2 1 ATOM 6832 H HB3 . ALA A 1 475 ? 4.161 -23.552 3.965 1.00 35.62 ? 475 ALA A HB3 1 ATOM 6833 N N . SER A 1 476 ? 6.958 -23.988 3.313 1.00 14.85 ? 476 SER A N 1 ATOM 6834 C CA . SER A 1 476 ? 7.963 -25.009 3.242 1.00 15.54 ? 476 SER A CA 1 ATOM 6835 C C . SER A 1 476 ? 9.372 -24.445 3.342 1.00 14.85 ? 476 SER A C 1 ATOM 6836 O O . SER A 1 476 ? 10.263 -25.045 3.919 1.00 16.70 ? 476 SER A O 1 ATOM 6837 C CB . SER A 1 476 ? 7.836 -25.774 1.949 1.00 15.97 ? 476 SER A CB 1 ATOM 6838 O OG A SER A 1 476 ? 8.040 -24.975 0.729 0.70 15.78 ? 476 SER A OG 1 ATOM 6839 O OG B SER A 1 476 ? 8.868 -26.700 1.901 0.30 22.39 ? 476 SER A OG 1 ATOM 6840 H H . SER A 1 476 ? 6.436 -23.847 2.459 1.00 14.39 ? 476 SER A H 1 ATOM 6841 H HA . SER A 1 476 ? 7.835 -25.643 3.979 1.00 19.84 ? 476 SER A HA 1 ATOM 6842 N N . ALA A 1 477 ? 9.582 -23.271 2.768 1.00 13.17 ? 477 ALA A N 1 ATOM 6843 C CA . ALA A 1 477 ? 10.904 -22.664 2.774 1.00 13.24 ? 477 ALA A CA 1 ATOM 6844 C C . ALA A 1 477 ? 11.297 -22.153 4.149 1.00 12.18 ? 477 ALA A C 1 ATOM 6845 O O . ALA A 1 477 ? 12.451 -22.052 4.453 1.00 12.77 ? 477 ALA A O 1 ATOM 6846 C CB . ALA A 1 477 ? 10.986 -21.572 1.750 1.00 14.78 ? 477 ALA A CB 1 ATOM 6847 H H . ALA A 1 477 ? 8.875 -22.725 2.295 1.00 9.15 ? 477 ALA A H 1 ATOM 6848 H HA . ALA A 1 477 ? 11.564 -23.342 2.518 1.00 12.98 ? 477 ALA A HA 1 ATOM 6849 H HB1 . ALA A 1 477 ? 10.846 -21.945 0.882 1.00 9.13 ? 477 ALA A HB1 1 ATOM 6850 H HB2 . ALA A 1 477 ? 11.855 -21.168 1.796 1.00 9.14 ? 477 ALA A HB2 1 ATOM 6851 H HB3 . ALA A 1 477 ? 10.312 -20.915 1.938 1.00 9.14 ? 477 ALA A HB3 1 ATOM 6852 N N . ASN A 1 478 ? 10.306 -21.735 4.941 1.00 11.93 ? 478 ASN A N 1 ATOM 6853 C CA . ASN A 1 478 ? 10.560 -20.972 6.149 1.00 11.61 ? 478 ASN A CA 1 ATOM 6854 C C . ASN A 1 478 ? 9.929 -21.656 7.349 1.00 13.70 ? 478 ASN A C 1 ATOM 6855 O O . ASN A 1 478 ? 9.016 -21.124 7.957 1.00 15.24 ? 478 ASN A O 1 ATOM 6856 C CB . ASN A 1 478 ? 9.922 -19.585 6.013 1.00 11.62 ? 478 ASN A CB 1 ATOM 6857 C CG . ASN A 1 478 ? 10.588 -18.785 4.937 1.00 10.36 ? 478 ASN A CG 1 ATOM 6858 O OD1 . ASN A 1 478 ? 11.693 -18.284 5.088 1.00 10.80 ? 478 ASN A OD1 1 ATOM 6859 N ND2 . ASN A 1 478 ? 9.876 -18.629 3.838 1.00 11.38 ? 478 ASN A ND2 1 ATOM 6860 H H . ASN A 1 478 ? 9.325 -21.904 4.776 1.00 12.21 ? 478 ASN A H 1 ATOM 6861 H HA . ASN A 1 478 ? 11.518 -20.862 6.311 1.00 14.33 ? 478 ASN A HA 1 ATOM 6862 H HB2 . ASN A 1 478 ? 8.981 -19.677 5.799 1.00 12.66 ? 478 ASN A HB2 1 ATOM 6863 H HB3 . ASN A 1 478 ? 10.029 -19.098 6.845 1.00 12.66 ? 478 ASN A HB3 1 ATOM 6864 H HD21 . ASN A 1 478 ? 9.946 -17.798 3.324 1.00 12.66 ? 478 ASN A HD21 1 ATOM 6865 H HD22 . ASN A 1 478 ? 9.277 -19.342 3.532 1.00 12.66 ? 478 ASN A HD22 1 ATOM 6866 N N . PRO A 1 479 ? 10.407 -22.840 7.721 1.00 13.07 ? 479 PRO A N 1 ATOM 6867 C CA . PRO A 1 479 ? 9.914 -23.441 8.954 1.00 14.32 ? 479 PRO A CA 1 ATOM 6868 C C . PRO A 1 479 ? 10.107 -22.495 10.116 1.00 13.57 ? 479 PRO A C 1 ATOM 6869 O O . PRO A 1 479 ? 11.118 -21.830 10.193 1.00 15.04 ? 479 PRO A O 1 ATOM 6870 C CB . PRO A 1 479 ? 10.741 -24.686 9.077 1.00 15.48 ? 479 PRO A CB 1 ATOM 6871 C CG . PRO A 1 479 ? 11.943 -24.434 8.286 1.00 17.37 ? 479 PRO A CG 1 ATOM 6872 C CD . PRO A 1 479 ? 11.508 -23.598 7.135 1.00 14.81 ? 479 PRO A CD 1 ATOM 6873 H HA . PRO A 1 479 ? 8.968 -23.680 8.866 1.00 13.73 ? 479 PRO A HA 1 ATOM 6874 H HB2 . PRO A 1 479 ? 10.971 -24.844 10.006 1.00 14.57 ? 479 PRO A HB2 1 ATOM 6875 H HB3 . PRO A 1 479 ? 10.249 -25.439 8.715 1.00 14.57 ? 479 PRO A HB3 1 ATOM 6876 H HG2 . PRO A 1 479 ? 12.593 -23.958 8.826 1.00 15.46 ? 479 PRO A HG2 1 ATOM 6877 H HG3 . PRO A 1 479 ? 12.309 -25.277 7.976 1.00 15.46 ? 479 PRO A HG3 1 ATOM 6878 H HD2 . PRO A 1 479 ? 12.230 -23.013 6.861 1.00 14.33 ? 479 PRO A HD2 1 ATOM 6879 H HD3 . PRO A 1 479 ? 11.194 -24.154 6.404 1.00 14.33 ? 479 PRO A HD3 1 ATOM 6880 N N . VAL A 1 480 ? 9.128 -22.402 10.970 1.00 12.86 ? 480 VAL A N 1 ATOM 6881 C CA . VAL A 1 480 ? 9.145 -21.425 12.044 1.00 13.88 ? 480 VAL A CA 1 ATOM 6882 C C . VAL A 1 480 ? 9.354 -22.084 13.382 1.00 15.31 ? 480 VAL A C 1 ATOM 6883 O O . VAL A 1 480 ? 8.758 -23.102 13.673 1.00 16.88 ? 480 VAL A O 1 ATOM 6884 C CB . VAL A 1 480 ? 7.890 -20.518 12.089 1.00 13.93 ? 480 VAL A CB 1 ATOM 6885 C CG1 . VAL A 1 480 ? 7.871 -19.679 10.846 1.00 13.14 ? 480 VAL A CG1 1 ATOM 6886 C CG2 . VAL A 1 480 ? 6.589 -21.318 12.196 1.00 16.56 ? 480 VAL A CG2 1 ATOM 6887 H H . VAL A 1 480 ? 8.315 -22.998 10.961 1.00 13.73 ? 480 VAL A H 1 ATOM 6888 H HA . VAL A 1 480 ? 9.903 -20.827 11.890 1.00 13.57 ? 480 VAL A HA 1 ATOM 6889 H HB . VAL A 1 480 ? 7.949 -19.919 12.863 1.00 13.86 ? 480 VAL A HB 1 ATOM 6890 H HG11 . VAL A 1 480 ? 8.723 -19.252 10.737 1.00 13.58 ? 480 VAL A HG11 1 ATOM 6891 H HG12 . VAL A 1 480 ? 7.182 -19.016 10.930 1.00 13.58 ? 480 VAL A HG12 1 ATOM 6892 H HG13 . VAL A 1 480 ? 7.688 -20.245 10.093 1.00 13.58 ? 480 VAL A HG13 1 ATOM 6893 H HG21 . VAL A 1 480 ? 6.481 -21.854 11.407 1.00 13.73 ? 480 VAL A HG21 1 ATOM 6894 H HG22 . VAL A 1 480 ? 5.857 -20.702 12.268 1.00 13.73 ? 480 VAL A HG22 1 ATOM 6895 H HG23 . VAL A 1 480 ? 6.615 -21.878 12.974 1.00 13.73 ? 480 VAL A HG23 1 ATOM 6896 N N . PRO A 1 481 ? 10.136 -21.453 14.230 1.00 14.00 ? 481 PRO A N 1 ATOM 6897 C CA . PRO A 1 481 ? 10.306 -22.002 15.571 1.00 14.31 ? 481 PRO A CA 1 ATOM 6898 C C . PRO A 1 481 ? 9.095 -21.720 16.418 1.00 14.83 ? 481 PRO A C 1 ATOM 6899 O O . PRO A 1 481 ? 8.350 -20.774 16.196 1.00 13.99 ? 481 PRO A O 1 ATOM 6900 C CB . PRO A 1 481 ? 11.525 -21.245 16.111 1.00 15.34 ? 481 PRO A CB 1 ATOM 6901 C CG . PRO A 1 481 ? 11.490 -19.938 15.394 1.00 14.45 ? 481 PRO A CG 1 ATOM 6902 C CD . PRO A 1 481 ? 10.930 -20.237 14.021 1.00 13.92 ? 481 PRO A CD 1 ATOM 6903 H HA . PRO A 1 481 ? 10.494 -22.963 15.548 1.00 18.76 ? 481 PRO A HA 1 ATOM 6904 H HB2 . PRO A 1 481 ? 11.444 -21.116 17.070 1.00 14.70 ? 481 PRO A HB2 1 ATOM 6905 H HB3 . PRO A 1 481 ? 12.336 -21.732 15.897 1.00 14.70 ? 481 PRO A HB3 1 ATOM 6906 H HG2 . PRO A 1 481 ? 10.917 -19.318 15.869 1.00 12.58 ? 481 PRO A HG2 1 ATOM 6907 H HG3 . PRO A 1 481 ? 12.390 -19.584 15.325 1.00 12.58 ? 481 PRO A HG3 1 ATOM 6908 H HD2 . PRO A 1 481 ? 10.366 -19.505 13.726 1.00 13.56 ? 481 PRO A HD2 1 ATOM 6909 H HD3 . PRO A 1 481 ? 11.650 -20.409 13.395 1.00 13.56 ? 481 PRO A HD3 1 ATOM 6910 N N . GLN A 1 482 ? 8.920 -22.538 17.446 1.00 16.42 ? 482 GLN A N 1 ATOM 6911 C CA . GLN A 1 482 ? 7.799 -22.341 18.350 1.00 15.94 ? 482 GLN A CA 1 ATOM 6912 C C . GLN A 1 482 ? 7.784 -20.932 18.941 1.00 13.99 ? 482 GLN A C 1 ATOM 6913 O O . GLN A 1 482 ? 6.732 -20.336 19.116 1.00 15.75 ? 482 GLN A O 1 ATOM 6914 C CB . GLN A 1 482 ? 7.835 -23.369 19.465 1.00 19.47 ? 482 GLN A CB 1 ATOM 6915 C CG . GLN A 1 482 ? 6.617 -23.282 20.350 1.00 20.19 ? 482 GLN A CG 1 ATOM 6916 C CD . GLN A 1 482 ? 5.284 -23.494 19.630 1.00 21.71 ? 482 GLN A CD 1 ATOM 6917 O OE1 . GLN A 1 482 ? 4.334 -22.704 19.773 1.00 26.34 ? 482 GLN A OE1 1 ATOM 6918 N NE2 . GLN A 1 482 ? 5.191 -24.566 18.913 1.00 24.86 ? 482 GLN A NE2 1 ATOM 6919 H H . GLN A 1 482 ? 9.519 -23.319 17.670 1.00 18.76 ? 482 GLN A H 1 ATOM 6920 H HA . GLN A 1 482 ? 6.971 -22.461 17.842 1.00 15.24 ? 482 GLN A HA 1 ATOM 6921 H HB2 . GLN A 1 482 ? 7.867 -24.258 19.079 1.00 18.76 ? 482 GLN A HB2 1 ATOM 6922 H HB3 . GLN A 1 482 ? 8.619 -23.215 20.015 1.00 18.76 ? 482 GLN A HB3 1 ATOM 6923 H HG2 . GLN A 1 482 ? 6.688 -23.973 21.028 1.00 18.19 ? 482 GLN A HG2 1 ATOM 6924 H HG3 . GLN A 1 482 ? 6.589 -22.415 20.782 1.00 18.19 ? 482 GLN A HG3 1 ATOM 6925 H HE21 . GLN A 1 482 ? 4.661 -24.586 18.236 1.00 18.77 ? 482 GLN A HE21 1 ATOM 6926 H HE22 . GLN A 1 482 ? 5.657 -25.261 19.112 1.00 18.77 ? 482 GLN A HE22 1 ATOM 6927 N N . ALA A 1 483 ? 8.970 -20.410 19.251 1.00 13.88 ? 483 ALA A N 1 ATOM 6928 C CA . ALA A 1 483 ? 9.012 -19.099 19.848 1.00 14.25 ? 483 ALA A CA 1 ATOM 6929 C C . ALA A 1 483 ? 8.420 -18.048 18.912 1.00 13.18 ? 483 ALA A C 1 ATOM 6930 O O . ALA A 1 483 ? 7.852 -17.065 19.392 1.00 13.70 ? 483 ALA A O 1 ATOM 6931 C CB . ALA A 1 483 ? 10.415 -18.719 20.208 1.00 16.10 ? 483 ALA A CB 1 ATOM 6932 H H . ALA A 1 483 ? 9.868 -20.852 19.112 1.00 15.00 ? 483 ALA A H 1 ATOM 6933 H HA . ALA A 1 483 ? 8.483 -19.104 20.673 1.00 40.63 ? 483 ALA A HA 1 ATOM 6934 H HB1 . ALA A 1 483 ? 10.752 -19.345 20.852 1.00 15.00 ? 483 ALA A HB1 1 ATOM 6935 H HB2 . ALA A 1 483 ? 10.413 -17.834 20.581 1.00 15.00 ? 483 ALA A HB2 1 ATOM 6936 H HB3 . ALA A 1 483 ? 10.957 -18.739 19.416 1.00 15.00 ? 483 ALA A HB3 1 ATOM 6937 N N . TRP A 1 484 ? 8.596 -18.229 17.604 1.00 11.90 ? 484 TRP A N 1 ATOM 6938 C CA . TRP A 1 484 ? 7.965 -17.309 16.664 1.00 11.12 ? 484 TRP A CA 1 ATOM 6939 C C . TRP A 1 484 ? 6.469 -17.475 16.697 1.00 11.75 ? 484 TRP A C 1 ATOM 6940 O O . TRP A 1 484 ? 5.732 -16.476 16.717 1.00 12.78 ? 484 TRP A O 1 ATOM 6941 C CB . TRP A 1 484 ? 8.529 -17.500 15.283 1.00 10.93 ? 484 TRP A CB 1 ATOM 6942 C CG . TRP A 1 484 ? 7.918 -16.589 14.278 1.00 10.27 ? 484 TRP A CG 1 ATOM 6943 C CD1 . TRP A 1 484 ? 8.353 -15.353 13.912 1.00 10.95 ? 484 TRP A CD1 1 ATOM 6944 C CD2 . TRP A 1 484 ? 6.738 -16.846 13.502 1.00 10.72 ? 484 TRP A CD2 1 ATOM 6945 N NE1 . TRP A 1 484 ? 7.517 -14.822 13.005 1.00 10.13 ? 484 TRP A NE1 1 ATOM 6946 C CE2 . TRP A 1 484 ? 6.525 -15.720 12.717 1.00 9.87 ? 484 TRP A CE2 1 ATOM 6947 C CE3 . TRP A 1 484 ? 5.861 -17.914 13.404 1.00 11.46 ? 484 TRP A CE3 1 ATOM 6948 C CZ2 . TRP A 1 484 ? 5.472 -15.637 11.824 1.00 10.89 ? 484 TRP A CZ2 1 ATOM 6949 C CZ3 . TRP A 1 484 ? 4.814 -17.824 12.547 1.00 12.13 ? 484 TRP A CZ3 1 ATOM 6950 C CH2 . TRP A 1 484 ? 4.640 -16.703 11.751 1.00 11.68 ? 484 TRP A CH2 1 ATOM 6951 H H . TRP A 1 484 ? 9.144 -18.963 17.182 1.00 12.58 ? 484 TRP A H 1 ATOM 6952 H HA . TRP A 1 484 ? 8.168 -16.389 16.933 1.00 11.42 ? 484 TRP A HA 1 ATOM 6953 H HB2 . TRP A 1 484 ? 9.483 -17.326 15.304 1.00 12.58 ? 484 TRP A HB2 1 ATOM 6954 H HB3 . TRP A 1 484 ? 8.364 -18.411 14.996 1.00 12.58 ? 484 TRP A HB3 1 ATOM 6955 H HD1 . TRP A 1 484 ? 9.091 -14.919 14.275 1.00 11.26 ? 484 TRP A HD1 1 ATOM 6956 H HE1 . TRP A 1 484 ? 7.615 -14.054 12.630 1.00 11.26 ? 484 TRP A HE1 1 ATOM 6957 H HE3 . TRP A 1 484 ? 5.981 -18.674 13.927 1.00 11.26 ? 484 TRP A HE3 1 ATOM 6958 H HZ2 . TRP A 1 484 ? 5.338 -14.881 11.300 1.00 11.26 ? 484 TRP A HZ2 1 ATOM 6959 H HZ3 . TRP A 1 484 ? 4.223 -18.539 12.468 1.00 11.26 ? 484 TRP A HZ3 1 ATOM 6960 H HH2 . TRP A 1 484 ? 3.911 -16.667 11.175 1.00 11.26 ? 484 TRP A HH2 1 ATOM 6961 N N . SER A 1 485 ? 6.021 -18.719 16.673 1.00 12.97 ? 485 SER A N 1 ATOM 6962 C CA . SER A 1 485 ? 4.612 -18.980 16.733 1.00 13.91 ? 485 SER A CA 1 ATOM 6963 C C . SER A 1 485 ? 3.959 -18.400 17.982 1.00 14.69 ? 485 SER A C 1 ATOM 6964 O O . SER A 1 485 ? 2.754 -18.080 17.991 1.00 16.90 ? 485 SER A O 1 ATOM 6965 C CB . SER A 1 485 ? 4.348 -20.452 16.608 1.00 15.05 ? 485 SER A CB 1 ATOM 6966 O OG . SER A 1 485 ? 4.744 -20.936 15.350 1.00 16.51 ? 485 SER A OG 1 ATOM 6967 H H . SER A 1 485 ? 6.603 -19.542 16.607 1.00 14.58 ? 485 SER A H 1 ATOM 6968 H HA . SER A 1 485 ? 4.189 -18.547 15.962 1.00 13.88 ? 485 SER A HA 1 ATOM 6969 H HB2 . SER A 1 485 ? 4.842 -20.923 17.297 1.00 14.58 ? 485 SER A HB2 1 ATOM 6970 H HB3 . SER A 1 485 ? 3.398 -20.611 16.717 1.00 14.58 ? 485 SER A HB3 1 ATOM 6971 N N . ASP A 1 486 ? 4.727 -18.296 19.042 1.00 13.75 ? 486 ASP A N 1 ATOM 6972 C CA . ASP A 1 486 ? 4.245 -17.754 20.301 1.00 13.68 ? 486 ASP A CA 1 ATOM 6973 C C . ASP A 1 486 ? 4.137 -16.251 20.320 1.00 12.62 ? 486 ASP A C 1 ATOM 6974 O O . ASP A 1 486 ? 3.463 -15.679 21.205 1.00 14.89 ? 486 ASP A O 1 ATOM 6975 C CB . ASP A 1 486 ? 5.136 -18.200 21.448 1.00 15.22 ? 486 ASP A CB 1 ATOM 6976 C CG . ASP A 1 486 ? 5.055 -19.702 21.702 1.00 18.01 ? 486 ASP A CG 1 ATOM 6977 O OD1 . ASP A 1 486 ? 4.085 -20.340 21.242 1.00 21.31 ? 486 ASP A OD1 1 ATOM 6978 O OD2 . ASP A 1 486 ? 5.929 -20.179 22.437 1.00 23.43 ? 486 ASP A OD2 1 ATOM 6979 H H . ASP A 1 486 ? 5.689 -18.597 19.079 1.00 14.45 ? 486 ASP A H 1 ATOM 6980 H HA . ASP A 1 486 ? 3.347 -18.104 20.474 1.00 13.46 ? 486 ASP A HA 1 ATOM 6981 H HB2 . ASP A 1 486 ? 6.058 -17.976 21.245 1.00 14.45 ? 486 ASP A HB2 1 ATOM 6982 H HB3 . ASP A 1 486 ? 4.858 -17.749 22.260 1.00 14.45 ? 486 ASP A HB3 1 ATOM 6983 N N . LEU A 1 487 ? 4.767 -15.561 19.386 1.00 12.30 ? 487 LEU A N 1 ATOM 6984 C CA . LEU A 1 487 ? 4.808 -14.084 19.440 1.00 12.38 ? 487 LEU A CA 1 ATOM 6985 C C . LEU A 1 487 ? 3.438 -13.484 19.310 1.00 12.60 ? 487 LEU A C 1 ATOM 6986 O O . LEU A 1 487 ? 3.078 -12.571 20.063 1.00 13.16 ? 487 LEU A O 1 ATOM 6987 C CB . LEU A 1 487 ? 5.688 -13.519 18.350 1.00 11.86 ? 487 LEU A CB 1 ATOM 6988 C CG . LEU A 1 487 ? 7.172 -13.730 18.525 1.00 12.19 ? 487 LEU A CG 1 ATOM 6989 C CD1 . LEU A 1 487 ? 7.887 -13.341 17.251 1.00 12.11 ? 487 LEU A CD1 1 ATOM 6990 C CD2 . LEU A 1 487 ? 7.711 -12.909 19.654 1.00 13.84 ? 487 LEU A CD2 1 ATOM 6991 H H . LEU A 1 487 ? 5.257 -15.957 18.600 1.00 11.91 ? 487 LEU A H 1 ATOM 6992 H HA . LEU A 1 487 ? 5.172 -13.809 20.306 1.00 11.91 ? 487 LEU A HA 1 ATOM 6993 H HB2 . LEU A 1 487 ? 5.430 -13.926 17.508 1.00 11.91 ? 487 LEU A HB2 1 ATOM 6994 H HB3 . LEU A 1 487 ? 5.539 -12.562 18.299 1.00 11.91 ? 487 LEU A HB3 1 ATOM 6995 H HG . LEU A 1 487 ? 7.350 -14.664 18.707 1.00 12.27 ? 487 LEU A HG 1 ATOM 6996 H HD11 . LEU A 1 487 ? 7.568 -13.892 16.532 1.00 11.90 ? 487 LEU A HD11 1 ATOM 6997 H HD12 . LEU A 1 487 ? 8.831 -13.473 17.368 1.00 11.90 ? 487 LEU A HD12 1 ATOM 6998 H HD13 . LEU A 1 487 ? 7.706 -12.418 17.061 1.00 11.90 ? 487 LEU A HD13 1 ATOM 6999 H HD21 . LEU A 1 487 ? 7.425 -11.999 19.545 1.00 11.91 ? 487 LEU A HD21 1 ATOM 7000 H HD22 . LEU A 1 487 ? 8.670 -12.953 19.644 1.00 11.91 ? 487 LEU A HD22 1 ATOM 7001 H HD23 . LEU A 1 487 ? 7.380 -13.259 20.483 1.00 11.91 ? 487 LEU A HD23 1 ATOM 7002 N N . CYS A 1 488 ? 2.652 -13.911 18.308 1.00 13.67 ? 488 CYS A N 1 ATOM 7003 C CA . CYS A 1 488 ? 1.379 -13.213 18.063 1.00 14.60 ? 488 CYS A CA 1 ATOM 7004 C C . CYS A 1 488 ? 0.431 -13.446 19.233 1.00 15.29 ? 488 CYS A C 1 ATOM 7005 O O . CYS A 1 488 ? -0.221 -12.483 19.694 1.00 17.12 ? 488 CYS A O 1 ATOM 7006 C CB . CYS A 1 488 ? 0.806 -13.525 16.680 1.00 18.96 ? 488 CYS A CB 1 ATOM 7007 S SG A CYS A 1 488 ? 1.776 -12.654 15.413 0.80 14.90 ? 488 CYS A SG 1 ATOM 7008 S SG B CYS A 1 488 ? 1.960 -13.792 15.348 0.20 20.68 ? 488 CYS A SG 1 ATOM 7009 H H . CYS A 1 488 ? 2.856 -14.686 17.693 1.00 13.84 ? 488 CYS A H 1 ATOM 7010 H HA . CYS A 1 488 ? 1.567 -12.253 18.067 1.00 14.45 ? 488 CYS A HA 1 ATOM 7011 N N . PRO A 1 489 ? 0.315 -14.693 19.695 1.00 16.39 ? 489 PRO A N 1 ATOM 7012 C CA . PRO A 1 489 ? -0.617 -14.845 20.820 1.00 20.02 ? 489 PRO A CA 1 ATOM 7013 C C . PRO A 1 489 ? -0.190 -14.002 22.028 1.00 20.02 ? 489 PRO A C 1 ATOM 7014 O O . PRO A 1 489 ? -1.014 -13.399 22.702 1.00 19.89 ? 489 PRO A O 1 ATOM 7015 C CB . PRO A 1 489 ? -0.528 -16.325 21.133 1.00 21.58 ? 489 PRO A CB 1 ATOM 7016 C CG . PRO A 1 489 ? -0.177 -16.934 19.835 1.00 22.34 ? 489 PRO A CG 1 ATOM 7017 C CD . PRO A 1 489 ? 0.718 -15.991 19.138 1.00 18.76 ? 489 PRO A CD 1 ATOM 7018 H HA . PRO A 1 489 ? -1.533 -14.616 20.554 1.00 17.71 ? 489 PRO A HA 1 ATOM 7019 H HB2 . PRO A 1 489 ? 0.167 -16.488 21.790 1.00 18.18 ? 489 PRO A HB2 1 ATOM 7020 H HB3 . PRO A 1 489 ? -1.386 -16.649 21.447 1.00 18.18 ? 489 PRO A HB3 1 ATOM 7021 H HG2 . PRO A 1 489 ? 0.277 -17.778 19.988 1.00 18.41 ? 489 PRO A HG2 1 ATOM 7022 H HG3 . PRO A 1 489 ? -0.985 -17.075 19.318 1.00 18.41 ? 489 PRO A HG3 1 ATOM 7023 H HD2 . PRO A 1 489 ? 1.641 -16.181 19.355 1.00 17.04 ? 489 PRO A HD2 1 ATOM 7024 H HD3 . PRO A 1 489 ? 0.560 -16.023 18.183 1.00 17.04 ? 489 PRO A HD3 1 ATOM 7025 N N . ALA A 1 490 ? 1.111 -13.913 22.292 1.00 18.58 ? 490 ALA A N 1 ATOM 7026 C CA . ALA A 1 490 ? 1.559 -13.112 23.435 1.00 18.93 ? 490 ALA A CA 1 ATOM 7027 C C . ALA A 1 490 ? 1.265 -11.627 23.220 1.00 17.24 ? 490 ALA A C 1 ATOM 7028 O O . ALA A 1 490 ? 0.881 -10.942 24.136 1.00 19.66 ? 490 ALA A O 1 ATOM 7029 C CB . ALA A 1 490 ? 3.050 -13.301 23.728 1.00 19.29 ? 490 ALA A CB 1 ATOM 7030 H H . ALA A 1 490 ? 1.851 -14.361 21.770 1.00 17.45 ? 490 ALA A H 1 ATOM 7031 H HA . ALA A 1 490 ? 1.069 -13.400 24.234 1.00 17.34 ? 490 ALA A HA 1 ATOM 7032 H HB1 . ALA A 1 490 ? 3.217 -14.229 23.907 1.00 17.71 ? 490 ALA A HB1 1 ATOM 7033 H HB2 . ALA A 1 490 ? 3.287 -12.771 24.492 1.00 17.71 ? 490 ALA A HB2 1 ATOM 7034 H HB3 . ALA A 1 490 ? 3.556 -13.018 22.963 1.00 17.71 ? 490 ALA A HB3 1 ATOM 7035 N N . TYR A 1 491 ? 1.501 -11.149 22.006 1.00 16.20 ? 491 TYR A N 1 ATOM 7036 C CA . TYR A 1 491 ? 1.266 -9.771 21.662 1.00 15.56 ? 491 TYR A CA 1 ATOM 7037 C C . TYR A 1 491 ? -0.192 -9.394 21.735 1.00 18.04 ? 491 TYR A C 1 ATOM 7038 O O . TYR A 1 491 ? -0.580 -8.351 22.276 1.00 20.18 ? 491 TYR A O 1 ATOM 7039 C CB . TYR A 1 491 ? 1.823 -9.512 20.248 1.00 15.69 ? 491 TYR A CB 1 ATOM 7040 C CG . TYR A 1 491 ? 1.681 -8.076 19.829 1.00 15.18 ? 491 TYR A CG 1 ATOM 7041 C CD1 . TYR A 1 491 ? 2.558 -7.129 20.263 1.00 16.10 ? 491 TYR A CD1 1 ATOM 7042 C CD2 . TYR A 1 491 ? 0.623 -7.691 19.008 1.00 16.29 ? 491 TYR A CD2 1 ATOM 7043 C CE1 . TYR A 1 491 ? 2.399 -5.819 19.886 1.00 17.24 ? 491 TYR A CE1 1 ATOM 7044 C CE2 . TYR A 1 491 ? 0.472 -6.389 18.613 1.00 16.99 ? 491 TYR A CE2 1 ATOM 7045 C CZ . TYR A 1 491 ? 1.336 -5.453 19.071 1.00 15.27 ? 491 TYR A CZ 1 ATOM 7046 O OH . TYR A 1 491 ? 1.178 -4.127 18.718 1.00 17.81 ? 491 TYR A OH 1 ATOM 7047 H H . TYR A 1 491 ? 1.864 -11.703 21.243 1.00 15.11 ? 491 TYR A H 1 ATOM 7048 H HA . TYR A 1 491 ? 1.757 -9.198 22.288 1.00 13.85 ? 491 TYR A HA 1 ATOM 7049 H HB2 . TYR A 1 491 ? 2.767 -9.735 20.235 1.00 15.11 ? 491 TYR A HB2 1 ATOM 7050 H HB3 . TYR A 1 491 ? 1.343 -10.063 19.611 1.00 15.11 ? 491 TYR A HB3 1 ATOM 7051 H HD1 . TYR A 1 491 ? 3.262 -7.368 20.822 1.00 16.08 ? 491 TYR A HD1 1 ATOM 7052 H HD2 . TYR A 1 491 ? 0.023 -8.332 18.705 1.00 15.11 ? 491 TYR A HD2 1 ATOM 7053 H HE1 . TYR A 1 491 ? 2.992 -5.173 20.192 1.00 16.08 ? 491 TYR A HE1 1 ATOM 7054 H HE2 . TYR A 1 491 ? -0.246 -6.142 18.077 1.00 15.11 ? 491 TYR A HE2 1 ATOM 7055 N N . ASP A 1 492 ? -1.015 -10.235 21.153 1.00 18.54 ? 492 ASP A N 1 ATOM 7056 C CA . ASP A 1 492 ? -2.409 -9.955 21.106 1.00 21.04 ? 492 ASP A CA 1 ATOM 7057 C C . ASP A 1 492 ? -3.020 -10.043 22.517 1.00 24.90 ? 492 ASP A C 1 ATOM 7058 O O . ASP A 1 492 ? -3.924 -9.248 22.845 1.00 27.33 ? 492 ASP A O 1 ATOM 7059 C CB . ASP A 1 492 ? -3.090 -10.892 20.108 1.00 24.88 ? 492 ASP A CB 1 ATOM 7060 C CG . ASP A 1 492 ? -2.715 -10.562 18.642 1.00 29.98 ? 492 ASP A CG 1 ATOM 7061 O OD1 . ASP A 1 492 ? -2.293 -9.417 18.333 1.00 26.63 ? 492 ASP A OD1 1 ATOM 7062 O OD2 . ASP A 1 492 ? -2.819 -11.465 17.801 1.00 36.16 ? 492 ASP A OD2 1 ATOM 7063 H H . ASP A 1 492 ? -0.737 -11.100 20.713 1.00 21.58 ? 492 ASP A H 1 ATOM 7064 H HA . ASP A 1 492 ? -2.544 -9.038 20.790 1.00 20.30 ? 492 ASP A HA 1 ATOM 7065 H HB2 . ASP A 1 492 ? -2.828 -11.808 20.291 1.00 21.58 ? 492 ASP A HB2 1 ATOM 7066 H HB3 . ASP A 1 492 ? -4.051 -10.800 20.197 1.00 21.58 ? 492 ASP A HB3 1 ATOM 7067 N N . GLN A 1 493 ? -2.526 -10.973 23.355 1.00 24.87 ? 493 GLN A N 1 ATOM 7068 C CA . GLN A 1 493 ? -2.973 -11.104 24.769 1.00 33.01 ? 493 GLN A CA 1 ATOM 7069 C C . GLN A 1 493 ? -2.562 -9.866 25.549 1.00 34.20 ? 493 GLN A C 1 ATOM 7070 O O . GLN A 1 493 ? -3.342 -9.342 26.354 1.00 38.62 ? 493 GLN A O 1 ATOM 7071 C CB . GLN A 1 493 ? -2.365 -12.352 25.434 1.00 29.48 ? 493 GLN A CB 1 ATOM 7072 N N . ALA A 1 494 ? -1.338 -9.385 25.329 1.00 29.12 ? 494 ALA A N 1 ATOM 7073 C CA . ALA A 1 494 ? -0.851 -8.206 26.051 1.00 31.74 ? 494 ALA A CA 1 ATOM 7074 C C . ALA A 1 494 ? -1.607 -6.952 25.589 1.00 34.61 ? 494 ALA A C 1 ATOM 7075 O O . ALA A 1 494 ? -1.729 -5.970 26.344 1.00 38.53 ? 494 ALA A O 1 ATOM 7076 C CB . ALA A 1 494 ? 0.660 -8.043 25.824 1.00 27.89 ? 494 ALA A CB 1 ATOM 7077 H H . ALA A 1 494 ? -0.673 -9.778 24.676 1.00 30.85 ? 494 ALA A H 1 ATOM 7078 N N . HIS A 1 495 ? -2.137 -7.024 24.365 1.00 37.70 ? 495 HIS A N 1 ATOM 7079 C CA . HIS A 1 495 ? -2.666 -5.892 23.578 1.00 45.21 ? 495 HIS A CA 1 ATOM 7080 C C . HIS A 1 495 ? -1.631 -4.750 23.376 1.00 52.65 ? 495 HIS A C 1 ATOM 7081 O O . HIS A 1 495 ? -0.492 -4.972 22.889 1.00 51.11 ? 495 HIS A O 1 ATOM 7082 C CB . HIS A 1 495 ? -4.046 -5.411 24.094 1.00 43.82 ? 495 HIS A CB 1 HETATM 7083 CU CU A CU B 2 . ? 11.905 -2.469 6.079 0.70 6.89 ? 601 CU A CU 1 HETATM 7084 CU CU B CU B 2 . ? 12.656 -2.375 6.193 0.20 6.64 ? 601 CU A CU 1 HETATM 7085 CU CU A CU C 2 . ? 16.845 -0.915 7.229 0.70 5.91 ? 602 CU A CU 1 HETATM 7086 CU CU B CU C 2 . ? 16.255 -1.079 7.067 0.20 9.21 ? 602 CU A CU 1 HETATM 7087 CU CU . CU D 2 . ? 15.815 -4.281 5.162 0.80 6.48 ? 603 CU A CU 1 HETATM 7088 CU CU . CU E 2 . ? 10.301 8.678 1.409 0.90 6.81 ? 604 CU A CU 1 HETATM 7089 NA NA . NA F 3 . ? 21.912 -10.030 -18.376 0.50 13.15 ? 605 NA A NA 1 HETATM 7090 C C1 . NAG G 4 . ? 9.288 3.994 -16.245 1.00 11.44 ? 606 NAG A C1 1 HETATM 7091 C C2 . NAG G 4 . ? 8.285 4.893 -17.004 1.00 13.41 ? 606 NAG A C2 1 HETATM 7092 C C3 . NAG G 4 . ? 7.026 4.086 -17.333 1.00 14.10 ? 606 NAG A C3 1 HETATM 7093 C C4 . NAG G 4 . ? 7.380 2.749 -17.963 1.00 12.65 ? 606 NAG A C4 1 HETATM 7094 C C5 . NAG G 4 . ? 8.411 2.042 -17.089 1.00 12.03 ? 606 NAG A C5 1 HETATM 7095 C C6 . NAG G 4 . ? 8.828 0.723 -17.702 1.00 13.02 ? 606 NAG A C6 1 HETATM 7096 C C7 . NAG G 4 . ? 8.505 7.233 -16.344 1.00 15.13 ? 606 NAG A C7 1 HETATM 7097 C C8 . NAG G 4 . ? 7.959 8.314 -15.462 1.00 16.97 ? 606 NAG A C8 1 HETATM 7098 N N2 . NAG G 4 . ? 7.911 6.049 -16.223 1.00 14.21 ? 606 NAG A N2 1 HETATM 7099 O O3 . NAG G 4 . ? 6.222 4.903 -18.166 1.00 18.51 ? 606 NAG A O3 1 HETATM 7100 O O4 . NAG G 4 . ? 6.218 1.946 -17.994 1.00 14.41 ? 606 NAG A O4 1 HETATM 7101 O O5 . NAG G 4 . ? 9.573 2.856 -16.944 1.00 11.30 ? 606 NAG A O5 1 HETATM 7102 O O6 . NAG G 4 . ? 9.806 0.104 -16.906 1.00 13.07 ? 606 NAG A O6 1 HETATM 7103 O O7 . NAG G 4 . ? 9.415 7.474 -17.157 1.00 16.60 ? 606 NAG A O7 1 HETATM 7104 H H1 . NAG G 4 . ? 8.837 3.714 -15.293 1.00 13.01 ? 606 NAG A H1 1 HETATM 7105 H H2 . NAG G 4 . ? 8.737 5.210 -17.944 1.00 13.15 ? 606 NAG A H2 1 HETATM 7106 H H3 . NAG G 4 . ? 6.495 3.873 -16.406 1.00 33.23 ? 606 NAG A H3 1 HETATM 7107 H H4 . NAG G 4 . ? 7.763 2.929 -18.969 1.00 13.11 ? 606 NAG A H4 1 HETATM 7108 H H5 . NAG G 4 . ? 7.951 1.832 -16.125 1.00 13.01 ? 606 NAG A H5 1 HETATM 7109 H H61 . NAG G 4 . ? 9.194 0.897 -18.714 1.00 15.29 ? 606 NAG A H61 1 HETATM 7110 H H62 . NAG G 4 . ? 7.964 0.064 -17.771 1.00 15.29 ? 606 NAG A H62 1 HETATM 7111 H H81 . NAG G 4 . ? 7.865 9.236 -16.036 1.00 33.21 ? 606 NAG A H81 1 HETATM 7112 H H82 . NAG G 4 . ? 8.632 8.477 -14.621 1.00 33.21 ? 606 NAG A H82 1 HETATM 7113 H H83 . NAG G 4 . ? 6.967 8.048 -15.098 1.00 33.24 ? 606 NAG A H83 1 HETATM 7114 H HN2 . NAG G 4 . ? 7.167 5.931 -15.551 1.00 33.23 ? 606 NAG A HN2 1 HETATM 7115 C C1 . NAG H 4 . ? 5.572 1.839 -19.209 1.00 20.41 ? 607 NAG A C1 1 HETATM 7116 C C2 . NAG H 4 . ? 4.789 0.507 -19.247 1.00 21.27 ? 607 NAG A C2 1 HETATM 7117 C C3 . NAG H 4 . ? 3.959 0.497 -20.520 1.00 32.51 ? 607 NAG A C3 1 HETATM 7118 C C4 . NAG H 4 . ? 3.154 1.797 -20.734 1.00 45.50 ? 607 NAG A C4 1 HETATM 7119 C C5 . NAG H 4 . ? 4.090 3.005 -20.559 1.00 39.96 ? 607 NAG A C5 1 HETATM 7120 C C6 . NAG H 4 . ? 3.381 4.346 -20.741 1.00 40.54 ? 607 NAG A C6 1 HETATM 7121 C C7 . NAG H 4 . ? 5.454 -1.559 -18.068 1.00 31.97 ? 607 NAG A C7 1 HETATM 7122 C C8 . NAG H 4 . ? 6.527 -2.640 -17.780 1.00 28.21 ? 607 NAG A C8 1 HETATM 7123 N N2 . NAG H 4 . ? 5.709 -0.645 -19.043 1.00 26.94 ? 607 NAG A N2 1 HETATM 7124 O O3 . NAG H 4 . ? 3.136 -0.674 -20.477 1.00 33.90 ? 607 NAG A O3 1 HETATM 7125 O O4 . NAG H 4 . ? 2.462 1.820 -21.990 1.00 51.44 ? 607 NAG A O4 1 HETATM 7126 O O5 . NAG H 4 . ? 4.680 2.948 -19.241 1.00 27.38 ? 607 NAG A O5 1 HETATM 7127 O O6 . NAG H 4 . ? 3.088 4.902 -19.477 1.00 45.38 ? 607 NAG A O6 1 HETATM 7128 O O7 . NAG H 4 . ? 4.411 -1.494 -17.370 1.00 39.44 ? 607 NAG A O7 1 HETATM 7129 C C1 . NAG I 4 . ? 24.046 7.996 -17.153 1.00 10.53 ? 608 NAG A C1 1 HETATM 7130 C C2 . NAG I 4 . ? 25.515 8.302 -17.025 1.00 11.64 ? 608 NAG A C2 1 HETATM 7131 C C3 . NAG I 4 . ? 26.246 7.557 -18.123 1.00 11.68 ? 608 NAG A C3 1 HETATM 7132 C C4 . NAG I 4 . ? 25.899 6.074 -18.113 1.00 11.21 ? 608 NAG A C4 1 HETATM 7133 C C5 . NAG I 4 . ? 24.422 5.860 -18.067 1.00 10.79 ? 608 NAG A C5 1 HETATM 7134 C C6 . NAG I 4 . ? 24.033 4.415 -17.886 1.00 10.02 ? 608 NAG A C6 1 HETATM 7135 C C7 . NAG I 4 . ? 26.504 10.441 -16.370 1.00 13.32 ? 608 NAG A C7 1 HETATM 7136 C C8 . NAG I 4 . ? 26.542 11.916 -16.681 1.00 16.68 ? 608 NAG A C8 1 HETATM 7137 N N2 . NAG I 4 . ? 25.720 9.723 -17.170 1.00 12.16 ? 608 NAG A N2 1 HETATM 7138 O O3 . NAG I 4 . ? 27.636 7.766 -17.945 1.00 13.58 ? 608 NAG A O3 1 HETATM 7139 O O4 . NAG I 4 . ? 26.346 5.496 -19.347 1.00 11.81 ? 608 NAG A O4 1 HETATM 7140 O O5 . NAG I 4 . ? 23.874 6.607 -17.001 1.00 10.48 ? 608 NAG A O5 1 HETATM 7141 O O6 . NAG I 4 . ? 24.504 3.895 -16.660 1.00 10.47 ? 608 NAG A O6 1 HETATM 7142 O O7 . NAG I 4 . ? 27.170 9.934 -15.486 1.00 15.18 ? 608 NAG A O7 1 HETATM 7143 H H2 . NAG I 4 . ? 25.841 7.980 -16.037 1.00 11.69 ? 608 NAG A H2 1 HETATM 7144 H H3 . NAG I 4 . ? 25.943 7.969 -19.086 1.00 11.69 ? 608 NAG A H3 1 HETATM 7145 H H4 . NAG I 4 . ? 26.413 5.615 -17.268 1.00 14.20 ? 608 NAG A H4 1 HETATM 7146 H H5 . NAG I 4 . ? 24.011 6.187 -19.023 1.00 11.08 ? 608 NAG A H5 1 HETATM 7147 H H61 . NAG I 4 . ? 24.459 3.809 -18.683 1.00 11.08 ? 608 NAG A H61 1 HETATM 7148 H H62 . NAG I 4 . ? 22.949 4.319 -17.933 1.00 11.08 ? 608 NAG A H62 1 HETATM 7149 H H81 . NAG I 4 . ? 27.433 12.364 -16.240 1.00 16.43 ? 608 NAG A H81 1 HETATM 7150 H H82 . NAG I 4 . ? 25.652 12.399 -16.278 1.00 16.43 ? 608 NAG A H82 1 HETATM 7151 H H83 . NAG I 4 . ? 26.584 12.065 -17.760 1.00 16.43 ? 608 NAG A H83 1 HETATM 7152 H HN2 . NAG I 4 . ? 25.188 10.200 -17.885 1.00 16.43 ? 608 NAG A HN2 1 HETATM 7153 C C1 . NAG J 4 . ? 27.432 4.658 -19.321 1.00 13.88 ? 609 NAG A C1 1 HETATM 7154 C C2 . NAG J 4 . ? 27.416 3.806 -20.576 1.00 14.07 ? 609 NAG A C2 1 HETATM 7155 C C3 . NAG J 4 . ? 28.679 2.989 -20.697 1.00 17.81 ? 609 NAG A C3 1 HETATM 7156 C C4 . NAG J 4 . ? 29.865 3.883 -20.485 1.00 18.89 ? 609 NAG A C4 1 HETATM 7157 C C5 . NAG J 4 . ? 29.716 4.705 -19.221 1.00 19.82 ? 609 NAG A C5 1 HETATM 7158 C C6 . NAG J 4 . ? 30.880 5.618 -18.873 1.00 29.18 ? 609 NAG A C6 1 HETATM 7159 C C7 . NAG J 4 . ? 25.149 3.227 -21.300 1.00 14.52 ? 609 NAG A C7 1 HETATM 7160 C C8 . NAG J 4 . ? 24.054 2.193 -21.247 1.00 18.23 ? 609 NAG A C8 1 HETATM 7161 N N2 . NAG J 4 . ? 26.258 2.929 -20.619 1.00 13.99 ? 609 NAG A N2 1 HETATM 7162 O O3 . NAG J 4 . ? 28.709 2.405 -21.974 1.00 21.12 ? 609 NAG A O3 1 HETATM 7163 O O4 . NAG J 4 . ? 31.012 3.068 -20.375 1.00 27.42 ? 609 NAG A O4 1 HETATM 7164 O O5 . NAG J 4 . ? 28.562 5.502 -19.360 1.00 15.58 ? 609 NAG A O5 1 HETATM 7165 O O6 . NAG J 4 . ? 31.143 6.471 -19.961 1.00 31.28 ? 609 NAG A O6 1 HETATM 7166 O O7 . NAG J 4 . ? 25.016 4.272 -21.920 1.00 16.54 ? 609 NAG A O7 1 HETATM 7167 H H1 . NAG J 4 . ? 27.423 4.032 -18.430 1.00 14.20 ? 609 NAG A H1 1 HETATM 7168 H H2 . NAG J 4 . ? 27.424 4.460 -21.447 1.00 13.83 ? 609 NAG A H2 1 HETATM 7169 H H3 . NAG J 4 . ? 28.661 2.203 -19.944 1.00 30.71 ? 609 NAG A H3 1 HETATM 7170 H H4 . NAG J 4 . ? 29.962 4.528 -21.357 1.00 17.62 ? 609 NAG A H4 1 HETATM 7171 H H5 . NAG J 4 . ? 29.621 3.997 -18.399 1.00 14.20 ? 609 NAG A H5 1 HETATM 7172 H H61 . NAG J 4 . ? 31.753 5.014 -18.625 1.00 23.10 ? 609 NAG A H61 1 HETATM 7173 H H62 . NAG J 4 . ? 30.630 6.219 -18.000 1.00 23.10 ? 609 NAG A H62 1 HETATM 7174 H H81 . NAG J 4 . ? 23.984 1.703 -22.216 1.00 30.72 ? 609 NAG A H81 1 HETATM 7175 H H82 . NAG J 4 . ? 23.110 2.695 -21.038 1.00 30.72 ? 609 NAG A H82 1 HETATM 7176 H H83 . NAG J 4 . ? 24.256 1.467 -20.460 1.00 30.72 ? 609 NAG A H83 1 HETATM 7177 H HN2 . NAG J 4 . ? 26.322 2.050 -20.125 1.00 30.71 ? 609 NAG A HN2 1 HETATM 7178 C C4 . PG6 K 5 . ? 17.440 -13.032 -21.035 0.50 23.41 ? 610 PG6 A C4 1 HETATM 7179 C C5 . PG6 K 5 . ? 16.598 -13.555 -19.867 0.50 20.71 ? 610 PG6 A C5 1 HETATM 7180 O O3 . PG6 K 5 . ? 15.337 -12.879 -19.816 0.50 17.64 ? 610 PG6 A O3 1 HETATM 7181 C C6 . PG6 K 5 . ? 14.521 -13.303 -18.760 0.50 20.65 ? 610 PG6 A C6 1 HETATM 7182 C C7 . PG6 K 5 . ? 13.169 -12.602 -18.893 0.50 19.15 ? 610 PG6 A C7 1 HETATM 7183 O O4 . PG6 K 5 . ? 12.547 -12.691 -20.172 0.50 18.64 ? 610 PG6 A O4 1 HETATM 7184 C C8 . PG6 K 5 . ? 11.359 -11.902 -20.170 0.50 19.89 ? 610 PG6 A C8 1 HETATM 7185 C C9 . PG6 K 5 . ? 10.655 -12.257 -21.473 0.50 17.78 ? 610 PG6 A C9 1 HETATM 7186 O O5 . PG6 K 5 . ? 10.258 -13.615 -21.512 0.50 21.28 ? 610 PG6 A O5 1 HETATM 7187 O O3 . PG6 L 5 . ? -2.444 10.608 -4.344 0.50 29.39 ? 611 PG6 A O3 1 HETATM 7188 C C6 . PG6 L 5 . ? -2.683 9.978 -3.059 0.50 22.66 ? 611 PG6 A C6 1 HETATM 7189 C C7 . PG6 L 5 . ? -1.333 9.522 -2.475 0.50 22.59 ? 611 PG6 A C7 1 HETATM 7190 O O4 . PG6 L 5 . ? -1.255 8.889 -1.190 0.50 18.26 ? 611 PG6 A O4 1 HETATM 7191 O O . HOH M 6 . ? 7.103 -24.185 -4.429 0.30 10.10 ? 701 HOH A O 1 HETATM 7192 O O . HOH M 6 . ? 40.840 -14.593 0.381 0.50 15.39 ? 702 HOH A O 1 HETATM 7193 O O . HOH M 6 . ? 9.264 -22.769 -5.043 0.30 11.29 ? 703 HOH A O 1 HETATM 7194 O O . HOH M 6 . ? 35.885 -5.991 -11.746 0.50 20.56 ? 704 HOH A O 1 HETATM 7195 O O . HOH M 6 . ? 48.380 6.287 3.088 0.50 16.83 ? 705 HOH A O 1 HETATM 7196 O O . HOH M 6 . ? 48.167 5.071 0.720 0.50 15.93 ? 706 HOH A O 1 HETATM 7197 O O . HOH M 6 . ? 3.192 3.834 14.207 0.50 19.38 ? 707 HOH A O 1 HETATM 7198 O O . HOH M 6 . ? -2.584 9.851 0.005 0.50 14.11 ? 708 HOH A O 1 HETATM 7199 O O . HOH M 6 . ? 16.985 -19.429 21.986 0.50 21.94 ? 709 HOH A O 1 HETATM 7200 O O . HOH M 6 . ? 10.837 -17.301 -5.053 0.50 14.95 ? 710 HOH A O 1 HETATM 7201 O O . HOH M 6 . ? 48.132 2.776 14.109 1.00 28.62 ? 711 HOH A O 1 HETATM 7202 O O . HOH M 6 . ? 13.214 -12.420 -17.908 0.50 19.51 ? 712 HOH A O 1 HETATM 7203 O O . HOH M 6 . ? -0.028 -22.028 -2.228 0.50 24.59 ? 713 HOH A O 1 HETATM 7204 O O . HOH M 6 . ? 4.157 -0.717 21.894 1.00 31.17 ? 714 HOH A O 1 HETATM 7205 O O . HOH M 6 . ? 10.627 -14.578 26.652 1.00 22.96 ? 715 HOH A O 1 HETATM 7206 O O . HOH M 6 . ? 6.924 -25.687 -1.734 1.00 17.47 ? 716 HOH A O 1 HETATM 7207 O O . HOH M 6 . ? 3.175 -2.642 18.967 1.00 29.24 ? 717 HOH A O 1 HETATM 7208 O O . HOH M 6 . ? 3.497 -9.347 -9.556 1.00 29.81 ? 718 HOH A O 1 HETATM 7209 O O . HOH M 6 . ? 26.918 20.707 25.832 1.00 35.69 ? 719 HOH A O 1 HETATM 7210 O O . HOH M 6 . ? 51.799 6.698 14.914 1.00 34.80 ? 720 HOH A O 1 HETATM 7211 O O . HOH M 6 . ? 23.613 11.558 -5.350 1.00 21.68 ? 721 HOH A O 1 HETATM 7212 O O . HOH M 6 . ? 22.234 -11.177 28.804 1.00 32.49 ? 722 HOH A O 1 HETATM 7213 O O . HOH M 6 . ? 18.817 21.595 17.259 1.00 26.61 ? 723 HOH A O 1 HETATM 7214 O O . HOH M 6 . ? 39.186 -13.158 -2.461 0.50 17.62 ? 724 HOH A O 1 HETATM 7215 O O . HOH M 6 . ? 38.228 -7.476 6.708 0.50 15.91 ? 725 HOH A O 1 HETATM 7216 O O . HOH M 6 . ? 45.586 2.450 12.870 1.00 25.78 ? 726 HOH A O 1 HETATM 7217 O O . HOH M 6 . ? 34.630 23.224 18.429 1.00 32.17 ? 727 HOH A O 1 HETATM 7218 O O . HOH M 6 . ? -1.045 -3.369 17.690 1.00 25.74 ? 728 HOH A O 1 HETATM 7219 O O . HOH M 6 . ? 29.943 0.232 16.835 0.50 16.35 ? 729 HOH A O 1 HETATM 7220 O O . HOH M 6 . ? 42.616 -8.117 -2.447 1.00 25.53 ? 730 HOH A O 1 HETATM 7221 O O . HOH M 6 . ? 15.693 15.180 5.028 1.00 18.32 ? 731 HOH A O 1 HETATM 7222 O O . HOH M 6 . ? 19.025 -17.253 23.974 1.00 36.54 ? 732 HOH A O 1 HETATM 7223 O O . HOH M 6 . ? -2.590 12.403 6.969 1.00 30.68 ? 733 HOH A O 1 HETATM 7224 O O . HOH M 6 . ? 27.037 -2.294 24.289 1.00 38.49 ? 734 HOH A O 1 HETATM 7225 O O . HOH M 6 . ? 50.238 10.815 5.957 1.00 20.03 ? 735 HOH A O 1 HETATM 7226 O O . HOH M 6 . ? -3.511 -1.043 -6.185 1.00 28.14 ? 736 HOH A O 1 HETATM 7227 O O . HOH M 6 . ? 24.283 6.882 -2.392 1.00 7.63 ? 737 HOH A O 1 HETATM 7228 O O . HOH M 6 . ? 12.308 13.324 -5.094 0.50 15.59 ? 738 HOH A O 1 HETATM 7229 O O . HOH M 6 . ? 36.138 2.970 -11.181 0.50 21.03 ? 739 HOH A O 1 HETATM 7230 O O . HOH M 6 . ? 34.578 14.651 -11.748 1.00 31.38 ? 740 HOH A O 1 HETATM 7231 O O . HOH M 6 . ? 38.394 -7.029 5.642 0.50 11.38 ? 741 HOH A O 1 HETATM 7232 O O . HOH M 6 . ? 13.535 -21.275 9.379 1.00 12.93 ? 742 HOH A O 1 HETATM 7233 O O . HOH M 6 . ? 16.508 -18.019 24.049 1.00 40.93 ? 743 HOH A O 1 HETATM 7234 O O . HOH M 6 . ? 43.118 -14.804 1.290 0.50 22.38 ? 744 HOH A O 1 HETATM 7235 O O . HOH M 6 . ? 45.905 24.152 11.705 1.00 36.41 ? 745 HOH A O 1 HETATM 7236 O O . HOH M 6 . ? 28.237 7.334 -14.861 1.00 14.52 ? 746 HOH A O 1 HETATM 7237 O O . HOH M 6 . ? 28.506 18.395 -4.197 1.00 32.39 ? 747 HOH A O 1 HETATM 7238 O O . HOH M 6 . ? 34.325 11.788 -10.669 1.00 20.85 ? 748 HOH A O 1 HETATM 7239 O O . HOH M 6 . ? 30.947 11.130 -12.458 1.00 17.66 ? 749 HOH A O 1 HETATM 7240 O O . HOH M 6 . ? 3.919 -3.441 -15.683 1.00 33.34 ? 750 HOH A O 1 HETATM 7241 O O . HOH M 6 . ? 48.529 -4.734 4.757 1.00 14.63 ? 751 HOH A O 1 HETATM 7242 O O . HOH M 6 . ? 13.550 -15.974 -16.320 1.00 25.39 ? 752 HOH A O 1 HETATM 7243 O O . HOH M 6 . ? 29.119 4.340 15.234 1.00 19.05 ? 753 HOH A O 1 HETATM 7244 O O . HOH M 6 . ? 25.977 8.559 21.487 1.00 21.39 ? 754 HOH A O 1 HETATM 7245 O O . HOH M 6 . ? 32.409 -16.101 13.734 1.00 27.24 ? 755 HOH A O 1 HETATM 7246 O O . HOH M 6 . ? 41.795 2.507 13.372 1.00 38.92 ? 756 HOH A O 1 HETATM 7247 O O . HOH M 6 . ? 2.638 -20.270 13.914 1.00 34.12 ? 757 HOH A O 1 HETATM 7248 O O . HOH M 6 . ? 18.321 -4.967 30.651 1.00 28.16 ? 758 HOH A O 1 HETATM 7249 O O . HOH M 6 . ? 14.509 -23.545 3.752 0.50 20.47 ? 759 HOH A O 1 HETATM 7250 O O . HOH M 6 . ? 20.230 -1.623 26.137 1.00 12.71 ? 760 HOH A O 1 HETATM 7251 O O . HOH M 6 . ? 22.417 -14.563 3.535 1.00 10.49 ? 761 HOH A O 1 HETATM 7252 O O . HOH M 6 . ? 52.982 5.900 10.647 1.00 30.87 ? 762 HOH A O 1 HETATM 7253 O O . HOH M 6 . ? 25.890 1.625 -11.317 1.00 8.78 ? 763 HOH A O 1 HETATM 7254 O O . HOH M 6 . ? 25.060 -23.118 14.413 1.00 36.44 ? 764 HOH A O 1 HETATM 7255 O O . HOH M 6 . ? 13.375 -14.044 28.221 1.00 28.49 ? 765 HOH A O 1 HETATM 7256 O O . HOH M 6 . ? 13.159 -18.162 1.755 1.00 10.49 ? 766 HOH A O 1 HETATM 7257 O O . HOH M 6 . ? 47.352 12.707 18.645 1.00 36.79 ? 767 HOH A O 1 HETATM 7258 O O . HOH M 6 . ? 5.272 -4.446 25.514 1.00 12.63 ? 768 HOH A O 1 HETATM 7259 O O . HOH M 6 . ? 49.755 5.255 2.584 1.00 26.21 ? 769 HOH A O 1 HETATM 7260 O O . HOH M 6 . ? 20.282 10.138 -20.287 1.00 30.22 ? 770 HOH A O 1 HETATM 7261 O O . HOH M 6 . ? 6.103 -21.286 -6.712 1.00 25.46 ? 771 HOH A O 1 HETATM 7262 O O . HOH M 6 . ? 19.750 14.724 22.361 1.00 12.42 ? 772 HOH A O 1 HETATM 7263 O O . HOH M 6 . ? 12.621 -7.029 31.120 1.00 26.98 ? 773 HOH A O 1 HETATM 7264 O O . HOH M 6 . ? 42.109 8.298 0.833 1.00 18.16 ? 774 HOH A O 1 HETATM 7265 O O . HOH M 6 . ? 27.592 -10.249 -17.519 1.00 27.23 ? 775 HOH A O 1 HETATM 7266 O O . HOH M 6 . ? 10.475 -11.226 12.044 1.00 8.56 ? 776 HOH A O 1 HETATM 7267 O O . HOH M 6 . ? 22.117 3.621 -15.527 1.00 11.04 ? 777 HOH A O 1 HETATM 7268 O O . HOH M 6 . ? 6.034 1.903 10.397 1.00 30.17 ? 778 HOH A O 1 HETATM 7269 O O . HOH M 6 . ? 34.254 3.274 14.830 1.00 29.31 ? 779 HOH A O 1 HETATM 7270 O O . HOH M 6 . ? 35.032 -2.912 10.292 1.00 10.87 ? 780 HOH A O 1 HETATM 7271 O O . HOH M 6 . ? 0.687 10.997 8.253 1.00 32.48 ? 781 HOH A O 1 HETATM 7272 O O . HOH M 6 . ? 21.611 9.021 5.100 1.00 7.68 ? 782 HOH A O 1 HETATM 7273 O O . HOH M 6 . ? 43.302 10.266 18.492 1.00 27.54 ? 783 HOH A O 1 HETATM 7274 O O . HOH M 6 . ? 43.663 21.177 10.776 1.00 15.07 ? 784 HOH A O 1 HETATM 7275 O O . HOH M 6 . ? 47.812 16.866 -0.149 1.00 30.25 ? 785 HOH A O 1 HETATM 7276 O O . HOH M 6 . ? 1.902 -1.975 -10.050 1.00 23.79 ? 786 HOH A O 1 HETATM 7277 O O . HOH M 6 . ? 15.516 21.125 21.385 1.00 34.90 ? 787 HOH A O 1 HETATM 7278 O O . HOH M 6 . ? 31.640 8.842 -15.336 1.00 29.93 ? 788 HOH A O 1 HETATM 7279 O O . HOH M 6 . ? 14.451 -16.099 23.947 1.00 28.98 ? 789 HOH A O 1 HETATM 7280 O O . HOH M 6 . ? 1.858 -24.180 -0.252 1.00 33.17 ? 790 HOH A O 1 HETATM 7281 O O . HOH M 6 . ? 13.032 13.894 2.664 0.50 12.99 ? 791 HOH A O 1 HETATM 7282 O O . HOH M 6 . ? 50.413 1.737 3.295 1.00 19.04 ? 792 HOH A O 1 HETATM 7283 O O . HOH M 6 . ? 8.753 8.267 20.775 1.00 10.73 ? 793 HOH A O 1 HETATM 7284 O O . HOH M 6 . ? 12.441 7.356 -10.107 1.00 8.01 ? 794 HOH A O 1 HETATM 7285 O O . HOH M 6 . ? 19.032 -11.965 -10.196 1.00 17.26 ? 795 HOH A O 1 HETATM 7286 O O . HOH M 6 . ? 9.128 14.619 22.886 1.00 16.71 ? 796 HOH A O 1 HETATM 7287 O O . HOH M 6 . ? 5.918 17.251 20.730 1.00 37.65 ? 797 HOH A O 1 HETATM 7288 O O . HOH M 6 . ? 7.537 12.980 -11.422 1.00 24.49 ? 798 HOH A O 1 HETATM 7289 O O . HOH M 6 . ? 27.897 -10.897 23.588 1.00 25.18 ? 799 HOH A O 1 HETATM 7290 O O . HOH M 6 . ? 45.904 2.850 -1.612 1.00 20.06 ? 800 HOH A O 1 HETATM 7291 O O . HOH M 6 . ? 20.537 1.014 29.123 1.00 22.45 ? 801 HOH A O 1 HETATM 7292 O O . HOH M 6 . ? 2.609 -13.831 -8.533 1.00 28.05 ? 802 HOH A O 1 HETATM 7293 O O . HOH M 6 . ? 21.072 -18.617 20.888 1.00 27.27 ? 803 HOH A O 1 HETATM 7294 O O . HOH M 6 . ? 20.970 14.903 10.640 1.00 9.84 ? 804 HOH A O 1 HETATM 7295 O O . HOH M 6 . ? 34.825 -5.978 0.131 1.00 10.74 ? 805 HOH A O 1 HETATM 7296 O O . HOH M 6 . ? 28.150 2.756 20.118 1.00 29.13 ? 806 HOH A O 1 HETATM 7297 O O . HOH M 6 . ? 41.224 6.691 -1.406 1.00 32.78 ? 807 HOH A O 1 HETATM 7298 O O . HOH M 6 . ? 16.766 7.101 -21.659 1.00 27.37 ? 808 HOH A O 1 HETATM 7299 O O . HOH M 6 . ? 7.132 -11.491 23.074 1.00 13.63 ? 809 HOH A O 1 HETATM 7300 O O . HOH M 6 . ? 20.556 -16.000 26.135 1.00 32.60 ? 810 HOH A O 1 HETATM 7301 O O . HOH M 6 . ? 21.652 -15.992 21.334 1.00 14.15 ? 811 HOH A O 1 HETATM 7302 O O . HOH M 6 . ? 23.263 4.489 -23.933 1.00 17.43 ? 812 HOH A O 1 HETATM 7303 O O . HOH M 6 . ? 5.445 6.471 -9.305 1.00 17.28 ? 813 HOH A O 1 HETATM 7304 O O . HOH M 6 . ? 36.406 13.825 0.948 1.00 17.59 ? 814 HOH A O 1 HETATM 7305 O O . HOH M 6 . ? 1.453 -17.595 15.700 1.00 18.93 ? 815 HOH A O 1 HETATM 7306 O O . HOH M 6 . ? 31.470 9.115 -8.998 1.00 12.47 ? 816 HOH A O 1 HETATM 7307 O O . HOH M 6 . ? 35.210 5.222 12.652 1.00 30.63 ? 817 HOH A O 1 HETATM 7308 O O . HOH M 6 . ? 20.733 1.032 -21.786 1.00 14.42 ? 818 HOH A O 1 HETATM 7309 O O . HOH M 6 . ? 14.205 -20.598 0.833 1.00 14.00 ? 819 HOH A O 1 HETATM 7310 O O . HOH M 6 . ? 16.612 12.840 29.423 1.00 15.95 ? 820 HOH A O 1 HETATM 7311 O O . HOH M 6 . ? 13.065 14.674 24.611 1.00 34.18 ? 821 HOH A O 1 HETATM 7312 O O . HOH M 6 . ? 19.715 6.418 -7.638 1.00 8.03 ? 822 HOH A O 1 HETATM 7313 O O . HOH M 6 . ? 25.423 17.881 14.080 1.00 8.89 ? 823 HOH A O 1 HETATM 7314 O O . HOH M 6 . ? 17.386 -20.281 18.402 1.00 22.50 ? 824 HOH A O 1 HETATM 7315 O O . HOH M 6 . ? 24.978 5.071 26.596 1.00 31.82 ? 825 HOH A O 1 HETATM 7316 O O . HOH M 6 . ? 27.387 -9.505 0.324 1.00 13.04 ? 826 HOH A O 1 HETATM 7317 O O . HOH M 6 . ? 11.435 6.174 -18.360 1.00 16.10 ? 827 HOH A O 1 HETATM 7318 O O . HOH M 6 . ? 39.116 24.958 14.301 1.00 17.54 ? 828 HOH A O 1 HETATM 7319 O O . HOH M 6 . ? 50.902 11.158 0.416 0.50 20.99 ? 829 HOH A O 1 HETATM 7320 O O . HOH M 6 . ? 44.316 0.717 -1.648 1.00 15.04 ? 830 HOH A O 1 HETATM 7321 O O . HOH M 6 . ? 35.762 20.316 19.716 1.00 18.81 ? 831 HOH A O 1 HETATM 7322 O O . HOH M 6 . ? 33.177 4.330 -13.135 1.00 27.58 ? 832 HOH A O 1 HETATM 7323 O O . HOH M 6 . ? 39.842 15.459 -1.538 1.00 30.17 ? 833 HOH A O 1 HETATM 7324 O O . HOH M 6 . ? 28.482 -7.593 -15.676 1.00 22.28 ? 834 HOH A O 1 HETATM 7325 O O . HOH M 6 . ? 42.692 -0.593 14.758 1.00 31.36 ? 835 HOH A O 1 HETATM 7326 O O . HOH M 6 . ? 12.132 10.586 -4.694 1.00 13.69 ? 836 HOH A O 1 HETATM 7327 O O . HOH M 6 . ? 32.984 19.008 24.744 1.00 30.45 ? 837 HOH A O 1 HETATM 7328 O O . HOH M 6 . ? 14.353 17.307 -1.722 1.00 26.91 ? 838 HOH A O 1 HETATM 7329 O O . HOH M 6 . ? 39.206 18.455 0.768 0.50 13.43 ? 839 HOH A O 1 HETATM 7330 O O . HOH M 6 . ? 2.131 -5.051 23.906 1.00 32.98 ? 840 HOH A O 1 HETATM 7331 O O . HOH M 6 . ? 46.676 20.245 14.431 1.00 35.12 ? 841 HOH A O 1 HETATM 7332 O O . HOH M 6 . ? 14.256 -1.047 -17.247 1.00 11.66 ? 842 HOH A O 1 HETATM 7333 O O . HOH M 6 . ? 8.805 -2.142 -15.591 1.00 13.77 ? 843 HOH A O 1 HETATM 7334 O O . HOH M 6 . ? 33.267 -8.146 2.294 1.00 9.81 ? 844 HOH A O 1 HETATM 7335 O O . HOH M 6 . ? 17.199 -20.684 12.147 1.00 26.05 ? 845 HOH A O 1 HETATM 7336 O O . HOH M 6 . ? 12.282 3.053 7.388 1.00 12.54 ? 846 HOH A O 1 HETATM 7337 O O . HOH M 6 . ? -5.240 -13.254 5.200 1.00 20.56 ? 847 HOH A O 1 HETATM 7338 O O . HOH M 6 . ? 3.323 -15.529 15.955 1.00 14.88 ? 848 HOH A O 1 HETATM 7339 O O . HOH M 6 . ? 16.331 16.351 9.278 1.00 12.16 ? 849 HOH A O 1 HETATM 7340 O O . HOH M 6 . ? 15.850 -8.797 4.603 1.00 8.17 ? 850 HOH A O 1 HETATM 7341 O O . HOH M 6 . ? 35.230 18.042 2.557 1.00 11.14 ? 851 HOH A O 1 HETATM 7342 O O . HOH M 6 . ? 31.606 28.054 13.850 1.00 28.05 ? 852 HOH A O 1 HETATM 7343 O O . HOH M 6 . ? 5.953 -15.178 23.829 1.00 34.93 ? 853 HOH A O 1 HETATM 7344 O O . HOH M 6 . ? 11.798 17.031 15.321 1.00 29.10 ? 854 HOH A O 1 HETATM 7345 O O . HOH M 6 . ? 35.416 -6.844 19.144 1.00 34.92 ? 855 HOH A O 1 HETATM 7346 O O . HOH M 6 . ? 22.893 12.656 -15.301 1.00 22.77 ? 856 HOH A O 1 HETATM 7347 O O . HOH M 6 . ? 3.844 -7.486 -14.695 1.00 33.33 ? 857 HOH A O 1 HETATM 7348 O O . HOH M 6 . ? 16.160 10.539 -15.128 1.00 12.26 ? 858 HOH A O 1 HETATM 7349 O O . HOH M 6 . ? 17.732 -6.228 1.597 1.00 9.58 ? 859 HOH A O 1 HETATM 7350 O O . HOH M 6 . ? -0.292 5.624 -5.217 1.00 12.39 ? 860 HOH A O 1 HETATM 7351 O O . HOH M 6 . ? 39.187 20.230 1.589 0.50 23.35 ? 861 HOH A O 1 HETATM 7352 O O . HOH M 6 . ? 32.258 1.300 15.823 1.00 21.25 ? 862 HOH A O 1 HETATM 7353 O O . HOH M 6 . ? -0.582 15.037 -4.144 1.00 20.85 ? 863 HOH A O 1 HETATM 7354 O O . HOH M 6 . ? 32.495 -13.735 -15.592 1.00 37.67 ? 864 HOH A O 1 HETATM 7355 O O . HOH M 6 . ? 21.905 -11.387 -4.776 1.00 24.53 ? 865 HOH A O 1 HETATM 7356 O O . HOH M 6 . ? 20.984 5.661 -4.392 1.00 8.01 ? 866 HOH A O 1 HETATM 7357 O O . HOH M 6 . ? 35.091 12.008 21.193 1.00 18.66 ? 867 HOH A O 1 HETATM 7358 O O . HOH M 6 . ? 4.652 -7.579 28.564 1.00 17.77 ? 868 HOH A O 1 HETATM 7359 O O . HOH M 6 . ? 14.369 14.589 9.613 1.00 12.80 ? 869 HOH A O 1 HETATM 7360 O O . HOH M 6 . ? 28.357 15.641 21.726 1.00 16.33 ? 870 HOH A O 1 HETATM 7361 O O . HOH M 6 . ? 33.349 -9.936 0.134 1.00 10.46 ? 871 HOH A O 1 HETATM 7362 O O . HOH M 6 . ? 28.762 17.656 14.881 1.00 9.64 ? 872 HOH A O 1 HETATM 7363 O O . HOH M 6 . ? -6.725 -8.632 0.391 1.00 23.99 ? 873 HOH A O 1 HETATM 7364 O O . HOH M 6 . ? 30.978 4.112 -15.373 1.00 25.41 ? 874 HOH A O 1 HETATM 7365 O O . HOH M 6 . ? 31.512 -6.535 0.985 1.00 9.50 ? 875 HOH A O 1 HETATM 7366 O O . HOH M 6 . ? 31.216 23.045 0.276 1.00 20.45 ? 876 HOH A O 1 HETATM 7367 O O . HOH M 6 . ? -1.869 -11.148 15.277 1.00 27.63 ? 877 HOH A O 1 HETATM 7368 O O . HOH M 6 . ? 8.481 -8.356 -21.571 1.00 33.83 ? 878 HOH A O 1 HETATM 7369 O O . HOH M 6 . ? 8.897 -4.002 -23.062 1.00 28.45 ? 879 HOH A O 1 HETATM 7370 O O . HOH M 6 . ? 5.042 -11.110 21.394 1.00 12.89 ? 880 HOH A O 1 HETATM 7371 O O . HOH M 6 . ? 18.623 11.322 -5.486 1.00 11.87 ? 881 HOH A O 1 HETATM 7372 O O . HOH M 6 . ? 19.740 -18.053 4.847 1.00 10.55 ? 882 HOH A O 1 HETATM 7373 O O . HOH M 6 . ? 25.371 6.967 -21.929 1.00 26.51 ? 883 HOH A O 1 HETATM 7374 O O . HOH M 6 . ? 18.066 -10.553 -5.306 1.00 11.96 ? 884 HOH A O 1 HETATM 7375 O O . HOH M 6 . ? 1.086 1.186 -11.280 1.00 33.39 ? 885 HOH A O 1 HETATM 7376 O O . HOH M 6 . ? 9.039 10.302 -12.424 1.00 12.10 ? 886 HOH A O 1 HETATM 7377 O O . HOH M 6 . ? 22.895 8.622 -11.216 1.00 12.82 ? 887 HOH A O 1 HETATM 7378 O O . HOH M 6 . ? 22.206 20.402 1.912 1.00 40.83 ? 888 HOH A O 1 HETATM 7379 O O . HOH M 6 . ? 23.052 -15.453 -0.385 1.00 16.46 ? 889 HOH A O 1 HETATM 7380 O O . HOH M 6 . ? 27.050 22.226 3.528 1.00 21.84 ? 890 HOH A O 1 HETATM 7381 O O . HOH M 6 . ? 27.487 -19.278 15.230 1.00 20.11 ? 891 HOH A O 1 HETATM 7382 O O . HOH M 6 . ? 45.867 24.392 14.393 1.00 34.96 ? 892 HOH A O 1 HETATM 7383 O O . HOH M 6 . ? 24.291 9.330 -13.500 1.00 11.46 ? 893 HOH A O 1 HETATM 7384 O O . HOH M 6 . ? 38.429 0.840 -10.716 1.00 30.14 ? 894 HOH A O 1 HETATM 7385 O O . HOH M 6 . ? -1.613 -7.674 16.165 1.00 22.65 ? 895 HOH A O 1 HETATM 7386 O O . HOH M 6 . ? 5.158 -2.307 10.534 1.00 28.44 ? 896 HOH A O 1 HETATM 7387 O O . HOH M 6 . ? 11.653 11.991 16.699 1.00 13.84 ? 897 HOH A O 1 HETATM 7388 O O . HOH M 6 . ? 37.285 20.132 -5.316 1.00 15.76 ? 898 HOH A O 1 HETATM 7389 O O . HOH M 6 . ? 23.710 -6.766 -0.665 1.00 8.34 ? 899 HOH A O 1 HETATM 7390 O O . HOH M 6 . ? 41.693 -11.822 -0.505 0.50 18.06 ? 900 HOH A O 1 HETATM 7391 O O . HOH M 6 . ? 41.947 25.684 6.046 1.00 37.48 ? 901 HOH A O 1 HETATM 7392 O O . HOH M 6 . ? 10.315 2.514 25.048 1.00 11.41 ? 902 HOH A O 1 HETATM 7393 O O . HOH M 6 . ? 6.617 -22.438 7.805 1.00 22.00 ? 903 HOH A O 1 HETATM 7394 O O . HOH M 6 . ? 39.717 4.376 -7.898 1.00 22.22 ? 904 HOH A O 1 HETATM 7395 O O . HOH M 6 . ? 34.752 28.356 -6.078 1.00 33.87 ? 905 HOH A O 1 HETATM 7396 O O . HOH M 6 . ? 13.854 -13.959 -22.203 1.00 34.19 ? 906 HOH A O 1 HETATM 7397 O O . HOH M 6 . ? 30.392 16.973 2.305 1.00 11.19 ? 907 HOH A O 1 HETATM 7398 O O . HOH M 6 . ? 18.968 -17.790 7.484 1.00 10.64 ? 908 HOH A O 1 HETATM 7399 O O . HOH M 6 . ? 9.086 -13.436 22.644 1.00 19.68 ? 909 HOH A O 1 HETATM 7400 O O . HOH M 6 . ? 21.466 -6.598 0.759 1.00 8.18 ? 910 HOH A O 1 HETATM 7401 O O . HOH M 6 . ? 39.100 19.355 -9.798 1.00 39.58 ? 911 HOH A O 1 HETATM 7402 O O . HOH M 6 . ? 26.231 -7.981 -18.336 1.00 17.06 ? 912 HOH A O 1 HETATM 7403 O O . HOH M 6 . ? 31.622 3.663 14.889 1.00 21.74 ? 913 HOH A O 1 HETATM 7404 O O . HOH M 6 . ? 31.619 12.734 -10.309 1.00 18.97 ? 914 HOH A O 1 HETATM 7405 O O . HOH M 6 . ? 9.106 4.911 19.153 1.00 11.26 ? 915 HOH A O 1 HETATM 7406 O O . HOH M 6 . ? 25.716 12.703 -7.361 1.00 24.69 ? 916 HOH A O 1 HETATM 7407 O O . HOH M 6 . ? 33.319 21.672 11.136 1.00 25.23 ? 917 HOH A O 1 HETATM 7408 O O . HOH M 6 . ? 24.876 -7.603 24.384 1.00 33.75 ? 918 HOH A O 1 HETATM 7409 O O . HOH M 6 . ? 17.643 -14.591 -13.332 1.00 20.13 ? 919 HOH A O 1 HETATM 7410 O O . HOH M 6 . ? 25.997 -5.553 -12.818 1.00 9.52 ? 920 HOH A O 1 HETATM 7411 O O . HOH M 6 . ? 28.129 -0.399 22.333 1.00 20.86 ? 921 HOH A O 1 HETATM 7412 O O . HOH M 6 . ? 22.010 2.671 -12.930 1.00 9.75 ? 922 HOH A O 1 HETATM 7413 O O . HOH M 6 . ? 7.304 -19.542 -11.452 1.00 50.04 ? 923 HOH A O 1 HETATM 7414 O O . HOH M 6 . ? 39.449 7.750 17.767 1.00 21.85 ? 924 HOH A O 1 HETATM 7415 O O . HOH M 6 . ? 37.523 -3.052 -5.549 1.00 12.60 ? 925 HOH A O 1 HETATM 7416 O O . HOH M 6 . ? 23.994 -21.377 20.569 1.00 41.31 ? 926 HOH A O 1 HETATM 7417 O O . HOH M 6 . ? 3.681 -16.064 -5.180 1.00 17.56 ? 927 HOH A O 1 HETATM 7418 O O . HOH M 6 . ? 50.192 9.275 12.172 1.00 18.34 ? 928 HOH A O 1 HETATM 7419 O O . HOH M 6 . ? 22.770 6.080 28.760 1.00 29.89 ? 929 HOH A O 1 HETATM 7420 O O . HOH M 6 . ? 14.363 15.626 26.854 1.00 17.23 ? 930 HOH A O 1 HETATM 7421 O O . HOH M 6 . ? 29.130 -17.273 2.468 1.00 27.52 ? 931 HOH A O 1 HETATM 7422 O O . HOH M 6 . ? 11.367 0.964 10.665 1.00 12.53 ? 932 HOH A O 1 HETATM 7423 O O . HOH M 6 . ? 23.213 20.834 23.212 1.00 35.20 ? 933 HOH A O 1 HETATM 7424 O O . HOH M 6 . ? 47.160 19.048 5.272 1.00 34.83 ? 934 HOH A O 1 HETATM 7425 O O . HOH M 6 . ? 45.652 18.040 2.988 1.00 29.16 ? 935 HOH A O 1 HETATM 7426 O O . HOH M 6 . ? 27.056 3.179 -15.934 1.00 11.64 ? 936 HOH A O 1 HETATM 7427 O O . HOH M 6 . ? 39.959 -7.770 4.676 1.00 20.77 ? 937 HOH A O 1 HETATM 7428 O O . HOH M 6 . ? 26.022 26.273 9.997 1.00 18.24 ? 938 HOH A O 1 HETATM 7429 O O . HOH M 6 . ? 25.551 26.026 14.907 1.00 26.01 ? 939 HOH A O 1 HETATM 7430 O O . HOH M 6 . ? 16.786 -9.298 8.412 1.00 7.90 ? 940 HOH A O 1 HETATM 7431 O O . HOH M 6 . ? 6.657 -10.149 30.026 1.00 24.90 ? 941 HOH A O 1 HETATM 7432 O O . HOH M 6 . ? 14.603 -0.349 30.003 1.00 15.50 ? 942 HOH A O 1 HETATM 7433 O O . HOH M 6 . ? 52.155 17.572 9.911 1.00 28.94 ? 943 HOH A O 1 HETATM 7434 O O . HOH M 6 . ? 8.072 -15.898 21.873 1.00 22.18 ? 944 HOH A O 1 HETATM 7435 O O . HOH M 6 . ? 0.369 -0.283 0.354 1.00 11.52 ? 945 HOH A O 1 HETATM 7436 O O . HOH M 6 . ? 28.683 0.107 17.247 0.50 8.68 ? 946 HOH A O 1 HETATM 7437 O O . HOH M 6 . ? 7.050 -10.031 -19.551 1.00 35.13 ? 947 HOH A O 1 HETATM 7438 O O . HOH M 6 . ? 13.977 13.620 -14.254 1.00 17.31 ? 948 HOH A O 1 HETATM 7439 O O . HOH M 6 . ? 0.942 -11.796 26.754 1.00 30.90 ? 949 HOH A O 1 HETATM 7440 O O . HOH M 6 . ? 17.696 -13.085 -2.123 1.00 9.80 ? 950 HOH A O 1 HETATM 7441 O O . HOH M 6 . ? 13.137 -22.202 -1.036 1.00 29.72 ? 951 HOH A O 1 HETATM 7442 O O . HOH M 6 . ? 25.574 -20.108 5.832 1.00 17.08 ? 952 HOH A O 1 HETATM 7443 O O . HOH M 6 . ? 44.088 21.326 13.852 1.00 21.74 ? 953 HOH A O 1 HETATM 7444 O O . HOH M 6 . ? 14.314 21.397 18.553 1.00 36.05 ? 954 HOH A O 1 HETATM 7445 O O . HOH M 6 . ? -2.627 -0.843 3.772 1.00 11.97 ? 955 HOH A O 1 HETATM 7446 O O . HOH M 6 . ? 13.478 -18.213 17.838 1.00 24.37 ? 956 HOH A O 1 HETATM 7447 O O . HOH M 6 . ? -1.964 -1.004 12.106 1.00 22.90 ? 957 HOH A O 1 HETATM 7448 O O . HOH M 6 . ? 17.170 22.024 15.537 1.00 34.44 ? 958 HOH A O 1 HETATM 7449 O O . HOH M 6 . ? 20.291 -11.589 -18.590 1.00 18.67 ? 959 HOH A O 1 HETATM 7450 O O . HOH M 6 . ? 5.038 9.880 9.794 1.00 24.98 ? 960 HOH A O 1 HETATM 7451 O O . HOH M 6 . ? 3.307 -21.589 1.614 1.00 13.69 ? 961 HOH A O 1 HETATM 7452 O O . HOH M 6 . ? 46.027 -5.140 -4.577 1.00 27.80 ? 962 HOH A O 1 HETATM 7453 O O . HOH M 6 . ? 11.291 -16.500 22.731 1.00 25.13 ? 963 HOH A O 1 HETATM 7454 O O . HOH M 6 . ? 30.815 -5.172 -13.115 1.00 15.05 ? 964 HOH A O 1 HETATM 7455 O O . HOH M 6 . ? 16.916 17.771 28.395 1.00 24.66 ? 965 HOH A O 1 HETATM 7456 O O . HOH M 6 . ? 16.795 11.518 1.010 1.00 8.34 ? 966 HOH A O 1 HETATM 7457 O O . HOH M 6 . ? 8.780 -4.817 31.431 1.00 15.32 ? 967 HOH A O 1 HETATM 7458 O O . HOH M 6 . ? 22.896 -6.775 -21.239 1.00 21.86 ? 968 HOH A O 1 HETATM 7459 O O . HOH M 6 . ? 32.848 8.593 18.983 1.00 20.33 ? 969 HOH A O 1 HETATM 7460 O O . HOH M 6 . ? 2.287 -17.046 23.300 1.00 25.02 ? 970 HOH A O 1 HETATM 7461 O O . HOH M 6 . ? 22.276 -10.918 -13.479 1.00 18.20 ? 971 HOH A O 1 HETATM 7462 O O . HOH M 6 . ? 46.126 -5.871 4.922 0.50 13.04 ? 972 HOH A O 1 HETATM 7463 O O . HOH M 6 . ? 35.837 -8.384 5.137 1.00 10.93 ? 973 HOH A O 1 HETATM 7464 O O . HOH M 6 . ? 51.393 10.749 3.164 0.50 13.31 ? 974 HOH A O 1 HETATM 7465 O O . HOH M 6 . ? 39.866 -10.601 4.383 1.00 16.99 ? 975 HOH A O 1 HETATM 7466 O O . HOH M 6 . ? 41.803 24.300 16.207 1.00 23.75 ? 976 HOH A O 1 HETATM 7467 O O . HOH M 6 . ? 21.560 12.217 29.676 1.00 37.61 ? 977 HOH A O 1 HETATM 7468 O O . HOH M 6 . ? 8.252 -14.238 -19.155 1.00 33.46 ? 978 HOH A O 1 HETATM 7469 O O . HOH M 6 . ? 18.250 -11.679 -7.756 1.00 14.48 ? 979 HOH A O 1 HETATM 7470 O O . HOH M 6 . ? 28.844 11.679 -14.132 1.00 21.37 ? 980 HOH A O 1 HETATM 7471 O O . HOH M 6 . ? 15.458 21.753 7.112 1.00 23.42 ? 981 HOH A O 1 HETATM 7472 O O . HOH M 6 . ? 20.589 -13.826 5.813 0.50 9.85 ? 982 HOH A O 1 HETATM 7473 O O . HOH M 6 . ? 29.548 9.773 -17.893 1.00 36.91 ? 983 HOH A O 1 HETATM 7474 O O . HOH M 6 . ? 23.580 27.922 7.424 1.00 36.82 ? 984 HOH A O 1 HETATM 7475 O O . HOH M 6 . ? 34.943 7.577 16.360 1.00 17.20 ? 985 HOH A O 1 HETATM 7476 O O . HOH M 6 . ? 41.845 2.959 -7.285 1.00 31.89 ? 986 HOH A O 1 HETATM 7477 O O . HOH M 6 . ? 39.233 -18.537 3.747 1.00 33.33 ? 987 HOH A O 1 HETATM 7478 O O . HOH M 6 . ? 31.043 14.056 15.830 1.00 9.18 ? 988 HOH A O 1 HETATM 7479 O O . HOH M 6 . ? 4.133 -1.309 28.470 1.00 21.73 ? 989 HOH A O 1 HETATM 7480 O O . HOH M 6 . ? 30.681 -2.452 18.948 1.00 14.69 ? 990 HOH A O 1 HETATM 7481 O O . HOH M 6 . ? 30.555 -7.697 -6.872 1.00 11.70 ? 991 HOH A O 1 HETATM 7482 O O . HOH M 6 . ? 6.506 9.460 -7.273 1.00 18.52 ? 992 HOH A O 1 HETATM 7483 O O . HOH M 6 . ? 9.863 11.844 -5.350 1.00 15.03 ? 993 HOH A O 1 HETATM 7484 O O . HOH M 6 . ? 27.108 -14.491 -3.046 1.00 33.80 ? 994 HOH A O 1 HETATM 7485 O O . HOH M 6 . ? 20.983 1.469 20.228 1.00 8.74 ? 995 HOH A O 1 HETATM 7486 O O . HOH M 6 . ? 16.925 -6.323 4.156 1.00 9.45 ? 996 HOH A O 1 HETATM 7487 O O . HOH M 6 . ? 6.101 8.515 14.699 1.00 21.47 ? 997 HOH A O 1 HETATM 7488 O O . HOH M 6 . ? 27.511 14.505 -3.746 1.00 16.05 ? 998 HOH A O 1 HETATM 7489 O O . HOH M 6 . ? 37.170 -12.362 9.019 1.00 37.11 ? 999 HOH A O 1 HETATM 7490 O O . HOH M 6 . ? 12.403 0.977 -16.425 1.00 11.23 ? 1000 HOH A O 1 HETATM 7491 O O . HOH M 6 . ? 27.587 -11.274 -1.851 0.50 19.35 ? 1001 HOH A O 1 HETATM 7492 O O . HOH M 6 . ? 29.974 24.652 19.408 1.00 21.85 ? 1002 HOH A O 1 HETATM 7493 O O . HOH M 6 . ? 13.918 9.949 -16.542 1.00 15.64 ? 1003 HOH A O 1 HETATM 7494 O O . HOH M 6 . ? 10.250 10.125 -17.296 1.00 25.33 ? 1004 HOH A O 1 HETATM 7495 O O . HOH M 6 . ? 46.020 25.878 17.522 1.00 36.70 ? 1005 HOH A O 1 HETATM 7496 O O . HOH M 6 . ? 13.514 10.163 17.820 1.00 11.48 ? 1006 HOH A O 1 HETATM 7497 O O . HOH M 6 . ? 20.058 14.902 -15.228 0.50 22.52 ? 1007 HOH A O 1 HETATM 7498 O O . HOH M 6 . ? 23.599 8.702 -20.748 1.00 20.02 ? 1008 HOH A O 1 HETATM 7499 O O . HOH M 6 . ? 22.500 16.144 1.836 1.00 10.15 ? 1009 HOH A O 1 HETATM 7500 O O . HOH M 6 . ? -4.610 -16.404 6.591 1.00 31.29 ? 1010 HOH A O 1 HETATM 7501 O O . HOH M 6 . ? 1.009 -21.597 2.987 1.00 23.33 ? 1011 HOH A O 1 HETATM 7502 O O . HOH M 6 . ? 25.429 20.653 20.720 1.00 13.15 ? 1012 HOH A O 1 HETATM 7503 O O . HOH M 6 . ? 19.031 -20.496 7.616 1.00 19.25 ? 1013 HOH A O 1 HETATM 7504 O O . HOH M 6 . ? 47.970 -2.908 -1.884 1.00 21.30 ? 1014 HOH A O 1 HETATM 7505 O O . HOH M 6 . ? 23.251 -15.475 23.501 1.00 17.99 ? 1015 HOH A O 1 HETATM 7506 O O . HOH M 6 . ? 33.995 23.392 9.011 1.00 22.02 ? 1016 HOH A O 1 HETATM 7507 O O . HOH M 6 . ? 27.615 11.875 -4.073 1.00 11.79 ? 1017 HOH A O 1 HETATM 7508 O O . HOH M 6 . ? -0.201 -1.444 -3.895 0.50 12.15 ? 1018 HOH A O 1 HETATM 7509 O O . HOH M 6 . ? 29.523 26.382 7.756 1.00 26.88 ? 1019 HOH A O 1 HETATM 7510 O O . HOH M 6 . ? 30.103 -4.282 23.064 1.00 39.99 ? 1020 HOH A O 1 HETATM 7511 O O . HOH M 6 . ? 28.384 5.221 21.004 1.00 35.72 ? 1021 HOH A O 1 HETATM 7512 O O . HOH M 6 . ? 10.681 -24.670 17.842 1.00 28.87 ? 1022 HOH A O 1 HETATM 7513 O O . HOH M 6 . ? 2.897 3.163 23.939 1.00 22.48 ? 1023 HOH A O 1 HETATM 7514 O O . HOH M 6 . ? 30.830 -19.201 8.324 1.00 18.93 ? 1024 HOH A O 1 HETATM 7515 O O . HOH M 6 . ? 32.718 -7.321 4.858 1.00 8.99 ? 1025 HOH A O 1 HETATM 7516 O O . HOH M 6 . ? 25.822 -21.232 9.323 1.00 23.12 ? 1026 HOH A O 1 HETATM 7517 O O . HOH M 6 . ? 10.023 -27.721 4.688 1.00 27.52 ? 1027 HOH A O 1 HETATM 7518 O O . HOH M 6 . ? 13.308 -0.021 32.467 1.00 12.66 ? 1028 HOH A O 1 HETATM 7519 O O . HOH M 6 . ? 20.066 7.226 -23.190 1.00 18.14 ? 1029 HOH A O 1 HETATM 7520 O O . HOH M 6 . ? 13.678 19.915 14.791 1.00 21.36 ? 1030 HOH A O 1 HETATM 7521 O O . HOH M 6 . ? 9.984 -8.558 4.907 1.00 7.46 ? 1031 HOH A O 1 HETATM 7522 O O . HOH M 6 . ? 4.813 -24.114 1.514 1.00 19.70 ? 1032 HOH A O 1 HETATM 7523 O O . HOH M 6 . ? 36.440 15.532 20.278 1.00 19.68 ? 1033 HOH A O 1 HETATM 7524 O O . HOH M 6 . ? -4.299 -2.421 7.473 1.00 15.71 ? 1034 HOH A O 1 HETATM 7525 O O . HOH M 6 . ? 20.373 6.098 -14.658 1.00 10.65 ? 1035 HOH A O 1 HETATM 7526 O O . HOH M 6 . ? 25.065 10.320 25.870 1.00 19.34 ? 1036 HOH A O 1 HETATM 7527 O O . HOH M 6 . ? 8.902 0.080 11.237 1.00 13.06 ? 1037 HOH A O 1 HETATM 7528 O O . HOH M 6 . ? -8.718 -12.229 3.217 1.00 34.96 ? 1038 HOH A O 1 HETATM 7529 O O . HOH M 6 . ? 7.813 16.386 7.951 1.00 20.39 ? 1039 HOH A O 1 HETATM 7530 O O . HOH M 6 . ? 9.106 10.545 27.310 1.00 22.19 ? 1040 HOH A O 1 HETATM 7531 O O . HOH M 6 . ? 3.290 1.760 7.787 1.00 24.86 ? 1041 HOH A O 1 HETATM 7532 O O . HOH M 6 . ? 52.855 11.295 13.868 1.00 29.84 ? 1042 HOH A O 1 HETATM 7533 O O . HOH M 6 . ? 33.106 24.048 12.177 1.00 27.93 ? 1043 HOH A O 1 HETATM 7534 O O . HOH M 6 . ? 33.989 8.888 -11.772 1.00 25.59 ? 1044 HOH A O 1 HETATM 7535 O O . HOH M 6 . ? 16.440 -8.835 30.651 1.00 25.23 ? 1045 HOH A O 1 HETATM 7536 O O . HOH M 6 . ? 22.926 -5.945 25.263 1.00 17.59 ? 1046 HOH A O 1 HETATM 7537 O O . HOH M 6 . ? 30.691 -9.846 -0.466 1.00 11.88 ? 1047 HOH A O 1 HETATM 7538 O O . HOH M 6 . ? 41.035 -10.110 -5.193 1.00 30.55 ? 1048 HOH A O 1 HETATM 7539 O O . HOH M 6 . ? 21.975 27.743 15.880 1.00 41.64 ? 1049 HOH A O 1 HETATM 7540 O O . HOH M 6 . ? 32.683 1.019 -8.958 1.00 10.85 ? 1050 HOH A O 1 HETATM 7541 O O . HOH M 6 . ? 11.539 2.072 13.369 1.00 14.65 ? 1051 HOH A O 1 HETATM 7542 O O . HOH M 6 . ? 5.454 -15.032 0.303 1.00 10.34 ? 1052 HOH A O 1 HETATM 7543 O O . HOH M 6 . ? 42.627 4.236 -2.726 1.00 20.02 ? 1053 HOH A O 1 HETATM 7544 O O . HOH M 6 . ? 23.044 24.329 2.385 1.00 35.62 ? 1054 HOH A O 1 HETATM 7545 O O . HOH M 6 . ? 37.483 17.421 -1.985 1.00 19.85 ? 1055 HOH A O 1 HETATM 7546 O O . HOH M 6 . ? 5.142 -0.913 12.653 1.00 18.02 ? 1056 HOH A O 1 HETATM 7547 O O . HOH M 6 . ? 6.167 -23.371 15.177 1.00 25.55 ? 1057 HOH A O 1 HETATM 7548 O O . HOH M 6 . ? -1.098 -4.128 13.506 1.00 16.35 ? 1058 HOH A O 1 HETATM 7549 O O . HOH M 6 . ? 23.881 -11.734 -10.572 1.00 31.17 ? 1059 HOH A O 1 HETATM 7550 O O . HOH M 6 . ? 6.021 7.295 29.653 1.00 27.46 ? 1060 HOH A O 1 HETATM 7551 O O . HOH M 6 . ? 36.731 24.720 15.491 1.00 23.09 ? 1061 HOH A O 1 HETATM 7552 O O . HOH M 6 . ? 37.962 -7.074 12.000 0.50 24.80 ? 1062 HOH A O 1 HETATM 7553 O O . HOH M 6 . ? 30.331 -14.515 0.795 1.00 22.83 ? 1063 HOH A O 1 HETATM 7554 O O . HOH M 6 . ? 6.972 -15.603 -14.117 1.00 29.81 ? 1064 HOH A O 1 HETATM 7555 O O . HOH M 6 . ? 12.379 13.685 3.946 0.50 19.09 ? 1065 HOH A O 1 HETATM 7556 O O . HOH M 6 . ? 34.408 9.312 -9.217 1.00 16.97 ? 1066 HOH A O 1 HETATM 7557 O O . HOH M 6 . ? 1.907 -23.579 7.108 1.00 34.44 ? 1067 HOH A O 1 HETATM 7558 O O . HOH M 6 . ? -1.068 16.922 -0.099 1.00 20.12 ? 1068 HOH A O 1 HETATM 7559 O O . HOH M 6 . ? 16.723 13.981 -10.444 0.50 16.16 ? 1069 HOH A O 1 HETATM 7560 O O . HOH M 6 . ? 15.168 19.184 2.564 1.00 36.70 ? 1070 HOH A O 1 HETATM 7561 O O . HOH M 6 . ? -1.366 -14.240 -5.614 1.00 30.14 ? 1071 HOH A O 1 HETATM 7562 O O . HOH M 6 . ? 22.452 3.117 28.666 1.00 26.39 ? 1072 HOH A O 1 HETATM 7563 O O . HOH M 6 . ? 42.683 -6.716 4.759 1.00 15.29 ? 1073 HOH A O 1 HETATM 7564 O O . HOH M 6 . ? 6.668 -28.227 0.942 1.00 32.05 ? 1074 HOH A O 1 HETATM 7565 O O . HOH M 6 . ? 16.061 8.178 -13.548 1.00 10.19 ? 1075 HOH A O 1 HETATM 7566 O O . HOH M 6 . ? 30.136 20.116 -5.230 1.00 24.67 ? 1076 HOH A O 1 HETATM 7567 O O . HOH M 6 . ? 33.718 1.923 -11.104 0.50 16.55 ? 1077 HOH A O 1 HETATM 7568 O O . HOH M 6 . ? 5.349 -18.960 -8.067 1.00 31.88 ? 1078 HOH A O 1 HETATM 7569 O O . HOH M 6 . ? 17.750 9.567 2.785 1.00 7.53 ? 1079 HOH A O 1 HETATM 7570 O O . HOH M 6 . ? 36.378 23.616 -5.770 1.00 18.85 ? 1080 HOH A O 1 HETATM 7571 O O . HOH M 6 . ? 29.109 25.242 24.552 1.00 32.28 ? 1081 HOH A O 1 HETATM 7572 O O . HOH M 6 . ? 9.167 18.425 17.157 1.00 32.85 ? 1082 HOH A O 1 HETATM 7573 O O . HOH M 6 . ? 18.203 -17.050 -3.289 1.00 20.93 ? 1083 HOH A O 1 HETATM 7574 O O . HOH M 6 . ? 38.639 -2.101 -9.009 1.00 28.78 ? 1084 HOH A O 1 HETATM 7575 O O . HOH M 6 . ? 13.411 -9.287 28.256 1.00 15.80 ? 1085 HOH A O 1 HETATM 7576 O O . HOH M 6 . ? 2.926 -2.568 -12.752 1.00 24.90 ? 1086 HOH A O 1 HETATM 7577 O O . HOH M 6 . ? 23.701 9.216 -8.691 1.00 13.13 ? 1087 HOH A O 1 HETATM 7578 O O . HOH M 6 . ? 40.436 23.214 19.122 1.00 26.30 ? 1088 HOH A O 1 HETATM 7579 O O . HOH M 6 . ? 27.814 14.387 24.123 1.00 21.70 ? 1089 HOH A O 1 HETATM 7580 O O . HOH M 6 . ? 29.387 -12.018 21.386 1.00 25.44 ? 1090 HOH A O 1 HETATM 7581 O O . HOH M 6 . ? 11.283 -1.232 -23.672 1.00 19.14 ? 1091 HOH A O 1 HETATM 7582 O O . HOH M 6 . ? 15.044 -22.774 6.508 1.00 25.06 ? 1092 HOH A O 1 HETATM 7583 O O . HOH M 6 . ? 32.852 -12.512 -11.345 1.00 24.68 ? 1093 HOH A O 1 HETATM 7584 O O . HOH M 6 . ? 24.215 10.887 -19.305 1.00 19.62 ? 1094 HOH A O 1 HETATM 7585 O O . HOH M 6 . ? 26.064 8.084 14.618 1.00 8.34 ? 1095 HOH A O 1 HETATM 7586 O O . HOH M 6 . ? 19.058 16.718 9.674 1.00 11.39 ? 1096 HOH A O 1 HETATM 7587 O O . HOH M 6 . ? 48.574 18.571 14.665 1.00 29.90 ? 1097 HOH A O 1 HETATM 7588 O O . HOH M 6 . ? 15.819 -21.160 -4.324 1.00 38.31 ? 1098 HOH A O 1 HETATM 7589 O O . HOH M 6 . ? 8.290 -25.915 6.686 1.00 35.76 ? 1099 HOH A O 1 HETATM 7590 O O . HOH M 6 . ? 16.361 10.748 17.688 1.00 10.64 ? 1100 HOH A O 1 HETATM 7591 O O . HOH M 6 . ? 42.205 12.037 20.091 1.00 21.91 ? 1101 HOH A O 1 HETATM 7592 O O . HOH M 6 . ? 42.121 -4.488 11.126 1.00 23.76 ? 1102 HOH A O 1 HETATM 7593 O O . HOH M 6 . ? 38.293 5.829 -9.463 1.00 18.04 ? 1103 HOH A O 1 HETATM 7594 O O . HOH M 6 . ? 41.571 -11.968 0.762 0.50 15.56 ? 1104 HOH A O 1 HETATM 7595 O O . HOH M 6 . ? 29.872 -8.686 -2.844 1.00 13.00 ? 1105 HOH A O 1 HETATM 7596 O O . HOH M 6 . ? 19.655 6.517 31.804 1.00 19.97 ? 1106 HOH A O 1 HETATM 7597 O O . HOH M 6 . ? 8.061 3.727 10.322 1.00 14.29 ? 1107 HOH A O 1 HETATM 7598 O O . HOH M 6 . ? 5.797 -0.498 30.581 1.00 18.56 ? 1108 HOH A O 1 HETATM 7599 O O . HOH M 6 . ? 19.995 -13.730 6.707 0.50 9.34 ? 1109 HOH A O 1 HETATM 7600 O O . HOH M 6 . ? 53.035 14.742 8.145 1.00 31.20 ? 1110 HOH A O 1 HETATM 7601 O O . HOH M 6 . ? 7.569 -1.190 9.750 0.50 15.00 ? 1111 HOH A O 1 HETATM 7602 O O . HOH M 6 . ? 34.781 2.088 -10.685 0.50 13.98 ? 1112 HOH A O 1 HETATM 7603 O O . HOH M 6 . ? 47.734 17.786 21.992 1.00 31.25 ? 1113 HOH A O 1 HETATM 7604 O O . HOH M 6 . ? 46.052 19.862 11.911 1.00 22.40 ? 1114 HOH A O 1 HETATM 7605 O O . HOH M 6 . ? 37.176 24.984 -3.495 1.00 13.62 ? 1115 HOH A O 1 HETATM 7606 O O . HOH M 6 . ? 39.400 18.727 19.212 1.00 20.19 ? 1116 HOH A O 1 HETATM 7607 O O . HOH M 6 . ? 5.392 5.843 -14.824 1.00 20.33 ? 1117 HOH A O 1 HETATM 7608 O O . HOH M 6 . ? -4.504 -9.147 9.526 1.00 16.56 ? 1118 HOH A O 1 HETATM 7609 O O . HOH M 6 . ? 17.922 -13.518 -16.353 1.00 22.16 ? 1119 HOH A O 1 HETATM 7610 O O . HOH M 6 . ? 10.853 19.035 13.654 1.00 32.50 ? 1120 HOH A O 1 HETATM 7611 O O . HOH M 6 . ? 13.217 -17.267 21.069 1.00 20.02 ? 1121 HOH A O 1 HETATM 7612 O O . HOH M 6 . ? 11.532 -19.003 -4.900 0.50 19.80 ? 1122 HOH A O 1 HETATM 7613 O O . HOH M 6 . ? 26.488 0.165 -19.541 1.00 20.43 ? 1123 HOH A O 1 HETATM 7614 O O . HOH M 6 . ? 20.482 25.782 8.853 1.00 29.34 ? 1124 HOH A O 1 HETATM 7615 O O . HOH M 6 . ? 14.098 -1.561 6.739 0.70 15.81 ? 1125 HOH A O 1 HETATM 7616 O O . HOH M 6 . ? 19.590 18.526 28.437 1.00 24.66 ? 1126 HOH A O 1 HETATM 7617 O O . HOH M 6 . ? 20.083 28.572 18.024 1.00 36.23 ? 1127 HOH A O 1 HETATM 7618 O O . HOH M 6 . ? 3.963 0.821 24.306 1.00 19.20 ? 1128 HOH A O 1 HETATM 7619 O O . HOH M 6 . ? 54.059 1.578 12.465 1.00 27.27 ? 1129 HOH A O 1 HETATM 7620 O O . HOH M 6 . ? 5.254 15.640 -8.458 1.00 34.42 ? 1130 HOH A O 1 HETATM 7621 O O . HOH M 6 . ? 40.125 4.420 12.061 1.00 26.08 ? 1131 HOH A O 1 HETATM 7622 O O . HOH M 6 . ? 3.309 14.383 -3.780 1.00 15.64 ? 1132 HOH A O 1 HETATM 7623 O O . HOH M 6 . ? 25.547 5.928 24.077 1.00 17.25 ? 1133 HOH A O 1 HETATM 7624 O O . HOH M 6 . ? 41.290 -13.673 -1.926 0.50 15.32 ? 1134 HOH A O 1 HETATM 7625 O O . HOH M 6 . ? 30.968 -20.175 12.419 1.00 31.90 ? 1135 HOH A O 1 HETATM 7626 O O . HOH M 6 . ? 29.392 -15.879 19.098 1.00 27.90 ? 1136 HOH A O 1 HETATM 7627 O O . HOH M 6 . ? 5.037 -13.569 14.833 1.00 12.43 ? 1137 HOH A O 1 HETATM 7628 O O . HOH M 6 . ? -3.847 -3.660 12.873 1.00 33.30 ? 1138 HOH A O 1 HETATM 7629 O O . HOH M 6 . ? 28.325 -20.059 12.719 1.00 20.27 ? 1139 HOH A O 1 HETATM 7630 O O . HOH M 6 . ? 0.258 16.711 3.635 1.00 31.90 ? 1140 HOH A O 1 HETATM 7631 O O . HOH M 6 . ? 39.204 24.725 0.809 1.00 23.90 ? 1141 HOH A O 1 HETATM 7632 O O . HOH M 6 . ? 28.261 1.446 -17.608 1.00 18.70 ? 1142 HOH A O 1 HETATM 7633 O O . HOH M 6 . ? 11.405 -21.946 19.699 1.00 23.05 ? 1143 HOH A O 1 HETATM 7634 O O . HOH M 6 . ? 23.487 -8.228 -18.101 1.00 17.57 ? 1144 HOH A O 1 HETATM 7635 O O . HOH M 6 . ? 41.990 1.619 -2.908 1.00 16.91 ? 1145 HOH A O 1 HETATM 7636 O O . HOH M 6 . ? 24.736 -9.186 -0.022 1.00 9.52 ? 1146 HOH A O 1 HETATM 7637 O O . HOH M 6 . ? 22.473 -1.066 -21.243 1.00 13.24 ? 1147 HOH A O 1 HETATM 7638 O O . HOH M 6 . ? 21.945 25.043 12.361 1.00 26.99 ? 1148 HOH A O 1 HETATM 7639 O O . HOH M 6 . ? 16.292 -11.293 -24.964 1.00 26.37 ? 1149 HOH A O 1 HETATM 7640 O O . HOH M 6 . ? 27.837 1.900 16.919 0.50 16.49 ? 1150 HOH A O 1 HETATM 7641 O O . HOH M 6 . ? 47.384 13.763 -1.780 1.00 34.60 ? 1151 HOH A O 1 HETATM 7642 O O . HOH M 6 . ? 25.765 -12.285 25.004 1.00 22.47 ? 1152 HOH A O 1 HETATM 7643 O O . HOH M 6 . ? -2.290 3.675 -8.935 1.00 41.23 ? 1153 HOH A O 1 HETATM 7644 O O . HOH M 6 . ? 33.156 -9.871 -5.165 1.00 23.09 ? 1154 HOH A O 1 HETATM 7645 O O . HOH M 6 . ? 18.664 15.698 -1.248 1.00 17.19 ? 1155 HOH A O 1 HETATM 7646 O O . HOH M 6 . ? 7.182 -24.576 10.691 1.00 24.56 ? 1156 HOH A O 1 HETATM 7647 O O . HOH M 6 . ? 12.993 -25.776 3.138 0.50 21.67 ? 1157 HOH A O 1 HETATM 7648 O O . HOH M 6 . ? 15.593 12.811 3.049 1.00 10.34 ? 1158 HOH A O 1 HETATM 7649 O O . HOH M 6 . ? -0.476 -9.826 -6.720 1.00 18.93 ? 1159 HOH A O 1 HETATM 7650 O O . HOH M 6 . ? 19.653 11.949 -18.294 1.00 19.14 ? 1160 HOH A O 1 HETATM 7651 O O . HOH M 6 . ? 35.328 9.756 19.509 1.00 14.33 ? 1161 HOH A O 1 HETATM 7652 O O . HOH M 6 . ? 43.438 14.382 -1.464 1.00 35.74 ? 1162 HOH A O 1 HETATM 7653 O O . HOH M 6 . ? -2.785 18.612 2.592 1.00 32.05 ? 1163 HOH A O 1 HETATM 7654 O O . HOH M 6 . ? 2.197 12.349 -5.339 1.00 14.68 ? 1164 HOH A O 1 HETATM 7655 O O . HOH M 6 . ? 14.807 -22.429 2.729 0.50 18.60 ? 1165 HOH A O 1 HETATM 7656 O O . HOH M 6 . ? 24.681 2.097 -13.809 1.00 9.77 ? 1166 HOH A O 1 HETATM 7657 O O . HOH M 6 . ? 44.083 -2.022 -7.399 1.00 27.28 ? 1167 HOH A O 1 HETATM 7658 O O . HOH M 6 . ? -5.407 -6.548 9.318 1.00 14.89 ? 1168 HOH A O 1 HETATM 7659 O O . HOH M 6 . ? 39.040 5.590 15.041 1.00 22.84 ? 1169 HOH A O 1 HETATM 7660 O O . HOH M 6 . ? 39.472 -3.496 -7.172 1.00 23.71 ? 1170 HOH A O 1 HETATM 7661 O O . HOH M 6 . ? 23.032 -11.163 -16.572 0.50 18.24 ? 1171 HOH A O 1 HETATM 7662 O O . HOH M 6 . ? 27.391 3.149 -24.514 1.00 41.56 ? 1172 HOH A O 1 HETATM 7663 O O . HOH M 6 . ? 34.414 24.676 4.869 1.00 20.72 ? 1173 HOH A O 1 HETATM 7664 O O . HOH M 6 . ? -3.193 -7.471 -0.616 1.00 12.89 ? 1174 HOH A O 1 HETATM 7665 O O . HOH M 6 . ? 13.777 7.612 -17.955 1.00 15.04 ? 1175 HOH A O 1 HETATM 7666 O O . HOH M 6 . ? 43.337 10.735 0.658 1.00 18.15 ? 1176 HOH A O 1 HETATM 7667 O O . HOH M 6 . ? 45.858 -6.278 7.360 1.00 37.37 ? 1177 HOH A O 1 HETATM 7668 O O . HOH M 6 . ? 5.716 11.400 6.524 1.00 37.59 ? 1178 HOH A O 1 HETATM 7669 O O . HOH M 6 . ? 35.130 17.791 20.678 1.00 16.65 ? 1179 HOH A O 1 HETATM 7670 O O . HOH M 6 . ? 37.117 -4.604 16.273 1.00 25.98 ? 1180 HOH A O 1 HETATM 7671 O O . HOH M 6 . ? 19.619 14.825 -3.779 0.50 21.53 ? 1181 HOH A O 1 HETATM 7672 O O . HOH M 6 . ? 18.053 -14.272 -6.544 1.00 19.42 ? 1182 HOH A O 1 HETATM 7673 O O . HOH M 6 . ? 3.873 7.259 15.366 1.00 36.18 ? 1183 HOH A O 1 HETATM 7674 O O . HOH M 6 . ? 2.287 12.857 17.993 1.00 38.04 ? 1184 HOH A O 1 HETATM 7675 O O . HOH M 6 . ? 46.137 -8.391 1.780 1.00 33.93 ? 1185 HOH A O 1 HETATM 7676 O O . HOH M 6 . ? 10.277 14.172 7.487 1.00 39.77 ? 1186 HOH A O 1 HETATM 7677 O O . HOH M 6 . ? -7.028 -21.657 2.477 1.00 36.75 ? 1187 HOH A O 1 HETATM 7678 O O . HOH M 6 . ? 33.624 18.863 -10.321 1.00 39.30 ? 1188 HOH A O 1 HETATM 7679 O O . HOH M 6 . ? 28.472 26.535 20.268 1.00 36.69 ? 1189 HOH A O 1 HETATM 7680 O O . HOH M 6 . ? 20.080 -15.903 3.146 1.00 10.34 ? 1190 HOH A O 1 HETATM 7681 O O . HOH M 6 . ? 25.262 -9.775 -4.446 1.00 28.49 ? 1191 HOH A O 1 HETATM 7682 O O . HOH M 6 . ? 23.181 27.934 18.119 1.00 35.27 ? 1192 HOH A O 1 HETATM 7683 O O . HOH M 6 . ? 20.890 -22.709 14.718 1.00 37.18 ? 1193 HOH A O 1 HETATM 7684 O O . HOH M 6 . ? 32.237 -11.041 16.112 1.00 34.40 ? 1194 HOH A O 1 HETATM 7685 O O . HOH M 6 . ? 23.773 13.147 -11.354 1.00 28.44 ? 1195 HOH A O 1 HETATM 7686 O O . HOH M 6 . ? 28.451 19.966 -0.999 1.00 23.39 ? 1196 HOH A O 1 HETATM 7687 O O . HOH M 6 . ? 39.798 -6.093 -5.513 1.00 34.42 ? 1197 HOH A O 1 HETATM 7688 O O . HOH M 6 . ? 41.702 23.041 4.145 1.00 25.77 ? 1198 HOH A O 1 HETATM 7689 O O . HOH M 6 . ? 31.896 -4.022 -15.345 1.00 22.91 ? 1199 HOH A O 1 HETATM 7690 O O . HOH M 6 . ? 5.779 -24.271 -6.489 1.00 17.50 ? 1200 HOH A O 1 HETATM 7691 O O . HOH M 6 . ? 2.470 6.050 20.420 1.00 35.86 ? 1201 HOH A O 1 HETATM 7692 O O . HOH M 6 . ? 24.252 -13.707 -2.284 1.00 33.31 ? 1202 HOH A O 1 HETATM 7693 O O . HOH M 6 . ? 36.620 -6.910 13.652 0.50 26.84 ? 1203 HOH A O 1 HETATM 7694 O O . HOH M 6 . ? 39.024 16.199 20.048 1.00 19.73 ? 1204 HOH A O 1 HETATM 7695 O O . HOH M 6 . ? 13.211 -11.617 29.495 1.00 27.31 ? 1205 HOH A O 1 HETATM 7696 O O . HOH M 6 . ? 3.474 11.361 -7.317 1.00 36.92 ? 1206 HOH A O 1 HETATM 7697 O O . HOH M 6 . ? 50.651 -0.703 5.484 1.00 21.89 ? 1207 HOH A O 1 HETATM 7698 O O . HOH M 6 . ? -4.966 -2.632 10.228 1.00 36.52 ? 1208 HOH A O 1 HETATM 7699 O O . HOH M 6 . ? 19.071 -7.438 -18.863 1.00 22.01 ? 1209 HOH A O 1 HETATM 7700 O O . HOH M 6 . ? 16.757 17.335 -0.492 1.00 27.70 ? 1210 HOH A O 1 HETATM 7701 O O . HOH M 6 . ? 16.578 -14.672 -4.231 1.00 13.35 ? 1211 HOH A O 1 HETATM 7702 O O . HOH M 6 . ? 13.169 14.283 -4.806 0.50 20.53 ? 1212 HOH A O 1 HETATM 7703 O O . HOH M 6 . ? 30.950 0.834 -17.675 1.00 22.95 ? 1213 HOH A O 1 HETATM 7704 O O . HOH M 6 . ? 28.446 -6.577 -13.231 1.00 12.71 ? 1214 HOH A O 1 HETATM 7705 O O . HOH M 6 . ? 37.934 -10.224 7.338 1.00 31.20 ? 1215 HOH A O 1 HETATM 7706 O O . HOH M 6 . ? 28.997 5.275 -16.278 1.00 17.95 ? 1216 HOH A O 1 HETATM 7707 O O . HOH M 6 . ? 2.818 -0.213 26.584 1.00 35.02 ? 1217 HOH A O 1 HETATM 7708 O O . HOH M 6 . ? 36.442 5.233 15.550 1.00 26.52 ? 1218 HOH A O 1 HETATM 7709 O O . HOH M 6 . ? -3.672 7.733 -4.247 1.00 35.31 ? 1219 HOH A O 1 HETATM 7710 O O . HOH M 6 . ? 2.588 1.866 12.369 1.00 39.58 ? 1220 HOH A O 1 HETATM 7711 O O . HOH M 6 . ? 25.256 9.568 -4.588 1.00 25.54 ? 1221 HOH A O 1 HETATM 7712 O O . HOH M 6 . ? -3.448 7.448 0.545 1.00 27.20 ? 1222 HOH A O 1 HETATM 7713 O O . HOH M 6 . ? 49.989 6.308 -0.841 1.00 32.61 ? 1223 HOH A O 1 HETATM 7714 O O . HOH M 6 . ? 12.281 18.157 23.492 1.00 34.71 ? 1224 HOH A O 1 HETATM 7715 O O . HOH M 6 . ? -3.199 -23.148 1.153 1.00 33.56 ? 1225 HOH A O 1 HETATM 7716 O O . HOH M 6 . ? 17.781 14.980 -15.082 0.50 15.51 ? 1226 HOH A O 1 HETATM 7717 O O . HOH M 6 . ? 26.578 -13.103 -14.769 1.00 39.74 ? 1227 HOH A O 1 HETATM 7718 O O . HOH M 6 . ? -6.127 -7.409 -2.305 1.00 30.71 ? 1228 HOH A O 1 HETATM 7719 O O . HOH M 6 . ? 19.405 -11.266 -3.281 1.00 14.10 ? 1229 HOH A O 1 HETATM 7720 O O . HOH M 6 . ? 42.501 -5.387 7.200 1.00 23.28 ? 1230 HOH A O 1 HETATM 7721 O O . HOH M 6 . ? 28.376 -0.672 -21.106 1.00 35.26 ? 1231 HOH A O 1 HETATM 7722 O O . HOH M 6 . ? 36.976 16.980 0.805 1.00 14.55 ? 1232 HOH A O 1 HETATM 7723 O O . HOH M 6 . ? 25.032 15.602 -4.426 1.00 35.33 ? 1233 HOH A O 1 HETATM 7724 O O . HOH M 6 . ? 29.702 -12.404 -0.749 1.00 25.37 ? 1234 HOH A O 1 HETATM 7725 O O . HOH M 6 . ? 40.561 -7.023 8.990 1.00 41.73 ? 1235 HOH A O 1 HETATM 7726 O O . HOH M 6 . ? 5.080 -26.150 -0.114 0.50 13.99 ? 1236 HOH A O 1 HETATM 7727 O O . HOH M 6 . ? 3.942 5.121 -12.155 1.00 27.83 ? 1237 HOH A O 1 HETATM 7728 O O . HOH M 6 . ? 12.682 0.514 8.312 0.50 8.42 ? 1238 HOH A O 1 HETATM 7729 O O . HOH M 6 . ? 17.686 23.054 11.466 1.00 38.23 ? 1239 HOH A O 1 HETATM 7730 O O . HOH M 6 . ? 3.800 15.908 -6.245 1.00 35.47 ? 1240 HOH A O 1 HETATM 7731 O O . HOH M 6 . ? 3.742 7.431 -10.995 1.00 36.85 ? 1241 HOH A O 1 HETATM 7732 O O . HOH M 6 . ? 42.385 -11.626 3.856 1.00 30.70 ? 1242 HOH A O 1 HETATM 7733 O O . HOH M 6 . ? 20.928 -8.802 -20.249 1.00 25.86 ? 1243 HOH A O 1 HETATM 7734 O O . HOH M 6 . ? 26.056 -21.319 16.289 1.00 37.88 ? 1244 HOH A O 1 HETATM 7735 O O . HOH M 6 . ? 48.486 2.232 -1.369 1.00 33.11 ? 1245 HOH A O 1 HETATM 7736 O O . HOH M 6 . ? -6.952 -5.073 -3.522 1.00 28.52 ? 1246 HOH A O 1 HETATM 7737 O O . HOH M 6 . ? 10.244 5.342 -20.685 1.00 33.01 ? 1247 HOH A O 1 HETATM 7738 O O . HOH M 6 . ? 41.652 20.394 3.429 0.50 19.72 ? 1248 HOH A O 1 HETATM 7739 O O . HOH M 6 . ? -2.168 7.054 -6.497 1.00 26.04 ? 1249 HOH A O 1 HETATM 7740 O O . HOH M 6 . ? 37.593 27.321 -4.683 1.00 23.79 ? 1250 HOH A O 1 HETATM 7741 O O . HOH M 6 . ? 5.447 14.879 -10.777 1.00 40.99 ? 1251 HOH A O 1 HETATM 7742 O O . HOH M 6 . ? 13.761 16.586 3.128 1.00 24.81 ? 1252 HOH A O 1 HETATM 7743 O O . HOH M 6 . ? 24.886 -10.879 -2.170 1.00 24.39 ? 1253 HOH A O 1 HETATM 7744 O O . HOH M 6 . ? 17.517 12.740 -16.265 1.00 17.82 ? 1254 HOH A O 1 HETATM 7745 O O . HOH M 6 . ? -1.942 16.967 5.291 1.00 28.95 ? 1255 HOH A O 1 HETATM 7746 O O . HOH M 6 . ? 48.155 -0.512 -3.300 1.00 33.50 ? 1256 HOH A O 1 HETATM 7747 O O . HOH M 6 . ? 2.490 -4.027 -8.252 1.00 25.87 ? 1257 HOH A O 1 HETATM 7748 O O . HOH M 6 . ? 14.466 2.843 -23.123 1.00 17.65 ? 1258 HOH A O 1 HETATM 7749 O O . HOH M 6 . ? 21.811 -2.813 28.072 1.00 22.34 ? 1259 HOH A O 1 HETATM 7750 O O . HOH M 6 . ? 27.557 -9.986 -2.410 0.50 20.72 ? 1260 HOH A O 1 HETATM 7751 O O . HOH M 6 . ? 20.316 -10.621 -22.235 1.00 33.05 ? 1261 HOH A O 1 HETATM 7752 O O . HOH M 6 . ? 32.608 -7.455 -14.156 1.00 36.33 ? 1262 HOH A O 1 HETATM 7753 O O . HOH M 6 . ? 13.297 -20.989 -3.795 1.00 27.74 ? 1263 HOH A O 1 HETATM 7754 O O . HOH M 6 . ? 13.092 -14.223 -24.977 1.00 29.44 ? 1264 HOH A O 1 HETATM 7755 O O . HOH M 6 . ? 25.772 -15.220 24.138 1.00 32.19 ? 1265 HOH A O 1 HETATM 7756 O O . HOH M 6 . ? 40.935 -0.650 -10.199 1.00 40.88 ? 1266 HOH A O 1 HETATM 7757 O O . HOH M 6 . ? 28.744 22.175 -6.048 1.00 35.03 ? 1267 HOH A O 1 HETATM 7758 O O . HOH M 6 . ? 10.381 -22.053 22.230 1.00 34.15 ? 1268 HOH A O 1 HETATM 7759 O O . HOH M 6 . ? 12.015 -24.763 13.158 1.00 42.04 ? 1269 HOH A O 1 HETATM 7760 O O . HOH M 6 . ? 24.816 11.987 -13.480 1.00 21.18 ? 1270 HOH A O 1 HETATM 7761 O O . HOH M 6 . ? 34.116 24.735 14.319 1.00 35.27 ? 1271 HOH A O 1 HETATM 7762 O O . HOH M 6 . ? 22.353 12.173 -17.855 1.00 27.75 ? 1272 HOH A O 1 HETATM 7763 O O . HOH M 6 . ? -2.480 -13.777 14.873 1.00 31.90 ? 1273 HOH A O 1 HETATM 7764 O O . HOH M 6 . ? 40.765 -11.684 7.265 1.00 49.23 ? 1274 HOH A O 1 HETATM 7765 O O . HOH M 6 . ? 45.321 21.598 8.470 1.00 32.65 ? 1275 HOH A O 1 HETATM 7766 O O . HOH M 6 . ? 22.737 17.547 -2.986 1.00 35.18 ? 1276 HOH A O 1 HETATM 7767 O O . HOH M 6 . ? 5.012 -7.029 31.261 1.00 19.90 ? 1277 HOH A O 1 HETATM 7768 O O . HOH M 6 . ? 17.793 -21.851 9.622 0.50 18.09 ? 1278 HOH A O 1 HETATM 7769 O O . HOH M 6 . ? 45.824 10.538 17.933 0.50 23.92 ? 1279 HOH A O 1 HETATM 7770 O O . HOH M 6 . ? 2.071 3.385 -12.821 1.00 40.78 ? 1280 HOH A O 1 HETATM 7771 O O . HOH M 6 . ? 50.271 10.521 -1.517 0.50 22.32 ? 1281 HOH A O 1 HETATM 7772 O O . HOH M 6 . ? 23.800 7.432 -5.114 1.00 17.07 ? 1282 HOH A O 1 HETATM 7773 O O . HOH M 6 . ? 7.026 -23.732 -8.837 1.00 28.66 ? 1283 HOH A O 1 HETATM 7774 O O . HOH M 6 . ? 27.707 16.102 26.263 1.00 30.23 ? 1284 HOH A O 1 HETATM 7775 O O . HOH M 6 . ? 13.825 8.369 -20.566 1.00 35.49 ? 1285 HOH A O 1 HETATM 7776 O O . HOH M 6 . ? 50.295 3.132 1.037 1.00 18.08 ? 1286 HOH A O 1 HETATM 7777 O O . HOH M 6 . ? -3.149 -5.162 -5.467 1.00 31.91 ? 1287 HOH A O 1 HETATM 7778 O O . HOH M 6 . ? 0.059 13.691 -6.362 1.00 35.54 ? 1288 HOH A O 1 HETATM 7779 O O . HOH M 6 . ? 1.517 16.808 -1.196 0.50 20.14 ? 1289 HOH A O 1 HETATM 7780 O O . HOH M 6 . ? 14.318 -19.589 21.436 1.00 31.04 ? 1290 HOH A O 1 HETATM 7781 O O . HOH M 6 . ? 39.846 20.142 21.450 1.00 34.55 ? 1291 HOH A O 1 HETATM 7782 O O . HOH M 6 . ? 21.603 8.125 -6.543 1.00 19.95 ? 1292 HOH A O 1 HETATM 7783 O O . HOH M 6 . ? 55.870 2.909 11.135 1.00 38.15 ? 1293 HOH A O 1 HETATM 7784 O O . HOH M 6 . ? 29.768 1.878 15.291 0.50 18.98 ? 1294 HOH A O 1 HETATM 7785 O O . HOH M 6 . ? 40.809 7.439 -9.690 1.00 40.45 ? 1295 HOH A O 1 HETATM 7786 O O . HOH M 6 . ? 0.434 -18.527 -6.026 1.00 34.22 ? 1296 HOH A O 1 HETATM 7787 O O . HOH M 6 . ? 23.174 -21.475 5.603 1.00 27.79 ? 1297 HOH A O 1 HETATM 7788 O O . HOH M 6 . ? 5.202 -24.596 12.683 1.00 30.75 ? 1298 HOH A O 1 HETATM 7789 O O . HOH M 6 . ? -5.234 -4.975 7.092 1.00 16.39 ? 1299 HOH A O 1 HETATM 7790 O O . HOH M 6 . ? 10.511 14.827 25.238 0.50 13.66 ? 1300 HOH A O 1 HETATM 7791 O O . HOH M 6 . ? 3.560 -26.094 3.528 1.00 36.37 ? 1301 HOH A O 1 HETATM 7792 O O . HOH M 6 . ? 29.312 19.557 2.579 1.00 22.67 ? 1302 HOH A O 1 HETATM 7793 O O . HOH M 6 . ? 30.677 -9.855 -5.320 1.00 18.41 ? 1303 HOH A O 1 HETATM 7794 O O . HOH M 6 . ? 21.200 10.784 -6.262 1.00 14.30 ? 1304 HOH A O 1 HETATM 7795 O O . HOH M 6 . ? 31.389 7.977 21.557 1.00 38.17 ? 1305 HOH A O 1 HETATM 7796 O O . HOH M 6 . ? -4.427 7.589 2.981 1.00 25.67 ? 1306 HOH A O 1 HETATM 7797 O O . HOH M 6 . ? 32.752 4.294 17.256 1.00 38.29 ? 1307 HOH A O 1 HETATM 7798 O O . HOH M 6 . ? 11.297 -4.832 32.416 1.00 21.70 ? 1308 HOH A O 1 HETATM 7799 O O . HOH M 6 . ? 21.007 -19.374 23.410 1.00 40.83 ? 1309 HOH A O 1 HETATM 7800 O O . HOH M 6 . ? 20.773 -20.554 5.005 1.00 24.75 ? 1310 HOH A O 1 HETATM 7801 O O . HOH M 6 . ? 34.392 11.033 -12.897 1.00 33.64 ? 1311 HOH A O 1 HETATM 7802 O O . HOH M 6 . ? 30.027 -6.105 -17.705 1.00 33.68 ? 1312 HOH A O 1 HETATM 7803 O O . HOH M 6 . ? 52.563 7.916 12.547 1.00 32.30 ? 1313 HOH A O 1 HETATM 7804 O O . HOH M 6 . ? 7.024 11.141 -13.913 1.00 27.45 ? 1314 HOH A O 1 HETATM 7805 O O . HOH M 6 . ? 40.720 -8.368 5.731 0.50 19.27 ? 1315 HOH A O 1 HETATM 7806 O O . HOH M 6 . ? 15.459 -23.131 9.362 0.50 26.18 ? 1316 HOH A O 1 HETATM 7807 O O . HOH M 6 . ? 7.888 17.059 22.584 1.00 33.01 ? 1317 HOH A O 1 HETATM 7808 O O . HOH M 6 . ? 0.834 17.101 -3.938 1.00 35.29 ? 1318 HOH A O 1 HETATM 7809 O O . HOH M 6 . ? 33.642 6.569 18.258 1.00 25.41 ? 1319 HOH A O 1 HETATM 7810 O O . HOH M 6 . ? 3.065 -17.788 -7.179 1.00 25.49 ? 1320 HOH A O 1 HETATM 7811 O O . HOH M 6 . ? 2.303 -16.221 -9.389 1.00 31.85 ? 1321 HOH A O 1 HETATM 7812 O O . HOH M 6 . ? 19.894 -15.673 28.920 1.00 40.11 ? 1322 HOH A O 1 HETATM 7813 O O . HOH M 6 . ? 13.583 11.916 -18.610 1.00 33.42 ? 1323 HOH A O 1 HETATM 7814 O O . HOH M 6 . ? 20.617 -16.357 0.477 1.00 12.24 ? 1324 HOH A O 1 HETATM 7815 O O . HOH M 6 . ? -8.033 -6.938 9.945 1.00 29.01 ? 1325 HOH A O 1 HETATM 7816 O O . HOH M 6 . ? 25.192 8.830 28.183 1.00 41.09 ? 1326 HOH A O 1 HETATM 7817 O O . HOH M 6 . ? 19.264 25.075 11.796 1.00 40.33 ? 1327 HOH A O 1 HETATM 7818 O O . HOH M 6 . ? -0.317 -1.011 16.430 1.00 35.86 ? 1328 HOH A O 1 HETATM 7819 O O . HOH M 6 . ? 23.621 -4.606 27.329 1.00 35.70 ? 1329 HOH A O 1 HETATM 7820 O O . HOH M 6 . ? 27.096 13.485 -13.280 1.00 23.51 ? 1330 HOH A O 1 HETATM 7821 O O . HOH M 6 . ? 38.880 19.487 -3.090 0.50 14.40 ? 1331 HOH A O 1 HETATM 7822 O O . HOH M 6 . ? 16.711 -16.905 -13.704 1.00 34.37 ? 1332 HOH A O 1 HETATM 7823 O O . HOH M 6 . ? 20.690 -4.208 30.106 1.00 32.32 ? 1333 HOH A O 1 HETATM 7824 O O . HOH M 6 . ? 21.158 12.689 -8.227 0.50 20.10 ? 1334 HOH A O 1 HETATM 7825 O O . HOH M 6 . ? 35.171 18.206 23.375 1.00 32.07 ? 1335 HOH A O 1 HETATM 7826 O O . HOH M 6 . ? 28.733 18.675 26.421 1.00 32.58 ? 1336 HOH A O 1 HETATM 7827 O O . HOH M 6 . ? 18.846 -15.448 -1.274 1.00 21.13 ? 1337 HOH A O 1 HETATM 7828 O O . HOH M 6 . ? 34.894 -10.943 -6.875 1.00 27.50 ? 1338 HOH A O 1 HETATM 7829 O O . HOH M 6 . ? -5.864 -1.599 -5.273 1.00 33.95 ? 1339 HOH A O 1 HETATM 7830 O O . HOH M 6 . ? 32.160 25.927 19.865 1.00 38.07 ? 1340 HOH A O 1 HETATM 7831 O O . HOH M 6 . ? 26.311 19.436 -3.358 1.00 36.37 ? 1341 HOH A O 1 HETATM 7832 O O . HOH M 6 . ? 24.070 26.658 12.077 1.00 29.04 ? 1342 HOH A O 1 HETATM 7833 O O . HOH M 6 . ? 37.177 5.378 -11.714 1.00 34.72 ? 1343 HOH A O 1 HETATM 7834 O O . HOH M 6 . ? 30.159 -0.294 20.567 0.50 26.12 ? 1344 HOH A O 1 HETATM 7835 O O . HOH M 6 . ? 3.324 -5.450 27.207 1.00 20.12 ? 1345 HOH A O 1 HETATM 7836 O O . HOH M 6 . ? 28.207 5.584 23.869 1.00 37.08 ? 1346 HOH A O 1 HETATM 7837 O O . HOH M 6 . ? 21.878 -2.896 -23.240 1.00 15.24 ? 1347 HOH A O 1 HETATM 7838 O O . HOH M 6 . ? 22.120 18.426 0.513 1.00 26.50 ? 1348 HOH A O 1 HETATM 7839 O O . HOH M 6 . ? 24.851 8.625 23.700 1.00 21.73 ? 1349 HOH A O 1 HETATM 7840 O O . HOH M 6 . ? 30.007 1.466 19.064 0.50 13.84 ? 1350 HOH A O 1 HETATM 7841 O O . HOH M 6 . ? -5.864 -11.520 8.948 1.00 33.68 ? 1351 HOH A O 1 HETATM 7842 O O . HOH M 6 . ? -2.048 -5.020 15.850 1.00 22.12 ? 1352 HOH A O 1 HETATM 7843 O O . HOH M 6 . ? 24.494 21.109 0.616 1.00 32.75 ? 1353 HOH A O 1 HETATM 7844 O O . HOH M 6 . ? 28.834 8.169 22.706 1.00 32.98 ? 1354 HOH A O 1 HETATM 7845 O O . HOH M 6 . ? 22.554 -0.913 29.738 1.00 31.81 ? 1355 HOH A O 1 HETATM 7846 O O . HOH M 6 . ? 27.052 -21.292 3.989 1.00 25.22 ? 1356 HOH A O 1 HETATM 7847 O O . HOH M 6 . ? 39.555 22.047 -5.424 1.00 37.42 ? 1357 HOH A O 1 HETATM 7848 O O . HOH M 6 . ? -1.174 -17.441 16.157 1.00 28.11 ? 1358 HOH A O 1 HETATM 7849 O O . HOH M 6 . ? 25.680 -7.784 -21.038 1.00 30.53 ? 1359 HOH A O 1 HETATM 7850 O O . HOH M 6 . ? 7.304 9.748 30.830 1.00 35.83 ? 1360 HOH A O 1 HETATM 7851 O O . HOH M 6 . ? 23.756 11.846 -9.190 1.00 27.34 ? 1361 HOH A O 1 HETATM 7852 O O . HOH M 6 . ? 14.331 -5.735 33.652 1.00 35.27 ? 1362 HOH A O 1 HETATM 7853 O O . HOH M 6 . ? -7.231 -12.657 6.902 1.00 32.70 ? 1363 HOH A O 1 HETATM 7854 O O . HOH M 6 . ? -4.501 -15.030 9.296 1.00 34.33 ? 1364 HOH A O 1 HETATM 7855 O O . HOH M 6 . ? 21.198 -12.503 -11.619 1.00 22.65 ? 1365 HOH A O 1 HETATM 7856 O O . HOH M 6 . ? 32.308 -14.500 -13.079 1.00 42.50 ? 1366 HOH A O 1 HETATM 7857 O O . HOH M 6 . ? 21.036 2.948 -23.771 1.00 16.63 ? 1367 HOH A O 1 HETATM 7858 O O . HOH M 6 . ? 15.894 -22.222 10.377 0.50 19.74 ? 1368 HOH A O 1 HETATM 7859 O O . HOH M 6 . ? 34.825 6.455 -12.971 1.00 27.13 ? 1369 HOH A O 1 HETATM 7860 O O . HOH M 6 . ? 11.461 17.640 1.859 0.50 19.60 ? 1370 HOH A O 1 HETATM 7861 O O . HOH M 6 . ? -9.529 -6.217 3.630 0.50 13.85 ? 1371 HOH A O 1 HETATM 7862 O O . HOH M 6 . ? 40.953 18.334 -4.189 1.00 36.53 ? 1372 HOH A O 1 HETATM 7863 O O . HOH M 6 . ? 23.668 -10.644 -8.094 1.00 23.62 ? 1373 HOH A O 1 HETATM 7864 O O . HOH M 6 . ? 31.905 -17.911 15.729 1.00 37.09 ? 1374 HOH A O 1 HETATM 7865 O O . HOH M 6 . ? 19.537 18.336 -0.956 1.00 36.23 ? 1375 HOH A O 1 HETATM 7866 O O . HOH M 6 . ? 39.620 4.856 17.492 1.00 39.79 ? 1376 HOH A O 1 HETATM 7867 O O . HOH M 6 . ? 31.114 21.541 2.528 1.00 23.24 ? 1377 HOH A O 1 HETATM 7868 O O . HOH M 6 . ? 3.995 17.693 -4.314 1.00 31.01 ? 1378 HOH A O 1 HETATM 7869 O O . HOH M 6 . ? 39.340 16.182 22.751 1.00 38.68 ? 1379 HOH A O 1 HETATM 7870 O O . HOH M 6 . ? 45.605 -0.444 -3.934 1.00 31.23 ? 1380 HOH A O 1 HETATM 7871 O O . HOH M 6 . ? 2.683 -0.508 13.917 1.00 26.82 ? 1381 HOH A O 1 HETATM 7872 O O . HOH M 6 . ? 17.762 13.866 -5.460 1.00 36.88 ? 1382 HOH A O 1 HETATM 7873 O O . HOH M 6 . ? 0.245 -1.791 13.983 1.00 22.28 ? 1383 HOH A O 1 HETATM 7874 O O . HOH M 6 . ? 15.818 15.326 -15.564 0.50 19.39 ? 1384 HOH A O 1 HETATM 7875 O O . HOH M 6 . ? 27.235 20.569 1.351 1.00 29.78 ? 1385 HOH A O 1 HETATM 7876 O O . HOH M 6 . ? 10.581 1.235 -23.410 1.00 38.67 ? 1386 HOH A O 1 HETATM 7877 O O . HOH M 6 . ? 5.442 10.004 12.400 1.00 32.83 ? 1387 HOH A O 1 HETATM 7878 O O . HOH M 6 . ? 37.767 12.185 22.020 1.00 32.00 ? 1388 HOH A O 1 HETATM 7879 O O . HOH M 6 . ? 23.649 10.201 -23.412 1.00 40.50 ? 1389 HOH A O 1 HETATM 7880 O O . HOH M 6 . ? 23.201 -11.172 -19.979 1.00 33.03 ? 1390 HOH A O 1 HETATM 7881 O O . HOH M 6 . ? 3.014 -3.560 29.523 1.00 23.46 ? 1391 HOH A O 1 HETATM 7882 O O . HOH M 6 . ? 12.888 -24.643 16.185 1.00 34.52 ? 1392 HOH A O 1 HETATM 7883 O O . HOH M 6 . ? 27.252 17.206 -6.802 1.00 36.21 ? 1393 HOH A O 1 HETATM 7884 O O . HOH M 6 . ? 36.520 3.682 17.847 1.00 34.29 ? 1394 HOH A O 1 HETATM 7885 O O . HOH M 6 . ? 39.900 10.565 20.903 1.00 38.61 ? 1395 HOH A O 1 HETATM 7886 O O . HOH M 6 . ? 29.553 -18.751 16.945 1.00 29.20 ? 1396 HOH A O 1 HETATM 7887 O O . HOH M 6 . ? 15.208 -11.229 31.389 1.00 31.53 ? 1397 HOH A O 1 HETATM 7888 O O . HOH M 6 . ? 4.315 -23.380 8.917 1.00 36.95 ? 1398 HOH A O 1 HETATM 7889 O O . HOH M 6 . ? 26.998 15.004 -8.905 1.00 30.19 ? 1399 HOH A O 1 HETATM 7890 O O . HOH M 6 . ? 5.147 -0.458 8.613 1.00 32.76 ? 1400 HOH A O 1 HETATM 7891 O O . HOH M 6 . ? 24.450 -0.445 -23.358 1.00 30.79 ? 1401 HOH A O 1 HETATM 7892 O O . HOH M 6 . ? 33.893 -12.726 -8.849 1.00 32.17 ? 1402 HOH A O 1 HETATM 7893 O O . HOH M 6 . ? 21.480 -18.934 0.050 1.00 23.13 ? 1403 HOH A O 1 HETATM 7894 O O . HOH M 6 . ? 10.707 12.771 26.955 1.00 31.15 ? 1404 HOH A O 1 HETATM 7895 O O . HOH M 6 . ? 28.749 14.773 -10.855 1.00 31.88 ? 1405 HOH A O 1 HETATM 7896 O O . HOH M 6 . ? 23.563 -18.120 24.431 1.00 37.92 ? 1406 HOH A O 1 HETATM 7897 O O . HOH M 6 . ? 4.865 8.430 -13.451 1.00 34.86 ? 1407 HOH A O 1 HETATM 7898 O O . HOH M 6 . ? 45.831 -2.492 -5.538 1.00 33.67 ? 1408 HOH A O 1 HETATM 7899 O O . HOH M 6 . ? 17.833 -9.423 -25.927 1.00 25.65 ? 1409 HOH A O 1 HETATM 7900 O O . HOH M 6 . ? 43.509 12.078 22.516 1.00 36.77 ? 1410 HOH A O 1 HETATM 7901 O O . HOH M 6 . ? 7.666 -26.676 8.997 1.00 30.14 ? 1411 HOH A O 1 HETATM 7902 O O . HOH M 6 . ? 49.348 20.606 5.910 1.00 35.23 ? 1412 HOH A O 1 HETATM 7903 O O . HOH M 6 . ? 4.778 5.338 31.991 1.00 20.80 ? 1413 HOH A O 1 HETATM 7904 O O . HOH M 6 . ? -3.928 -15.536 13.288 1.00 37.01 ? 1414 HOH A O 1 HETATM 7905 O O . HOH M 6 . ? 3.160 -22.915 11.220 1.00 39.31 ? 1415 HOH A O 1 HETATM 7906 O O . HOH M 6 . ? 37.493 -10.091 -7.518 1.00 32.26 ? 1416 HOH A O 1 HETATM 7907 O O . HOH M 6 . ? 33.713 11.753 23.675 1.00 29.89 ? 1417 HOH A O 1 HETATM 7908 O O . HOH M 6 . ? 19.780 27.183 5.730 1.00 37.84 ? 1418 HOH A O 1 HETATM 7909 O O . HOH M 6 . ? 30.319 24.868 2.421 0.50 18.93 ? 1419 HOH A O 1 HETATM 7910 O O . HOH M 6 . ? 20.902 -20.686 1.544 1.00 33.73 ? 1420 HOH A O 1 HETATM 7911 O O . HOH M 6 . ? 16.292 14.208 -17.722 1.00 24.05 ? 1421 HOH A O 1 HETATM 7912 O O . HOH M 6 . ? 28.558 -2.718 -23.081 1.00 38.08 ? 1422 HOH A O 1 HETATM 7913 O O . HOH M 6 . ? 5.559 -23.662 -11.216 1.00 30.57 ? 1423 HOH A O 1 HETATM 7914 O O . HOH M 6 . ? 2.193 2.626 31.201 1.00 36.14 ? 1424 HOH A O 1 HETATM 7915 O O . HOH M 6 . ? 1.276 -6.078 -9.457 1.00 38.70 ? 1425 HOH A O 1 HETATM 7916 O O . HOH M 6 . ? 31.381 11.707 24.744 1.00 32.77 ? 1426 HOH A O 1 HETATM 7917 O O . HOH M 6 . ? 10.058 -28.189 9.555 1.00 39.44 ? 1427 HOH A O 1 HETATM 7918 O O . HOH M 6 . ? 2.102 5.185 31.339 1.00 33.29 ? 1428 HOH A O 1 HETATM 7919 O O . HOH M 6 . ? 29.498 -12.233 -5.894 1.00 37.14 ? 1429 HOH A O 1 HETATM 7920 O O . HOH M 6 . ? 1.884 19.340 1.780 1.00 26.49 ? 1430 HOH A O 1 HETATM 7921 O O . HOH M 6 . ? 0.194 6.494 32.754 1.00 35.18 ? 1431 HOH A 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 . ALA A 1 ? 0.3024 0.5418 0.5982 -0.0965 -0.1487 -0.0931 1 ALA A N 2 C CA . ALA A 1 ? 0.3972 0.4545 0.2727 -0.1707 -0.1488 -0.0233 1 ALA A CA 3 C C . ALA A 1 ? 0.2077 0.2442 0.2581 -0.0389 -0.0497 -0.0133 1 ALA A C 4 O O . ALA A 1 ? 0.2613 0.3155 0.1810 0.0242 -0.0389 -0.0147 1 ALA A O 5 C CB . ALA A 1 ? 0.5452 0.6537 0.3024 0.0351 -0.2015 0.0742 1 ALA A CB 13 N N . GLN A 2 ? 0.1685 0.2385 0.1980 -0.0261 -0.0574 0.0259 2 GLN A N 14 C CA . GLN A 2 ? 0.1372 0.1952 0.1542 -0.0108 -0.0402 0.0348 2 GLN A CA 15 C C . GLN A 2 ? 0.1357 0.2095 0.1534 0.0021 -0.0312 0.0484 2 GLN A C 16 O O . GLN A 2 ? 0.1481 0.2620 0.2286 -0.0300 -0.0594 0.1100 2 GLN A O 17 C CB . GLN A 2 ? 0.1162 0.1849 0.1614 -0.0063 -0.0085 0.0265 2 GLN A CB 18 C CG . GLN A 2 ? 0.1292 0.1817 0.1573 -0.0072 -0.0131 0.0240 2 GLN A CG 19 C CD . GLN A 2 ? 0.1079 0.1730 0.1742 0.0060 -0.0181 0.0129 2 GLN A CD 20 O OE1 . GLN A 2 ? 0.1813 0.1915 0.1807 0.0014 0.0131 0.0000 2 GLN A OE1 21 N NE2 . GLN A 2 ? 0.1178 0.1746 0.1538 0.0068 -0.0087 0.0188 2 GLN A NE2 30 N N . ILE A 3 ? 0.1317 0.1606 0.1292 0.0082 -0.0173 0.0238 3 ILE A N 31 C CA . ILE A 3 ? 0.1587 0.1473 0.1210 0.0068 -0.0245 0.0163 3 ILE A CA 32 C C . ILE A 3 ? 0.1150 0.1520 0.1289 0.0260 -0.0069 0.0171 3 ILE A C 33 O O . ILE A 3 ? 0.1885 0.1516 0.1115 0.0218 -0.0125 0.0105 3 ILE A O 34 C CB . ILE A 3 ? 0.1748 0.1516 0.1220 0.0013 -0.0166 0.0178 3 ILE A CB 35 C CG1 . ILE A 3 ? 0.1491 0.1443 0.1287 0.0110 -0.0011 0.0221 3 ILE A CG1 36 C CG2 . ILE A 3 ? 0.2039 0.2283 0.1370 -0.0214 -0.0153 0.0122 3 ILE A CG2 37 C CD1 . ILE A 3 ? 0.1820 0.1649 0.1571 0.0172 0.0201 0.0141 3 ILE A CD1 49 N N . GLY A 4 ? 0.1476 0.1548 0.1500 0.0041 -0.0433 0.0387 4 GLY A N 50 C CA . GLY A 4 ? 0.1326 0.1456 0.1679 0.0038 -0.0315 0.0215 4 GLY A CA 51 C C . GLY A 4 ? 0.1324 0.1645 0.1621 0.0184 -0.0360 0.0260 4 GLY A C 52 O O . GLY A 4 ? 0.1193 0.1937 0.2125 0.0129 -0.0367 0.0167 4 GLY A O 56 N N . PRO A 5 ? 0.1228 0.1672 0.1584 0.0219 -0.0071 0.0174 5 PRO A N 57 C CA . PRO A 5 ? 0.1140 0.1582 0.1541 0.0167 -0.0140 0.0187 5 PRO A CA 58 C C . PRO A 5 ? 0.1262 0.1202 0.1543 0.0194 -0.0073 0.0191 5 PRO A C 59 O O . PRO A 5 ? 0.1264 0.1472 0.1457 0.0118 -0.0086 0.0164 5 PRO A O 60 C CB . PRO A 5 ? 0.1303 0.1659 0.1672 0.0091 -0.0119 0.0047 5 PRO A CB 61 C CG . PRO A 5 ? 0.1585 0.1873 0.2067 0.0317 -0.0190 -0.0184 5 PRO A CG 62 C CD . PRO A 5 ? 0.1133 0.1993 0.1806 0.0171 -0.0045 0.0108 5 PRO A CD 70 N N . VAL A 6 ? 0.1295 0.1502 0.1543 0.0297 -0.0092 0.0352 6 VAL A N 71 C CA . VAL A 6 ? 0.1459 0.1412 0.1580 0.0086 -0.0177 0.0413 6 VAL A CA 72 C C . VAL A 6 ? 0.1329 0.1754 0.1455 0.0382 -0.0187 0.0461 6 VAL A C 73 O O . VAL A 6 ? 0.1562 0.1985 0.1727 0.0402 -0.0325 0.0250 6 VAL A O 74 C CB . VAL A 6 ? 0.1600 0.1433 0.1988 0.0329 -0.0053 0.0468 6 VAL A CB 75 C CG1 . VAL A 6 ? 0.1806 0.1767 0.2106 0.0289 0.0034 0.0794 6 VAL A CG1 76 C CG2 . VAL A 6 ? 0.1892 0.1500 0.2362 0.0185 -0.0004 0.0437 6 VAL A CG2 86 N N . THR A 7 ? 0.1379 0.1333 0.1476 0.0118 -0.0128 0.0290 7 THR A N 87 C CA . THR A 7 ? 0.1387 0.1495 0.1373 0.0232 -0.0168 0.0233 7 THR A CA 88 C C . THR A 7 ? 0.1315 0.1436 0.1314 0.0054 -0.0175 0.0372 7 THR A C 89 O O . THR A 7 ? 0.1512 0.1524 0.1252 0.0218 -0.0186 0.0207 7 THR A O 90 C CB . THR A 7 ? 0.1253 0.1706 0.1506 0.0042 -0.0035 0.0134 7 THR A CB 91 O OG1 . THR A 7 ? 0.1446 0.1754 0.1720 0.0001 -0.0078 0.0125 7 THR A OG1 92 C CG2 . THR A 7 ? 0.1280 0.1671 0.1756 0.0016 -0.0189 0.0383 7 THR A CG2 99 N N . ASP A 8 ? 0.1377 0.1651 0.1251 0.0165 -0.0136 0.0331 8 ASP A N 100 C CA . ASP A 8 ? 0.1526 0.1626 0.1321 0.0145 -0.0182 0.0303 8 ASP A CA 101 C C . ASP A 8 ? 0.1368 0.1565 0.1416 -0.0052 -0.0192 0.0188 8 ASP A C 102 O O . ASP A 8 ? 0.1318 0.1825 0.1969 0.0085 -0.0149 0.0329 8 ASP A O 103 C CB . ASP A 8 ? 0.1918 0.2170 0.1268 0.0070 -0.0184 0.0436 8 ASP A CB 104 C CG . ASP A 8 ? 0.2230 0.2448 0.1484 0.0472 -0.0101 0.0677 8 ASP A CG 105 O OD1 . ASP A 8 ? 0.2413 0.2108 0.1797 0.0270 0.0005 0.0753 8 ASP A OD1 106 O OD2 . ASP A 8 ? 0.3243 0.3072 0.1547 0.0741 -0.0132 0.0767 8 ASP A OD2 111 N N . LEU A 9 ? 0.1335 0.1420 0.1407 0.0079 -0.0112 0.0283 9 LEU A N 112 C CA . LEU A 9 ? 0.1066 0.1428 0.1459 -0.0074 0.0025 0.0199 9 LEU A CA 113 C C . LEU A 9 ? 0.1414 0.1407 0.1190 0.0027 0.0005 0.0192 9 LEU A C 114 O O . LEU A 9 ? 0.1356 0.1652 0.1391 -0.0191 0.0088 0.0002 9 LEU A O 115 C CB . LEU A 9 ? 0.1241 0.1399 0.1521 -0.0036 0.0124 0.0248 9 LEU A CB 116 C CG . LEU A 9 ? 0.1138 0.1414 0.1556 0.0038 0.0208 0.0313 9 LEU A CG 117 C CD1 . LEU A 9 ? 0.1259 0.1659 0.2390 -0.0052 0.0046 0.0468 9 LEU A CD1 118 C CD2 . LEU A 9 ? 0.1398 0.1621 0.1444 0.0106 0.0300 0.0345 9 LEU A CD2 130 N N . HIS A 10 ? 0.1278 0.1538 0.1189 0.0045 -0.0131 0.0120 10 HIS A N 131 C CA . HIS A 10 ? 0.1650 0.1586 0.0966 0.0093 -0.0046 0.0208 10 HIS A CA 132 C C . HIS A 10 ? 0.1318 0.1478 0.0836 -0.0102 0.0046 0.0214 10 HIS A C 133 O O . HIS A 10 ? 0.1243 0.1491 0.1203 -0.0084 0.0029 0.0295 10 HIS A O 134 C CB . HIS A 10 ? 0.2234 0.1965 0.0958 0.0363 -0.0109 0.0141 10 HIS A CB 135 C CG . HIS A 10 ? 0.3524 0.3060 0.1221 0.0672 -0.0120 0.0786 10 HIS A CG 136 N ND1 . HIS A 10 ? 0.3010 0.2779 0.1652 0.0404 -0.0217 0.0269 10 HIS A ND1 137 C CD2 . HIS A 10 ? 0.4607 0.2729 0.1852 0.1097 -0.0461 0.0445 10 HIS A CD2 138 C CE1 . HIS A 10 ? 0.3806 0.3321 0.2192 0.1160 -0.0632 0.0296 10 HIS A CE1 139 N NE2 . HIS A 10 ? 0.3764 0.2676 0.1905 0.1172 -0.0419 0.0754 10 HIS A NE2 148 N N . ILE A 11 ? 0.1340 0.1423 0.0853 -0.0141 0.0131 0.0086 11 ILE A N 149 C CA . ILE A 11 ? 0.1168 0.1499 0.0851 -0.0061 0.0138 0.0160 11 ILE A CA 150 C C . ILE A 11 ? 0.1478 0.1505 0.0757 -0.0131 0.0114 0.0217 11 ILE A C 151 O O . ILE A 11 ? 0.1551 0.1556 0.1031 -0.0306 0.0349 0.0040 11 ILE A O 152 C CB . ILE A 11 ? 0.1315 0.1494 0.0929 -0.0124 0.0194 0.0138 11 ILE A CB 153 C CG1 . ILE A 11 ? 0.1495 0.1414 0.0842 -0.0174 0.0028 0.0058 11 ILE A CG1 154 C CG2 . ILE A 11 ? 0.1332 0.1388 0.1090 -0.0006 0.0052 0.0060 11 ILE A CG2 155 C CD1 . ILE A 11 ? 0.1281 0.1500 0.0960 0.0024 0.0060 0.0081 11 ILE A CD1 167 N N . THR A 12 ? 0.1341 0.1517 0.0830 -0.0254 0.0159 0.0083 12 THR A N 168 C CA . THR A 12 ? 0.1380 0.1568 0.0800 -0.0084 0.0136 0.0116 12 THR A CA 169 C C . THR A 12 ? 0.1300 0.1540 0.0747 -0.0131 0.0151 0.0061 12 THR A C 170 O O . THR A 12 ? 0.1668 0.1477 0.0780 -0.0132 0.0410 0.0047 12 THR A O 171 C CB . THR A 12 ? 0.1532 0.1791 0.1014 -0.0043 -0.0153 -0.0042 12 THR A CB 172 O OG1 . THR A 12 ? 0.1358 0.1945 0.1620 -0.0144 -0.0138 0.0015 12 THR A OG1 173 C CG2 . THR A 12 ? 0.1943 0.1869 0.1173 0.0026 -0.0112 0.0217 12 THR A CG2 180 N N . ASN A 13 ? 0.1502 0.1536 0.0720 -0.0196 0.0224 0.0079 13 ASN A N 181 C CA . ASN A 13 ? 0.1369 0.1505 0.0756 -0.0098 0.0242 0.0091 13 ASN A CA 182 C C . ASN A 13 ? 0.1573 0.1450 0.0837 -0.0116 0.0132 0.0038 13 ASN A C 183 O O . ASN A 13 ? 0.1926 0.1758 0.0789 -0.0262 -0.0013 0.0189 13 ASN A O 184 C CB . ASN A 13 ? 0.1369 0.1647 0.0847 -0.0087 0.0209 0.0005 13 ASN A CB 185 C CG . ASN A 13 ? 0.1193 0.1506 0.0937 -0.0015 0.0247 0.0002 13 ASN A CG 186 O OD1 . ASN A 13 ? 0.1287 0.1646 0.1140 -0.0055 0.0354 0.0206 13 ASN A OD1 187 N ND2 . ASN A 13 ? 0.1546 0.1501 0.0871 -0.0243 0.0178 0.0060 13 ASN A ND2 194 N N . ALA A 14 ? 0.1386 0.1512 0.0780 -0.0117 0.0106 0.0042 14 ALA A N 195 C CA . ALA A 14 ? 0.1448 0.1617 0.0911 -0.0238 0.0200 0.0052 14 ALA A CA 196 C C . ALA A 14 ? 0.1512 0.1593 0.0760 -0.0136 0.0107 -0.0050 14 ALA A C 197 O O . ALA A 14 ? 0.1685 0.1596 0.0902 -0.0293 -0.0119 0.0084 14 ALA A O 198 C CB . ALA A 14 ? 0.1419 0.1808 0.1769 -0.0235 0.0048 -0.0021 14 ALA A CB 204 N N . ASN A 15 ? 0.1599 0.1656 0.0807 -0.0282 0.0167 -0.0019 15 ASN A N 205 C CA . ASN A 15 ? 0.1527 0.1574 0.1143 -0.0237 0.0116 -0.0067 15 ASN A CA 206 C C . ASN A 15 ? 0.1449 0.1729 0.1219 -0.0308 0.0129 0.0003 15 ASN A C 207 O O . ASN A 15 ? 0.1627 0.1964 0.1398 -0.0219 0.0130 0.0224 15 ASN A O 208 C CB . ASN A 15 ? 0.1824 0.1632 0.1367 -0.0350 0.0285 -0.0218 15 ASN A CB 209 C CG . ASN A 15 ? 0.1684 0.1997 0.1183 -0.0330 0.0184 -0.0247 15 ASN A CG 210 O OD1 . ASN A 15 ? 0.1726 0.2089 0.1331 -0.0199 0.0335 0.0050 15 ASN A OD1 211 N ND2 . ASN A 15 ? 0.1873 0.2631 0.1208 -0.0355 0.0098 -0.0127 15 ASN A ND2 218 N N . ILE A 16 ? 0.1433 0.1439 0.1208 -0.0203 0.0209 0.0022 16 ILE A N 219 C CA . ILE A 16 ? 0.1393 0.1506 0.1229 -0.0194 0.0238 -0.0086 16 ILE A CA 220 C C . ILE A 16 ? 0.1499 0.1444 0.1079 -0.0271 0.0172 -0.0179 16 ILE A C 221 O O . ILE A 16 ? 0.1475 0.1572 0.1485 -0.0311 0.0301 -0.0061 16 ILE A O 222 C CB . ILE A 16 ? 0.1632 0.1564 0.1470 -0.0139 0.0243 -0.0192 16 ILE A CB 223 C CG1 . ILE A 16 ? 0.1648 0.1652 0.1434 -0.0405 0.0261 -0.0388 16 ILE A CG1 224 C CG2 . ILE A 16 ? 0.1973 0.1922 0.1914 0.0075 0.0420 -0.0023 16 ILE A CG2 225 C CD1 . ILE A 16 ? 0.2003 0.1898 0.1732 -0.0176 0.0248 -0.0515 16 ILE A CD1 237 N N . SER A 17 ? 0.1493 0.1565 0.1155 -0.0424 0.0216 -0.0192 17 SER A N 238 C CA . SER A 17 ? 0.1670 0.1508 0.1109 -0.0424 0.0142 -0.0212 17 SER A CA 239 C C . SER A 17 ? 0.1514 0.1577 0.1241 -0.0391 0.0170 -0.0037 17 SER A C 240 O O . SER A 17 ? 0.1751 0.2201 0.1432 -0.0770 0.0178 -0.0160 17 SER A O 247 N N . PRO A 18 ? 0.1389 0.1551 0.1070 -0.0341 0.0256 -0.0123 18 PRO A N 248 C CA . PRO A 18 ? 0.1457 0.1657 0.1218 -0.0225 0.0333 0.0038 18 PRO A CA 249 C C . PRO A 18 ? 0.1175 0.1646 0.1340 -0.0365 0.0261 -0.0107 18 PRO A C 250 O O . PRO A 18 ? 0.1450 0.1613 0.1487 -0.0251 0.0420 -0.0215 18 PRO A O 251 C CB . PRO A 18 ? 0.1527 0.1718 0.1405 -0.0296 0.0437 -0.0236 18 PRO A CB 252 C CG . PRO A 18 ? 0.1441 0.2173 0.1139 -0.0345 0.0125 -0.0285 18 PRO A CG 253 C CD . PRO A 18 ? 0.1298 0.1574 0.1110 -0.0268 0.0184 -0.0156 18 PRO A CD 261 N N . ASP A 19 ? 0.1467 0.1446 0.1396 -0.0194 0.0510 -0.0097 19 ASP A N 262 C CA . ASP A 19 ? 0.1489 0.1489 0.1451 -0.0275 0.0494 -0.0066 19 ASP A CA 263 C C . ASP A 19 ? 0.1248 0.1603 0.1693 -0.0472 0.0369 -0.0294 19 ASP A C 264 O O . ASP A 19 ? 0.1656 0.1603 0.2005 -0.0313 0.0468 -0.0257 19 ASP A O 265 C CB . ASP A 19 ? 0.1560 0.1674 0.1419 -0.0106 0.0455 -0.0207 19 ASP A CB 266 C CG . ASP A 19 ? 0.1509 0.1773 0.1419 -0.0198 0.0329 -0.0143 19 ASP A CG 267 O OD1 . ASP A 19 ? 0.1343 0.1663 0.1430 -0.0225 0.0375 -0.0160 19 ASP A OD1 268 O OD2 . ASP A 19 ? 0.1587 0.2532 0.1548 -0.0110 0.0462 -0.0032 19 ASP A OD2 273 N N . GLY A 20 ? 0.1848 0.1771 0.1464 -0.0602 0.0368 -0.0247 20 GLY A N 274 C CA . GLY A 20 ? 0.2156 0.1941 0.1584 -0.0475 0.0063 -0.0398 20 GLY A CA 275 C C . GLY A 20 ? 0.2170 0.2017 0.1367 -0.0272 0.0150 -0.0608 20 GLY A C 276 O O . GLY A 20 ? 0.2567 0.3090 0.1801 -0.0393 0.0051 -0.1214 20 GLY A O 280 N N . PHE A 21 ? 0.2064 0.1763 0.1399 -0.0461 0.0413 -0.0514 21 PHE A N 281 C CA . PHE A 21 ? 0.2057 0.1703 0.1281 -0.0308 0.0370 -0.0393 21 PHE A CA 282 C C . PHE A 21 ? 0.2153 0.1667 0.1081 -0.0207 0.0246 -0.0440 21 PHE A C 283 O O . PHE A 21 ? 0.2255 0.1564 0.1083 -0.0109 0.0220 -0.0316 21 PHE A O 284 C CB . PHE A 21 ? 0.1801 0.1595 0.1587 -0.0119 0.0419 -0.0237 21 PHE A CB 285 C CG . PHE A 21 ? 0.1960 0.1762 0.1496 0.0207 0.0196 -0.0177 21 PHE A CG 286 C CD1 . PHE A 21 ? 0.2024 0.2048 0.1442 -0.0123 0.0367 -0.0165 21 PHE A CD1 287 C CD2 . PHE A 21 ? 0.2309 0.2028 0.3178 0.0128 0.0590 -0.0860 21 PHE A CD2 288 C CE1 . PHE A 21 ? 0.1904 0.2688 0.1477 0.0121 0.0211 0.0100 21 PHE A CE1 289 C CE2 . PHE A 21 ? 0.2387 0.2914 0.3607 0.0422 0.0421 -0.1103 21 PHE A CE2 290 C CZ . PHE A 21 ? 0.2373 0.3500 0.2633 0.0102 0.0980 -0.0811 21 PHE A CZ 300 N N . SER A 22 ? 0.1968 0.1561 0.1125 -0.0392 0.0229 -0.0344 22 SER A N 301 C CA . SER A 22 ? 0.1625 0.1720 0.1090 -0.0311 0.0163 -0.0222 22 SER A CA 302 C C . SER A 22 ? 0.1423 0.1707 0.1103 -0.0192 0.0107 -0.0274 22 SER A C 303 O O . SER A 22 ? 0.1708 0.1591 0.1459 -0.0211 0.0345 -0.0353 22 SER A O 304 C CB . SER A 22 ? 0.2245 0.2093 0.1148 -0.0532 0.0034 -0.0263 22 SER A CB 305 O OG . SER A 22 ? 0.2373 0.2372 0.1237 -0.0553 -0.0010 -0.0031 22 SER A OG 310 N N . ARG A 23 ? 0.1542 0.1538 0.0970 -0.0201 0.0154 -0.0132 23 ARG A N 311 C CA . ARG A 23 ? 0.1419 0.1576 0.1123 -0.0145 0.0269 -0.0246 23 ARG A CA 312 C C . ARG A 23 ? 0.1474 0.1514 0.0848 0.0000 0.0186 -0.0068 23 ARG A C 313 O O . ARG A 23 ? 0.1442 0.1566 0.1057 -0.0148 0.0233 -0.0173 23 ARG A O 314 C CB . ARG A 23 ? 0.1716 0.1540 0.1020 -0.0136 0.0150 -0.0091 23 ARG A CB 315 C CG . ARG A 23 ? 0.1621 0.1724 0.1041 -0.0349 0.0294 -0.0154 23 ARG A CG 316 C CD . ARG A 23 ? 0.1612 0.1508 0.0982 -0.0294 0.0166 -0.0076 23 ARG A CD 317 N NE . ARG A 23 ? 0.1408 0.1469 0.0905 -0.0188 0.0166 -0.0012 23 ARG A NE 318 C CZ . ARG A 23 ? 0.1374 0.1398 0.0934 -0.0040 0.0176 -0.0107 23 ARG A CZ 319 N NH1 . ARG A 23 ? 0.1684 0.1503 0.0949 -0.0276 0.0146 0.0057 23 ARG A NH1 320 N NH2 . ARG A 23 ? 0.1553 0.1421 0.1032 -0.0255 0.0019 0.0029 23 ARG A NH2 334 N N . PRO A 24 ? 0.1448 0.1501 0.0959 -0.0066 0.0274 -0.0064 24 PRO A N 335 C CA . PRO A 24 ? 0.1466 0.1446 0.0958 -0.0073 0.0196 -0.0092 24 PRO A CA 336 C C . PRO A 24 ? 0.1221 0.1568 0.0818 -0.0134 0.0169 -0.0050 24 PRO A C 337 O O . PRO A 24 ? 0.1497 0.1438 0.1007 -0.0109 0.0032 0.0011 24 PRO A O 338 C CB . PRO A 24 ? 0.1757 0.1658 0.1359 -0.0098 0.0578 0.0004 24 PRO A CB 339 C CG . PRO A 24 ? 0.1251 0.2189 0.2909 0.0037 0.0508 0.0640 24 PRO A CG 340 C CD . PRO A 24 ? 0.1404 0.1618 0.1225 0.0061 0.0252 -0.0063 24 PRO A CD 348 N N . ALA A 25 ? 0.1416 0.1409 0.0738 -0.0023 0.0077 -0.0034 25 ALA A N 349 C CA . ALA A 25 ? 0.1130 0.1453 0.0770 -0.0090 0.0118 -0.0045 25 ALA A CA 350 C C . ALA A 25 ? 0.1019 0.1460 0.0753 -0.0039 0.0114 0.0099 25 ALA A C 351 O O . ALA A 25 ? 0.1533 0.1472 0.0735 -0.0069 0.0108 0.0060 25 ALA A O 352 C CB . ALA A 25 ? 0.1102 0.1568 0.0991 -0.0156 0.0133 -0.0110 25 ALA A CB 358 N N . VAL A 26 ? 0.1135 0.1372 0.0706 -0.0057 0.0101 0.0056 26 VAL A N 359 C CA . VAL A 26 ? 0.1105 0.1412 0.0764 -0.0066 0.0093 0.0137 26 VAL A CA 360 C C . VAL A 26 ? 0.1095 0.1357 0.0766 -0.0054 0.0107 0.0066 26 VAL A C 361 O O . VAL A 26 ? 0.1074 0.1541 0.0759 -0.0042 0.0189 0.0132 26 VAL A O 362 C CB . VAL A 26 ? 0.1141 0.1385 0.0840 -0.0097 0.0076 0.0004 26 VAL A CB 363 C CG1 . VAL A 26 ? 0.1140 0.1401 0.0898 -0.0079 0.0026 0.0061 26 VAL A CG1 364 C CG2 . VAL A 26 ? 0.1144 0.1559 0.1068 -0.0021 0.0150 -0.0068 26 VAL A CG2 374 N N . LEU A 27 ? 0.1060 0.1459 0.0794 -0.0002 0.0148 0.0132 27 LEU A N 375 C CA . LEU A 27 ? 0.1087 0.1489 0.0823 -0.0029 0.0166 0.0116 27 LEU A CA 376 C C . LEU A 27 ? 0.1096 0.1408 0.0863 -0.0136 0.0115 0.0131 27 LEU A C 377 O O . LEU A 27 ? 0.1413 0.1347 0.0980 -0.0085 0.0300 0.0167 27 LEU A O 378 C CB . LEU A 27 ? 0.0984 0.1510 0.1125 0.0156 0.0116 0.0011 27 LEU A CB 379 C CG . LEU A 27 ? 0.1064 0.1627 0.1442 -0.0042 0.0108 -0.0179 27 LEU A CG 380 C CD1 . LEU A 27 ? 0.1783 0.1730 0.1567 -0.0208 -0.0048 -0.0501 27 LEU A CD1 381 C CD2 . LEU A 27 ? 0.1164 0.1509 0.1587 -0.0127 0.0190 -0.0004 27 LEU A CD2 393 N N . ALA A 28 ? 0.1085 0.1376 0.0876 0.0011 0.0127 0.0089 28 ALA A N 394 C CA . ALA A 28 ? 0.1023 0.1299 0.1147 -0.0069 0.0109 0.0111 28 ALA A CA 395 C C . ALA A 28 ? 0.1126 0.1553 0.0947 -0.0001 0.0058 0.0173 28 ALA A C 396 O O . ALA A 28 ? 0.1047 0.1513 0.1209 -0.0046 0.0024 0.0217 28 ALA A O 397 C CB . ALA A 28 ? 0.1185 0.1444 0.1145 -0.0034 0.0075 0.0102 28 ALA A CB 403 N N . GLY A 29 ? 0.1339 0.1576 0.1142 -0.0135 -0.0019 0.0336 29 GLY A N 404 C CA . GLY A 29 ? 0.1417 0.1658 0.1395 0.0083 -0.0093 0.0508 29 GLY A CA 405 C C . GLY A 29 ? 0.1318 0.1899 0.1457 -0.0067 -0.0144 0.0594 29 GLY A C 406 O O . GLY A 29 ? 0.1378 0.2597 0.1944 -0.0286 -0.0321 0.0899 29 GLY A O 410 N N . GLY A 30 ? 0.1482 0.1802 0.0988 -0.0166 -0.0210 0.0390 30 GLY A N 411 C CA . GLY A 30 ? 0.1758 0.2362 0.0983 -0.0380 -0.0154 0.0272 30 GLY A CA 412 C C . GLY A 30 ? 0.1435 0.2221 0.0915 -0.0285 -0.0203 0.0120 30 GLY A C 413 O O . GLY A 30 ? 0.2230 0.2302 0.0924 -0.0506 -0.0138 0.0091 30 GLY A O 417 N N . THR A 31 ? 0.1208 0.1627 0.0941 -0.0136 -0.0170 0.0144 31 THR A N 418 C CA . THR A 31 ? 0.1138 0.1510 0.1101 -0.0198 -0.0131 0.0097 31 THR A CA 419 C C . THR A 31 ? 0.1050 0.1449 0.0856 -0.0037 0.0040 0.0039 31 THR A C 420 O O . THR A 31 ? 0.1046 0.1543 0.0999 -0.0167 -0.0074 0.0096 31 THR A O 421 C CB . THR A 31 ? 0.1140 0.1780 0.1054 -0.0190 -0.0170 0.0078 31 THR A CB 422 O OG1 . THR A 31 ? 0.1105 0.1799 0.1114 0.0000 -0.0131 0.0071 31 THR A OG1 423 C CG2 . THR A 31 ? 0.1283 0.1991 0.1197 -0.0059 -0.0210 0.0063 31 THR A CG2 430 N N . PHE A 32 ? 0.1180 0.1434 0.0864 -0.0137 -0.0085 -0.0037 32 PHE A N 431 C CA . PHE A 32 ? 0.1081 0.1316 0.0968 -0.0149 -0.0016 -0.0048 32 PHE A CA 432 C C . PHE A 32 ? 0.1087 0.1256 0.1041 -0.0164 -0.0089 -0.0002 32 PHE A C 433 O O . PHE A 32 ? 0.1341 0.1293 0.1141 -0.0239 -0.0027 -0.0153 32 PHE A O 434 C CB . PHE A 32 ? 0.1111 0.1296 0.1126 -0.0218 0.0047 -0.0013 32 PHE A CB 435 C CG . PHE A 32 ? 0.1115 0.1134 0.1197 -0.0072 0.0023 -0.0007 32 PHE A CG 436 C CD1 . PHE A 32 ? 0.1364 0.1312 0.1304 -0.0202 -0.0014 0.0131 32 PHE A CD1 437 C CD2 . PHE A 32 ? 0.0969 0.1313 0.1105 -0.0216 0.0034 0.0110 32 PHE A CD2 438 C CE1 . PHE A 32 ? 0.1552 0.1276 0.1243 -0.0329 0.0105 0.0160 32 PHE A CE1 439 C CE2 . PHE A 32 ? 0.1119 0.1326 0.1178 -0.0129 0.0027 0.0103 32 PHE A CE2 440 C CZ . PHE A 32 ? 0.1315 0.1257 0.1156 -0.0083 0.0002 0.0156 32 PHE A CZ 450 N N . PRO A 33 ? 0.1232 0.1243 0.0905 -0.0281 0.0025 0.0002 33 PRO A N 451 C CA . PRO A 33 ? 0.1049 0.1276 0.0877 -0.0181 -0.0074 0.0019 33 PRO A CA 452 C C . PRO A 33 ? 0.0996 0.1259 0.0758 -0.0169 0.0037 -0.0052 33 PRO A C 453 O O . PRO A 33 ? 0.1131 0.1331 0.0829 -0.0083 -0.0062 -0.0025 33 PRO A O 454 C CB . PRO A 33 ? 0.1629 0.1531 0.0823 -0.0561 0.0050 0.0009 33 PRO A CB 455 C CG A PRO A 33 ? 0.1503 0.1502 0.1012 -0.0656 0.0135 -0.0028 33 PRO A CG 456 C CG B PRO A 33 ? 0.1338 0.1399 0.1214 -0.0348 0.0337 -0.0017 33 PRO A CG 457 C CD . PRO A 33 ? 0.1526 0.1515 0.1112 -0.0563 0.0141 -0.0131 33 PRO A CD 459 N N . GLY A 34 ? 0.0854 0.1183 0.0862 -0.0158 0.0002 0.0019 34 GLY A N 460 C CA . GLY A 34 ? 0.1008 0.1216 0.0903 -0.0139 0.0004 0.0012 34 GLY A CA 461 C C . GLY A 34 ? 0.0980 0.1286 0.0912 -0.0065 -0.0027 -0.0036 34 GLY A C 462 O O . GLY A 34 ? 0.0974 0.1324 0.1016 -0.0086 0.0073 -0.0035 34 GLY A O 466 N N . PRO A 35 ? 0.1066 0.1440 0.0932 -0.0007 -0.0031 0.0069 35 PRO A N 467 C CA . PRO A 35 ? 0.1146 0.1461 0.1050 0.0111 -0.0139 -0.0037 35 PRO A CA 468 C C . PRO A 35 ? 0.0990 0.1310 0.0985 0.0042 -0.0136 0.0033 35 PRO A C 469 O O . PRO A 35 ? 0.0886 0.1362 0.1202 -0.0017 -0.0088 -0.0083 35 PRO A O 470 C CB . PRO A 35 ? 0.1631 0.1808 0.1105 0.0456 -0.0237 0.0060 35 PRO A CB 471 C CG . PRO A 35 ? 0.1703 0.1461 0.1211 0.0266 -0.0078 0.0216 35 PRO A CG 472 C CD . PRO A 35 ? 0.1377 0.1489 0.0991 0.0006 0.0015 0.0041 35 PRO A CD 480 N N . THR A 36 ? 0.0845 0.1397 0.1062 0.0035 -0.0199 0.0027 36 THR A N 481 C CA . THR A 36 ? 0.1003 0.1264 0.1041 0.0085 -0.0099 0.0001 36 THR A CA 482 C C . THR A 36 ? 0.0883 0.1314 0.1089 0.0088 -0.0107 0.0069 36 THR A C 483 O O . THR A 36 ? 0.1021 0.1542 0.1177 0.0054 -0.0258 0.0240 36 THR A O 484 C CB . THR A 36 ? 0.1005 0.1321 0.1233 -0.0033 -0.0032 0.0150 36 THR A CB 485 O OG1 . THR A 36 ? 0.1248 0.1259 0.1386 -0.0107 -0.0044 0.0138 36 THR A OG1 486 C CG2 . THR A 36 ? 0.0993 0.1255 0.1405 -0.0026 -0.0026 0.0176 36 THR A CG2 493 N N . ILE A 37 ? 0.0913 0.1154 0.0988 0.0038 -0.0084 0.0135 37 ILE A N 494 C CA . ILE A 37 ? 0.0865 0.1383 0.1013 0.0065 -0.0041 0.0172 37 ILE A CA 495 C C . ILE A 37 ? 0.1062 0.1152 0.1038 0.0033 -0.0037 0.0110 37 ILE A C 496 O O . ILE A 37 ? 0.1187 0.1283 0.0997 0.0223 -0.0079 0.0112 37 ILE A O 497 C CB . ILE A 37 ? 0.1100 0.1224 0.1153 -0.0071 -0.0095 0.0156 37 ILE A CB 498 C CG1 . ILE A 37 ? 0.1087 0.1655 0.1197 0.0047 0.0048 0.0203 37 ILE A CG1 499 C CG2 . ILE A 37 ? 0.1156 0.1374 0.1634 -0.0010 -0.0138 0.0175 37 ILE A CG2 500 C CD1 . ILE A 37 ? 0.1135 0.1541 0.1665 -0.0066 0.0254 0.0338 37 ILE A CD1 512 N N . ALA A 38 ? 0.1103 0.1147 0.1047 0.0113 -0.0053 0.0090 38 ALA A N 513 C CA . ALA A 38 ? 0.1242 0.1091 0.1141 0.0142 -0.0082 0.0067 38 ALA A CA 514 C C . ALA A 38 ? 0.1191 0.1305 0.1180 0.0291 -0.0235 0.0175 38 ALA A C 515 O O . ALA A 38 ? 0.1623 0.1268 0.1309 0.0308 -0.0143 0.0231 38 ALA A O 516 C CB . ALA A 38 ? 0.1283 0.1295 0.1653 0.0080 0.0112 -0.0113 38 ALA A CB 522 N N . GLY A 39 ? 0.1146 0.1172 0.1235 0.0263 -0.0187 0.0004 39 GLY A N 523 C CA . GLY A 39 ? 0.1266 0.1138 0.1419 0.0321 -0.0097 0.0083 39 GLY A CA 524 C C . GLY A 39 ? 0.1054 0.1309 0.1390 0.0263 -0.0086 0.0104 39 GLY A C 525 O O . GLY A 39 ? 0.1364 0.1235 0.1513 0.0316 0.0112 0.0157 39 GLY A O 529 N N . ASN A 40 ? 0.1338 0.1263 0.1676 0.0186 -0.0064 0.0002 40 ASN A N 530 C CA . ASN A 40 ? 0.1234 0.1199 0.1662 0.0241 0.0060 -0.0012 40 ASN A CA 531 C C . ASN A 40 ? 0.1014 0.1165 0.1925 0.0206 0.0137 -0.0238 40 ASN A C 532 O O . ASN A 40 ? 0.1304 0.1248 0.1697 0.0157 0.0235 -0.0169 40 ASN A O 533 C CB . ASN A 40 ? 0.1198 0.1533 0.2328 0.0318 -0.0088 0.0025 40 ASN A CB 534 C CG . ASN A 40 ? 0.1362 0.1670 0.2755 0.0522 -0.0229 0.0149 40 ASN A CG 535 O OD1 . ASN A 40 ? 0.1517 0.1844 0.3742 0.0292 -0.0696 0.0266 40 ASN A OD1 536 N ND2 . ASN A 40 ? 0.2852 0.2704 0.4167 0.0368 -0.1353 0.0761 40 ASN A ND2 543 N N . THR A 41 ? 0.1227 0.1254 0.1705 0.0096 0.0033 -0.0177 41 THR A N 544 C CA . THR A 41 ? 0.1015 0.1264 0.1728 0.0279 -0.0046 -0.0118 41 THR A CA 545 C C . THR A 41 ? 0.1071 0.1321 0.1654 0.0331 -0.0020 -0.0204 41 THR A C 546 O O . THR A 41 ? 0.1157 0.1087 0.1901 0.0274 0.0068 -0.0065 41 THR A O 547 C CB . THR A 41 ? 0.1371 0.1329 0.1682 0.0314 -0.0181 -0.0031 41 THR A CB 548 O OG1 . THR A 41 ? 0.1411 0.1447 0.1644 0.0363 -0.0020 -0.0009 41 THR A OG1 549 C CG2 . THR A 41 ? 0.1080 0.1507 0.1870 0.0235 0.0026 -0.0001 41 THR A CG2 556 N N . GLY A 42 ? 0.1083 0.1301 0.1812 0.0177 -0.0025 -0.0129 42 GLY A N 557 C CA . GLY A 42 ? 0.1288 0.1378 0.1930 0.0039 0.0327 -0.0268 42 GLY A CA 558 C C . GLY A 42 ? 0.1314 0.1207 0.1823 0.0054 0.0180 -0.0175 42 GLY A C 559 O O . GLY A 42 ? 0.1592 0.1428 0.2136 -0.0124 0.0254 -0.0143 42 GLY A O 563 N N . ASP A 43 ? 0.1216 0.1326 0.1719 0.0167 0.0005 -0.0127 43 ASP A N 564 C CA . ASP A 43 ? 0.1244 0.1251 0.1951 0.0027 0.0016 0.0055 43 ASP A CA 565 C C . ASP A 43 ? 0.1190 0.1175 0.1731 0.0037 0.0164 0.0006 43 ASP A C 566 O O . ASP A 43 ? 0.1459 0.1268 0.1648 0.0183 0.0064 0.0049 43 ASP A O 567 C CB . ASP A 43 ? 0.1220 0.1445 0.1771 -0.0083 0.0118 0.0057 43 ASP A CB 568 C CG . ASP A 43 ? 0.1235 0.1421 0.2649 -0.0015 -0.0116 0.0375 43 ASP A CG 569 O OD1 . ASP A 43 ? 0.1568 0.1800 0.3267 0.0400 -0.0156 0.0023 43 ASP A OD1 570 O OD2 . ASP A 43 ? 0.1520 0.1722 0.2175 -0.0118 -0.0134 0.0411 43 ASP A OD2 575 N N . ASN A 44 ? 0.1232 0.1202 0.1758 0.0142 0.0006 0.0128 44 ASN A N 576 C CA . ASN A 44 ? 0.1181 0.1102 0.1636 0.0172 -0.0081 0.0169 44 ASN A CA 577 C C . ASN A 44 ? 0.1329 0.1085 0.1584 0.0173 -0.0053 0.0204 44 ASN A C 578 O O . ASN A 44 ? 0.2233 0.1473 0.1771 0.0694 -0.0498 0.0094 44 ASN A O 579 C CB . ASN A 44 ? 0.1330 0.1270 0.1685 0.0268 0.0030 0.0264 44 ASN A CB 580 C CG . ASN A 44 ? 0.1709 0.1217 0.1808 0.0136 0.0218 0.0384 44 ASN A CG 581 O OD1 . ASN A 44 ? 0.1431 0.1921 0.2454 0.0095 -0.0046 0.0594 44 ASN A OD1 582 N ND2 . ASN A 44 ? 0.1815 0.1933 0.2345 0.0448 0.0445 0.1014 44 ASN A ND2 589 N N . PHE A 45 ? 0.1155 0.1133 0.1465 0.0101 -0.0042 0.0122 45 PHE A N 590 C CA . PHE A 45 ? 0.1177 0.1100 0.1372 0.0136 -0.0093 0.0170 45 PHE A CA 591 C C . PHE A 45 ? 0.1098 0.1238 0.1408 0.0197 0.0000 0.0233 45 PHE A C 592 O O . PHE A 45 ? 0.1149 0.1450 0.1502 0.0066 -0.0016 0.0230 45 PHE A O 593 C CB . PHE A 45 ? 0.1229 0.1196 0.1441 0.0088 -0.0143 0.0245 45 PHE A CB 594 C CG . PHE A 45 ? 0.1214 0.1234 0.1310 0.0109 -0.0239 0.0196 45 PHE A CG 595 C CD1 . PHE A 45 ? 0.1290 0.1254 0.1412 0.0186 -0.0261 0.0092 45 PHE A CD1 596 C CD2 . PHE A 45 ? 0.1493 0.1575 0.1413 -0.0195 -0.0141 0.0086 45 PHE A CD2 597 C CE1 . PHE A 45 ? 0.1429 0.1337 0.1526 0.0045 -0.0391 0.0218 45 PHE A CE1 598 C CE2 . PHE A 45 ? 0.1486 0.2060 0.1267 -0.0091 -0.0095 0.0064 45 PHE A CE2 599 C CZ . PHE A 45 ? 0.1466 0.1658 0.1621 -0.0108 -0.0455 0.0454 45 PHE A CZ 609 N N . GLN A 46 ? 0.1174 0.1282 0.1373 0.0041 -0.0007 0.0258 46 GLN A N 610 C CA . GLN A 46 ? 0.1178 0.1404 0.1397 0.0015 -0.0095 0.0217 46 GLN A CA 611 C C . GLN A 46 ? 0.1302 0.1305 0.1399 0.0080 0.0024 0.0263 46 GLN A C 612 O O . GLN A 46 ? 0.1428 0.1402 0.1453 0.0155 -0.0178 0.0224 46 GLN A O 613 C CB . GLN A 46 ? 0.1847 0.1330 0.1598 0.0054 -0.0019 0.0269 46 GLN A CB 614 C CG . GLN A 46 ? 0.2087 0.1320 0.1862 0.0052 0.0063 0.0178 46 GLN A CG 615 C CD . GLN A 46 ? 0.2771 0.1716 0.2204 0.0466 0.0342 0.0498 46 GLN A CD 616 O OE1 . GLN A 46 ? 0.4039 0.1825 0.2691 0.0854 0.0663 0.0427 46 GLN A OE1 617 N NE2 . GLN A 46 ? 0.3338 0.1617 0.2142 0.0525 0.0152 0.0613 46 GLN A NE2 626 N N . ILE A 47 ? 0.1123 0.1393 0.1388 0.0162 0.0041 0.0183 47 ILE A N 627 C CA . ILE A 47 ? 0.1104 0.1309 0.1296 0.0065 -0.0054 0.0161 47 ILE A CA 628 C C . ILE A 47 ? 0.1081 0.1230 0.1334 0.0189 -0.0011 0.0209 47 ILE A C 629 O O . ILE A 47 ? 0.1182 0.1336 0.1431 -0.0017 -0.0057 0.0159 47 ILE A O 630 C CB . ILE A 47 ? 0.1264 0.1413 0.1280 -0.0015 -0.0073 0.0252 47 ILE A CB 631 C CG1 . ILE A 47 ? 0.1838 0.1509 0.1387 -0.0018 0.0309 0.0101 47 ILE A CG1 632 C CG2 . ILE A 47 ? 0.1192 0.1364 0.1528 0.0107 -0.0014 0.0281 47 ILE A CG2 633 C CD1 . ILE A 47 ? 0.1463 0.1935 0.1753 0.0133 -0.0012 0.0208 47 ILE A CD1 645 N N . THR A 48 ? 0.1214 0.1295 0.1221 0.0019 0.0042 0.0255 48 THR A N 646 C CA . THR A 48 ? 0.1551 0.1297 0.1420 0.0002 0.0234 0.0350 48 THR A CA 647 C C . THR A 48 ? 0.1370 0.1268 0.1260 -0.0005 0.0022 0.0331 48 THR A C 648 O O . THR A 48 ? 0.1406 0.1406 0.1361 -0.0025 -0.0057 0.0252 48 THR A O 649 C CB . THR A 48 ? 0.1572 0.1381 0.1740 0.0173 0.0172 0.0483 48 THR A CB 650 O OG1 . THR A 48 ? 0.2310 0.1352 0.1941 0.0087 0.0352 0.0566 48 THR A OG1 651 C CG2 . THR A 48 ? 0.1867 0.1910 0.1724 -0.0128 0.0499 0.0447 48 THR A CG2 658 N N . VAL A 49 ? 0.1217 0.1285 0.1252 -0.0008 0.0083 0.0247 49 VAL A N 659 C CA . VAL A 49 ? 0.1240 0.1346 0.1095 0.0012 0.0055 0.0168 49 VAL A CA 660 C C . VAL A 49 ? 0.1281 0.1229 0.1151 -0.0022 0.0027 0.0266 49 VAL A C 661 O O . VAL A 49 ? 0.1453 0.1528 0.1316 -0.0352 0.0220 0.0185 49 VAL A O 662 C CB . VAL A 49 ? 0.1165 0.1341 0.1065 -0.0020 -0.0032 0.0188 49 VAL A CB 663 C CG1 . VAL A 49 ? 0.1332 0.1418 0.1146 0.0003 0.0105 0.0102 49 VAL A CG1 664 C CG2 . VAL A 49 ? 0.1318 0.1397 0.1048 -0.0147 -0.0010 0.0102 49 VAL A CG2 674 N N . PHE A 50 ? 0.1341 0.1372 0.0990 -0.0035 0.0035 0.0236 50 PHE A N 675 C CA . PHE A 50 ? 0.1373 0.1503 0.0982 -0.0089 0.0093 0.0265 50 PHE A CA 676 C C . PHE A 50 ? 0.1329 0.1423 0.1072 -0.0149 0.0240 0.0223 50 PHE A C 677 O O . PHE A 50 ? 0.1190 0.1484 0.1437 -0.0243 0.0194 0.0204 50 PHE A O 678 C CB . PHE A 50 ? 0.1572 0.1993 0.0969 -0.0119 0.0080 0.0450 50 PHE A CB 679 C CG . PHE A 50 ? 0.1814 0.2004 0.1157 -0.0009 -0.0224 0.0474 50 PHE A CG 680 C CD1 . PHE A 50 ? 0.1961 0.2123 0.1610 -0.0005 -0.0018 0.0764 50 PHE A CD1 681 C CD2 . PHE A 50 ? 0.1839 0.2169 0.1562 0.0217 -0.0217 0.0670 50 PHE A CD2 682 C CE1 . PHE A 50 ? 0.2601 0.2439 0.2091 0.0320 0.0133 0.1133 50 PHE A CE1 683 C CE2 . PHE A 50 ? 0.1623 0.2602 0.2239 0.0561 -0.0125 0.0833 50 PHE A CE2 684 C CZ . PHE A 50 ? 0.2662 0.2112 0.2161 0.0549 -0.0100 0.0852 50 PHE A CZ 694 N N . ASN A 51 ? 0.1221 0.1327 0.1110 -0.0162 0.0137 0.0211 51 ASN A N 695 C CA . ASN A 51 ? 0.1361 0.1360 0.0921 -0.0063 0.0088 0.0244 51 ASN A CA 696 C C . ASN A 51 ? 0.1275 0.1504 0.0948 -0.0123 0.0114 0.0247 51 ASN A C 697 O O . ASN A 51 ? 0.1329 0.1747 0.1055 -0.0247 0.0239 0.0290 51 ASN A O 698 C CB . ASN A 51 ? 0.1456 0.1490 0.0928 -0.0172 0.0056 0.0167 51 ASN A CB 699 C CG . ASN A 51 ? 0.1345 0.1382 0.0955 -0.0071 0.0108 0.0230 51 ASN A CG 700 O OD1 . ASN A 51 ? 0.1387 0.1534 0.1129 -0.0033 -0.0088 0.0043 51 ASN A OD1 701 N ND2 . ASN A 51 ? 0.1194 0.1451 0.0970 -0.0083 0.0163 0.0114 51 ASN A ND2 708 N N . ASP A 52 ? 0.1239 0.1555 0.0880 -0.0043 0.0121 0.0179 52 ASP A N 709 C CA . ASP A 52 ? 0.1637 0.1662 0.0809 0.0014 -0.0088 0.0298 52 ASP A CA 710 C C . ASP A 52 ? 0.1256 0.1763 0.0734 -0.0128 0.0169 0.0185 52 ASP A C 711 O O . ASP A 52 ? 0.1506 0.1718 0.0785 -0.0102 0.0007 0.0087 52 ASP A O 712 C CB . ASP A 52 ? 0.1865 0.1873 0.1249 0.0138 -0.0258 0.0093 52 ASP A CB 713 C CG . ASP A 52 ? 0.2194 0.2307 0.1792 0.0240 -0.0114 0.0390 52 ASP A CG 714 O OD1 . ASP A 52 ? 0.2698 0.2235 0.1794 -0.0326 -0.0346 0.0739 52 ASP A OD1 715 O OD2 . ASP A 52 ? 0.2036 0.2945 0.3827 0.0412 -0.0564 -0.0014 52 ASP A OD2 720 N N . LEU A 53 ? 0.1212 0.1457 0.0862 -0.0138 0.0116 0.0092 53 LEU A N 721 C CA . LEU A 53 ? 0.1232 0.1494 0.0881 -0.0090 0.0145 0.0065 53 LEU A CA 722 C C . LEU A 53 ? 0.1269 0.1544 0.0877 -0.0075 0.0133 0.0122 53 LEU A C 723 O O . LEU A 53 ? 0.1292 0.1754 0.1236 -0.0271 0.0249 0.0000 53 LEU A O 724 C CB . LEU A 53 ? 0.1151 0.1564 0.0869 0.0008 0.0103 0.0088 53 LEU A CB 725 C CG . LEU A 53 ? 0.1222 0.1483 0.0850 -0.0149 0.0188 0.0108 53 LEU A CG 726 C CD1 . LEU A 53 ? 0.1371 0.1789 0.0827 -0.0059 0.0162 -0.0071 53 LEU A CD1 727 C CD2 . LEU A 53 ? 0.1439 0.1661 0.0838 -0.0072 0.0245 0.0086 53 LEU A CD2 739 N N . THR A 54 ? 0.1215 0.1520 0.0749 -0.0031 0.0217 0.0143 54 THR A N 740 C CA . THR A 54 ? 0.1319 0.1589 0.0853 -0.0110 0.0176 0.0082 54 THR A CA 741 C C . THR A 54 ? 0.1191 0.1754 0.0885 -0.0005 0.0166 0.0124 54 THR A C 742 O O . THR A 54 ? 0.1203 0.1792 0.1263 0.0049 0.0319 0.0136 54 THR A O 743 C CB . THR A 54 ? 0.1337 0.1890 0.0853 0.0090 0.0163 0.0210 54 THR A CB 744 O OG1 . THR A 54 ? 0.1480 0.1772 0.0865 -0.0002 -0.0040 0.0123 54 THR A OG1 745 C CG2 . THR A 54 ? 0.1717 0.1848 0.0820 0.0037 0.0245 0.0314 54 THR A CG2 752 N N . ASP A 55 ? 0.1310 0.1628 0.0889 0.0089 0.0143 0.0201 55 ASP A N 753 C CA . ASP A 55 ? 0.1289 0.1786 0.1094 0.0109 0.0071 0.0167 55 ASP A CA 754 C C . ASP A 55 ? 0.1181 0.1710 0.0871 0.0132 0.0192 0.0201 55 ASP A C 755 O O . ASP A 55 ? 0.1267 0.1823 0.0878 0.0076 0.0111 0.0117 55 ASP A O 756 C CB . ASP A 55 ? 0.1459 0.1757 0.0857 -0.0018 0.0110 0.0201 55 ASP A CB 757 C CG . ASP A 55 ? 0.1746 0.1746 0.1148 0.0072 0.0113 0.0291 55 ASP A CG 758 O OD1 . ASP A 55 ? 0.1595 0.1811 0.1234 0.0278 0.0097 0.0240 55 ASP A OD1 759 O OD2 . ASP A 55 ? 0.1848 0.1703 0.1880 0.0030 0.0291 0.0185 55 ASP A OD2 764 N N . PRO A 56 ? 0.1136 0.2187 0.0991 0.0114 0.0226 0.0370 56 PRO A N 765 C CA . PRO A 56 ? 0.1160 0.2163 0.1227 -0.0031 0.0114 0.0421 56 PRO A CA 766 C C . PRO A 56 ? 0.1046 0.1955 0.1070 -0.0040 0.0160 0.0322 56 PRO A C 767 O O . PRO A 56 ? 0.1203 0.2100 0.1071 0.0121 0.0082 0.0277 56 PRO A O 768 C CB . PRO A 56 ? 0.1135 0.3034 0.1700 -0.0232 0.0169 0.0972 56 PRO A CB 769 C CG . PRO A 56 ? 0.1473 0.5566 0.1590 0.0354 0.0635 0.0179 56 PRO A CG 770 C CD . PRO A 56 ? 0.1564 0.2753 0.1251 0.0526 0.0542 0.0543 56 PRO A CD 778 N N . SER A 57 ? 0.1247 0.1832 0.1074 0.0237 0.0219 0.0139 57 SER A N 779 C CA . SER A 57 ? 0.1432 0.1803 0.1090 0.0358 0.0233 0.0099 57 SER A CA 780 C C . SER A 57 ? 0.1215 0.1603 0.0983 0.0153 0.0115 0.0048 57 SER A C 781 O O . SER A 57 ? 0.1318 0.1731 0.1044 0.0265 0.0195 0.0170 57 SER A O 782 C CB . SER A 57 ? 0.1788 0.1820 0.1133 0.0280 0.0187 -0.0011 57 SER A CB 783 O OG . SER A 57 ? 0.1920 0.1930 0.1216 0.0098 0.0105 0.0141 57 SER A OG 788 N N . MET A 58 ? 0.1089 0.1595 0.0876 0.0064 0.0106 0.0050 58 MET A N 789 C CA . MET A 58 ? 0.1066 0.1408 0.1016 0.0054 0.0165 0.0118 58 MET A CA 790 C C . MET A 58 ? 0.1082 0.1446 0.0990 0.0024 0.0144 0.0092 58 MET A C 791 O O . MET A 58 ? 0.1111 0.1478 0.0987 0.0030 0.0181 0.0027 58 MET A O 792 C CB . MET A 58 ? 0.1121 0.1527 0.1179 0.0071 0.0067 -0.0023 58 MET A CB 793 C CG . MET A 58 ? 0.1355 0.1455 0.1227 -0.0072 0.0160 0.0041 58 MET A CG 794 S SD . MET A 58 ? 0.1166 0.1631 0.1331 -0.0053 0.0144 -0.0005 58 MET A SD 795 C CE . MET A 58 ? 0.1949 0.1720 0.1462 0.0016 -0.0346 0.0005 58 MET A CE 805 N N . LEU A 59 ? 0.1060 0.1525 0.0977 -0.0086 0.0148 0.0100 59 LEU A N 806 C CA . LEU A 59 ? 0.1086 0.1606 0.0978 -0.0116 0.0114 0.0142 59 LEU A CA 807 C C . LEU A 59 ? 0.1155 0.1430 0.0890 -0.0093 0.0132 0.0084 59 LEU A C 808 O O . LEU A 59 ? 0.1122 0.1693 0.1190 -0.0114 0.0122 0.0161 59 LEU A O 809 C CB . LEU A 59 ? 0.1219 0.1584 0.1016 0.0049 0.0105 0.0059 59 LEU A CB 810 C CG . LEU A 59 ? 0.1330 0.1818 0.1012 0.0116 0.0081 0.0193 59 LEU A CG 811 C CD1 . LEU A 59 ? 0.1480 0.1908 0.1184 0.0135 -0.0107 0.0142 59 LEU A CD1 812 C CD2 . LEU A 59 ? 0.1400 0.2176 0.1362 0.0324 -0.0010 0.0252 59 LEU A CD2 824 N N . THR A 60 ? 0.1282 0.1385 0.0972 -0.0002 0.0206 0.0067 60 THR A N 825 C CA . THR A 60 ? 0.1130 0.1510 0.0959 -0.0034 0.0203 0.0121 60 THR A CA 826 C C . THR A 60 ? 0.1240 0.1454 0.0942 -0.0139 0.0223 0.0082 60 THR A C 827 O O . THR A 60 ? 0.1616 0.1511 0.1159 0.0109 -0.0034 0.0049 60 THR A O 828 C CB . THR A 60 ? 0.1508 0.1699 0.0926 -0.0041 0.0237 0.0093 60 THR A CB 829 O OG1 . THR A 60 ? 0.1285 0.1866 0.1164 -0.0152 0.0281 0.0112 60 THR A OG1 830 C CG2 . THR A 60 ? 0.1692 0.1746 0.0929 0.0097 0.0182 0.0089 60 THR A CG2 837 N N . ASP A 61 ? 0.1048 0.1415 0.0970 -0.0055 0.0146 0.0043 61 ASP A N 838 C CA . ASP A 61 ? 0.1108 0.1554 0.0901 -0.0098 0.0239 0.0031 61 ASP A CA 839 C C . ASP A 61 ? 0.1165 0.1351 0.0950 -0.0253 0.0262 0.0022 61 ASP A C 840 O O . ASP A 61 ? 0.1111 0.1367 0.1077 -0.0163 0.0243 0.0042 61 ASP A O 841 C CB . ASP A 61 ? 0.1217 0.1848 0.1068 -0.0341 0.0226 -0.0116 61 ASP A CB 842 C CG . ASP A 61 ? 0.0941 0.2429 0.1439 -0.0072 0.0189 0.0032 61 ASP A CG 843 O OD1 . ASP A 61 ? 0.1411 0.2376 0.1388 -0.0453 0.0378 -0.0033 61 ASP A OD1 844 O OD2 . ASP A 61 ? 0.1535 0.2807 0.2744 0.0213 0.0538 0.0200 61 ASP A OD2 849 N N . THR A 62 ? 0.1015 0.1329 0.0921 -0.0176 0.0172 0.0151 62 THR A N 850 C CA . THR A 62 ? 0.0892 0.1516 0.0892 -0.0058 0.0188 0.0117 62 THR A CA 851 C C . THR A 62 ? 0.0898 0.1283 0.0840 -0.0090 0.0063 0.0147 62 THR A C 852 O O . THR A 62 ? 0.1162 0.1298 0.1055 -0.0295 0.0217 0.0147 62 THR A O 853 C CB . THR A 62 ? 0.0904 0.1417 0.1056 -0.0185 0.0160 0.0055 62 THR A CB 854 O OG1 . THR A 62 ? 0.0934 0.1369 0.1247 -0.0234 0.0197 0.0027 62 THR A OG1 855 C CG2 . THR A 62 ? 0.1273 0.1597 0.0986 -0.0198 0.0000 0.0194 62 THR A CG2 862 N N . SER A 63 ? 0.0938 0.1159 0.0923 -0.0065 0.0215 0.0117 63 SER A N 863 C CA . SER A 63 ? 0.0910 0.1114 0.0951 -0.0065 0.0101 0.0115 63 SER A CA 864 C C . SER A 63 ? 0.0933 0.1019 0.0956 -0.0058 0.0110 0.0155 63 SER A C 865 O O . SER A 63 ? 0.0908 0.1084 0.1124 -0.0050 0.0244 0.0233 63 SER A O 866 C CB . SER A 63 ? 0.0992 0.1415 0.1052 -0.0293 0.0170 -0.0068 63 SER A CB 867 O OG . SER A 63 ? 0.1597 0.1276 0.1176 -0.0454 0.0165 0.0044 63 SER A OG 870 N N . ILE A 64 ? 0.0846 0.1045 0.0942 -0.0103 0.0119 0.0160 64 ILE A N 871 C CA . ILE A 64 ? 0.0806 0.1125 0.0932 -0.0137 0.0073 0.0079 64 ILE A CA 872 C C . ILE A 64 ? 0.0679 0.1021 0.0887 -0.0031 0.0035 0.0071 64 ILE A C 873 O O . ILE A 64 ? 0.1048 0.0935 0.0956 0.0002 -0.0004 0.0067 64 ILE A O 874 C CB . ILE A 64 ? 0.0909 0.1456 0.0990 -0.0144 -0.0092 0.0036 64 ILE A CB 875 C CG1 A ILE A 64 ? 0.1288 0.1599 0.0959 -0.0406 -0.0023 0.0113 64 ILE A CG1 876 C CG1 B ILE A 64 ? 0.1073 0.1174 0.1083 -0.0108 0.0007 0.0223 64 ILE A CG1 877 C CG2 A ILE A 64 ? 0.0854 0.1685 0.1331 -0.0130 0.0062 -0.0021 64 ILE A CG2 878 C CG2 B ILE A 64 ? 0.0826 0.1034 0.1141 -0.0090 -0.0110 -0.0021 64 ILE A CG2 879 C CD1 A ILE A 64 ? 0.1105 0.1523 0.1516 -0.0257 -0.0229 0.0188 64 ILE A CD1 880 C CD1 B ILE A 64 ? 0.1599 0.1361 0.1095 -0.0195 -0.0331 0.0157 64 ILE A CD1 884 N N . HIS A 65 ? 0.0722 0.0885 0.0959 -0.0066 0.0024 0.0048 65 HIS A N 885 C CA . HIS A 65 ? 0.0741 0.0939 0.0872 -0.0059 0.0013 0.0063 65 HIS A CA 886 C C . HIS A 65 ? 0.0701 0.0958 0.0876 -0.0036 -0.0013 0.0115 65 HIS A C 887 O O . HIS A 65 ? 0.0714 0.0973 0.1054 -0.0058 0.0027 -0.0005 65 HIS A O 888 C CB . HIS A 65 ? 0.0786 0.0945 0.1082 0.0031 0.0002 0.0038 65 HIS A CB 889 C CG . HIS A 65 ? 0.0736 0.0914 0.0953 0.0049 -0.0018 0.0040 65 HIS A CG 890 N ND1 . HIS A 65 ? 0.0820 0.0906 0.0990 -0.0015 -0.0053 0.0083 65 HIS A ND1 891 C CD2 . HIS A 65 ? 0.0763 0.0951 0.0945 0.0000 -0.0018 0.0046 65 HIS A CD2 892 C CE1 . HIS A 65 ? 0.0812 0.0915 0.0897 -0.0129 -0.0058 0.0082 65 HIS A CE1 893 N NE2 . HIS A 65 ? 0.0861 0.0877 0.0888 -0.0012 0.0027 0.0081 65 HIS A NE2 901 N N . TRP A 66 ? 0.0686 0.0849 0.0992 -0.0034 -0.0006 0.0051 66 TRP A N 902 C CA . TRP A 66 ? 0.0685 0.0808 0.0908 0.0043 -0.0081 -0.0013 66 TRP A CA 903 C C . TRP A 66 ? 0.0606 0.0852 0.0954 -0.0014 -0.0048 0.0015 66 TRP A C 904 O O . TRP A 66 ? 0.0829 0.0820 0.0954 0.0001 0.0021 -0.0002 66 TRP A O 905 C CB . TRP A 66 ? 0.0863 0.0880 0.0946 0.0136 0.0012 0.0107 66 TRP A CB 906 C CG . TRP A 66 ? 0.0956 0.0809 0.1035 0.0008 0.0017 0.0237 66 TRP A CG 907 C CD1 . TRP A 66 ? 0.1009 0.0907 0.1068 -0.0069 -0.0103 0.0135 66 TRP A CD1 908 C CD2 . TRP A 66 ? 0.0923 0.0847 0.1018 0.0054 -0.0038 0.0229 66 TRP A CD2 909 N NE1 . TRP A 66 ? 0.0954 0.1010 0.1208 -0.0115 -0.0048 0.0191 66 TRP A NE1 910 C CE2 . TRP A 66 ? 0.1148 0.0940 0.1135 0.0045 -0.0014 0.0205 66 TRP A CE2 911 C CE3 . TRP A 66 ? 0.0939 0.1039 0.1103 -0.0024 -0.0111 0.0260 66 TRP A CE3 912 C CZ2 . TRP A 66 ? 0.1184 0.1101 0.1167 0.0050 0.0037 0.0238 66 TRP A CZ2 913 C CZ3 . TRP A 66 ? 0.1118 0.1196 0.1155 -0.0012 -0.0195 0.0205 66 TRP A CZ3 914 C CH2 . TRP A 66 ? 0.1311 0.1362 0.1077 -0.0063 -0.0107 0.0354 66 TRP A CH2 925 N N . HIS A 67 ? 0.0644 0.0910 0.0820 -0.0059 -0.0032 0.0054 67 HIS A N 926 C CA . HIS A 67 ? 0.0615 0.0844 0.0965 -0.0081 -0.0034 0.0070 67 HIS A CA 927 C C . HIS A 67 ? 0.0670 0.0891 0.0917 0.0077 0.0000 0.0091 67 HIS A C 928 O O . HIS A 67 ? 0.0664 0.1218 0.0940 0.0079 0.0016 0.0039 67 HIS A O 929 C CB . HIS A 67 ? 0.0749 0.0911 0.0857 0.0025 -0.0009 0.0065 67 HIS A CB 930 C CG . HIS A 67 ? 0.0678 0.0755 0.0890 -0.0116 0.0000 0.0000 67 HIS A CG 931 N ND1 . HIS A 67 ? 0.1004 0.0728 0.0777 0.0060 -0.0037 -0.0026 67 HIS A ND1 932 C CD2 . HIS A 67 ? 0.0877 0.0950 0.0923 -0.0062 -0.0059 0.0097 67 HIS A CD2 933 C CE1 . HIS A 67 ? 0.0787 0.0805 0.0804 -0.0047 -0.0054 -0.0019 67 HIS A CE1 934 N NE2 . HIS A 67 ? 0.0848 0.0903 0.0904 -0.0084 -0.0085 0.0010 67 HIS A NE2 942 N N . GLY A 68 ? 0.0713 0.0844 0.0968 -0.0004 0.0001 -0.0002 68 GLY A N 943 C CA . GLY A 68 ? 0.0705 0.0834 0.0947 -0.0037 -0.0041 -0.0010 68 GLY A CA 944 C C . GLY A 68 ? 0.0763 0.0882 0.0866 0.0020 -0.0077 -0.0006 68 GLY A C 945 O O . GLY A 68 ? 0.0864 0.0864 0.1028 0.0111 0.0064 -0.0037 68 GLY A O 949 N N . LEU A 69 ? 0.0725 0.0842 0.0958 0.0009 -0.0002 -0.0042 69 LEU A N 950 C CA . LEU A 69 ? 0.0734 0.0816 0.1141 -0.0039 0.0102 0.0023 69 LEU A CA 951 C C . LEU A 69 ? 0.0679 0.0767 0.1211 -0.0016 -0.0018 0.0031 69 LEU A C 952 O O . LEU A 69 ? 0.0665 0.0891 0.1511 0.0046 0.0038 -0.0023 69 LEU A O 953 C CB . LEU A 69 ? 0.0912 0.0920 0.1219 0.0037 0.0024 0.0106 69 LEU A CB 954 C CG . LEU A 69 ? 0.1189 0.1040 0.1327 -0.0137 -0.0214 -0.0036 69 LEU A CG 955 C CD1 A LEU A 69 ? 0.0900 0.1253 0.1560 0.0272 -0.0295 0.0269 69 LEU A CD1 956 C CD1 B LEU A 69 ? 0.1559 0.1636 0.1356 0.0367 -0.0297 0.0115 69 LEU A CD1 957 C CD2 A LEU A 69 ? 0.0530 0.0890 0.1108 -0.0111 -0.0086 0.0090 69 LEU A CD2 958 C CD2 B LEU A 69 ? 0.0789 0.1432 0.1154 -0.0291 -0.0365 0.0354 69 LEU A CD2 975 N N . PHE A 70 ? 0.0770 0.0772 0.1219 0.0001 -0.0128 -0.0026 70 PHE A N 976 C CA . PHE A 70 ? 0.0879 0.0806 0.1172 -0.0011 -0.0165 0.0007 70 PHE A CA 977 C C . PHE A 70 ? 0.0770 0.0774 0.1239 -0.0024 -0.0024 -0.0032 70 PHE A C 978 O O . PHE A 70 ? 0.0840 0.0916 0.1254 -0.0061 -0.0077 0.0019 70 PHE A O 979 C CB . PHE A 70 ? 0.0783 0.0917 0.1181 -0.0042 -0.0127 -0.0005 70 PHE A CB 980 C CG . PHE A 70 ? 0.0860 0.1123 0.1220 -0.0131 -0.0095 0.0045 70 PHE A CG 981 C CD1 . PHE A 70 ? 0.0761 0.1101 0.1295 -0.0139 -0.0248 0.0145 70 PHE A CD1 982 C CD2 . PHE A 70 ? 0.1154 0.1212 0.1367 -0.0149 0.0049 -0.0115 70 PHE A CD2 983 C CE1 . PHE A 70 ? 0.1110 0.1162 0.1376 -0.0213 -0.0240 0.0208 70 PHE A CE1 984 C CE2 . PHE A 70 ? 0.1261 0.1630 0.1475 -0.0197 0.0281 -0.0059 70 PHE A CE2 985 C CZ . PHE A 70 ? 0.1076 0.1553 0.1369 -0.0385 -0.0047 0.0136 70 PHE A CZ 995 N N . GLN A 71 ? 0.0732 0.0754 0.1277 -0.0063 -0.0120 0.0034 71 GLN A N 996 C CA . GLN A 71 ? 0.0845 0.0775 0.1273 -0.0067 -0.0041 0.0142 71 GLN A CA 997 C C . GLN A 71 ? 0.0984 0.0856 0.1219 -0.0024 -0.0104 0.0115 71 GLN A C 998 O O . GLN A 71 ? 0.0898 0.0840 0.1433 -0.0041 -0.0024 0.0009 71 GLN A O 999 C CB . GLN A 71 ? 0.0839 0.0907 0.1292 -0.0044 -0.0018 0.0006 71 GLN A CB 1000 C CG . GLN A 71 ? 0.0936 0.0872 0.1205 0.0007 -0.0018 0.0059 71 GLN A CG 1001 C CD . GLN A 71 ? 0.1015 0.0931 0.1203 -0.0061 -0.0006 0.0045 71 GLN A CD 1002 O OE1 . GLN A 71 ? 0.1286 0.0893 0.1426 -0.0051 -0.0152 0.0179 71 GLN A OE1 1003 N NE2 . GLN A 71 ? 0.1346 0.0889 0.1234 -0.0075 -0.0225 0.0071 71 GLN A NE2 1012 N N . LYS A 72 ? 0.1097 0.0769 0.1414 -0.0085 0.0029 -0.0022 72 LYS A N 1013 C CA . LYS A 72 ? 0.1041 0.0891 0.1528 -0.0126 -0.0024 -0.0057 72 LYS A CA 1014 C C . LYS A 72 ? 0.1002 0.0774 0.1635 0.0035 0.0070 -0.0137 72 LYS A C 1015 O O . LYS A 72 ? 0.1187 0.0904 0.1714 -0.0051 -0.0058 0.0127 72 LYS A O 1016 C CB . LYS A 72 ? 0.0972 0.0893 0.1590 0.0000 -0.0002 -0.0040 72 LYS A CB 1017 C CG . LYS A 72 ? 0.1425 0.0890 0.1719 -0.0053 -0.0015 -0.0171 72 LYS A CG 1018 C CD . LYS A 72 ? 0.1862 0.1785 0.2277 -0.0357 0.0353 -0.0855 72 LYS A CD 1019 C CE . LYS A 72 ? 0.2727 0.1963 0.2244 -0.0567 0.0475 -0.0923 72 LYS A CE 1020 N NZ A LYS A 72 ? 0.1221 0.2230 0.2262 0.0050 0.0085 -0.0859 72 LYS A NZ 1021 N NZ B LYS A 72 ? 0.3038 0.2198 0.3151 -0.0209 -0.0170 -0.0417 72 LYS A NZ 1030 N N . GLY A 73 ? 0.1026 0.0890 0.1672 -0.0159 -0.0084 0.0007 73 GLY A N 1031 C CA . GLY A 73 ? 0.1051 0.0826 0.1889 -0.0033 0.0087 0.0040 73 GLY A CA 1032 C C . GLY A 73 ? 0.1107 0.0900 0.1912 -0.0171 0.0011 0.0191 73 GLY A C 1033 O O . GLY A 73 ? 0.1313 0.1021 0.1854 -0.0215 0.0023 0.0198 73 GLY A O 1037 N N . THR A 74 ? 0.1008 0.0827 0.1585 -0.0103 -0.0004 0.0111 74 THR A N 1038 C CA . THR A 74 ? 0.0932 0.0931 0.1610 -0.0078 -0.0023 0.0278 74 THR A CA 1039 C C . THR A 74 ? 0.0822 0.0973 0.1435 -0.0073 0.0002 0.0163 74 THR A C 1040 O O . THR A 74 ? 0.0881 0.0978 0.1468 -0.0082 -0.0025 0.0118 74 THR A O 1041 C CB . THR A 74 ? 0.1059 0.0976 0.1483 0.0043 -0.0036 0.0126 74 THR A CB 1042 O OG1 . THR A 74 ? 0.1008 0.0970 0.1533 -0.0036 -0.0098 0.0064 74 THR A OG1 1043 C CG2 . THR A 74 ? 0.1186 0.0953 0.1770 -0.0058 -0.0100 0.0331 74 THR A CG2 1050 N N . ASN A 75 ? 0.0948 0.0788 0.1465 -0.0079 0.0015 0.0157 75 ASN A N 1051 C CA . ASN A 75 ? 0.0848 0.0927 0.1277 -0.0039 -0.0024 0.0149 75 ASN A CA 1052 C C . ASN A 75 ? 0.0866 0.0921 0.1260 -0.0102 -0.0057 0.0158 75 ASN A C 1053 O O . ASN A 75 ? 0.0900 0.0855 0.1299 -0.0117 -0.0036 0.0071 75 ASN A O 1054 C CB . ASN A 75 ? 0.0921 0.0832 0.1412 -0.0179 -0.0067 0.0031 75 ASN A CB 1055 C CG . ASN A 75 ? 0.0934 0.0901 0.1229 -0.0127 -0.0095 0.0061 75 ASN A CG 1056 O OD1 . ASN A 75 ? 0.0945 0.1050 0.1461 -0.0136 -0.0005 0.0163 75 ASN A OD1 1057 N ND2 . ASN A 75 ? 0.0935 0.0835 0.1316 -0.0159 0.0020 0.0047 75 ASN A ND2 1064 N N . TRP A 76 ? 0.0920 0.0965 0.1303 -0.0116 -0.0014 0.0155 76 TRP A N 1065 C CA . TRP A 76 ? 0.1025 0.0893 0.1399 -0.0130 -0.0041 0.0195 76 TRP A CA 1066 C C . TRP A 76 ? 0.1008 0.0870 0.1316 -0.0153 0.0034 0.0226 76 TRP A C 1067 O O . TRP A 76 ? 0.1095 0.1066 0.1249 -0.0155 0.0012 0.0177 76 TRP A O 1068 C CB . TRP A 76 ? 0.1075 0.0928 0.1615 -0.0153 -0.0002 0.0268 76 TRP A CB 1069 C CG . TRP A 76 ? 0.1017 0.0998 0.1708 -0.0209 0.0106 0.0361 76 TRP A CG 1070 C CD1 . TRP A 76 ? 0.1264 0.0939 0.1477 -0.0209 0.0083 0.0247 76 TRP A CD1 1071 C CD2 . TRP A 76 ? 0.0977 0.1123 0.1676 -0.0096 0.0095 0.0385 76 TRP A CD2 1072 N NE1 . TRP A 76 ? 0.1271 0.0942 0.2081 0.0031 0.0202 0.0280 76 TRP A NE1 1073 C CE2 . TRP A 76 ? 0.1226 0.0960 0.1917 -0.0033 0.0124 0.0431 76 TRP A CE2 1074 C CE3 . TRP A 76 ? 0.1239 0.1194 0.1522 -0.0276 -0.0103 0.0453 76 TRP A CE3 1075 C CZ2 . TRP A 76 ? 0.1270 0.1223 0.2177 -0.0028 -0.0030 0.0733 76 TRP A CZ2 1076 C CZ3 . TRP A 76 ? 0.1191 0.1350 0.1667 -0.0311 -0.0111 0.0498 76 TRP A CZ3 1077 C CH2 . TRP A 76 ? 0.1150 0.1429 0.2347 -0.0191 -0.0296 0.0689 76 TRP A CH2 1088 N N . ALA A 77 ? 0.0945 0.0873 0.1249 -0.0161 -0.0069 0.0208 77 ALA A N 1089 C CA . ALA A 77 ? 0.0897 0.0996 0.1255 -0.0153 -0.0017 0.0281 77 ALA A CA 1090 C C . ALA A 77 ? 0.0987 0.0897 0.1004 -0.0086 0.0003 0.0167 77 ALA A C 1091 O O . ALA A 77 ? 0.0905 0.0986 0.1134 -0.0163 -0.0043 0.0189 77 ALA A O 1092 C CB . ALA A 77 ? 0.0963 0.0918 0.1373 -0.0027 -0.0030 0.0195 77 ALA A CB 1098 N N . ASP A 78 ? 0.0879 0.0830 0.1133 -0.0155 -0.0028 0.0200 78 ASP A N 1099 C CA . ASP A 78 ? 0.0898 0.0919 0.0980 -0.0098 0.0021 0.0154 78 ASP A CA 1100 C C . ASP A 78 ? 0.0806 0.0936 0.1025 -0.0062 -0.0074 0.0141 78 ASP A C 1101 O O . ASP A 78 ? 0.0920 0.0965 0.1006 -0.0211 0.0056 0.0016 78 ASP A O 1102 C CB . ASP A 78 ? 0.0772 0.0880 0.1025 -0.0054 0.0008 0.0032 78 ASP A CB 1103 C CG . ASP A 78 ? 0.0728 0.0851 0.1107 -0.0085 -0.0008 0.0009 78 ASP A CG 1104 O OD1 . ASP A 78 ? 0.0823 0.1007 0.0979 -0.0093 0.0017 0.0086 78 ASP A OD1 1105 O OD2 . ASP A 78 ? 0.0853 0.0916 0.1112 -0.0119 -0.0113 0.0114 78 ASP A OD2 1110 N N . GLY A 79 ? 0.0823 0.0871 0.1068 -0.0082 -0.0013 0.0098 79 GLY A N 1111 C CA . GLY A 79 ? 0.0843 0.1068 0.0916 -0.0093 -0.0037 0.0051 79 GLY A CA 1112 C C . GLY A 79 ? 0.0903 0.1015 0.0889 -0.0192 0.0047 0.0029 79 GLY A C 1113 O O . GLY A 79 ? 0.1051 0.1176 0.0893 -0.0018 0.0038 -0.0030 79 GLY A O 1117 N N . PRO A 80 ? 0.0702 0.1043 0.0871 -0.0071 0.0049 0.0032 80 PRO A N 1118 C CA . PRO A 80 ? 0.0770 0.0969 0.0949 -0.0076 0.0035 0.0030 80 PRO A CA 1119 C C . PRO A 80 ? 0.0697 0.1043 0.1048 -0.0136 0.0000 0.0045 80 PRO A C 1120 O O . PRO A 80 ? 0.0750 0.1070 0.1220 -0.0112 -0.0014 -0.0024 80 PRO A O 1121 C CB . PRO A 80 ? 0.0740 0.0932 0.1170 -0.0081 0.0071 0.0013 80 PRO A CB 1122 C CG . PRO A 80 ? 0.0812 0.0928 0.0971 -0.0137 -0.0062 0.0000 80 PRO A CG 1123 C CD . PRO A 80 ? 0.0845 0.0975 0.0958 -0.0039 0.0000 0.0052 80 PRO A CD 1131 N N . ALA A 81 ? 0.0728 0.1204 0.1161 -0.0213 0.0059 -0.0149 81 ALA A N 1132 C CA . ALA A 81 ? 0.0787 0.1430 0.1162 -0.0236 0.0100 -0.0076 81 ALA A CA 1133 C C . ALA A 81 ? 0.0891 0.1173 0.1047 -0.0099 0.0091 -0.0045 81 ALA A C 1134 O O . ALA A 81 ? 0.1027 0.1131 0.1257 -0.0096 0.0094 0.0056 81 ALA A O 1135 C CB . ALA A 81 ? 0.0925 0.1735 0.1409 -0.0247 0.0292 -0.0353 81 ALA A CB 1141 N N . PHE A 82 ? 0.0809 0.1081 0.1196 -0.0092 0.0052 0.0034 82 PHE A N 1142 C CA . PHE A 82 ? 0.0539 0.1247 0.1469 -0.0072 0.0109 0.0078 82 PHE A CA 1143 C C . PHE A 82 ? 0.0774 0.1077 0.1224 -0.0160 -0.0019 0.0020 82 PHE A C 1144 O O . PHE A 82 ? 0.0756 0.1408 0.1336 -0.0117 -0.0021 -0.0124 82 PHE A O 1145 C CB . PHE A 82 ? 0.0816 0.1399 0.1245 0.0043 0.0018 0.0004 82 PHE A CB 1146 C CG . PHE A 82 ? 0.0796 0.1925 0.1304 0.0272 -0.0008 0.0011 82 PHE A CG 1147 C CD1 . PHE A 82 ? 0.1157 0.2295 0.1474 0.0253 0.0058 0.0136 82 PHE A CD1 1148 C CD2 . PHE A 82 ? 0.1005 0.1950 0.1539 0.0313 -0.0160 -0.0189 82 PHE A CD2 1149 C CE1 . PHE A 82 ? 0.1281 0.2497 0.1589 0.0358 0.0307 0.0287 82 PHE A CE1 1150 C CE2 . PHE A 82 ? 0.1127 0.2099 0.1693 0.0185 -0.0015 -0.0360 82 PHE A CE2 1151 C CZ . PHE A 82 ? 0.1196 0.2634 0.1542 0.0409 -0.0017 -0.0111 82 PHE A CZ 1161 N N . VAL A 83 ? 0.0731 0.1041 0.1173 -0.0082 0.0000 0.0080 83 VAL A N 1162 C CA . VAL A 83 ? 0.0780 0.1067 0.1177 -0.0200 -0.0022 0.0012 83 VAL A CA 1163 C C . VAL A 83 ? 0.0687 0.1041 0.1261 -0.0171 0.0041 0.0076 83 VAL A C 1164 O O . VAL A 83 ? 0.0878 0.1051 0.1425 -0.0216 -0.0112 0.0048 83 VAL A O 1165 C CB . VAL A 83 ? 0.0675 0.1037 0.1234 -0.0135 -0.0035 0.0051 83 VAL A CB 1166 C CG1 . VAL A 83 ? 0.0788 0.1065 0.1335 -0.0093 0.0064 0.0057 83 VAL A CG1 1167 C CG2 . VAL A 83 ? 0.1009 0.1050 0.1272 -0.0108 -0.0118 0.0125 83 VAL A CG2 1177 N N . THR A 84 ? 0.0709 0.0973 0.1126 -0.0136 -0.0067 0.0035 84 THR A N 1178 C CA . THR A 84 ? 0.0784 0.0971 0.1162 -0.0131 -0.0069 0.0021 84 THR A CA 1179 C C . THR A 84 ? 0.0826 0.1020 0.1209 -0.0181 -0.0008 0.0060 84 THR A C 1180 O O . THR A 84 ? 0.1226 0.0985 0.1369 -0.0101 0.0045 0.0157 84 THR A O 1181 C CB . THR A 84 ? 0.0884 0.0936 0.1189 -0.0085 -0.0020 0.0023 84 THR A CB 1182 O OG1 . THR A 84 ? 0.0811 0.1101 0.1149 -0.0222 -0.0022 0.0063 84 THR A OG1 1183 C CG2 . THR A 84 ? 0.0869 0.1007 0.1192 -0.0150 0.0059 0.0078 84 THR A CG2 1190 N N . GLN A 85 ? 0.0855 0.1130 0.1093 -0.0173 0.0037 0.0106 85 GLN A N 1191 C CA . GLN A 85 ? 0.0928 0.1237 0.1134 -0.0159 -0.0007 0.0180 85 GLN A CA 1192 C C . GLN A 85 ? 0.0900 0.1242 0.1214 -0.0225 0.0099 0.0122 85 GLN A C 1193 O O . GLN A 85 ? 0.0934 0.1249 0.1234 -0.0095 0.0058 0.0160 85 GLN A O 1194 C CB . GLN A 85 ? 0.0946 0.1189 0.1099 -0.0124 -0.0003 0.0160 85 GLN A CB 1195 C CG . GLN A 85 ? 0.0865 0.1144 0.1146 -0.0163 0.0034 0.0183 85 GLN A CG 1196 C CD . GLN A 85 ? 0.0897 0.1210 0.1174 -0.0191 0.0001 0.0216 85 GLN A CD 1197 O OE1 . GLN A 85 ? 0.0905 0.1245 0.1182 -0.0113 -0.0009 0.0156 85 GLN A OE1 1198 N NE2 . GLN A 85 ? 0.1005 0.1500 0.1064 -0.0232 -0.0029 0.0194 85 GLN A NE2 1207 N N . CYS A 86 ? 0.0999 0.1324 0.1175 -0.0265 0.0080 0.0124 86 CYS A N 1208 C CA . CYS A 86 ? 0.0998 0.1391 0.1217 -0.0195 0.0141 0.0124 86 CYS A CA 1209 C C . CYS A 86 ? 0.0913 0.1269 0.1219 -0.0207 0.0077 0.0170 86 CYS A C 1210 O O . CYS A 86 ? 0.1022 0.1359 0.1154 -0.0188 0.0044 0.0127 86 CYS A O 1211 C CB . CYS A 86 ? 0.1009 0.1806 0.1405 -0.0378 0.0204 0.0055 86 CYS A CB 1212 S SG . CYS A 86 ? 0.0978 0.2805 0.1769 -0.0472 0.0195 0.0196 86 CYS A SG 1217 N N . PRO A 87 ? 0.0994 0.1512 0.1115 -0.0160 0.0094 -0.0009 87 PRO A N 1218 C CA . PRO A 87 ? 0.1138 0.1336 0.1172 -0.0206 0.0033 0.0180 87 PRO A CA 1219 C C . PRO A 87 ? 0.1134 0.1339 0.1104 -0.0213 0.0191 0.0136 87 PRO A C 1220 O O . PRO A 87 ? 0.1169 0.1500 0.1197 -0.0260 0.0187 0.0260 87 PRO A O 1221 C CB . PRO A 87 ? 0.1184 0.1406 0.1245 -0.0118 0.0057 0.0121 87 PRO A CB 1222 C CG . PRO A 87 ? 0.1561 0.1491 0.1304 0.0060 -0.0110 -0.0006 87 PRO A CG 1223 C CD . PRO A 87 ? 0.1256 0.1453 0.1318 0.0034 0.0047 0.0028 87 PRO A CD 1231 N N . ILE A 88 ? 0.1150 0.1304 0.0996 -0.0356 0.0137 0.0167 88 ILE A N 1232 C CA . ILE A 88 ? 0.1218 0.1403 0.0905 -0.0314 0.0126 0.0148 88 ILE A CA 1233 C C . ILE A 88 ? 0.1120 0.1484 0.1001 -0.0267 0.0066 0.0235 88 ILE A C 1234 O O . ILE A 88 ? 0.1255 0.1356 0.1055 -0.0238 0.0214 0.0094 88 ILE A O 1235 C CB . ILE A 88 ? 0.1229 0.1353 0.1106 -0.0169 0.0119 0.0154 88 ILE A CB 1236 C CG1 . ILE A 88 ? 0.1385 0.1416 0.1195 -0.0024 0.0134 0.0275 88 ILE A CG1 1237 C CG2 . ILE A 88 ? 0.1339 0.1498 0.1112 -0.0173 0.0130 0.0103 88 ILE A CG2 1238 C CD1 . ILE A 88 ? 0.1341 0.1513 0.1688 -0.0048 0.0395 0.0336 88 ILE A CD1 1250 N N . ILE A 89 ? 0.1349 0.1378 0.1058 -0.0247 0.0238 0.0148 89 ILE A N 1251 C CA . ILE A 89 ? 0.1420 0.1657 0.1016 -0.0361 0.0167 0.0179 89 ILE A CA 1252 C C . ILE A 89 ? 0.1503 0.1448 0.1056 -0.0311 0.0262 0.0192 89 ILE A C 1253 O O . ILE A 89 ? 0.1447 0.1562 0.1091 -0.0234 0.0265 0.0201 89 ILE A O 1254 C CB . ILE A 89 ? 0.1342 0.1971 0.1347 -0.0395 0.0343 0.0159 89 ILE A CB 1255 C CG1 . ILE A 89 ? 0.1710 0.1957 0.1463 -0.0426 0.0487 0.0212 89 ILE A CG1 1256 C CG2 . ILE A 89 ? 0.1210 0.2406 0.1598 -0.0207 0.0183 0.0133 89 ILE A CG2 1257 C CD1 . ILE A 89 ? 0.2194 0.2596 0.1990 -0.0808 0.0814 0.0319 89 ILE A CD1 1269 N N . THR A 90 ? 0.1281 0.1649 0.1071 -0.0340 0.0240 0.0187 90 THR A N 1270 C CA . THR A 90 ? 0.1423 0.1720 0.1039 -0.0197 0.0220 0.0217 90 THR A CA 1271 C C . THR A 90 ? 0.1386 0.1625 0.1016 -0.0147 0.0335 0.0195 90 THR A C 1272 O O . THR A 90 ? 0.1508 0.1837 0.1200 -0.0284 0.0367 0.0370 90 THR A O 1273 C CB . THR A 90 ? 0.1615 0.1820 0.1015 -0.0212 0.0119 0.0157 90 THR A CB 1274 O OG1 . THR A 90 ? 0.1754 0.1897 0.1210 -0.0316 -0.0039 0.0219 90 THR A OG1 1275 C CG2 . THR A 90 ? 0.1613 0.2171 0.1280 0.0066 0.0100 -0.0152 90 THR A CG2 1282 N N . GLY A 91 ? 0.1453 0.1744 0.1011 -0.0317 0.0218 0.0230 91 GLY A N 1283 C CA . GLY A 91 ? 0.1746 0.2231 0.1036 -0.0215 0.0187 0.0410 91 GLY A CA 1284 C C . GLY A 91 ? 0.1738 0.1978 0.1154 -0.0272 0.0177 0.0477 91 GLY A C 1285 O O . GLY A 91 ? 0.2847 0.2033 0.1318 -0.0027 0.0245 0.0613 91 GLY A O 1289 N N . GLN A 92 ? 0.1722 0.1702 0.1127 -0.0244 0.0287 0.0378 92 GLN A N 1290 C CA . GLN A 92 ? 0.1566 0.1725 0.1215 -0.0087 0.0252 0.0518 92 GLN A CA 1291 C C . GLN A 92 ? 0.1518 0.1454 0.1286 -0.0238 0.0234 0.0356 92 GLN A C 1292 O O . GLN A 92 ? 0.1635 0.1466 0.1344 -0.0254 0.0308 0.0337 92 GLN A O 1293 C CB . GLN A 92 ? 0.1536 0.1827 0.1615 -0.0106 0.0236 0.0443 92 GLN A CB 1294 C CG . GLN A 92 ? 0.1923 0.2719 0.1911 -0.0786 0.0340 0.0565 92 GLN A CG 1295 C CD A GLN A 92 ? 0.1636 0.2350 0.1735 -0.0443 0.0192 0.0989 92 GLN A CD 1296 C CD B GLN A 92 ? 0.2184 0.2222 0.2964 -0.0357 0.1103 0.0662 92 GLN A CD 1297 O OE1 A GLN A 92 ? 0.1556 0.2882 0.1578 0.0010 0.0219 0.1083 92 GLN A OE1 1298 O OE1 B GLN A 92 ? 0.2308 0.2831 0.4712 0.0328 0.1657 0.1056 92 GLN A OE1 1299 N NE2 A GLN A 92 ? 0.1630 0.3411 0.1905 -0.0828 0.0265 0.0903 92 GLN A NE2 1300 N NE2 B GLN A 92 ? 0.4994 0.3099 0.2464 -0.0530 0.1213 0.0899 92 GLN A NE2 1305 N N . SER A 93 ? 0.1890 0.1489 0.1562 -0.0311 0.0452 0.0344 93 SER A N 1306 C CA . SER A 93 ? 0.1518 0.1387 0.1569 -0.0178 0.0324 0.0231 93 SER A CA 1307 C C . SER A 93 ? 0.1553 0.1330 0.1563 -0.0145 0.0198 0.0114 93 SER A C 1308 O O . SER A 93 ? 0.1634 0.1507 0.1890 -0.0350 0.0260 0.0087 93 SER A O 1309 C CB . SER A 93 ? 0.1964 0.1658 0.1586 -0.0015 0.0311 0.0352 93 SER A CB 1310 O OG . SER A 93 ? 0.2332 0.1856 0.2222 -0.0224 0.0008 0.0692 93 SER A OG 1315 N N . PHE A 94 ? 0.1448 0.1455 0.1492 -0.0145 0.0166 0.0250 94 PHE A N 1316 C CA . PHE A 94 ? 0.1468 0.1198 0.1582 -0.0173 0.0020 0.0227 94 PHE A CA 1317 C C . PHE A 94 ? 0.1306 0.1317 0.1305 -0.0179 -0.0177 0.0189 94 PHE A C 1318 O O . PHE A 94 ? 0.1274 0.1319 0.1492 -0.0175 -0.0003 0.0192 94 PHE A O 1319 C CB . PHE A 94 ? 0.1343 0.1419 0.1651 -0.0191 0.0183 0.0366 94 PHE A CB 1320 C CG . PHE A 94 ? 0.1303 0.1259 0.1671 -0.0095 0.0065 0.0321 94 PHE A CG 1321 C CD1 . PHE A 94 ? 0.1491 0.1407 0.1593 -0.0253 0.0037 0.0398 94 PHE A CD1 1322 C CD2 . PHE A 94 ? 0.1517 0.1675 0.1749 -0.0557 -0.0120 0.0572 94 PHE A CD2 1323 C CE1 . PHE A 94 ? 0.1535 0.1566 0.1518 -0.0215 -0.0036 0.0361 94 PHE A CE1 1324 C CE2 . PHE A 94 ? 0.1535 0.2140 0.1554 -0.0597 0.0103 0.0376 94 PHE A CE2 1325 C CZ . PHE A 94 ? 0.1552 0.1886 0.1543 -0.0497 -0.0001 0.0357 94 PHE A CZ 1335 N N . ASP A 95 ? 0.1606 0.1328 0.1388 -0.0139 0.0006 0.0392 95 ASP A N 1336 C CA . ASP A 95 ? 0.1498 0.1354 0.1451 0.0119 0.0142 0.0484 95 ASP A CA 1337 C C . ASP A 95 ? 0.1429 0.1272 0.1387 -0.0132 -0.0049 0.0240 95 ASP A C 1338 O O . ASP A 95 ? 0.2034 0.1568 0.1528 -0.0633 -0.0058 0.0237 95 ASP A O 1339 C CB . ASP A 95 ? 0.1813 0.1451 0.1923 0.0225 0.0345 0.0509 95 ASP A CB 1340 C CG A ASP A 95 ? 0.1796 0.1544 0.2609 0.0094 0.0101 0.0648 95 ASP A CG 1341 C CG B ASP A 95 ? 0.2149 0.1960 0.1910 0.0523 0.0377 0.1321 95 ASP A CG 1342 O OD1 A ASP A 95 ? 0.1536 0.1731 0.2543 0.0295 0.0212 0.0794 95 ASP A OD1 1343 O OD1 B ASP A 95 ? 0.3449 0.3278 0.2067 0.0477 -0.0295 0.0034 95 ASP A OD1 1344 O OD2 A ASP A 95 ? 0.1952 0.1699 0.2922 0.0382 -0.0117 0.0603 95 ASP A OD2 1345 O OD2 B ASP A 95 ? 0.1992 0.3672 0.3850 0.1268 0.0830 0.0759 95 ASP A OD2 1348 N N . TYR A 96 ? 0.1208 0.1140 0.1276 0.0060 0.0025 0.0224 96 TYR A N 1349 C CA . TYR A 96 ? 0.1150 0.1223 0.1268 0.0016 -0.0007 0.0289 96 TYR A CA 1350 C C . TYR A 96 ? 0.1130 0.1168 0.1295 0.0008 0.0041 0.0284 96 TYR A C 1351 O O . TYR A 96 ? 0.1171 0.1350 0.1500 0.0140 -0.0111 0.0156 96 TYR A O 1352 C CB . TYR A 96 ? 0.1101 0.1236 0.1333 0.0028 -0.0028 0.0269 96 TYR A CB 1353 C CG . TYR A 96 ? 0.1039 0.1051 0.1143 -0.0127 -0.0027 0.0260 96 TYR A CG 1354 C CD1 . TYR A 96 ? 0.0860 0.1060 0.1148 -0.0166 -0.0031 0.0249 96 TYR A CD1 1355 C CD2 . TYR A 96 ? 0.0988 0.1221 0.1036 -0.0125 -0.0085 0.0257 96 TYR A CD2 1356 C CE1 . TYR A 96 ? 0.0969 0.1093 0.1012 -0.0108 -0.0060 0.0148 96 TYR A CE1 1357 C CE2 . TYR A 96 ? 0.1026 0.1062 0.1096 -0.0123 0.0040 0.0209 96 TYR A CE2 1358 C CZ . TYR A 96 ? 0.0827 0.1043 0.1157 -0.0068 0.0064 0.0309 96 TYR A CZ 1359 O OH . TYR A 96 ? 0.1021 0.1137 0.1059 -0.0031 0.0042 0.0217 96 TYR A OH 1368 N N . ASN A 97 ? 0.1242 0.1126 0.1492 -0.0001 -0.0093 0.0209 97 ASN A N 1369 C CA . ASN A 97 ? 0.1234 0.1035 0.1659 0.0012 0.0041 0.0226 97 ASN A CA 1370 C C . ASN A 97 ? 0.1036 0.1135 0.1605 0.0121 -0.0105 0.0139 97 ASN A C 1371 O O . ASN A 97 ? 0.1176 0.1420 0.1825 -0.0109 0.0034 0.0041 97 ASN A O 1372 C CB . ASN A 97 ? 0.1416 0.1238 0.1958 0.0031 0.0048 0.0392 97 ASN A CB 1373 C CG . ASN A 97 ? 0.1705 0.1514 0.2085 0.0122 0.0085 0.0496 97 ASN A CG 1374 O OD1 . ASN A 97 ? 0.1766 0.1353 0.2644 0.0209 0.0365 0.0331 97 ASN A OD1 1375 N ND2 . ASN A 97 ? 0.1942 0.1923 0.2751 0.0325 0.0065 0.1038 97 ASN A ND2 1382 N N . PHE A 98 ? 0.1227 0.1018 0.1425 -0.0003 0.0007 0.0185 98 PHE A N 1383 C CA . PHE A 98 ? 0.1040 0.1021 0.1425 0.0031 -0.0074 0.0052 98 PHE A CA 1384 C C . PHE A 98 ? 0.0951 0.0976 0.1567 0.0130 -0.0051 0.0178 98 PHE A C 1385 O O . PHE A 98 ? 0.1110 0.1409 0.1628 0.0181 -0.0153 0.0079 98 PHE A O 1386 C CB . PHE A 98 ? 0.1139 0.1049 0.1393 0.0095 -0.0077 0.0154 98 PHE A CB 1387 C CG . PHE A 98 ? 0.0958 0.1011 0.1416 0.0042 -0.0056 0.0153 98 PHE A CG 1388 C CD1 . PHE A 98 ? 0.1112 0.1244 0.1434 0.0028 0.0164 0.0037 98 PHE A CD1 1389 C CD2 . PHE A 98 ? 0.1053 0.1079 0.1251 0.0057 -0.0045 0.0218 98 PHE A CD2 1390 C CE1 . PHE A 98 ? 0.1010 0.1256 0.1543 -0.0020 0.0151 0.0033 98 PHE A CE1 1391 C CE2 . PHE A 98 ? 0.1132 0.1162 0.1385 0.0013 -0.0114 0.0043 98 PHE A CE2 1392 C CZ . PHE A 98 ? 0.1311 0.0997 0.1452 0.0070 -0.0092 0.0030 98 PHE A CZ 1402 N N . ASN A 99 ? 0.1057 0.1055 0.1418 0.0154 -0.0124 0.0000 99 ASN A N 1403 C CA . ASN A 99 ? 0.1157 0.1080 0.1568 0.0225 -0.0162 -0.0039 99 ASN A CA 1404 C C . ASN A 99 ? 0.1027 0.1072 0.1493 0.0196 -0.0027 -0.0053 99 ASN A C 1405 O O . ASN A 99 ? 0.1214 0.1032 0.1506 0.0052 -0.0079 0.0090 99 ASN A O 1406 C CB . ASN A 99 ? 0.1683 0.0998 0.1780 0.0219 -0.0154 0.0063 99 ASN A CB 1407 C CG . ASN A 99 ? 0.2550 0.0962 0.2155 0.0370 -0.0397 0.0048 99 ASN A CG 1408 O OD1 . ASN A 99 ? 0.2942 0.1357 0.2137 -0.0026 -0.0420 0.0263 99 ASN A OD1 1409 N ND2 . ASN A 99 ? 0.3099 0.1707 0.3450 -0.0215 -0.0443 0.0932 99 ASN A ND2 1416 N N . VAL A 100 ? 0.1087 0.1081 0.1759 0.0127 0.0012 -0.0067 100 VAL A N 1417 C CA . VAL A 100 ? 0.1194 0.1008 0.1649 0.0115 0.0142 -0.0155 100 VAL A CA 1418 C C . VAL A 100 ? 0.1189 0.1261 0.1794 0.0106 0.0232 -0.0246 100 VAL A C 1419 O O . VAL A 100 ? 0.1209 0.1502 0.2274 -0.0048 0.0362 -0.0631 100 VAL A O 1420 C CB . VAL A 100 ? 0.0997 0.1100 0.1791 -0.0001 0.0169 -0.0216 100 VAL A CB 1421 C CG1 . VAL A 100 ? 0.1240 0.1202 0.1937 0.0036 0.0108 -0.0384 100 VAL A CG1 1422 C CG2 . VAL A 100 ? 0.1182 0.1373 0.2262 -0.0049 0.0099 -0.0162 100 VAL A CG2 1432 N N . PRO A 101 ? 0.1280 0.0955 0.1619 0.0048 0.0107 -0.0127 101 PRO A N 1433 C CA . PRO A 101 ? 0.1153 0.1005 0.1613 0.0071 -0.0026 -0.0195 101 PRO A CA 1434 C C . PRO A 101 ? 0.1377 0.0895 0.1685 0.0283 0.0053 -0.0288 101 PRO A C 1435 O O . PRO A 101 ? 0.1270 0.0985 0.1838 0.0084 0.0079 -0.0016 101 PRO A O 1436 C CB . PRO A 101 ? 0.1415 0.1015 0.1646 0.0081 -0.0065 -0.0135 101 PRO A CB 1437 C CG . PRO A 101 ? 0.1428 0.1053 0.1710 -0.0059 0.0041 -0.0077 101 PRO A CG 1438 C CD . PRO A 101 ? 0.1371 0.0944 0.1620 0.0142 -0.0087 -0.0094 101 PRO A CD 1446 N N . GLY A 102 ? 0.1110 0.1027 0.1647 0.0170 0.0066 -0.0242 102 GLY A N 1447 C CA . GLY A 102 ? 0.1150 0.1161 0.1574 0.0183 0.0075 -0.0237 102 GLY A CA 1448 C C . GLY A 102 ? 0.0894 0.1163 0.1502 -0.0037 0.0015 -0.0080 102 GLY A C 1449 O O . GLY A 102 ? 0.2059 0.1416 0.1497 0.0220 -0.0018 -0.0006 102 GLY A O 1453 N N . GLN A 103 ? 0.0819 0.0974 0.1312 0.0123 -0.0011 -0.0072 103 GLN A N 1454 C CA . GLN A 103 ? 0.0853 0.0884 0.1451 0.0157 -0.0012 -0.0030 103 GLN A CA 1455 C C . GLN A 103 ? 0.0776 0.1026 0.1306 0.0196 0.0027 -0.0082 103 GLN A C 1456 O O . GLN A 103 ? 0.0929 0.1031 0.1392 0.0143 -0.0085 0.0052 103 GLN A O 1457 C CB . GLN A 103 ? 0.0721 0.0921 0.1407 0.0095 -0.0029 -0.0093 103 GLN A CB 1458 C CG . GLN A 103 ? 0.0839 0.0901 0.1325 0.0144 -0.0072 -0.0084 103 GLN A CG 1459 C CD . GLN A 103 ? 0.0736 0.0946 0.1272 0.0064 -0.0064 -0.0089 103 GLN A CD 1460 O OE1 . GLN A 103 ? 0.0772 0.0915 0.1378 0.0092 0.0026 0.0022 103 GLN A OE1 1461 N NE2 . GLN A 103 ? 0.0734 0.0885 0.1387 0.0091 -0.0012 -0.0053 103 GLN A NE2 1470 N N . ALA A 104 ? 0.0749 0.0990 0.1207 0.0067 -0.0006 -0.0044 104 ALA A N 1471 C CA . ALA A 104 ? 0.0705 0.0976 0.1404 0.0040 0.0004 -0.0085 104 ALA A CA 1472 C C . ALA A 104 ? 0.0680 0.0959 0.1136 0.0087 -0.0022 -0.0064 104 ALA A C 1473 O O . ALA A 104 ? 0.1207 0.1079 0.1118 0.0047 -0.0002 -0.0089 104 ALA A O 1474 C CB . ALA A 104 ? 0.0664 0.1214 0.1495 0.0085 -0.0074 -0.0070 104 ALA A CB 1480 N N . GLY A 105 ? 0.0734 0.0988 0.1086 0.0235 0.0006 -0.0101 105 GLY A N 1481 C CA . GLY A 105 ? 0.0856 0.0950 0.1049 0.0144 0.0020 -0.0003 105 GLY A CA 1482 C C . GLY A 105 ? 0.0643 0.0938 0.1052 0.0006 -0.0001 -0.0061 105 GLY A C 1483 O O . GLY A 105 ? 0.0750 0.1002 0.1058 0.0097 -0.0024 -0.0001 105 GLY A O 1487 N N . THR A 106 ? 0.0570 0.0935 0.0990 0.0070 0.0005 -0.0068 106 THR A N 1488 C CA . THR A 106 ? 0.0585 0.0894 0.0990 0.0055 0.0018 -0.0043 106 THR A CA 1489 C C . THR A 106 ? 0.0710 0.0804 0.0905 -0.0026 -0.0012 -0.0032 106 THR A C 1490 O O . THR A 106 ? 0.0622 0.0998 0.0913 0.0036 0.0039 0.0042 106 THR A O 1491 C CB . THR A 106 ? 0.0608 0.0953 0.1131 0.0012 -0.0022 -0.0036 106 THR A CB 1492 O OG1 . THR A 106 ? 0.0587 0.1153 0.1098 -0.0028 -0.0011 -0.0031 106 THR A OG1 1493 C CG2 . THR A 106 ? 0.0570 0.1147 0.1260 -0.0034 0.0048 -0.0147 106 THR A CG2 1500 N N . PHE A 107 ? 0.0667 0.0970 0.0877 0.0035 -0.0054 0.0010 107 PHE A N 1501 C CA . PHE A 107 ? 0.0703 0.1040 0.0848 0.0031 -0.0058 0.0005 107 PHE A CA 1502 C C . PHE A 107 ? 0.0596 0.0902 0.0905 -0.0008 -0.0071 0.0112 107 PHE A C 1503 O O . PHE A 107 ? 0.0642 0.0999 0.0949 -0.0015 0.0027 -0.0019 107 PHE A O 1504 C CB . PHE A 107 ? 0.0653 0.1044 0.0970 -0.0052 -0.0023 0.0099 107 PHE A CB 1505 C CG . PHE A 107 ? 0.0722 0.0809 0.0938 -0.0033 0.0022 0.0056 107 PHE A CG 1506 C CD1 . PHE A 107 ? 0.0706 0.0952 0.0968 -0.0049 0.0003 -0.0027 107 PHE A CD1 1507 C CD2 . PHE A 107 ? 0.0762 0.0956 0.1204 0.0027 -0.0031 0.0040 107 PHE A CD2 1508 C CE1 . PHE A 107 ? 0.0933 0.0907 0.1028 -0.0051 -0.0046 -0.0080 107 PHE A CE1 1509 C CE2 . PHE A 107 ? 0.0658 0.1089 0.1332 0.0036 0.0012 -0.0087 107 PHE A CE2 1510 C CZ . PHE A 107 ? 0.0931 0.0878 0.1148 -0.0022 0.0098 -0.0122 107 PHE A CZ 1520 N N . TRP A 108 ? 0.0606 0.0893 0.0832 -0.0017 0.0011 0.0037 108 TRP A N 1521 C CA . TRP A 108 ? 0.0603 0.0982 0.0864 -0.0028 -0.0036 -0.0038 108 TRP A CA 1522 C C . TRP A 108 ? 0.0779 0.0803 0.0806 -0.0001 -0.0085 0.0064 108 TRP A C 1523 O O . TRP A 108 ? 0.0766 0.1018 0.0836 -0.0204 -0.0015 -0.0012 108 TRP A O 1524 C CB . TRP A 108 ? 0.0622 0.0998 0.0870 -0.0118 -0.0027 0.0062 108 TRP A CB 1525 C CG . TRP A 108 ? 0.0663 0.0916 0.0824 -0.0045 0.0078 0.0119 108 TRP A CG 1526 C CD1 . TRP A 108 ? 0.0776 0.0878 0.0854 0.0012 0.0121 0.0068 108 TRP A CD1 1527 C CD2 . TRP A 108 ? 0.0700 0.0899 0.0807 -0.0157 -0.0019 0.0074 108 TRP A CD2 1528 N NE1 . TRP A 108 ? 0.0732 0.0916 0.0874 -0.0010 0.0054 0.0015 108 TRP A NE1 1529 C CE2 . TRP A 108 ? 0.0738 0.0872 0.0845 -0.0094 0.0068 0.0077 108 TRP A CE2 1530 C CE3 . TRP A 108 ? 0.0662 0.0938 0.0855 -0.0151 0.0034 0.0060 108 TRP A CE3 1531 C CZ2 . TRP A 108 ? 0.0770 0.0942 0.0896 -0.0011 0.0057 0.0081 108 TRP A CZ2 1532 C CZ3 . TRP A 108 ? 0.0923 0.0927 0.0817 -0.0023 0.0179 0.0056 108 TRP A CZ3 1533 C CH2 . TRP A 108 ? 0.0760 0.0990 0.0955 0.0012 0.0092 0.0098 108 TRP A CH2 1544 N N . TYR A 109 ? 0.0615 0.0936 0.0854 -0.0056 0.0024 -0.0025 109 TYR A N 1545 C CA . TYR A 109 ? 0.0686 0.0930 0.0894 -0.0042 0.0011 0.0065 109 TYR A CA 1546 C C . TYR A 109 ? 0.0627 0.0921 0.0697 -0.0032 0.0058 0.0143 109 TYR A C 1547 O O . TYR A 109 ? 0.0715 0.0937 0.0844 -0.0077 0.0025 0.0010 109 TYR A O 1548 C CB . TYR A 109 ? 0.0894 0.1004 0.0945 -0.0027 -0.0040 0.0049 109 TYR A CB 1549 C CG . TYR A 109 ? 0.0815 0.0976 0.0940 -0.0005 -0.0069 0.0103 109 TYR A CG 1550 C CD1 . TYR A 109 ? 0.0790 0.1114 0.0962 -0.0103 0.0045 0.0129 109 TYR A CD1 1551 C CD2 . TYR A 109 ? 0.0876 0.1188 0.0889 0.0066 0.0072 -0.0042 109 TYR A CD2 1552 C CE1 . TYR A 109 ? 0.0953 0.1177 0.0914 0.0019 0.0079 0.0035 109 TYR A CE1 1553 C CE2 . TYR A 109 ? 0.0857 0.1098 0.1006 -0.0007 -0.0030 0.0030 109 TYR A CE2 1554 C CZ . TYR A 109 ? 0.1001 0.1113 0.0878 0.0038 -0.0064 -0.0019 109 TYR A CZ 1555 O OH . TYR A 109 ? 0.1033 0.1320 0.0959 -0.0038 -0.0095 -0.0011 109 TYR A OH 1564 N N . HIS A 110 ? 0.0616 0.0959 0.0803 -0.0060 0.0031 0.0027 110 HIS A N 1565 C CA . HIS A 110 ? 0.0640 0.0917 0.0840 -0.0095 0.0089 0.0066 110 HIS A CA 1566 C C . HIS A 110 ? 0.0721 0.0826 0.0773 -0.0040 0.0029 0.0087 110 HIS A C 1567 O O . HIS A 110 ? 0.0706 0.0905 0.0935 -0.0081 0.0085 0.0043 110 HIS A O 1568 C CB . HIS A 110 ? 0.0793 0.0953 0.0816 -0.0086 0.0111 0.0041 110 HIS A CB 1569 C CG . HIS A 110 ? 0.0907 0.0806 0.0834 0.0000 0.0067 0.0115 110 HIS A CG 1570 N ND1 . HIS A 110 ? 0.0781 0.1103 0.0835 -0.0039 0.0112 0.0102 110 HIS A ND1 1571 C CD2 . HIS A 110 ? 0.0823 0.0870 0.0847 0.0046 0.0082 0.0044 110 HIS A CD2 1572 C CE1 . HIS A 110 ? 0.0785 0.1139 0.0809 -0.0037 0.0083 0.0071 110 HIS A CE1 1573 N NE2 . HIS A 110 ? 0.0944 0.0908 0.0836 -0.0002 0.0120 0.0078 110 HIS A NE2 1581 N N . SER A 111 ? 0.0689 0.1010 0.0787 -0.0092 0.0072 0.0009 111 SER A N 1582 C CA . SER A 111 ? 0.0772 0.0929 0.0778 -0.0113 0.0051 0.0015 111 SER A CA 1583 C C . SER A 111 ? 0.0678 0.0984 0.0761 -0.0020 0.0151 0.0034 111 SER A C 1584 O O . SER A 111 ? 0.0743 0.1031 0.0867 0.0028 0.0094 0.0090 111 SER A O 1585 C CB . SER A 111 ? 0.0707 0.1214 0.0887 -0.0093 0.0055 -0.0027 111 SER A CB 1586 O OG . SER A 111 ? 0.0810 0.1337 0.1013 -0.0184 0.0150 -0.0059 111 SER A OG 1591 N N . HIS A 112 ? 0.0711 0.0968 0.0825 -0.0025 0.0068 0.0079 112 HIS A N 1592 C CA . HIS A 112 ? 0.0845 0.1030 0.0813 -0.0207 0.0022 0.0057 112 HIS A CA 1593 C C . HIS A 112 ? 0.0859 0.0999 0.0948 -0.0065 0.0022 0.0036 112 HIS A C 1594 O O . HIS A 112 ? 0.0954 0.1271 0.1127 -0.0115 0.0066 -0.0208 112 HIS A O 1595 C CB . HIS A 112 ? 0.0852 0.1053 0.0874 -0.0128 -0.0012 -0.0024 112 HIS A CB 1596 C CG . HIS A 112 ? 0.0751 0.0934 0.0955 -0.0091 -0.0092 0.0030 112 HIS A CG 1597 N ND1 . HIS A 112 ? 0.0825 0.1220 0.1022 0.0075 -0.0032 0.0000 112 HIS A ND1 1598 C CD2 . HIS A 112 ? 0.0950 0.0963 0.0821 0.0047 0.0000 0.0027 112 HIS A CD2 1599 C CE1 . HIS A 112 ? 0.1081 0.1228 0.0907 0.0205 -0.0191 -0.0013 112 HIS A CE1 1600 N NE2 . HIS A 112 ? 0.1119 0.0884 0.0894 0.0082 -0.0006 0.0011 112 HIS A NE2 1608 N N . LEU A 113 ? 0.0824 0.1203 0.0988 -0.0151 0.0129 -0.0047 113 LEU A N 1609 C CA . LEU A 113 ? 0.0910 0.1209 0.1114 -0.0072 0.0112 -0.0027 113 LEU A CA 1610 C C . LEU A 113 ? 0.0801 0.1196 0.0984 -0.0092 0.0103 0.0068 113 LEU A C 1611 O O . LEU A 113 ? 0.0932 0.1191 0.1191 -0.0070 -0.0034 0.0032 113 LEU A O 1612 C CB . LEU A 113 ? 0.0968 0.1206 0.1189 -0.0076 0.0219 0.0038 113 LEU A CB 1613 C CG . LEU A 113 ? 0.1083 0.1286 0.1101 -0.0057 0.0205 0.0058 113 LEU A CG 1614 C CD1 . LEU A 113 ? 0.1084 0.1718 0.1469 -0.0292 0.0392 0.0020 113 LEU A CD1 1615 C CD2 . LEU A 113 ? 0.1297 0.1791 0.1284 0.0003 0.0384 0.0271 113 LEU A CD2 1627 N N . SER A 114 ? 0.0876 0.1259 0.1090 -0.0036 -0.0036 0.0056 114 SER A N 1628 C CA . SER A 114 ? 0.0826 0.1397 0.1199 -0.0023 -0.0012 0.0054 114 SER A CA 1629 C C . SER A 114 ? 0.1142 0.1404 0.0900 -0.0061 0.0018 0.0041 114 SER A C 1630 O O . SER A 114 ? 0.1361 0.1437 0.0972 -0.0166 0.0217 -0.0020 114 SER A O 1631 C CB . SER A 114 ? 0.0950 0.1380 0.1394 -0.0055 0.0131 -0.0036 114 SER A CB 1632 O OG . SER A 114 ? 0.1035 0.1548 0.1994 0.0122 0.0170 -0.0215 114 SER A OG 1637 N N . THR A 115 ? 0.1001 0.1302 0.0990 0.0009 0.0017 0.0008 115 THR A N 1638 C CA . THR A 115 ? 0.1106 0.1221 0.1056 -0.0035 -0.0048 0.0097 115 THR A CA 1639 C C . THR A 115 ? 0.0970 0.1242 0.0947 -0.0030 0.0186 0.0116 115 THR A C 1640 O O . THR A 115 ? 0.1078 0.1201 0.1141 -0.0070 0.0049 0.0128 115 THR A O 1641 C CB . THR A 115 ? 0.1008 0.1255 0.1193 0.0042 0.0007 0.0023 115 THR A CB 1642 O OG1 . THR A 115 ? 0.1253 0.1456 0.1373 0.0116 0.0050 -0.0189 115 THR A OG1 1643 C CG2 . THR A 115 ? 0.2038 0.1405 0.1309 0.0311 -0.0247 0.0194 115 THR A CG2 1650 N N . GLN A 116 ? 0.0942 0.1216 0.0854 -0.0064 0.0103 0.0077 116 GLN A N 1651 C CA . GLN A 116 ? 0.0889 0.1282 0.0762 -0.0095 0.0156 0.0025 116 GLN A CA 1652 C C . GLN A 116 ? 0.0915 0.1174 0.0739 -0.0044 0.0018 0.0123 116 GLN A C 1653 O O . GLN A 116 ? 0.0924 0.1241 0.0836 -0.0121 0.0117 0.0019 116 GLN A O 1654 C CB . GLN A 116 ? 0.0927 0.1310 0.0890 -0.0111 0.0177 0.0061 116 GLN A CB 1655 C CG . GLN A 116 ? 0.0971 0.1372 0.0890 -0.0144 0.0193 0.0052 116 GLN A CG 1656 C CD . GLN A 116 ? 0.1003 0.1347 0.0791 -0.0173 0.0113 0.0077 116 GLN A CD 1657 O OE1 . GLN A 116 ? 0.1157 0.1254 0.0988 -0.0086 0.0291 0.0105 116 GLN A OE1 1658 N NE2 . GLN A 116 ? 0.1070 0.1323 0.0928 -0.0020 0.0199 0.0126 116 GLN A NE2 1667 N N . TYR A 117 ? 0.0966 0.1129 0.0756 -0.0109 0.0087 -0.0003 117 TYR A N 1668 C CA . TYR A 117 ? 0.0866 0.1123 0.0867 -0.0100 0.0127 0.0001 117 TYR A CA 1669 C C . TYR A 117 ? 0.0905 0.1144 0.0709 -0.0077 0.0102 0.0006 117 TYR A C 1670 O O . TYR A 117 ? 0.0917 0.1171 0.0879 -0.0064 0.0086 -0.0055 117 TYR A O 1671 C CB . TYR A 117 ? 0.0896 0.1101 0.0850 0.0003 0.0062 -0.0030 117 TYR A CB 1672 C CG . TYR A 117 ? 0.0897 0.0913 0.0926 -0.0030 0.0022 0.0000 117 TYR A CG 1673 C CD1 . TYR A 117 ? 0.0846 0.1257 0.0863 -0.0158 -0.0022 -0.0073 117 TYR A CD1 1674 C CD2 . TYR A 117 ? 0.0970 0.1174 0.0967 -0.0069 0.0013 0.0003 117 TYR A CD2 1675 C CE1 . TYR A 117 ? 0.0977 0.1207 0.0919 -0.0217 0.0114 -0.0009 117 TYR A CE1 1676 C CE2 . TYR A 117 ? 0.0915 0.1168 0.0867 -0.0109 -0.0046 -0.0016 117 TYR A CE2 1677 C CZ . TYR A 117 ? 0.0917 0.1027 0.0789 -0.0035 0.0018 -0.0086 117 TYR A CZ 1678 O OH . TYR A 117 ? 0.1075 0.1063 0.0794 -0.0097 -0.0017 -0.0030 117 TYR A OH 1687 N N . CYS A 118 ? 0.0871 0.1176 0.0896 -0.0084 0.0118 0.0006 118 CYS A N 1688 C CA . CYS A 118 ? 0.1201 0.1003 0.0899 -0.0123 0.0125 -0.0023 118 CYS A CA 1689 C C . CYS A 118 ? 0.1011 0.1156 0.0950 -0.0118 0.0136 0.0013 118 CYS A C 1690 O O . CYS A 118 ? 0.1152 0.1278 0.0917 -0.0275 0.0248 -0.0129 118 CYS A O 1691 C CB . CYS A 118 ? 0.1146 0.1363 0.1095 0.0049 0.0188 -0.0002 118 CYS A CB 1692 S SG A CYS A 118 ? 0.0999 0.1252 0.0832 -0.0006 0.0059 0.0068 118 CYS A SG 1693 S SG B CYS A 118 ? 0.1904 0.1473 0.1729 -0.0022 0.0619 0.0010 118 CYS A SG 1694 S SG C CYS A 118 ? 0.2399 0.1749 0.2298 -0.0459 0.0080 0.0279 118 CYS A SG 1696 N N . ASP A 119 ? 0.1044 0.1208 0.0856 -0.0105 0.0140 -0.0013 119 ASP A N 1697 C CA . ASP A 119 ? 0.0970 0.1237 0.0880 -0.0113 0.0169 -0.0026 119 ASP A CA 1698 C C . ASP A 119 ? 0.1170 0.1136 0.0782 -0.0090 0.0198 0.0017 119 ASP A C 1699 O O . ASP A 119 ? 0.1161 0.1369 0.0791 0.0001 0.0093 -0.0036 119 ASP A O 1700 C CB . ASP A 119 ? 0.0944 0.1236 0.0922 -0.0073 0.0114 -0.0062 119 ASP A CB 1701 C CG . ASP A 119 ? 0.1025 0.1534 0.1002 -0.0033 0.0155 0.0074 119 ASP A CG 1702 O OD1 . ASP A 119 ? 0.1071 0.1450 0.1149 0.0019 0.0191 -0.0078 119 ASP A OD1 1703 O OD2 . ASP A 119 ? 0.1073 0.1741 0.1236 -0.0056 0.0206 0.0020 119 ASP A OD2 1708 N N . GLY A 120 ? 0.0986 0.1197 0.0875 -0.0067 0.0107 -0.0128 120 GLY A N 1709 C CA . GLY A 120 ? 0.1039 0.1166 0.0771 -0.0040 0.0105 0.0005 120 GLY A CA 1710 C C . GLY A 120 ? 0.0890 0.1083 0.0724 -0.0131 0.0107 0.0039 120 GLY A C 1711 O O . GLY A 120 ? 0.0853 0.1182 0.0833 -0.0090 0.0042 -0.0005 120 GLY A O 1715 N N . LEU A 121 ? 0.0889 0.1102 0.0699 -0.0076 0.0104 0.0008 121 LEU A N 1716 C CA . LEU A 121 ? 0.0884 0.1070 0.0756 -0.0101 -0.0009 0.0000 121 LEU A CA 1717 C C . LEU A 121 ? 0.0815 0.1003 0.0686 -0.0101 0.0031 0.0000 121 LEU A C 1718 O O . LEU A 121 ? 0.0871 0.1077 0.0739 -0.0051 0.0023 -0.0052 121 LEU A O 1719 C CB . LEU A 121 ? 0.0970 0.1139 0.0781 -0.0095 0.0108 0.0043 121 LEU A CB 1720 C CG . LEU A 121 ? 0.1130 0.1219 0.0779 -0.0203 -0.0017 0.0114 121 LEU A CG 1721 C CD1 . LEU A 121 ? 0.1092 0.1186 0.1084 -0.0245 0.0065 0.0152 121 LEU A CD1 1722 C CD2 . LEU A 121 ? 0.0999 0.1189 0.1017 -0.0080 -0.0002 0.0155 121 LEU A CD2 1734 N N . ARG A 122 ? 0.0790 0.1030 0.0686 -0.0029 0.0043 -0.0008 122 ARG A N 1735 C CA . ARG A 122 ? 0.1007 0.1125 0.0640 -0.0066 0.0107 0.0009 122 ARG A CA 1736 C C . ARG A 122 ? 0.0819 0.1109 0.0754 -0.0153 0.0033 -0.0035 122 ARG A C 1737 O O . ARG A 122 ? 0.0881 0.1261 0.0877 -0.0115 -0.0020 -0.0176 122 ARG A O 1738 C CB . ARG A 122 ? 0.1679 0.1818 0.1054 0.0681 0.0633 0.0526 122 ARG A CB 1739 C CG . ARG A 122 ? 0.1477 0.1045 0.1041 -0.0050 0.0334 0.0112 122 ARG A CG 1740 C CD . ARG A 122 ? 0.0894 0.1078 0.0757 -0.0028 0.0072 0.0034 122 ARG A CD 1741 N NE . ARG A 122 ? 0.0962 0.1027 0.0919 -0.0050 0.0256 0.0007 122 ARG A NE 1742 C CZ . ARG A 122 ? 0.0977 0.1078 0.0840 -0.0157 0.0107 -0.0008 122 ARG A CZ 1743 N NH1 . ARG A 122 ? 0.0961 0.1011 0.1018 -0.0007 0.0287 0.0114 122 ARG A NH1 1744 N NH2 . ARG A 122 ? 0.1092 0.1012 0.1074 -0.0107 0.0275 -0.0074 122 ARG A NH2 1758 N N . GLY A 123 ? 0.0713 0.1026 0.0852 -0.0122 0.0043 -0.0059 123 GLY A N 1759 C CA . GLY A 123 ? 0.0679 0.1181 0.0949 -0.0079 0.0023 -0.0085 123 GLY A CA 1760 C C . GLY A 123 ? 0.0760 0.1100 0.0810 -0.0132 -0.0007 -0.0031 123 GLY A C 1761 O O . GLY A 123 ? 0.0780 0.1111 0.0845 -0.0091 -0.0011 -0.0067 123 GLY A O 1765 N N . PRO A 124 ? 0.0729 0.1185 0.0994 -0.0065 0.0008 -0.0146 124 PRO A N 1766 C CA . PRO A 124 ? 0.0763 0.1221 0.1003 -0.0106 0.0066 -0.0069 124 PRO A CA 1767 C C . PRO A 124 ? 0.0570 0.1218 0.0966 0.0084 -0.0074 -0.0082 124 PRO A C 1768 O O . PRO A 124 ? 0.0898 0.1390 0.0887 0.0089 -0.0124 -0.0014 124 PRO A O 1769 C CB . PRO A 124 ? 0.0857 0.1552 0.1529 -0.0252 0.0233 -0.0402 124 PRO A CB 1770 C CG . PRO A 124 ? 0.0897 0.1694 0.1057 -0.0182 0.0029 -0.0001 124 PRO A CG 1771 C CD . PRO A 124 ? 0.0686 0.1317 0.1192 -0.0099 -0.0086 -0.0176 124 PRO A CD 1779 N N . PHE A 125 ? 0.0758 0.1035 0.0924 0.0068 -0.0018 0.0014 125 PHE A N 1780 C CA . PHE A 125 ? 0.0970 0.1006 0.0900 0.0068 -0.0099 0.0042 125 PHE A CA 1781 C C . PHE A 125 ? 0.0802 0.1042 0.0886 0.0061 -0.0090 0.0000 125 PHE A C 1782 O O . PHE A 125 ? 0.0855 0.1281 0.0950 0.0173 -0.0052 0.0033 125 PHE A O 1783 C CB . PHE A 125 ? 0.0912 0.1065 0.0984 0.0025 -0.0078 0.0045 125 PHE A CB 1784 C CG . PHE A 125 ? 0.0819 0.1086 0.1083 0.0097 -0.0047 0.0123 125 PHE A CG 1785 C CD1 . PHE A 125 ? 0.0935 0.1157 0.1168 0.0031 0.0019 0.0021 125 PHE A CD1 1786 C CD2 . PHE A 125 ? 0.0999 0.1157 0.1438 0.0023 0.0165 -0.0021 125 PHE A CD2 1787 C CE1 . PHE A 125 ? 0.1181 0.1239 0.1219 0.0036 0.0064 0.0247 125 PHE A CE1 1788 C CE2 . PHE A 125 ? 0.1138 0.1010 0.1772 0.0030 0.0109 -0.0062 125 PHE A CE2 1789 C CZ . PHE A 125 ? 0.1127 0.0987 0.1695 -0.0100 0.0070 0.0085 125 PHE A CZ 1799 N N . VAL A 126 ? 0.0873 0.0933 0.0975 0.0036 -0.0056 0.0044 126 VAL A N 1800 C CA . VAL A 126 ? 0.0816 0.1001 0.1069 0.0005 -0.0055 -0.0010 126 VAL A CA 1801 C C . VAL A 126 ? 0.0757 0.1132 0.1053 0.0128 -0.0089 0.0095 126 VAL A C 1802 O O . VAL A 126 ? 0.1139 0.1179 0.1087 0.0306 -0.0094 0.0101 126 VAL A O 1803 C CB . VAL A 126 ? 0.0812 0.1384 0.1096 -0.0023 -0.0049 0.0038 126 VAL A CB 1804 C CG1 . VAL A 126 ? 0.0795 0.1599 0.1328 -0.0003 0.0062 -0.0018 126 VAL A CG1 1805 C CG2 . VAL A 126 ? 0.1121 0.1325 0.1467 -0.0150 -0.0010 -0.0139 126 VAL A CG2 1815 N N . VAL A 127 ? 0.0833 0.1001 0.1120 0.0163 -0.0144 0.0048 127 VAL A N 1816 C CA . VAL A 127 ? 0.0910 0.1011 0.1126 0.0093 -0.0083 0.0088 127 VAL A CA 1817 C C . VAL A 127 ? 0.0858 0.0951 0.1322 0.0012 -0.0218 0.0005 127 VAL A C 1818 O O . VAL A 127 ? 0.0900 0.1113 0.1176 0.0221 -0.0106 -0.0039 127 VAL A O 1819 C CB . VAL A 127 ? 0.0981 0.0953 0.1222 0.0071 -0.0094 0.0058 127 VAL A CB 1820 C CG1 . VAL A 127 ? 0.1053 0.1069 0.1306 0.0057 0.0036 -0.0032 127 VAL A CG1 1821 C CG2 . VAL A 127 ? 0.0817 0.1058 0.1427 0.0031 -0.0041 0.0042 127 VAL A CG2 1831 N N . TYR A 128 ? 0.0904 0.1291 0.1512 0.0005 -0.0290 0.0200 128 TYR A N 1832 C CA . TYR A 128 ? 0.0876 0.1206 0.1862 0.0065 -0.0255 0.0172 128 TYR A CA 1833 C C . TYR A 128 ? 0.0798 0.1261 0.2069 0.0000 -0.0201 0.0304 128 TYR A C 1834 O O . TYR A 128 ? 0.1132 0.1195 0.2098 0.0012 0.0090 0.0060 128 TYR A O 1835 C CB . TYR A 128 ? 0.0936 0.1487 0.2090 0.0120 -0.0334 0.0293 128 TYR A CB 1836 C CG . TYR A 128 ? 0.1062 0.1402 0.2031 -0.0121 -0.0368 0.0122 128 TYR A CG 1837 C CD1 . TYR A 128 ? 0.0760 0.1575 0.1877 0.0002 -0.0168 0.0183 128 TYR A CD1 1838 C CD2 . TYR A 128 ? 0.1348 0.1600 0.1908 -0.0383 -0.0265 0.0355 128 TYR A CD2 1839 C CE1 . TYR A 128 ? 0.1140 0.1505 0.1703 -0.0063 -0.0130 0.0063 128 TYR A CE1 1840 C CE2 . TYR A 128 ? 0.1366 0.1940 0.1587 -0.0397 -0.0085 0.0130 128 TYR A CE2 1841 C CZ . TYR A 128 ? 0.1339 0.1502 0.1785 -0.0240 -0.0204 0.0047 128 TYR A CZ 1842 O OH . TYR A 128 ? 0.1490 0.1684 0.1601 -0.0185 -0.0044 -0.0131 128 TYR A OH 1851 N N . ASP A 129 ? 0.0820 0.1132 0.2305 0.0123 -0.0006 0.0132 129 ASP A N 1852 C CA . ASP A 129 ? 0.0811 0.1161 0.2387 0.0110 0.0096 0.0289 129 ASP A CA 1853 C C . ASP A 129 ? 0.0848 0.1296 0.3359 0.0188 -0.0093 0.0587 129 ASP A C 1854 O O . ASP A 129 ? 0.0686 0.1381 0.4024 0.0097 -0.0084 0.0715 129 ASP A O 1855 C CB . ASP A 129 ? 0.0676 0.1176 0.2356 0.0243 0.0141 0.0247 129 ASP A CB 1856 C CG . ASP A 129 ? 0.0945 0.1307 0.2702 0.0248 0.0206 0.0408 129 ASP A CG 1857 O OD1 . ASP A 129 ? 0.1180 0.1249 0.2742 0.0295 0.0428 0.0318 129 ASP A OD1 1858 O OD2 . ASP A 129 ? 0.1167 0.1321 0.2688 0.0414 0.0211 0.0204 129 ASP A OD2 1863 N N . PRO A 130 ? 0.1023 0.1337 0.3411 0.0201 -0.0279 0.0555 130 PRO A N 1864 C CA . PRO A 130 ? 0.1165 0.1477 0.3982 0.0329 -0.0450 0.0562 130 PRO A CA 1865 C C . PRO A 130 ? 0.0984 0.1425 0.4672 0.0485 0.0215 0.0726 130 PRO A C 1866 O O . PRO A 130 ? 0.0946 0.2278 0.6100 0.0470 -0.0104 0.0027 130 PRO A O 1867 C CB . PRO A 130 ? 0.1673 0.1726 0.4357 0.0456 -0.0482 0.0995 130 PRO A CB 1868 C CG . PRO A 130 ? 0.1682 0.1715 0.4465 0.0201 -0.0661 0.0898 130 PRO A CG 1869 C CD . PRO A 130 ? 0.1313 0.1242 0.3263 0.0220 -0.0253 0.0529 130 PRO A CD 1877 N N . ASN A 131 ? 0.1070 0.1318 0.4517 0.0545 0.0685 0.0662 131 ASN A N 1878 C CA . ASN A 131 ? 0.1441 0.1460 0.4918 0.0576 0.1238 0.0532 131 ASN A CA 1879 C C . ASN A 131 ? 0.1206 0.1408 0.3183 0.0120 0.0846 0.0134 131 ASN A C 1880 O O . ASN A 131 ? 0.1544 0.2209 0.4405 0.0493 -0.0401 -0.1105 131 ASN A O 1881 C CB . ASN A 131 ? 0.2871 0.1576 0.6094 0.0698 0.2585 0.0156 131 ASN A CB 1882 C CG A ASN A 131 ? 0.3980 0.1529 0.4374 0.0689 0.2279 -0.0242 131 ASN A CG 1883 C CG B ASN A 131 ? 0.1786 0.2893 0.4712 0.0381 0.2242 0.2257 131 ASN A CG 1890 N N . ASP A 132 ? 0.1432 0.1277 0.2484 0.0275 0.0573 0.0118 132 ASP A N 1891 C CA . ASP A 132 ? 0.0779 0.1348 0.2114 0.0028 0.0108 -0.0066 132 ASP A CA 1892 C C . ASP A 132 ? 0.0810 0.1404 0.1845 0.0291 0.0168 -0.0214 132 ASP A C 1893 O O . ASP A 132 ? 0.0797 0.1501 0.1747 0.0184 0.0167 -0.0085 132 ASP A O 1894 C CB . ASP A 132 ? 0.0944 0.1344 0.1681 0.0083 0.0118 -0.0083 132 ASP A CB 1895 C CG . ASP A 132 ? 0.0681 0.1227 0.1766 0.0043 0.0028 -0.0213 132 ASP A CG 1896 O OD1 . ASP A 132 ? 0.0833 0.1511 0.1522 0.0235 0.0018 -0.0022 132 ASP A OD1 1897 O OD2 . ASP A 132 ? 0.0929 0.1417 0.1590 0.0127 0.0069 -0.0113 132 ASP A OD2 1902 N N . PRO A 133 ? 0.0829 0.1722 0.1930 0.0108 0.0007 -0.0302 133 PRO A N 1903 C CA . PRO A 133 ? 0.1256 0.1635 0.1706 0.0351 -0.0119 -0.0317 133 PRO A CA 1904 C C . PRO A 133 ? 0.0930 0.1764 0.1665 0.0180 -0.0051 -0.0310 133 PRO A C 1905 O O . PRO A 133 ? 0.1151 0.2284 0.1890 0.0240 0.0256 -0.0392 133 PRO A O 1906 C CB . PRO A 133 ? 0.1595 0.1779 0.2162 -0.0006 -0.0491 -0.0240 133 PRO A CB 1907 C CG . PRO A 133 ? 0.1545 0.3258 0.2161 0.0744 -0.0484 -0.0553 133 PRO A CG 1908 C CD . PRO A 133 ? 0.0799 0.2042 0.2420 0.0211 -0.0150 -0.0565 133 PRO A CD 1916 N N . ASN A 134 ? 0.0800 0.1518 0.1597 0.0179 -0.0120 -0.0169 134 ASN A N 1917 C CA . ASN A 134 ? 0.0594 0.1404 0.1858 0.0089 0.0012 -0.0250 134 ASN A CA 1918 C C . ASN A 134 ? 0.0662 0.1521 0.1621 0.0193 0.0065 -0.0187 134 ASN A C 1919 O O . ASN A 134 ? 0.0689 0.1473 0.1667 0.0149 0.0015 -0.0226 134 ASN A O 1920 C CB . ASN A 134 ? 0.0634 0.1500 0.1812 0.0160 -0.0065 -0.0166 134 ASN A CB 1921 C CG . ASN A 134 ? 0.0831 0.1423 0.1830 0.0067 -0.0183 -0.0158 134 ASN A CG 1922 O OD1 . ASN A 134 ? 0.0913 0.1531 0.2526 0.0069 -0.0225 -0.0148 134 ASN A OD1 1923 N ND2 . ASN A 134 ? 0.0859 0.1833 0.1527 -0.0059 -0.0298 0.0145 134 ASN A ND2 1930 N N . ALA A 135 ? 0.0724 0.1552 0.1585 0.0076 -0.0044 -0.0115 135 ALA A N 1931 C CA . ALA A 135 ? 0.0777 0.1864 0.1725 0.0121 -0.0126 -0.0136 135 ALA A CA 1932 C C . ALA A 135 ? 0.0755 0.1510 0.1615 0.0047 -0.0118 -0.0140 135 ALA A C 1933 O O . ALA A 135 ? 0.0866 0.2041 0.1624 -0.0055 -0.0150 -0.0240 135 ALA A O 1934 C CB . ALA A 135 ? 0.1124 0.1985 0.1729 0.0025 -0.0217 0.0200 135 ALA A CB 1940 N N . SER A 136 ? 0.0634 0.1538 0.1622 0.0103 -0.0142 -0.0266 136 SER A N 1941 C CA . SER A 136 ? 0.0700 0.1499 0.1644 0.0244 -0.0030 -0.0166 136 SER A CA 1942 C C . SER A 136 ? 0.0816 0.1631 0.1439 0.0134 -0.0060 -0.0098 136 SER A C 1943 O O . SER A 136 ? 0.0665 0.1713 0.2150 0.0018 -0.0016 -0.0026 136 SER A O 1944 C CB . SER A 136 ? 0.1110 0.1907 0.2278 0.0245 0.0349 -0.0562 136 SER A CB 1945 O OG A SER A 136 ? 0.1627 0.3284 0.1648 -0.0072 0.0289 -0.0903 136 SER A OG 1946 O OG B SER A 136 ? 0.1331 0.2003 0.2920 0.0451 0.0186 -0.0683 136 SER A OG 1949 N N . LEU A 137 ? 0.0787 0.1406 0.1533 0.0041 -0.0047 -0.0217 137 LEU A N 1950 C CA . LEU A 137 ? 0.0946 0.1414 0.1445 0.0123 -0.0024 -0.0109 137 LEU A CA 1951 C C . LEU A 137 ? 0.0803 0.1387 0.1494 0.0114 -0.0093 -0.0092 137 LEU A C 1952 O O . LEU A 137 ? 0.1487 0.1386 0.1684 0.0035 -0.0088 -0.0069 137 LEU A O 1953 C CB . LEU A 137 ? 0.0921 0.1482 0.1429 0.0121 -0.0022 -0.0107 137 LEU A CB 1954 C CG . LEU A 137 ? 0.1050 0.1488 0.1572 0.0121 -0.0057 -0.0215 137 LEU A CG 1955 C CD1 . LEU A 137 ? 0.0838 0.1922 0.1742 0.0141 0.0076 -0.0129 137 LEU A CD1 1956 C CD2 . LEU A 137 ? 0.1036 0.2378 0.1564 0.0226 0.0098 -0.0175 137 LEU A CD2 1968 N N . TYR A 138 ? 0.0830 0.1332 0.1506 0.0053 0.0004 -0.0220 138 TYR A N 1969 C CA . TYR A 138 ? 0.0841 0.1504 0.1387 -0.0044 -0.0007 -0.0191 138 TYR A CA 1970 C C . TYR A 138 ? 0.0667 0.1397 0.1662 0.0108 -0.0030 -0.0154 138 TYR A C 1971 O O . TYR A 138 ? 0.0847 0.1548 0.1875 0.0127 -0.0118 -0.0302 138 TYR A O 1972 C CB . TYR A 138 ? 0.0970 0.1397 0.1592 0.0152 0.0004 -0.0227 138 TYR A CB 1973 C CG . TYR A 138 ? 0.0814 0.1463 0.1430 0.0274 -0.0015 -0.0210 138 TYR A CG 1974 C CD1 . TYR A 138 ? 0.0784 0.1640 0.1569 0.0122 -0.0176 -0.0176 138 TYR A CD1 1975 C CD2 . TYR A 138 ? 0.0749 0.1767 0.1457 0.0183 -0.0009 -0.0292 138 TYR A CD2 1976 C CE1 . TYR A 138 ? 0.0959 0.1555 0.1335 0.0132 -0.0018 -0.0082 138 TYR A CE1 1977 C CE2 . TYR A 138 ? 0.0727 0.1651 0.1464 0.0229 0.0002 -0.0276 138 TYR A CE2 1978 C CZ . TYR A 138 ? 0.0791 0.1410 0.1561 0.0211 -0.0178 -0.0216 138 TYR A CZ 1979 O OH . TYR A 138 ? 0.0830 0.1627 0.1995 0.0093 -0.0004 -0.0251 138 TYR A OH 1988 N N . ASP A 139 ? 0.0770 0.1573 0.1600 0.0127 -0.0082 -0.0270 139 ASP A N 1989 C CA . ASP A 139 ? 0.0760 0.1919 0.1533 0.0067 -0.0097 -0.0169 139 ASP A CA 1990 C C . ASP A 139 ? 0.0870 0.1839 0.1728 0.0163 -0.0110 0.0006 139 ASP A C 1991 O O . ASP A 139 ? 0.1719 0.2405 0.2368 0.0850 0.0587 0.0654 139 ASP A O 1992 C CB . ASP A 139 ? 0.0894 0.1934 0.1653 0.0059 -0.0111 -0.0172 139 ASP A CB 1993 C CG . ASP A 139 ? 0.0618 0.1728 0.2149 -0.0003 0.0011 0.0019 139 ASP A CG 1994 O OD1 . ASP A 139 ? 0.1113 0.1870 0.2632 0.0216 0.0509 -0.0234 139 ASP A OD1 1995 O OD2 . ASP A 139 ? 0.0825 0.1787 0.2088 0.0017 0.0067 -0.0267 139 ASP A OD2 2000 N N . VAL A 140 ? 0.0568 0.1750 0.1626 -0.0035 -0.0094 -0.0048 140 VAL A N 2001 C CA . VAL A 140 ? 0.0632 0.1765 0.1536 -0.0009 -0.0057 0.0005 140 VAL A CA 2002 C C . VAL A 140 ? 0.0793 0.1421 0.1413 0.0006 -0.0143 0.0013 140 VAL A C 2003 O O . VAL A 140 ? 0.0778 0.1521 0.1470 0.0014 -0.0076 0.0017 140 VAL A O 2004 C CB . VAL A 140 ? 0.0901 0.1758 0.1538 -0.0140 -0.0105 -0.0171 140 VAL A CB 2005 C CG1 . VAL A 140 ? 0.0981 0.2193 0.1556 0.0061 -0.0126 -0.0284 140 VAL A CG1 2006 C CG2 . VAL A 140 ? 0.0859 0.2799 0.1962 -0.0283 0.0082 -0.0670 140 VAL A CG2 2016 N N . ASP A 141 ? 0.0772 0.1532 0.1495 -0.0005 -0.0173 -0.0020 141 ASP A N 2017 C CA . ASP A 141 ? 0.0765 0.1365 0.1512 0.0060 -0.0040 -0.0017 141 ASP A CA 2018 C C . ASP A 141 ? 0.1008 0.1413 0.1404 -0.0084 -0.0162 0.0008 141 ASP A C 2019 O O . ASP A 141 ? 0.1393 0.1542 0.1794 0.0045 0.0283 0.0127 141 ASP A O 2020 C CB . ASP A 141 ? 0.0690 0.1429 0.1458 0.0005 -0.0049 0.0049 141 ASP A CB 2021 C CG . ASP A 141 ? 0.0809 0.1242 0.1527 0.0027 -0.0151 -0.0097 141 ASP A CG 2022 O OD1 . ASP A 141 ? 0.0713 0.1543 0.1479 0.0066 -0.0047 -0.0122 141 ASP A OD1 2023 O OD2 . ASP A 141 ? 0.0770 0.1517 0.1991 0.0089 -0.0128 -0.0242 141 ASP A OD2 2028 N N . ASP A 142 ? 0.0814 0.1551 0.1319 0.0073 -0.0095 -0.0053 142 ASP A N 2029 C CA . ASP A 142 ? 0.1057 0.1639 0.1365 0.0069 -0.0014 0.0142 142 ASP A CA 2030 C C . ASP A 142 ? 0.0925 0.1689 0.1167 -0.0049 -0.0144 -0.0042 142 ASP A C 2031 O O . ASP A 142 ? 0.0832 0.1713 0.1183 -0.0024 -0.0097 0.0040 142 ASP A O 2032 C CB . ASP A 142 ? 0.1082 0.2299 0.1724 0.0207 -0.0174 0.0212 142 ASP A CB 2033 C CG . ASP A 142 ? 0.1135 0.2499 0.1635 0.0151 -0.0365 0.0030 142 ASP A CG 2034 O OD1 . ASP A 142 ? 0.1014 0.2413 0.2201 -0.0033 -0.0287 -0.0200 142 ASP A OD1 2035 O OD2 . ASP A 142 ? 0.1156 0.3547 0.3503 0.0086 -0.0535 0.0351 142 ASP A OD2 2040 N N . ASP A 143 ? 0.1016 0.1776 0.1251 0.0024 -0.0050 0.0101 143 ASP A N 2041 C CA . ASP A 143 ? 0.1113 0.1948 0.1259 0.0009 -0.0078 0.0100 143 ASP A CA 2042 C C . ASP A 143 ? 0.1081 0.1988 0.1437 0.0159 -0.0050 -0.0033 143 ASP A C 2043 O O . ASP A 143 ? 0.1393 0.2165 0.1920 0.0297 0.0027 -0.0191 143 ASP A O 2044 C CB . ASP A 143 ? 0.1121 0.2462 0.1314 -0.0102 -0.0003 0.0052 143 ASP A CB 2045 C CG . ASP A 143 ? 0.1167 0.2010 0.1258 0.0025 0.0002 0.0003 143 ASP A CG 2046 O OD1 . ASP A 143 ? 0.1035 0.1955 0.1544 -0.0085 -0.0023 0.0055 143 ASP A OD1 2047 O OD2 . ASP A 143 ? 0.1567 0.3286 0.1523 -0.0025 0.0009 -0.0343 143 ASP A OD2 2052 N N . THR A 144 ? 0.1264 0.1911 0.1087 -0.0065 -0.0178 -0.0069 144 THR A N 2053 C CA . THR A 144 ? 0.1359 0.1932 0.1246 -0.0074 -0.0274 -0.0161 144 THR A CA 2054 C C . THR A 144 ? 0.1387 0.1834 0.1223 -0.0172 -0.0341 -0.0199 144 THR A C 2055 O O . THR A 144 ? 0.2599 0.1873 0.1444 -0.0556 -0.0611 -0.0106 144 THR A O 2056 C CB . THR A 144 ? 0.1854 0.2205 0.1891 -0.0174 -0.0820 -0.0131 144 THR A CB 2057 O OG1 . THR A 144 ? 0.1214 0.2949 0.2447 -0.0468 -0.0328 -0.0101 144 THR A OG1 2058 C CG2 . THR A 144 ? 0.2416 0.2670 0.2057 0.0120 -0.1292 0.0002 144 THR A CG2 2065 N N . THR A 145 ? 0.0768 0.1665 0.1099 -0.0031 -0.0146 -0.0097 145 THR A N 2066 C CA . THR A 145 ? 0.0699 0.1620 0.1124 -0.0088 -0.0085 -0.0143 145 THR A CA 2067 C C . THR A 145 ? 0.0770 0.1392 0.1008 -0.0042 0.0000 -0.0126 145 THR A C 2068 O O . THR A 145 ? 0.0785 0.1810 0.1049 -0.0132 -0.0040 -0.0035 145 THR A O 2069 C CB . THR A 145 ? 0.0756 0.1562 0.1273 -0.0130 0.0011 -0.0030 145 THR A CB 2070 O OG1 . THR A 145 ? 0.0851 0.1424 0.1373 0.0007 0.0024 -0.0036 145 THR A OG1 2071 C CG2 . THR A 145 ? 0.0811 0.1858 0.1509 -0.0046 -0.0069 -0.0094 145 THR A CG2 2078 N N . ILE A 146 ? 0.0763 0.1404 0.1025 0.0010 -0.0026 -0.0040 146 ILE A N 2079 C CA . ILE A 146 ? 0.0732 0.1405 0.1055 0.0014 0.0001 -0.0008 146 ILE A CA 2080 C C . ILE A 146 ? 0.0798 0.1465 0.0954 0.0002 0.0023 -0.0122 146 ILE A C 2081 O O . ILE A 146 ? 0.1307 0.1877 0.1010 0.0356 -0.0213 -0.0297 146 ILE A O 2082 C CB . ILE A 146 ? 0.0851 0.1529 0.0997 0.0015 -0.0022 0.0024 146 ILE A CB 2083 C CG1 . ILE A 146 ? 0.1081 0.1668 0.1041 0.0013 0.0014 0.0097 146 ILE A CG1 2084 C CG2 . ILE A 146 ? 0.0830 0.1676 0.1587 0.0011 0.0072 0.0255 146 ILE A CG2 2085 C CD1 . ILE A 146 ? 0.1408 0.1397 0.1365 -0.0226 -0.0222 0.0220 146 ILE A CD1 2097 N N . ILE A 147 ? 0.0746 0.1301 0.0892 -0.0004 -0.0029 -0.0163 147 ILE A N 2098 C CA . ILE A 147 ? 0.0854 0.1213 0.0907 -0.0061 0.0066 -0.0181 147 ILE A CA 2099 C C . ILE A 147 ? 0.0866 0.1129 0.0837 -0.0074 0.0028 -0.0171 147 ILE A C 2100 O O . ILE A 147 ? 0.0752 0.1766 0.1015 0.0066 0.0008 -0.0375 147 ILE A O 2101 C CB . ILE A 147 ? 0.0938 0.1272 0.1146 -0.0153 0.0119 -0.0146 147 ILE A CB 2102 C CG1 . ILE A 147 ? 0.0947 0.1619 0.1528 -0.0153 0.0240 -0.0031 147 ILE A CG1 2103 C CG2 . ILE A 147 ? 0.1191 0.1224 0.1298 0.0022 0.0064 -0.0125 147 ILE A CG2 2104 C CD1 . ILE A 147 ? 0.1183 0.1774 0.1890 -0.0015 0.0452 0.0166 147 ILE A CD1 2116 N N . THR A 148 ? 0.0755 0.1107 0.0760 -0.0139 -0.0039 -0.0047 148 THR A N 2117 C CA . THR A 148 ? 0.0787 0.0986 0.0799 -0.0127 0.0028 -0.0069 148 THR A CA 2118 C C . THR A 148 ? 0.0817 0.1050 0.0692 -0.0119 0.0052 -0.0090 148 THR A C 2119 O O . THR A 148 ? 0.0835 0.1081 0.0904 -0.0206 -0.0034 -0.0098 148 THR A O 2120 C CB . THR A 148 ? 0.0886 0.1001 0.0957 -0.0124 0.0096 -0.0058 148 THR A CB 2121 O OG1 . THR A 148 ? 0.0987 0.1124 0.0858 -0.0058 0.0058 -0.0094 148 THR A OG1 2122 C CG2 . THR A 148 ? 0.1010 0.1017 0.1123 -0.0120 0.0087 -0.0015 148 THR A CG2 2129 N N . LEU A 149 ? 0.0784 0.0934 0.0789 -0.0191 0.0034 -0.0065 149 LEU A N 2130 C CA . LEU A 149 ? 0.0771 0.0917 0.0892 -0.0118 -0.0011 -0.0161 149 LEU A CA 2131 C C . LEU A 149 ? 0.0807 0.0913 0.0842 -0.0168 -0.0026 -0.0060 149 LEU A C 2132 O O . LEU A 149 ? 0.0852 0.0988 0.0907 -0.0161 0.0108 -0.0166 149 LEU A O 2133 C CB . LEU A 149 ? 0.0819 0.1019 0.0852 -0.0127 0.0013 -0.0114 149 LEU A CB 2134 C CG . LEU A 149 ? 0.0791 0.1069 0.0895 -0.0171 0.0099 -0.0037 149 LEU A CG 2135 C CD1 . LEU A 149 ? 0.1057 0.1267 0.0839 -0.0161 0.0064 -0.0090 149 LEU A CD1 2136 C CD2 . LEU A 149 ? 0.0944 0.1173 0.0922 -0.0346 0.0088 0.0005 149 LEU A CD2 2148 N N . ALA A 150 ? 0.0776 0.0925 0.0881 -0.0162 0.0040 -0.0163 150 ALA A N 2149 C CA . ALA A 150 ? 0.0667 0.1026 0.0966 -0.0060 0.0064 -0.0097 150 ALA A CA 2150 C C . ALA A 150 ? 0.0829 0.1044 0.0900 -0.0157 0.0118 -0.0108 150 ALA A C 2151 O O . ALA A 150 ? 0.0889 0.1024 0.1256 -0.0107 -0.0015 -0.0262 150 ALA A O 2152 C CB . ALA A 150 ? 0.0879 0.1137 0.0988 -0.0060 0.0150 -0.0121 150 ALA A CB 2158 N N . ASP A 151 ? 0.0797 0.0947 0.0928 -0.0087 0.0097 -0.0102 151 ASP A N 2159 C CA . ASP A 151 ? 0.0874 0.0929 0.0924 -0.0092 0.0080 -0.0056 151 ASP A CA 2160 C C . ASP A 151 ? 0.0899 0.0951 0.0919 -0.0168 0.0024 -0.0117 151 ASP A C 2161 O O . ASP A 151 ? 0.1432 0.1065 0.0910 -0.0289 0.0236 -0.0126 151 ASP A O 2162 C CB . ASP A 151 ? 0.1028 0.1050 0.0933 0.0074 0.0083 0.0004 151 ASP A CB 2163 C CG . ASP A 151 ? 0.0833 0.1143 0.0963 -0.0028 0.0133 -0.0055 151 ASP A CG 2164 O OD1 . ASP A 151 ? 0.0989 0.1021 0.1008 -0.0111 0.0015 -0.0105 151 ASP A OD1 2165 O OD2 . ASP A 151 ? 0.0958 0.1223 0.1097 0.0052 0.0026 -0.0155 151 ASP A OD2 2170 N N . TRP A 152 ? 0.1071 0.1057 0.0899 -0.0185 0.0264 -0.0094 152 TRP A N 2171 C CA . TRP A 152 ? 0.1102 0.1056 0.0951 -0.0096 0.0243 -0.0116 152 TRP A CA 2172 C C . TRP A 152 ? 0.1112 0.1076 0.1050 -0.0010 0.0276 -0.0099 152 TRP A C 2173 O O . TRP A 152 ? 0.1252 0.1061 0.1299 -0.0061 0.0381 -0.0118 152 TRP A O 2174 C CB . TRP A 152 ? 0.1111 0.1279 0.0949 -0.0143 0.0149 -0.0109 152 TRP A CB 2175 C CG . TRP A 152 ? 0.1114 0.1277 0.0985 -0.0150 0.0122 -0.0225 152 TRP A CG 2176 C CD1 . TRP A 152 ? 0.1291 0.1426 0.0984 -0.0117 0.0158 -0.0240 152 TRP A CD1 2177 C CD2 . TRP A 152 ? 0.1271 0.1295 0.0957 -0.0107 0.0174 -0.0116 152 TRP A CD2 2178 N NE1 . TRP A 152 ? 0.1522 0.1541 0.0939 -0.0086 0.0160 -0.0253 152 TRP A NE1 2179 C CE2 . TRP A 152 ? 0.1592 0.1364 0.0960 0.0020 0.0114 -0.0051 152 TRP A CE2 2180 C CE3 . TRP A 152 ? 0.1615 0.1242 0.1148 -0.0095 0.0122 -0.0083 152 TRP A CE3 2181 C CZ2 . TRP A 152 ? 0.1952 0.1619 0.1005 -0.0246 0.0343 -0.0031 152 TRP A CZ2 2182 C CZ3 . TRP A 152 ? 0.2039 0.1380 0.1152 -0.0091 0.0263 0.0031 152 TRP A CZ3 2183 C CH2 . TRP A 152 ? 0.2456 0.1461 0.1114 -0.0097 0.0264 0.0210 152 TRP A CH2 2194 N N . TYR A 153 ? 0.1157 0.1120 0.0949 -0.0039 0.0265 -0.0052 153 TYR A N 2195 C CA . TYR A 153 ? 0.1139 0.1224 0.1142 0.0092 0.0421 -0.0099 153 TYR A CA 2196 C C . TYR A 153 ? 0.1182 0.1351 0.1107 -0.0014 0.0287 -0.0063 153 TYR A C 2197 O O . TYR A 153 ? 0.1412 0.1324 0.1133 0.0006 0.0348 -0.0063 153 TYR A O 2198 C CB . TYR A 153 ? 0.1132 0.1391 0.1193 0.0074 0.0308 -0.0054 153 TYR A CB 2199 C CG . TYR A 153 ? 0.1107 0.1398 0.1036 0.0064 0.0159 -0.0064 153 TYR A CG 2200 C CD1 . TYR A 153 ? 0.1181 0.1332 0.1193 0.0089 0.0215 -0.0123 153 TYR A CD1 2201 C CD2 . TYR A 153 ? 0.1146 0.1367 0.1047 0.0020 0.0139 -0.0074 153 TYR A CD2 2202 C CE1 . TYR A 153 ? 0.1258 0.1404 0.1168 0.0151 0.0183 0.0038 153 TYR A CE1 2203 C CE2 . TYR A 153 ? 0.1246 0.1394 0.1122 0.0112 0.0127 -0.0150 153 TYR A CE2 2204 C CZ . TYR A 153 ? 0.1257 0.1466 0.1051 0.0130 0.0146 -0.0057 153 TYR A CZ 2205 O OH . TYR A 153 ? 0.1310 0.1694 0.1026 0.0360 0.0113 -0.0008 153 TYR A OH 2214 N N . HIS A 154 ? 0.1346 0.1298 0.1170 -0.0104 0.0350 -0.0243 154 HIS A N 2215 C CA . HIS A 154 ? 0.1379 0.1496 0.1134 -0.0113 0.0266 -0.0280 154 HIS A CA 2216 C C . HIS A 154 ? 0.1571 0.1864 0.1275 -0.0136 0.0441 -0.0382 154 HIS A C 2217 O O . HIS A 154 ? 0.1545 0.3924 0.1287 -0.0626 0.0393 -0.0065 154 HIS A O 2218 C CB . HIS A 154 ? 0.1616 0.1589 0.1246 -0.0015 0.0274 -0.0434 154 HIS A CB 2219 C CG . HIS A 154 ? 0.1397 0.1590 0.1285 -0.0074 0.0217 -0.0202 154 HIS A CG 2220 N ND1 . HIS A 154 ? 0.1786 0.1531 0.1872 -0.0153 0.0180 -0.0417 154 HIS A ND1 2221 C CD2 . HIS A 154 ? 0.1356 0.1650 0.1268 -0.0042 0.0272 -0.0102 154 HIS A CD2 2222 C CE1 . HIS A 154 ? 0.1720 0.1964 0.1746 -0.0269 0.0178 -0.0385 154 HIS A CE1 2223 N NE2 . HIS A 154 ? 0.1526 0.2044 0.1633 -0.0266 0.0292 -0.0342 154 HIS A NE2 2232 N N . THR A 155 ? 0.1419 0.1687 0.1306 -0.0020 0.0347 -0.0175 155 THR A N 2233 C CA . THR A 155 ? 0.1313 0.1578 0.1627 0.0118 0.0230 -0.0132 155 THR A CA 2234 C C . THR A 155 ? 0.1346 0.1551 0.1274 -0.0069 0.0252 -0.0229 155 THR A C 2235 O O . THR A 155 ? 0.1624 0.1620 0.1493 -0.0034 0.0496 -0.0313 155 THR A O 2236 C CB . THR A 155 ? 0.1613 0.1716 0.2021 0.0166 0.0100 -0.0149 155 THR A CB 2237 O OG1 . THR A 155 ? 0.1855 0.1788 0.3307 0.0089 -0.0138 -0.0077 155 THR A OG1 2238 C CG2 . THR A 155 ? 0.1620 0.2076 0.2263 0.0146 0.0132 -0.0032 155 THR A CG2 2245 N N . LEU A 156 ? 0.1383 0.1597 0.1406 -0.0054 0.0304 -0.0211 156 LEU A N 2246 C CA . LEU A 156 ? 0.1367 0.1550 0.1251 0.0135 0.0131 -0.0076 156 LEU A CA 2247 C C . LEU A 156 ? 0.1157 0.1505 0.1355 0.0048 0.0182 -0.0053 156 LEU A C 2248 O O . LEU A 156 ? 0.1258 0.1641 0.1698 0.0200 0.0144 -0.0045 156 LEU A O 2249 C CB . LEU A 156 ? 0.1822 0.1636 0.1236 -0.0140 0.0130 -0.0222 156 LEU A CB 2250 C CG . LEU A 156 ? 0.1719 0.2009 0.1533 0.0084 0.0186 0.0040 156 LEU A CG 2251 C CD1 . LEU A 156 ? 0.1947 0.2427 0.1292 -0.0011 -0.0048 -0.0040 156 LEU A CD1 2252 C CD2 . LEU A 156 ? 0.2378 0.1992 0.1296 0.0093 0.0240 0.0066 156 LEU A CD2 2264 N N . ALA A 157 ? 0.1413 0.1477 0.1026 -0.0009 0.0115 -0.0059 157 ALA A N 2265 C CA . ALA A 157 ? 0.1303 0.1669 0.1039 0.0069 0.0039 -0.0011 157 ALA A CA 2266 C C . ALA A 157 ? 0.1267 0.1771 0.1142 -0.0003 0.0030 0.0153 157 ALA A C 2267 O O . ALA A 157 ? 0.1568 0.2306 0.1480 -0.0045 -0.0102 0.0445 157 ALA A O 2268 C CB . ALA A 157 ? 0.1600 0.1701 0.0963 -0.0063 0.0000 -0.0051 157 ALA A CB 2274 N N . GLN A 158 ? 0.1157 0.1695 0.1280 0.0140 0.0081 0.0130 158 GLN A N 2275 C CA . GLN A 158 ? 0.1119 0.2209 0.1553 -0.0070 0.0163 0.0010 158 GLN A CA 2276 C C . GLN A 158 ? 0.1213 0.2244 0.2284 0.0193 0.0111 0.0119 158 GLN A C 2277 O O . GLN A 158 ? 0.1217 0.2582 0.3537 0.0409 0.0104 0.0043 158 GLN A O 2278 C CB . GLN A 158 ? 0.1171 0.2024 0.1681 -0.0010 0.0367 -0.0063 158 GLN A CB 2279 C CG . GLN A 158 ? 0.1715 0.1891 0.1380 -0.0207 0.0279 -0.0007 158 GLN A CG 2280 C CD . GLN A 158 ? 0.1247 0.2392 0.1870 0.0298 0.0250 0.0206 158 GLN A CD 2281 O OE1 . GLN A 158 ? 0.1472 0.3178 0.2784 -0.0099 -0.0156 -0.0160 158 GLN A OE1 2282 N NE2 . GLN A 158 ? 0.1433 0.2545 0.1728 0.0232 0.0031 -0.0221 158 GLN A NE2 2291 N N . GLN A 159 ? 0.1335 0.2014 0.2382 0.0345 0.0198 -0.0035 159 GLN A N 2292 C CA . GLN A 159 ? 0.1683 0.2305 0.2182 0.0183 0.0310 -0.0159 159 GLN A CA 2293 C C . GLN A 159 ? 0.1582 0.2500 0.2204 0.0322 0.0318 0.0168 159 GLN A C 2294 O O . GLN A 159 ? 0.2335 0.2486 0.3019 0.0585 0.0286 0.0091 159 GLN A O 2295 C CB . GLN A 159 ? 0.1943 0.2482 0.2253 -0.0083 0.0304 -0.0234 159 GLN A CB 2296 C CG . GLN A 159 ? 0.2872 0.3032 0.2465 -0.0320 0.0513 -0.0004 159 GLN A CG 2297 C CD . GLN A 159 ? 0.2087 0.2776 0.2699 0.0426 0.0436 0.0094 159 GLN A CD 2298 O OE1 . GLN A 159 ? 0.2880 0.4408 0.2611 -0.0615 0.0685 -0.0878 159 GLN A OE1 2299 N NE2 . GLN A 159 ? 0.3996 0.3481 0.2640 0.0320 0.0680 0.0617 159 GLN A NE2 2308 N N . GLU A 160 ? 0.2174 0.2230 0.2143 -0.0077 0.0107 0.0150 160 GLU A N 2309 C CA . GLU A 160 ? 0.2299 0.2953 0.2842 0.0107 0.0073 0.0784 160 GLU A CA 2310 C C . GLU A 160 ? 0.2120 0.3085 0.3964 -0.0460 -0.0975 0.0615 160 GLU A C 2311 O O . GLU A 160 ? 0.2350 0.4108 0.5052 -0.1079 -0.1150 0.0839 160 GLU A O 2312 C CB . GLU A 160 ? 0.2516 0.3465 0.2198 -0.0699 -0.0249 0.0213 160 GLU A CB 2313 C CG . GLU A 160 ? 0.2330 0.3955 0.1948 -0.0632 -0.0235 -0.0323 160 GLU A CG 2314 C CD . GLU A 160 ? 0.2144 0.4038 0.3122 -0.0736 -0.0638 -0.0308 160 GLU A CD 2315 O OE1 . GLU A 160 ? 0.2568 0.3879 0.3196 -0.1009 0.0557 0.0040 160 GLU A OE1 2316 O OE2 . GLU A 160 ? 0.2058 0.3543 0.2481 -0.0558 0.0241 0.0082 160 GLU A OE2 2323 N N . PRO A 161 ? 0.1978 0.3520 0.3399 0.0206 -0.0589 0.0279 161 PRO A N 2324 C CA . PRO A 161 ? 0.2455 0.5353 0.3718 0.1012 -0.0609 0.0833 161 PRO A CA 2325 C C . PRO A 161 ? 0.2112 0.7231 0.3945 -0.0348 -0.0652 0.1554 161 PRO A C 2326 O O . PRO A 161 ? 0.2750 0.7091 0.3567 0.0846 -0.0369 0.1643 161 PRO A O 2327 C CB . PRO A 161 ? 0.3188 0.5520 0.4813 0.2273 0.0010 0.0512 161 PRO A CB 2328 C CG . PRO A 161 ? 0.3313 0.4515 0.5372 0.1569 -0.0108 -0.0989 161 PRO A CG 2329 C CD . PRO A 161 ? 0.2169 0.2817 0.4298 0.0273 0.0042 -0.0371 161 PRO A CD 2337 N N . ILE A 162 ? 0.2289 0.9355 0.4720 -0.0282 -0.1506 0.1533 162 ILE A N 2350 N N . ALA A 164 ? 0.2227 0.8715 0.3358 0.1932 0.0019 0.0516 164 ALA A N 2351 C CA . ALA A 164 ? 0.2482 0.5619 0.6113 0.2325 0.1378 0.0776 164 ALA A CA 2352 C C . ALA A 164 ? 0.3502 0.4221 0.2698 0.2054 0.0745 0.1206 164 ALA A C 2353 O O . ALA A 164 ? 0.3332 0.4305 0.4236 0.1612 0.1571 0.1810 164 ALA A O 2356 N N . ALA A 165 ? 0.2742 0.3225 0.2444 0.1593 0.0175 0.0315 165 ALA A N 2357 C CA . ALA A 165 ? 0.2230 0.2251 0.1826 0.0959 -0.0258 0.0037 165 ALA A CA 2358 C C . ALA A 165 ? 0.2200 0.2544 0.1856 0.1222 -0.0231 -0.0059 165 ALA A C 2359 O O . ALA A 165 ? 0.4037 0.3175 0.2282 0.2093 -0.1167 -0.0549 165 ALA A O 2360 C CB . ALA A 165 ? 0.3182 0.2024 0.2114 0.0600 -0.0603 -0.0128 165 ALA A CB 2366 N N . ILE A 166 ? 0.1752 0.2174 0.1772 0.0619 -0.0148 0.0148 166 ILE A N 2367 C CA . ILE A 166 ? 0.1552 0.2297 0.1725 0.0751 0.0046 0.0241 166 ILE A CA 2368 C C . ILE A 166 ? 0.1707 0.2171 0.2041 0.0857 0.0088 -0.0072 166 ILE A C 2369 O O . ILE A 166 ? 0.1993 0.2688 0.1986 0.0746 0.0191 -0.0055 166 ILE A O 2370 C CB . ILE A 166 ? 0.2048 0.2083 0.1948 0.0726 0.0042 0.0344 166 ILE A CB 2371 C CG1 . ILE A 166 ? 0.2166 0.2510 0.3051 0.0989 0.0446 0.0435 166 ILE A CG1 2372 C CG2 . ILE A 166 ? 0.2355 0.2379 0.2810 0.0980 -0.0214 0.0321 166 ILE A CG2 2373 C CD1 . ILE A 166 ? 0.3155 0.2843 0.5320 0.0777 0.1175 0.0031 166 ILE A CD1 2385 N N . THR A 167 ? 0.1819 0.2205 0.1885 0.0652 0.0020 0.0097 167 THR A N 2386 C CA . THR A 167 ? 0.1846 0.1589 0.1671 0.0095 0.0028 0.0317 167 THR A CA 2387 C C . THR A 167 ? 0.1483 0.1563 0.1406 0.0163 0.0232 0.0169 167 THR A C 2388 O O . THR A 167 ? 0.1433 0.1791 0.1455 0.0225 0.0237 0.0029 167 THR A O 2394 N N . ALA A 168 ? 0.1408 0.1391 0.1428 -0.0097 0.0200 -0.0105 168 ALA A N 2395 C CA . ALA A 168 ? 0.1475 0.1233 0.1338 0.0035 0.0123 -0.0127 168 ALA A CA 2396 C C . ALA A 168 ? 0.1348 0.1120 0.1313 0.0096 0.0351 -0.0093 168 ALA A C 2397 O O . ALA A 168 ? 0.1559 0.1230 0.1554 0.0084 0.0062 -0.0065 168 ALA A O 2398 C CB . ALA A 168 ? 0.1760 0.1369 0.1470 0.0162 0.0164 -0.0268 168 ALA A CB 2404 N N . ASP A 169 ? 0.1445 0.1110 0.1183 0.0006 0.0224 -0.0158 169 ASP A N 2405 C CA . ASP A 169 ? 0.1350 0.1242 0.1214 0.0045 0.0299 -0.0182 169 ASP A CA 2406 C C . ASP A 169 ? 0.1389 0.1029 0.1215 -0.0067 0.0373 -0.0164 169 ASP A C 2407 O O . ASP A 169 ? 0.1546 0.1089 0.1464 -0.0109 0.0294 -0.0279 169 ASP A O 2408 C CB . ASP A 169 ? 0.1645 0.1400 0.1427 -0.0019 0.0439 -0.0183 169 ASP A CB 2409 C CG . ASP A 169 ? 0.1760 0.1345 0.1711 0.0164 0.0606 -0.0061 169 ASP A CG 2410 O OD1 . ASP A 169 ? 0.1978 0.1462 0.2688 0.0367 0.0929 0.0295 169 ASP A OD1 2411 O OD2 . ASP A 169 ? 0.1571 0.1748 0.1836 0.0108 0.0519 0.0202 169 ASP A OD2 2416 N N . ALA A 170 ? 0.1224 0.1088 0.1173 -0.0073 0.0332 -0.0135 170 ALA A N 2417 C CA . ALA A 170 ? 0.1221 0.0978 0.1107 -0.0164 0.0297 -0.0165 170 ALA A CA 2418 C C . ALA A 170 ? 0.1048 0.1013 0.1111 -0.0129 0.0199 -0.0136 170 ALA A C 2419 O O . ALA A 170 ? 0.1076 0.1090 0.1516 -0.0200 0.0370 -0.0263 170 ALA A O 2420 C CB . ALA A 170 ? 0.1142 0.1289 0.1100 -0.0208 0.0261 -0.0174 170 ALA A CB 2426 N N . THR A 171 ? 0.1091 0.0954 0.1037 -0.0153 0.0227 -0.0123 171 THR A N 2427 C CA . THR A 171 ? 0.1074 0.0965 0.0974 -0.0273 0.0145 -0.0094 171 THR A CA 2428 C C . THR A 171 ? 0.0958 0.1030 0.0907 -0.0170 0.0132 -0.0127 171 THR A C 2429 O O . THR A 171 ? 0.1195 0.1095 0.0987 -0.0306 0.0008 -0.0189 171 THR A O 2430 C CB . THR A 171 ? 0.1110 0.0957 0.0988 -0.0237 0.0207 -0.0068 171 THR A CB 2431 O OG1 . THR A 171 ? 0.1156 0.1002 0.1033 -0.0107 0.0101 -0.0038 171 THR A OG1 2432 C CG2 . THR A 171 ? 0.1050 0.1256 0.0954 -0.0013 0.0178 -0.0050 171 THR A CG2 2439 N N . LEU A 172 ? 0.0819 0.0998 0.0981 -0.0212 0.0085 -0.0172 172 LEU A N 2440 C CA . LEU A 172 ? 0.0954 0.0953 0.0921 -0.0184 0.0125 -0.0162 172 LEU A CA 2441 C C . LEU A 172 ? 0.0879 0.0936 0.0858 -0.0160 0.0069 -0.0095 172 LEU A C 2442 O O . LEU A 172 ? 0.0923 0.1053 0.1045 -0.0158 0.0019 -0.0315 172 LEU A O 2443 C CB . LEU A 172 ? 0.1056 0.1062 0.0879 -0.0240 0.0066 -0.0108 172 LEU A CB 2444 C CG . LEU A 172 ? 0.1056 0.1081 0.1014 -0.0147 0.0207 -0.0087 172 LEU A CG 2445 C CD1 . LEU A 172 ? 0.1074 0.1346 0.1166 -0.0122 0.0189 0.0057 172 LEU A CD1 2446 C CD2 . LEU A 172 ? 0.1233 0.1254 0.1007 -0.0205 0.0342 -0.0129 172 LEU A CD2 2458 N N . ILE A 173 ? 0.0830 0.1082 0.0879 -0.0183 0.0124 -0.0192 173 ILE A N 2459 C CA . ILE A 173 ? 0.0975 0.1054 0.0853 -0.0279 0.0073 -0.0199 173 ILE A CA 2460 C C . ILE A 173 ? 0.0831 0.1194 0.0910 -0.0149 0.0072 -0.0166 173 ILE A C 2461 O O . ILE A 173 ? 0.0983 0.1210 0.0912 -0.0206 -0.0034 -0.0174 173 ILE A O 2462 C CB . ILE A 173 ? 0.0902 0.1080 0.0978 -0.0286 0.0071 -0.0214 173 ILE A CB 2463 C CG1 . ILE A 173 ? 0.1086 0.1356 0.0977 -0.0420 0.0090 -0.0162 173 ILE A CG1 2464 C CG2 . ILE A 173 ? 0.0879 0.1269 0.1198 -0.0205 0.0197 -0.0270 173 ILE A CG2 2465 C CD1 . ILE A 173 ? 0.1313 0.1519 0.1161 -0.0561 -0.0025 0.0057 173 ILE A CD1 2477 N N . ASN A 174 ? 0.0877 0.1092 0.0914 -0.0188 -0.0006 -0.0130 174 ASN A N 2478 C CA . ASN A 174 ? 0.1147 0.1177 0.0863 -0.0239 -0.0141 -0.0089 174 ASN A CA 2479 C C . ASN A 174 ? 0.1193 0.1114 0.0963 -0.0100 -0.0145 -0.0093 174 ASN A C 2480 O O . ASN A 174 ? 0.1531 0.1549 0.0904 -0.0155 -0.0129 -0.0087 174 ASN A O 2481 C CB . ASN A 174 ? 0.1008 0.1313 0.1181 -0.0024 -0.0248 -0.0171 174 ASN A CB 2482 C CG . ASN A 174 ? 0.1169 0.1744 0.0981 0.0095 -0.0255 -0.0213 174 ASN A CG 2483 O OD1 . ASN A 174 ? 0.1200 0.2141 0.1495 0.0321 -0.0299 -0.0851 174 ASN A OD1 2484 N ND2 . ASN A 174 ? 0.1219 0.2655 0.1181 0.0144 -0.0083 -0.0295 174 ASN A ND2 2491 N N . GLY A 175 ? 0.1212 0.1063 0.0866 -0.0215 -0.0006 0.0000 175 GLY A N 2492 C CA . GLY A 175 ? 0.1414 0.1244 0.1007 -0.0278 0.0115 -0.0062 175 GLY A CA 2493 C C . GLY A 175 ? 0.1106 0.1152 0.1009 -0.0238 0.0135 -0.0110 175 GLY A C 2494 O O . GLY A 175 ? 0.1502 0.1355 0.1115 -0.0323 0.0382 -0.0138 175 GLY A O 2498 N N . LEU A 176 ? 0.1191 0.1056 0.0881 -0.0255 0.0165 -0.0119 176 LEU A N 2499 C CA . LEU A 176 ? 0.1134 0.1355 0.0834 -0.0358 0.0112 -0.0220 176 LEU A CA 2500 C C . LEU A 176 ? 0.0994 0.1138 0.0903 -0.0265 0.0120 -0.0119 176 LEU A C 2501 O O . LEU A 176 ? 0.1078 0.1059 0.0881 -0.0331 0.0120 -0.0202 176 LEU A O 2502 C CB . LEU A 176 ? 0.1344 0.1364 0.0867 -0.0344 0.0022 -0.0140 176 LEU A CB 2503 C CG . LEU A 176 ? 0.1483 0.1498 0.0942 -0.0220 -0.0105 -0.0075 176 LEU A CG 2504 C CD1 . LEU A 176 ? 0.1454 0.1931 0.1227 -0.0259 -0.0149 -0.0131 176 LEU A CD1 2505 C CD2 . LEU A 176 ? 0.1580 0.1968 0.0992 -0.0066 -0.0080 0.0039 176 LEU A CD2 2517 N N . GLY A 177 ? 0.1199 0.1135 0.1089 -0.0248 0.0278 -0.0237 177 GLY A N 2518 C CA . GLY A 177 ? 0.1220 0.1063 0.1004 -0.0300 0.0182 -0.0183 177 GLY A CA 2519 C C . GLY A 177 ? 0.1252 0.1129 0.1105 -0.0247 0.0228 -0.0171 177 GLY A C 2520 O O . GLY A 177 ? 0.2446 0.1455 0.1379 0.0068 0.0874 0.0025 177 GLY A O 2524 N N . ARG A 178 ? 0.1493 0.1054 0.0987 -0.0228 0.0203 -0.0266 178 ARG A N 2525 C CA . ARG A 178 ? 0.1313 0.1145 0.1172 -0.0164 0.0200 -0.0337 178 ARG A CA 2526 C C . ARG A 178 ? 0.1410 0.1053 0.1184 -0.0227 0.0343 -0.0253 178 ARG A C 2527 O O . ARG A 178 ? 0.1430 0.1202 0.1184 -0.0168 0.0247 -0.0309 178 ARG A O 2528 C CB . ARG A 178 ? 0.1332 0.1258 0.1329 -0.0350 0.0236 -0.0436 178 ARG A CB 2529 C CG . ARG A 178 ? 0.1632 0.1259 0.1333 -0.0390 0.0150 -0.0355 178 ARG A CG 2530 C CD . ARG A 178 ? 0.1348 0.1515 0.1497 -0.0346 0.0096 -0.0410 178 ARG A CD 2531 N NE . ARG A 178 ? 0.1407 0.1538 0.1241 -0.0419 0.0083 -0.0364 178 ARG A NE 2532 C CZ . ARG A 178 ? 0.1462 0.1548 0.1293 -0.0296 0.0277 -0.0367 178 ARG A CZ 2533 N NH1 . ARG A 178 ? 0.1579 0.1695 0.1487 -0.0464 0.0174 -0.0214 178 ARG A NH1 2534 N NH2 . ARG A 178 ? 0.1633 0.1718 0.1539 -0.0498 0.0050 -0.0257 178 ARG A NH2 2548 N N . SER A 179 ? 0.1469 0.1279 0.1270 -0.0233 0.0350 -0.0420 179 SER A N 2549 C CA . SER A 179 ? 0.1591 0.1309 0.1400 -0.0195 0.0325 -0.0399 179 SER A CA 2550 C C . SER A 179 ? 0.1655 0.1147 0.1506 -0.0148 0.0427 -0.0407 179 SER A C 2551 O O . SER A 179 ? 0.1765 0.1124 0.1623 -0.0257 0.0328 -0.0349 179 SER A O 2552 C CB . SER A 179 ? 0.1432 0.1836 0.1976 -0.0070 0.0515 -0.0365 179 SER A CB 2553 O OG A SER A 179 ? 0.1988 0.2353 0.2184 -0.0101 0.0339 -0.0569 179 SER A OG 2554 O OG B SER A 179 ? 0.1772 0.1407 0.1530 0.0007 0.0569 -0.0522 179 SER A OG 2555 O OG C SER A 179 ? 0.1194 0.2063 0.1868 0.0089 0.0933 -0.0201 179 SER A OG 2558 N N . PHE A 180 ? 0.1852 0.1071 0.1649 -0.0182 0.0313 -0.0399 180 PHE A N 2559 C CA . PHE A 180 ? 0.2035 0.1141 0.1804 -0.0060 0.0422 -0.0239 180 PHE A CA 2560 C C . PHE A 180 ? 0.2087 0.1289 0.2218 -0.0098 0.0197 -0.0516 180 PHE A C 2561 O O . PHE A 180 ? 0.3290 0.1172 0.2622 -0.0031 -0.0003 -0.0319 180 PHE A O 2562 C CB . PHE A 180 ? 0.1475 0.1268 0.1794 0.0034 0.0215 -0.0187 180 PHE A CB 2563 C CG . PHE A 180 ? 0.1439 0.1339 0.1300 0.0110 0.0179 -0.0073 180 PHE A CG 2564 C CD1 . PHE A 180 ? 0.1476 0.1241 0.1534 -0.0033 0.0353 -0.0053 180 PHE A CD1 2565 C CD2 . PHE A 180 ? 0.1613 0.1392 0.1187 0.0014 0.0345 -0.0142 180 PHE A CD2 2566 C CE1 . PHE A 180 ? 0.1663 0.1500 0.1499 0.0217 0.0297 -0.0128 180 PHE A CE1 2567 C CE2 . PHE A 180 ? 0.1534 0.1263 0.1298 0.0015 0.0164 -0.0145 180 PHE A CE2 2568 C CZ . PHE A 180 ? 0.1819 0.1225 0.1285 0.0321 0.0352 -0.0024 180 PHE A CZ 2578 N N . THR A 181 ? 0.2383 0.1419 0.2281 0.0153 0.0457 -0.0545 181 THR A N 2579 C CA . THR A 181 ? 0.2592 0.1925 0.3115 0.0333 -0.0018 -0.1178 181 THR A CA 2580 C C . THR A 181 ? 0.1944 0.1809 0.2840 -0.0119 0.0143 -0.0910 181 THR A C 2581 O O . THR A 181 ? 0.2215 0.2114 0.2757 -0.0119 0.0452 -0.0764 181 THR A O 2587 N N . ASN A 182 ? 0.2429 0.1980 0.3066 0.0273 0.0140 -0.1163 182 ASN A N 2588 C CA . ASN A 182 ? 0.2600 0.2808 0.3322 0.0137 0.0033 -0.1312 182 ASN A CA 2589 C C . ASN A 182 ? 0.2142 0.2505 0.2913 -0.0006 0.0093 -0.1057 182 ASN A C 2590 O O . ASN A 182 ? 0.2957 0.2748 0.3094 0.0120 0.0347 -0.0838 182 ASN A O 2597 N N . THR A 183 ? 0.2523 0.1649 0.2826 0.0062 0.0274 -0.0797 183 THR A N 2598 C CA . THR A 183 ? 0.2164 0.1759 0.2799 -0.0221 -0.0027 -0.0965 183 THR A CA 2599 C C . THR A 183 ? 0.2612 0.1800 0.2618 0.0002 -0.0172 -0.1037 183 THR A C 2600 O O . THR A 183 ? 0.3090 0.2079 0.3431 -0.0412 -0.0205 -0.1356 183 THR A O 2601 C CB . THR A 183 ? 0.2368 0.1304 0.3150 -0.0224 0.0042 -0.0703 183 THR A CB 2602 O OG1 . THR A 183 ? 0.2231 0.1415 0.2827 -0.0359 0.0095 -0.0544 183 THR A OG1 2603 C CG2 . THR A 183 ? 0.2093 0.1497 0.2709 -0.0400 0.0250 -0.0689 183 THR A CG2 2610 N N . THR A 184 ? 0.2512 0.2047 0.2528 -0.0042 -0.0130 -0.0967 184 THR A N 2611 C CA . THR A 184 ? 0.2238 0.2439 0.2566 0.0059 -0.0053 -0.1483 184 THR A CA 2612 C C . THR A 184 ? 0.2186 0.2338 0.1937 0.0296 -0.0146 -0.1068 184 THR A C 2613 O O . THR A 184 ? 0.2108 0.1836 0.1752 -0.0261 0.0136 -0.0741 184 THR A O 2614 C CB . THR A 184 ? 0.2914 0.3278 0.2483 -0.0040 0.0189 -0.1500 184 THR A CB 2615 O OG1 . THR A 184 ? 0.2734 0.3158 0.2400 -0.0276 0.0706 -0.1032 184 THR A OG1 2616 C CG2 . THR A 184 ? 0.3859 0.5006 0.3484 0.0307 0.0934 -0.2254 184 THR A CG2 2623 N N . ALA A 185 ? 0.2212 0.1976 0.2243 -0.0221 -0.0185 -0.0920 185 ALA A N 2624 C CA . ALA A 185 ? 0.2046 0.2016 0.2316 -0.0455 -0.0095 -0.0699 185 ALA A CA 2625 C C . ALA A 185 ? 0.2142 0.1998 0.1737 -0.0415 0.0035 -0.0696 185 ALA A C 2626 O O . ALA A 185 ? 0.2331 0.2677 0.1967 -0.0634 -0.0060 -0.0869 185 ALA A O 2627 C CB . ALA A 185 ? 0.2523 0.1789 0.2950 -0.0597 -0.0362 -0.0889 185 ALA A CB 2633 N N . SER A 186 ? 0.1767 0.1923 0.1672 -0.0209 0.0058 -0.0704 186 SER A N 2634 C CA . SER A 186 ? 0.1871 0.2061 0.1109 -0.0174 0.0171 -0.0404 186 SER A CA 2635 C C . SER A 186 ? 0.1720 0.1603 0.1090 -0.0431 0.0166 -0.0382 186 SER A C 2636 O O . SER A 186 ? 0.1769 0.1658 0.1141 -0.0508 0.0223 -0.0352 186 SER A O 2637 C CB . SER A 186 ? 0.1740 0.2228 0.1471 -0.0382 0.0381 -0.0417 186 SER A CB 2638 O OG . SER A 186 ? 0.1630 0.2146 0.1748 -0.0433 0.0252 -0.0427 186 SER A OG 2643 N N . PRO A 187 ? 0.1423 0.1739 0.1115 -0.0484 0.0136 -0.0362 187 PRO A N 2644 C CA . PRO A 187 ? 0.1732 0.1714 0.1011 -0.0274 0.0140 -0.0293 187 PRO A CA 2645 C C . PRO A 187 ? 0.1473 0.1522 0.1056 -0.0381 0.0128 -0.0177 187 PRO A C 2646 O O . PRO A 187 ? 0.1582 0.1857 0.1113 -0.0676 0.0296 -0.0385 187 PRO A O 2647 C CB . PRO A 187 ? 0.2503 0.2134 0.1058 -0.0219 -0.0022 -0.0192 187 PRO A CB 2648 C CG . PRO A 187 ? 0.2646 0.2505 0.1248 -0.0197 0.0387 0.0020 187 PRO A CG 2649 C CD . PRO A 187 ? 0.2236 0.2363 0.0996 -0.0484 0.0226 -0.0298 187 PRO A CD 2657 N N . LEU A 188 ? 0.1295 0.1577 0.1015 -0.0421 0.0080 -0.0356 188 LEU A N 2658 C CA . LEU A 188 ? 0.1225 0.1497 0.1019 -0.0352 0.0078 -0.0274 188 LEU A CA 2659 C C . LEU A 188 ? 0.1075 0.1578 0.0913 -0.0268 0.0058 -0.0261 188 LEU A C 2660 O O . LEU A 188 ? 0.1337 0.1632 0.1111 -0.0297 -0.0166 -0.0265 188 LEU A O 2661 C CB . LEU A 188 ? 0.1424 0.1514 0.1051 -0.0378 0.0221 -0.0268 188 LEU A CB 2662 C CG . LEU A 188 ? 0.1586 0.1406 0.1172 -0.0358 0.0226 -0.0296 188 LEU A CG 2663 C CD1 . LEU A 188 ? 0.2104 0.1361 0.1934 -0.0298 0.0469 0.0092 188 LEU A CD1 2664 C CD2 . LEU A 188 ? 0.1585 0.1534 0.1202 -0.0191 0.0020 -0.0313 188 LEU A CD2 2676 N N . SER A 189 ? 0.1114 0.1310 0.0908 -0.0230 0.0058 -0.0142 189 SER A N 2677 C CA . SER A 189 ? 0.0914 0.1362 0.0922 -0.0157 0.0003 -0.0112 189 SER A CA 2678 C C . SER A 189 ? 0.1009 0.1384 0.0924 -0.0189 0.0002 -0.0126 189 SER A C 2679 O O . SER A 189 ? 0.1092 0.1507 0.1007 -0.0219 0.0102 0.0001 189 SER A O 2680 C CB . SER A 189 ? 0.0846 0.1294 0.1176 -0.0210 0.0063 -0.0138 189 SER A CB 2681 O OG . SER A 189 ? 0.1137 0.1466 0.1065 -0.0297 0.0010 -0.0132 189 SER A OG 2686 N N . VAL A 190 ? 0.0996 0.1439 0.1075 -0.0306 0.0087 -0.0082 190 VAL A N 2687 C CA . VAL A 190 ? 0.0851 0.1574 0.1278 -0.0201 0.0060 -0.0104 190 VAL A CA 2688 C C . VAL A 190 ? 0.0961 0.1502 0.1193 -0.0074 0.0042 0.0024 190 VAL A C 2689 O O . VAL A 190 ? 0.1464 0.1588 0.1171 -0.0128 0.0161 0.0062 190 VAL A O 2690 C CB . VAL A 190 ? 0.1101 0.1753 0.1226 -0.0236 -0.0067 -0.0153 190 VAL A CB 2691 C CG1 . VAL A 190 ? 0.1040 0.1878 0.1745 -0.0168 -0.0119 -0.0313 190 VAL A CG1 2692 C CG2 . VAL A 190 ? 0.1099 0.1983 0.1422 -0.0247 -0.0127 -0.0387 190 VAL A CG2 2702 N N . ILE A 191 ? 0.0979 0.1277 0.1278 -0.0189 0.0110 -0.0063 191 ILE A N 2703 C CA . ILE A 191 ? 0.1073 0.1417 0.1367 -0.0121 0.0170 -0.0074 191 ILE A CA 2704 C C . ILE A 191 ? 0.1157 0.1405 0.1314 -0.0126 0.0133 -0.0139 191 ILE A C 2705 O O . ILE A 191 ? 0.1046 0.1548 0.1511 -0.0178 0.0104 -0.0063 191 ILE A O 2706 C CB . ILE A 191 ? 0.1314 0.1483 0.1353 -0.0350 0.0056 -0.0262 191 ILE A CB 2707 C CG1 . ILE A 191 ? 0.1416 0.1657 0.1843 -0.0371 0.0027 -0.0159 191 ILE A CG1 2708 C CG2 . ILE A 191 ? 0.1560 0.2081 0.1639 -0.0216 0.0242 -0.0509 191 ILE A CG2 2709 C CD1 A ILE A 191 ? 0.1683 0.1356 0.1966 -0.0543 -0.0326 -0.0283 191 ILE A CD1 2710 C CD1 B ILE A 191 ? 0.1385 0.2485 0.1471 -0.0168 0.0214 -0.0478 191 ILE A CD1 2717 N N . THR A 192 ? 0.1191 0.1487 0.1719 -0.0025 0.0252 0.0016 192 THR A N 2718 C CA . THR A 192 ? 0.1179 0.1878 0.1670 -0.0066 0.0125 -0.0098 192 THR A CA 2719 C C . THR A 192 ? 0.1036 0.1648 0.1892 0.0034 0.0136 -0.0054 192 THR A C 2720 O O . THR A 192 ? 0.1282 0.1792 0.2298 -0.0140 0.0388 -0.0216 192 THR A O 2721 C CB . THR A 192 ? 0.1295 0.2253 0.1862 0.0008 0.0031 -0.0112 192 THR A CB 2722 O OG1 . THR A 192 ? 0.1994 0.2754 0.1892 0.0134 -0.0070 -0.0349 192 THR A OG1 2723 C CG2 . THR A 192 ? 0.1466 0.3285 0.1856 0.0384 -0.0092 0.0007 192 THR A CG2 2730 N N . VAL A 193 ? 0.0975 0.1707 0.1716 -0.0065 0.0130 -0.0355 193 VAL A N 2731 C CA . VAL A 193 ? 0.0925 0.1677 0.1791 -0.0115 0.0102 -0.0372 193 VAL A CA 2732 C C . VAL A 193 ? 0.1119 0.2035 0.1573 -0.0056 -0.0009 -0.0407 193 VAL A C 2733 O O . VAL A 193 ? 0.0989 0.1974 0.2484 -0.0105 -0.0058 -0.0831 193 VAL A O 2734 C CB . VAL A 193 ? 0.0940 0.1713 0.1594 -0.0119 0.0047 -0.0396 193 VAL A CB 2735 C CG1 . VAL A 193 ? 0.0901 0.1725 0.2032 0.0017 0.0099 -0.0293 193 VAL A CG1 2736 C CG2 . VAL A 193 ? 0.1047 0.1830 0.1725 -0.0071 0.0100 -0.0184 193 VAL A CG2 2746 N N . GLN A 194 ? 0.0824 0.2232 0.1928 -0.0114 0.0110 -0.0685 194 GLN A N 2747 C CA . GLN A 194 ? 0.0917 0.2333 0.2201 -0.0137 -0.0255 -0.0645 194 GLN A CA 2748 C C . GLN A 194 ? 0.0832 0.2252 0.2291 -0.0144 -0.0019 -0.0817 194 GLN A C 2749 O O . GLN A 194 ? 0.0675 0.2351 0.2236 -0.0121 -0.0017 -0.0802 194 GLN A O 2757 N N . SER A 195 ? 0.1037 0.2384 0.2144 -0.0253 0.0151 -0.0883 195 SER A N 2758 C CA . SER A 195 ? 0.1086 0.2533 0.2167 -0.0533 0.0049 -0.0926 195 SER A CA 2759 C C . SER A 195 ? 0.0625 0.2759 0.2187 -0.0117 -0.0119 -0.0756 195 SER A C 2760 O O . SER A 195 ? 0.0790 0.3290 0.2145 0.0242 -0.0148 -0.0961 195 SER A O 2761 C CB . SER A 195 ? 0.0887 0.3307 0.2784 -0.0750 0.0251 -0.0548 195 SER A CB 2762 O OG . SER A 195 ? 0.1088 0.2343 0.3010 0.0032 0.0136 -0.0843 195 SER A OG 2767 N N . GLY A 196 ? 0.0844 0.1870 0.2070 -0.0114 -0.0012 -0.0521 196 GLY A N 2768 C CA . GLY A 196 ? 0.0851 0.2318 0.2050 0.0038 -0.0053 -0.0689 196 GLY A CA 2769 C C . GLY A 196 ? 0.0868 0.2175 0.2069 0.0003 -0.0113 -0.0685 196 GLY A C 2770 O O . GLY A 196 ? 0.1567 0.2311 0.2046 0.0073 -0.0085 -0.0798 196 GLY A O 2774 N N . LYS A 197 ? 0.0699 0.2134 0.2098 -0.0035 -0.0190 -0.0644 197 LYS A N 2775 C CA . LYS A 197 ? 0.0763 0.1845 0.2140 0.0060 -0.0260 -0.0682 197 LYS A CA 2776 C C . LYS A 197 ? 0.0612 0.1737 0.1916 -0.0143 -0.0050 -0.0306 197 LYS A C 2777 O O . LYS A 197 ? 0.0933 0.1611 0.2529 0.0075 -0.0429 -0.0572 197 LYS A O 2778 C CB . LYS A 197 ? 0.0726 0.2434 0.2087 -0.0052 -0.0221 -0.0546 197 LYS A CB 2779 C CG . LYS A 197 ? 0.1106 0.2697 0.2684 0.0275 -0.0681 -0.0782 197 LYS A CG 2780 C CD . LYS A 197 ? 0.1583 0.4405 0.2686 0.0446 -0.0629 -0.0028 197 LYS A CD 2781 C CE . LYS A 197 ? 0.1997 0.4567 0.3152 0.0842 0.0613 0.0850 197 LYS A CE 2782 N NZ . LYS A 197 ? 0.5705 0.4137 0.5160 0.1325 0.2359 0.2183 197 LYS A NZ 2796 N N . ARG A 198 ? 0.0563 0.1719 0.1754 -0.0126 -0.0065 -0.0308 198 ARG A N 2797 C CA . ARG A 198 ? 0.0549 0.1525 0.1647 -0.0086 0.0045 -0.0364 198 ARG A CA 2798 C C . ARG A 198 ? 0.0637 0.1493 0.1489 -0.0033 -0.0010 -0.0340 198 ARG A C 2799 O O . ARG A 198 ? 0.0630 0.1468 0.1641 0.0023 -0.0050 -0.0192 198 ARG A O 2800 C CB . ARG A 198 ? 0.0637 0.1680 0.1586 -0.0087 0.0086 -0.0234 198 ARG A CB 2801 C CG . ARG A 198 ? 0.0817 0.1573 0.1846 -0.0086 0.0206 -0.0230 198 ARG A CG 2802 C CD . ARG A 198 ? 0.1398 0.1954 0.1852 0.0074 0.0253 -0.0202 198 ARG A CD 2803 N NE . ARG A 198 ? 0.1417 0.1977 0.1931 0.0090 0.0168 -0.0326 198 ARG A NE 2804 C CZ . ARG A 198 ? 0.1349 0.1923 0.2099 0.0104 0.0182 -0.0175 198 ARG A CZ 2805 N NH1 . ARG A 198 ? 0.1662 0.2142 0.1977 -0.0110 0.0363 -0.0232 198 ARG A NH1 2806 N NH2 . ARG A 198 ? 0.1783 0.2038 0.2123 0.0445 0.0514 -0.0038 198 ARG A NH2 2820 N N . TYR A 199 ? 0.0579 0.1525 0.1360 -0.0115 -0.0035 -0.0128 199 TYR A N 2821 C CA . TYR A 199 ? 0.0694 0.1364 0.1365 -0.0071 0.0049 -0.0106 199 TYR A CA 2822 C C . TYR A 199 ? 0.0647 0.1315 0.1353 -0.0116 0.0008 -0.0079 199 TYR A C 2823 O O . TYR A 199 ? 0.0767 0.1342 0.1454 -0.0217 -0.0083 0.0019 199 TYR A O 2824 C CB . TYR A 199 ? 0.0576 0.1450 0.1576 -0.0045 0.0076 -0.0375 199 TYR A CB 2825 C CG . TYR A 199 ? 0.0715 0.1383 0.1631 -0.0128 0.0015 -0.0416 199 TYR A CG 2826 C CD1 . TYR A 199 ? 0.1004 0.1776 0.1615 -0.0449 0.0032 -0.0338 199 TYR A CD1 2827 C CD2 . TYR A 199 ? 0.0743 0.1622 0.1817 -0.0127 0.0033 -0.0391 199 TYR A CD2 2828 C CE1 . TYR A 199 ? 0.1149 0.1739 0.1620 -0.0001 -0.0162 -0.0193 199 TYR A CE1 2829 C CE2 . TYR A 199 ? 0.0767 0.1656 0.1775 -0.0195 0.0018 -0.0400 199 TYR A CE2 2830 C CZ . TYR A 199 ? 0.0920 0.1800 0.1852 -0.0099 -0.0246 -0.0429 199 TYR A CZ 2831 O OH . TYR A 199 ? 0.0963 0.2106 0.2261 -0.0177 -0.0396 -0.0477 199 TYR A OH 2840 N N . ARG A 200 ? 0.0637 0.1254 0.1271 -0.0008 -0.0040 -0.0126 200 ARG A N 2841 C CA . ARG A 200 ? 0.0597 0.1347 0.1232 -0.0058 -0.0009 -0.0151 200 ARG A CA 2842 C C . ARG A 200 ? 0.0659 0.1240 0.1148 -0.0043 0.0008 -0.0141 200 ARG A C 2843 O O . ARG A 200 ? 0.0874 0.1296 0.1153 -0.0007 0.0040 0.0003 200 ARG A O 2844 C CB . ARG A 200 ? 0.0662 0.1167 0.1380 -0.0023 0.0000 -0.0147 200 ARG A CB 2845 C CG . ARG A 200 ? 0.0681 0.1244 0.1343 -0.0019 -0.0078 -0.0134 200 ARG A CG 2846 C CD . ARG A 200 ? 0.0766 0.1301 0.1892 -0.0053 -0.0311 0.0013 200 ARG A CD 2847 N NE . ARG A 200 ? 0.0608 0.1157 0.1486 0.0024 -0.0114 -0.0048 200 ARG A NE 2848 C CZ . ARG A 200 ? 0.0623 0.1284 0.1332 0.0059 0.0075 -0.0003 200 ARG A CZ 2849 N NH1 . ARG A 200 ? 0.0827 0.1439 0.1616 0.0243 0.0006 -0.0136 200 ARG A NH1 2850 N NH2 . ARG A 200 ? 0.0724 0.1125 0.1433 0.0051 -0.0008 -0.0164 200 ARG A NH2 2864 N N . MET A 201 ? 0.0578 0.1143 0.1132 -0.0040 0.0009 -0.0068 201 MET A N 2865 C CA . MET A 201 ? 0.0601 0.1209 0.1000 -0.0048 0.0021 -0.0069 201 MET A CA 2866 C C . MET A 201 ? 0.0696 0.1062 0.0972 -0.0089 0.0081 -0.0031 201 MET A C 2867 O O . MET A 201 ? 0.0662 0.1655 0.0996 -0.0216 0.0036 0.0009 201 MET A O 2868 C CB . MET A 201 ? 0.0697 0.1236 0.1199 -0.0064 0.0031 -0.0025 201 MET A CB 2869 C CG A MET A 201 ? 0.0896 0.0959 0.1244 -0.0165 0.0060 -0.0274 201 MET A CG 2870 C CG B MET A 201 ? 0.0627 0.1507 0.1830 0.0035 -0.0140 -0.0183 201 MET A CG 2871 S SD A MET A 201 ? 0.0632 0.1308 0.1330 -0.0078 0.0014 -0.0249 201 MET A SD 2872 S SD B MET A 201 ? 0.1198 0.1788 0.1930 -0.0226 -0.0422 -0.0207 201 MET A SD 2873 C CE A MET A 201 ? 0.0641 0.1216 0.1478 -0.0070 -0.0227 -0.0477 201 MET A CE 2874 C CE B MET A 201 ? 0.0950 0.1365 0.1386 -0.0037 -0.0496 -0.0111 201 MET A CE 2889 N N . ARG A 202 ? 0.0626 0.1085 0.0960 -0.0096 0.0038 -0.0067 202 ARG A N 2890 C CA . ARG A 202 ? 0.0606 0.1033 0.0896 -0.0026 0.0000 -0.0057 202 ARG A CA 2891 C C . ARG A 202 ? 0.0544 0.1083 0.0870 -0.0106 -0.0001 -0.0122 202 ARG A C 2892 O O . ARG A 202 ? 0.0739 0.1190 0.0909 0.0018 0.0032 -0.0056 202 ARG A O 2893 C CB . ARG A 202 ? 0.0664 0.1132 0.0998 -0.0046 -0.0006 -0.0069 202 ARG A CB 2894 C CG . ARG A 202 ? 0.0607 0.1099 0.1077 -0.0006 -0.0057 -0.0073 202 ARG A CG 2895 C CD . ARG A 202 ? 0.0713 0.1081 0.1217 -0.0028 0.0004 -0.0141 202 ARG A CD 2896 N NE . ARG A 202 ? 0.0572 0.1112 0.1396 0.0035 -0.0124 -0.0067 202 ARG A NE 2897 C CZ . ARG A 202 ? 0.0690 0.1041 0.1317 0.0000 0.0009 0.0057 202 ARG A CZ 2898 N NH1 . ARG A 202 ? 0.0693 0.1036 0.1298 0.0097 0.0015 -0.0107 202 ARG A NH1 2899 N NH2 . ARG A 202 ? 0.0755 0.1156 0.1499 0.0150 -0.0113 -0.0147 202 ARG A NH2 2913 N N . LEU A 203 ? 0.0669 0.0954 0.0883 -0.0097 0.0037 -0.0100 203 LEU A N 2914 C CA . LEU A 203 ? 0.0607 0.1041 0.0848 -0.0081 0.0037 -0.0108 203 LEU A CA 2915 C C . LEU A 203 ? 0.0742 0.0808 0.0799 0.0002 0.0017 -0.0062 203 LEU A C 2916 O O . LEU A 203 ? 0.0655 0.1083 0.0867 -0.0123 0.0049 -0.0160 203 LEU A O 2917 C CB . LEU A 203 ? 0.0664 0.1111 0.0946 -0.0101 0.0092 0.0017 203 LEU A CB 2918 C CG . LEU A 203 ? 0.0761 0.1002 0.1120 -0.0076 0.0015 -0.0062 203 LEU A CG 2919 C CD1 . LEU A 203 ? 0.1100 0.1044 0.1203 0.0000 0.0045 -0.0178 203 LEU A CD1 2920 C CD2 . LEU A 203 ? 0.0825 0.1161 0.1095 -0.0188 0.0119 -0.0025 203 LEU A CD2 2932 N N . VAL A 204 ? 0.0638 0.0974 0.0823 -0.0068 0.0050 -0.0135 204 VAL A N 2933 C CA . VAL A 204 ? 0.0650 0.0939 0.0901 -0.0152 0.0021 -0.0124 204 VAL A CA 2934 C C . VAL A 204 ? 0.0604 0.0894 0.0848 -0.0154 0.0063 -0.0089 204 VAL A C 2935 O O . VAL A 204 ? 0.0687 0.1009 0.0881 -0.0053 -0.0044 -0.0202 204 VAL A O 2936 C CB . VAL A 204 ? 0.0897 0.0918 0.1146 -0.0069 0.0101 -0.0021 204 VAL A CB 2937 C CG1 . VAL A 204 ? 0.1068 0.1008 0.1116 -0.0153 0.0242 -0.0037 204 VAL A CG1 2938 C CG2 . VAL A 204 ? 0.0963 0.1152 0.1248 -0.0037 0.0058 0.0104 204 VAL A CG2 2948 N N . SER A 205 ? 0.0710 0.0933 0.0733 -0.0078 0.0048 -0.0093 205 SER A N 2949 C CA . SER A 205 ? 0.0802 0.0899 0.0756 -0.0086 0.0087 -0.0032 205 SER A CA 2950 C C . SER A 205 ? 0.0573 0.0976 0.0817 -0.0131 0.0007 -0.0021 205 SER A C 2951 O O . SER A 205 ? 0.0850 0.1152 0.0833 -0.0276 0.0141 -0.0139 205 SER A O 2952 C CB . SER A 205 ? 0.0762 0.1043 0.0793 -0.0033 0.0090 -0.0043 205 SER A CB 2953 O OG . SER A 205 ? 0.0681 0.1163 0.0886 0.0010 0.0086 0.0008 205 SER A OG 2958 N N . ILE A 206 ? 0.0741 0.0986 0.0671 -0.0109 0.0060 -0.0027 206 ILE A N 2959 C CA . ILE A 206 ? 0.0722 0.0968 0.0740 -0.0080 0.0145 -0.0011 206 ILE A CA 2960 C C . ILE A 206 ? 0.0820 0.0958 0.0741 -0.0096 0.0138 -0.0097 206 ILE A C 2961 O O . ILE A 206 ? 0.0954 0.1149 0.0803 0.0027 0.0157 0.0013 206 ILE A O 2962 C CB . ILE A 206 ? 0.0949 0.1029 0.0768 -0.0037 0.0090 0.0026 206 ILE A CB 2963 C CG1 . ILE A 206 ? 0.1000 0.1031 0.0756 0.0017 -0.0017 -0.0064 206 ILE A CG1 2964 C CG2 . ILE A 206 ? 0.0792 0.1095 0.0982 -0.0067 -0.0084 0.0082 206 ILE A CG2 2965 C CD1 . ILE A 206 ? 0.1074 0.1234 0.0802 -0.0040 -0.0018 -0.0039 206 ILE A CD1 2977 N N . SER A 207 ? 0.0841 0.1089 0.0773 -0.0089 0.0065 0.0007 207 SER A N 2978 C CA . SER A 207 ? 0.0739 0.1011 0.0907 0.0017 0.0014 -0.0042 207 SER A CA 2979 C C . SER A 207 ? 0.0873 0.0999 0.0735 0.0000 0.0008 0.0021 207 SER A C 2980 O O . SER A 207 ? 0.0879 0.1061 0.0876 -0.0053 0.0057 -0.0090 207 SER A O 2981 C CB . SER A 207 ? 0.0808 0.1010 0.0975 0.0004 0.0091 -0.0001 207 SER A CB 2982 O OG . SER A 207 ? 0.0935 0.0969 0.1051 -0.0001 0.0168 0.0068 207 SER A OG 2987 N N . CYS A 208 ? 0.0808 0.1082 0.0830 -0.0023 0.0088 -0.0028 208 CYS A N 2988 C CA . CYS A 208 ? 0.0754 0.1057 0.1052 -0.0026 0.0126 0.0039 208 CYS A CA 2989 C C . CYS A 208 ? 0.0864 0.0996 0.0943 -0.0025 0.0136 -0.0092 208 CYS A C 2990 O O . CYS A 208 ? 0.0844 0.1201 0.1111 -0.0115 -0.0008 -0.0001 208 CYS A O 2991 C CB . CYS A 208 ? 0.0912 0.1546 0.1155 0.0098 0.0188 0.0069 208 CYS A CB 2992 S SG A CYS A 208 ? 0.0967 0.1129 0.0813 0.0142 0.0133 0.0031 208 CYS A SG 2993 S SG B CYS A 208 ? 0.2128 0.2246 0.1178 0.0363 0.0419 0.0328 208 CYS A SG 2996 N N . ASP A 209 ? 0.0772 0.1089 0.0863 -0.0092 0.0093 -0.0050 209 ASP A N 2997 C CA . ASP A 209 ? 0.0808 0.1050 0.1004 0.0081 0.0063 -0.0031 209 ASP A CA 2998 C C . ASP A 209 ? 0.0832 0.1083 0.0935 0.0023 0.0039 -0.0004 209 ASP A C 2999 O O . ASP A 209 ? 0.1020 0.1251 0.0933 -0.0205 0.0126 -0.0023 209 ASP A O 3006 N N . PRO A 210 ? 0.0940 0.1030 0.0875 -0.0081 0.0065 -0.0055 210 PRO A N 3007 C CA . PRO A 210 ? 0.0866 0.0929 0.1133 -0.0100 0.0078 0.0068 210 PRO A CA 3008 C C . PRO A 210 ? 0.0928 0.0946 0.0940 -0.0119 0.0042 -0.0012 210 PRO A C 3009 O O . PRO A 210 ? 0.0902 0.1057 0.1040 -0.0053 0.0078 -0.0011 210 PRO A O 3010 C CB . PRO A 210 ? 0.1114 0.0982 0.1134 -0.0112 0.0207 -0.0167 210 PRO A CB 3011 C CG . PRO A 210 ? 0.1220 0.1122 0.1112 -0.0195 0.0023 -0.0131 210 PRO A CG 3012 C CD . PRO A 210 ? 0.1088 0.1153 0.0901 0.0037 0.0024 -0.0103 210 PRO A CD 3020 N N . ASN A 211 ? 0.0921 0.0973 0.0881 -0.0096 0.0079 0.0017 211 ASN A N 3021 C CA . ASN A 211 ? 0.0921 0.0891 0.1011 -0.0106 0.0072 0.0068 211 ASN A CA 3022 C C . ASN A 211 ? 0.0991 0.0875 0.0853 -0.0108 0.0115 0.0032 211 ASN A C 3023 O O . ASN A 211 ? 0.0976 0.0872 0.1146 -0.0100 0.0089 -0.0057 211 ASN A O 3024 C CB . ASN A 211 ? 0.1005 0.1023 0.0960 -0.0199 -0.0013 0.0058 211 ASN A CB 3025 C CG . ASN A 211 ? 0.1208 0.1052 0.0952 -0.0169 0.0014 0.0026 211 ASN A CG 3026 O OD1 . ASN A 211 ? 0.1163 0.1218 0.1224 -0.0265 -0.0011 0.0187 211 ASN A OD1 3027 N ND2 . ASN A 211 ? 0.1173 0.1041 0.1006 -0.0156 -0.0110 0.0081 211 ASN A ND2 3034 N N . TYR A 212 ? 0.0949 0.0876 0.0784 -0.0122 0.0095 -0.0071 212 TYR A N 3035 C CA . TYR A 212 ? 0.0911 0.0881 0.0927 -0.0213 0.0079 0.0000 212 TYR A CA 3036 C C . TYR A 212 ? 0.1003 0.0914 0.0967 -0.0176 0.0129 -0.0084 212 TYR A C 3037 O O . TYR A 212 ? 0.1013 0.0947 0.1040 -0.0214 0.0198 -0.0140 212 TYR A O 3038 C CB . TYR A 212 ? 0.0877 0.0970 0.0918 -0.0129 0.0038 -0.0095 212 TYR A CB 3039 C CG . TYR A 212 ? 0.0908 0.0980 0.0938 -0.0127 0.0034 -0.0030 212 TYR A CG 3040 C CD1 . TYR A 212 ? 0.1094 0.0934 0.0915 -0.0148 0.0112 -0.0058 212 TYR A CD1 3041 C CD2 . TYR A 212 ? 0.1149 0.1005 0.0925 -0.0235 -0.0003 -0.0040 212 TYR A CD2 3042 C CE1 . TYR A 212 ? 0.1027 0.1031 0.0961 -0.0095 0.0088 -0.0072 212 TYR A CE1 3043 C CE2 . TYR A 212 ? 0.1262 0.1039 0.0931 -0.0287 0.0061 0.0125 212 TYR A CE2 3044 C CZ . TYR A 212 ? 0.0812 0.1283 0.0895 -0.0186 0.0099 -0.0037 212 TYR A CZ 3045 O OH . TYR A 212 ? 0.1207 0.1440 0.0929 -0.0357 0.0161 0.0075 212 TYR A OH 3054 N N . LEU A 213 ? 0.0949 0.0936 0.0956 -0.0120 0.0154 -0.0076 213 LEU A N 3055 C CA . LEU A 213 ? 0.1068 0.1020 0.0889 -0.0141 0.0139 -0.0037 213 LEU A CA 3056 C C . LEU A 213 ? 0.0920 0.0953 0.0945 -0.0234 0.0110 -0.0033 213 LEU A C 3057 O O . LEU A 213 ? 0.1074 0.0911 0.1055 -0.0190 0.0089 -0.0168 213 LEU A O 3058 C CB . LEU A 213 ? 0.1340 0.1134 0.0967 -0.0305 0.0121 0.0084 213 LEU A CB 3059 C CG . LEU A 213 ? 0.1282 0.1261 0.1212 -0.0031 0.0103 0.0310 213 LEU A CG 3060 C CD1 . LEU A 213 ? 0.2634 0.1466 0.1918 0.0005 -0.0425 0.0563 213 LEU A CD1 3061 C CD2 . LEU A 213 ? 0.2968 0.2123 0.1672 0.0679 -0.1088 -0.0242 213 LEU A CD2 3073 N N . PHE A 214 ? 0.0824 0.1007 0.0887 -0.0192 0.0090 -0.0047 214 PHE A N 3074 C CA . PHE A 214 ? 0.0866 0.0921 0.0981 -0.0176 0.0159 -0.0120 214 PHE A CA 3075 C C . PHE A 214 ? 0.0885 0.0935 0.0831 -0.0200 0.0155 -0.0051 214 PHE A C 3076 O O . PHE A 214 ? 0.0943 0.1056 0.0880 -0.0220 0.0154 -0.0144 214 PHE A O 3077 C CB . PHE A 214 ? 0.0979 0.1000 0.0873 -0.0319 0.0118 -0.0032 214 PHE A CB 3078 C CG . PHE A 214 ? 0.0798 0.0986 0.0948 -0.0307 0.0124 -0.0097 214 PHE A CG 3079 C CD1 . PHE A 214 ? 0.0914 0.0943 0.0966 -0.0182 0.0114 -0.0019 214 PHE A CD1 3080 C CD2 . PHE A 214 ? 0.0896 0.1026 0.1170 -0.0162 0.0077 -0.0006 214 PHE A CD2 3081 C CE1 . PHE A 214 ? 0.0900 0.1033 0.1025 -0.0263 0.0105 -0.0021 214 PHE A CE1 3082 C CE2 . PHE A 214 ? 0.0894 0.1137 0.1265 -0.0077 0.0105 -0.0024 214 PHE A CE2 3083 C CZ . PHE A 214 ? 0.0880 0.1035 0.1167 -0.0132 -0.0095 0.0013 214 PHE A CZ 3093 N N . SER A 215 ? 0.0897 0.1028 0.0866 -0.0261 0.0152 -0.0052 215 SER A N 3094 C CA . SER A 215 ? 0.0850 0.1094 0.0963 -0.0241 0.0182 -0.0155 215 SER A CA 3095 C C . SER A 215 ? 0.0986 0.1077 0.0935 -0.0296 0.0178 -0.0199 215 SER A C 3096 O O . SER A 215 ? 0.0915 0.1290 0.0940 -0.0343 0.0154 -0.0176 215 SER A O 3097 C CB . SER A 215 ? 0.1071 0.1166 0.0970 -0.0247 0.0189 -0.0078 215 SER A CB 3098 O OG . SER A 215 ? 0.1312 0.1091 0.1038 -0.0319 0.0241 -0.0095 215 SER A OG 3103 N N . ILE A 216 ? 0.0780 0.1171 0.1068 -0.0261 0.0130 -0.0167 216 ILE A N 3104 C CA . ILE A 216 ? 0.0906 0.1270 0.1090 -0.0330 0.0215 -0.0262 216 ILE A CA 3105 C C . ILE A 216 ? 0.0957 0.1336 0.1096 -0.0341 0.0218 -0.0336 216 ILE A C 3106 O O . ILE A 216 ? 0.1056 0.1600 0.1178 -0.0565 0.0334 -0.0426 216 ILE A O 3107 C CB . ILE A 216 ? 0.0828 0.1418 0.1263 -0.0370 0.0132 -0.0214 216 ILE A CB 3108 C CG1 . ILE A 216 ? 0.1053 0.1206 0.1490 -0.0350 0.0049 -0.0076 216 ILE A CG1 3109 C CG2 . ILE A 216 ? 0.0976 0.1475 0.1327 -0.0268 -0.0006 -0.0100 216 ILE A CG2 3110 C CD1 . ILE A 216 ? 0.1085 0.1415 0.2471 -0.0297 -0.0105 -0.0058 216 ILE A CD1 3122 N N . ASP A 217 ? 0.1071 0.1381 0.1035 -0.0557 0.0182 -0.0220 217 ASP A N 3123 C CA . ASP A 217 ? 0.1033 0.1258 0.1272 -0.0461 0.0300 -0.0268 217 ASP A CA 3124 C C . ASP A 217 ? 0.1178 0.1409 0.1283 -0.0546 0.0210 -0.0220 217 ASP A C 3125 O O . ASP A 217 ? 0.1021 0.1540 0.1322 -0.0462 0.0256 -0.0418 217 ASP A O 3126 C CB . ASP A 217 ? 0.1074 0.1365 0.1303 -0.0589 0.0166 -0.0225 217 ASP A CB 3127 C CG . ASP A 217 ? 0.1111 0.1387 0.1110 -0.0388 0.0221 -0.0088 217 ASP A CG 3128 O OD1 . ASP A 217 ? 0.1227 0.1347 0.1346 -0.0369 -0.0021 -0.0162 217 ASP A OD1 3129 O OD2 . ASP A 217 ? 0.1232 0.1347 0.1194 -0.0498 0.0181 -0.0199 217 ASP A OD2 3134 N N . GLY A 218 ? 0.1167 0.1732 0.1350 -0.0540 0.0397 -0.0130 218 GLY A N 3135 C CA . GLY A 218 ? 0.1273 0.1948 0.1634 -0.0619 0.0573 -0.0235 218 GLY A CA 3136 C C . GLY A 218 ? 0.0986 0.2466 0.1371 -0.0448 0.0288 -0.0425 218 GLY A C 3137 O O . GLY A 218 ? 0.1030 0.2283 0.1859 -0.0273 0.0473 -0.0265 218 GLY A O 3141 N N . HIS A 219 ? 0.1025 0.1838 0.1303 -0.0296 0.0284 -0.0459 219 HIS A N 3142 C CA . HIS A 219 ? 0.0971 0.1996 0.1290 -0.0160 0.0220 -0.0342 219 HIS A CA 3143 C C A HIS A 219 ? 0.0963 0.1612 0.1090 -0.0277 0.0335 -0.0163 219 HIS A C 3144 C C B HIS A 219 ? 0.1517 0.2469 0.1353 -0.0170 0.0084 -0.0736 219 HIS A C 3145 O O A HIS A 219 ? 0.0987 0.1755 0.0896 -0.0270 0.0189 -0.0144 219 HIS A O 3146 O O B HIS A 219 ? 0.1543 0.3573 0.2350 0.0000 0.0007 -0.1392 219 HIS A O 3147 C CB . HIS A 219 ? 0.0909 0.1648 0.1446 -0.0244 -0.0019 -0.0400 219 HIS A CB 3148 C CG . HIS A 219 ? 0.0986 0.1631 0.1351 -0.0209 0.0122 -0.0427 219 HIS A CG 3149 N ND1 . HIS A 219 ? 0.0921 0.1669 0.1314 -0.0375 0.0249 -0.0452 219 HIS A ND1 3150 C CD2 . HIS A 219 ? 0.1035 0.1639 0.1449 -0.0292 0.0137 -0.0348 219 HIS A CD2 3151 C CE1 . HIS A 219 ? 0.1082 0.1622 0.1306 -0.0302 0.0293 -0.0313 219 HIS A CE1 3152 N NE2 . HIS A 219 ? 0.0785 0.1840 0.1396 -0.0322 0.0142 -0.0250 219 HIS A NE2 3161 N N . ASP A 220 ? 0.1002 0.1680 0.1384 -0.0467 0.0246 -0.0440 220 ASP A N 3162 C CA . ASP A 220 ? 0.1418 0.1628 0.1347 -0.0603 -0.0004 -0.0168 220 ASP A CA 3163 C C . ASP A 220 ? 0.1079 0.1443 0.1205 -0.0348 0.0154 -0.0229 220 ASP A C 3164 O O . ASP A 220 ? 0.1125 0.1657 0.1440 -0.0311 0.0051 -0.0121 220 ASP A O 3165 C CB A ASP A 220 ? 0.1955 0.1910 0.1277 -0.0679 -0.0156 -0.0038 220 ASP A CB 3166 C CB B ASP A 220 ? 0.2118 0.2277 0.1130 -0.1387 0.0358 -0.0339 220 ASP A CB 3167 C CG A ASP A 220 ? 0.1296 0.2986 0.1523 -0.0826 0.0238 -0.0536 220 ASP A CG 3168 C CG B ASP A 220 ? 0.2394 0.2703 0.1439 -0.1063 0.0634 0.0110 220 ASP A CG 3169 O OD1 A ASP A 220 ? 0.1537 0.2569 0.1706 -0.0495 0.0395 -0.0779 220 ASP A OD1 3170 O OD1 B ASP A 220 ? 0.2087 0.2719 0.2150 -0.1102 0.0193 0.0468 220 ASP A OD1 3171 O OD2 A ASP A 220 ? 0.2262 0.3611 0.1733 -0.0617 0.0671 -0.0047 220 ASP A OD2 3172 O OD2 B ASP A 220 ? 0.3284 0.3529 0.2032 -0.0695 0.0959 -0.0522 220 ASP A OD2 3179 N N . MET A 221 ? 0.1023 0.1192 0.1056 -0.0205 0.0101 -0.0130 221 MET A N 3180 C CA . MET A 221 ? 0.1037 0.1167 0.1037 -0.0141 0.0070 -0.0103 221 MET A CA 3181 C C . MET A 221 ? 0.1109 0.1169 0.1075 -0.0036 0.0198 -0.0136 221 MET A C 3182 O O . MET A 221 ? 0.1513 0.1208 0.1058 -0.0007 -0.0067 -0.0165 221 MET A O 3183 C CB . MET A 221 ? 0.1131 0.1115 0.1098 -0.0182 0.0171 -0.0176 221 MET A CB 3184 C CG . MET A 221 ? 0.1057 0.1125 0.1039 -0.0284 0.0144 -0.0114 221 MET A CG 3185 S SD . MET A 221 ? 0.1218 0.1336 0.1152 -0.0147 0.0256 -0.0084 221 MET A SD 3186 C CE . MET A 221 ? 0.1226 0.1332 0.1200 -0.0057 0.0246 -0.0105 221 MET A CE 3196 N N . THR A 222 ? 0.0748 0.1243 0.0984 -0.0171 0.0151 -0.0154 222 THR A N 3197 C CA . THR A 222 ? 0.0712 0.1073 0.1138 -0.0041 0.0085 -0.0150 222 THR A CA 3198 C C . THR A 222 ? 0.0793 0.1104 0.1020 -0.0120 0.0149 -0.0241 222 THR A C 3199 O O . THR A 222 ? 0.0774 0.1069 0.1099 -0.0115 0.0133 -0.0144 222 THR A O 3200 C CB . THR A 222 ? 0.0722 0.1286 0.1334 -0.0099 0.0235 -0.0146 222 THR A CB 3201 O OG1 . THR A 222 ? 0.0896 0.1541 0.1522 -0.0362 0.0366 -0.0311 222 THR A OG1 3202 C CG2 . THR A 222 ? 0.0870 0.1414 0.1493 -0.0147 0.0268 -0.0238 222 THR A CG2 3209 N N . ILE A 223 ? 0.0746 0.1146 0.1010 -0.0131 0.0178 -0.0118 223 ILE A N 3210 C CA . ILE A 223 ? 0.0670 0.1046 0.0975 -0.0068 0.0177 -0.0159 223 ILE A CA 3211 C C . ILE A 223 ? 0.0634 0.1116 0.0973 -0.0041 0.0089 -0.0156 223 ILE A C 3212 O O . ILE A 223 ? 0.0909 0.1158 0.1008 -0.0039 0.0178 -0.0152 223 ILE A O 3213 C CB . ILE A 223 ? 0.0798 0.1039 0.0925 -0.0036 0.0111 -0.0085 223 ILE A CB 3214 C CG1 . ILE A 223 ? 0.0763 0.1137 0.1229 -0.0029 0.0000 -0.0180 223 ILE A CG1 3215 C CG2 . ILE A 223 ? 0.0701 0.1156 0.0965 -0.0041 0.0091 -0.0119 223 ILE A CG2 3216 C CD1 . ILE A 223 ? 0.0950 0.1180 0.1365 0.0029 0.0068 -0.0122 223 ILE A CD1 3228 N N . ILE A 224 ? 0.0624 0.1041 0.1004 -0.0019 0.0168 -0.0130 224 ILE A N 3229 C CA . ILE A 224 ? 0.0695 0.1084 0.0912 -0.0025 0.0073 -0.0145 224 ILE A CA 3230 C C . ILE A 224 ? 0.0627 0.1024 0.1024 0.0018 0.0028 -0.0155 224 ILE A C 3231 O O . ILE A 224 ? 0.0632 0.1006 0.1106 -0.0001 0.0053 -0.0150 224 ILE A O 3232 C CB . ILE A 224 ? 0.0592 0.1178 0.1114 0.0032 0.0040 -0.0225 224 ILE A CB 3233 C CG1 . ILE A 224 ? 0.0769 0.1373 0.1238 0.0094 -0.0049 -0.0117 224 ILE A CG1 3234 C CG2 . ILE A 224 ? 0.0687 0.1391 0.1299 0.0016 0.0170 -0.0193 224 ILE A CG2 3235 C CD1 . ILE A 224 ? 0.0901 0.1474 0.1295 0.0114 -0.0056 -0.0102 224 ILE A CD1 3247 N N . GLU A 225 ? 0.0578 0.1062 0.0971 -0.0068 0.0072 -0.0116 225 GLU A N 3248 C CA . GLU A 225 ? 0.0564 0.0910 0.0999 -0.0007 0.0019 -0.0112 225 GLU A CA 3249 C C . GLU A 225 ? 0.0626 0.0924 0.0863 0.0014 0.0107 -0.0045 225 GLU A C 3250 O O . GLU A 225 ? 0.0654 0.0962 0.0918 -0.0042 0.0051 -0.0142 225 GLU A O 3251 C CB . GLU A 225 ? 0.0683 0.1044 0.0980 -0.0027 -0.0016 -0.0083 225 GLU A CB 3252 C CG . GLU A 225 ? 0.0639 0.1169 0.1082 -0.0048 -0.0061 -0.0019 225 GLU A CG 3253 C CD . GLU A 225 ? 0.0633 0.1139 0.1050 -0.0001 -0.0084 -0.0053 225 GLU A CD 3254 O OE1 . GLU A 225 ? 0.0644 0.1283 0.1055 -0.0057 -0.0037 0.0079 225 GLU A OE1 3255 O OE2 . GLU A 225 ? 0.0735 0.1044 0.1064 -0.0030 -0.0048 -0.0068 225 GLU A OE2 3262 N N . VAL A 226 ? 0.0607 0.0824 0.0909 -0.0001 0.0045 -0.0093 226 VAL A N 3263 C CA . VAL A 226 ? 0.0666 0.0820 0.0833 0.0000 0.0064 -0.0139 226 VAL A CA 3264 C C . VAL A 226 ? 0.0632 0.0858 0.0840 0.0031 0.0001 -0.0075 226 VAL A C 3265 O O . VAL A 226 ? 0.0651 0.0878 0.0880 0.0008 -0.0018 -0.0120 226 VAL A O 3266 C CB . VAL A 226 ? 0.0755 0.0867 0.0804 0.0027 0.0050 -0.0076 226 VAL A CB 3267 C CG1 . VAL A 226 ? 0.0694 0.0969 0.0941 -0.0005 0.0045 -0.0034 226 VAL A CG1 3268 C CG2 . VAL A 226 ? 0.0811 0.1055 0.0826 0.0002 0.0087 0.0032 226 VAL A CG2 3278 N N . ASP A 227 ? 0.0582 0.0909 0.0775 -0.0051 0.0018 -0.0042 227 ASP A N 3279 C CA . ASP A 227 ? 0.0535 0.0924 0.0851 -0.0046 0.0018 -0.0062 227 ASP A CA 3280 C C . ASP A 227 ? 0.0630 0.0906 0.0895 0.0048 0.0017 -0.0014 227 ASP A C 3281 O O . ASP A 227 ? 0.0638 0.0834 0.1157 -0.0023 -0.0044 -0.0085 227 ASP A O 3282 C CB . ASP A 227 ? 0.0593 0.0895 0.0927 -0.0027 -0.0039 -0.0014 227 ASP A CB 3283 C CG . ASP A 227 ? 0.0567 0.0901 0.0832 0.0028 0.0049 -0.0004 227 ASP A CG 3284 O OD1 . ASP A 227 ? 0.0611 0.0834 0.0895 0.0014 0.0023 -0.0075 227 ASP A OD1 3285 O OD2 . ASP A 227 ? 0.0759 0.0868 0.0827 -0.0093 -0.0037 -0.0082 227 ASP A OD2 3290 N N . GLY A 228 ? 0.0690 0.0909 0.0958 -0.0025 0.0006 0.0021 228 GLY A N 3291 C CA . GLY A 228 ? 0.0696 0.1042 0.1133 0.0032 -0.0110 0.0064 228 GLY A CA 3292 C C . GLY A 228 ? 0.0605 0.0962 0.1340 0.0008 -0.0009 0.0018 228 GLY A C 3293 O O . GLY A 228 ? 0.1266 0.1089 0.1673 0.0335 0.0273 0.0104 228 GLY A O 3297 N N . VAL A 229 ? 0.0586 0.0918 0.1065 0.0087 0.0056 -0.0030 229 VAL A N 3298 C CA . VAL A 229 ? 0.0704 0.1031 0.1184 0.0049 0.0051 -0.0190 229 VAL A CA 3299 C C . VAL A 229 ? 0.0625 0.1040 0.1168 0.0056 0.0023 -0.0214 229 VAL A C 3300 O O . VAL A 229 ? 0.0705 0.1001 0.1288 -0.0019 0.0114 -0.0222 229 VAL A O 3301 C CB . VAL A 229 ? 0.0689 0.1073 0.1118 -0.0001 0.0028 -0.0195 229 VAL A CB 3302 C CG1 . VAL A 229 ? 0.0819 0.1589 0.1266 0.0047 -0.0002 -0.0408 229 VAL A CG1 3303 C CG2 . VAL A 229 ? 0.0777 0.1256 0.1240 -0.0096 0.0066 -0.0255 229 VAL A CG2 3313 N N . ASN A 230 ? 0.0665 0.0916 0.1146 0.0037 0.0070 -0.0186 230 ASN A N 3314 C CA . ASN A 230 ? 0.0640 0.1061 0.1150 0.0038 0.0006 -0.0276 230 ASN A CA 3315 C C . ASN A 230 ? 0.0745 0.1144 0.0987 0.0092 0.0029 -0.0271 230 ASN A C 3316 O O . ASN A 230 ? 0.0885 0.1083 0.1081 0.0073 -0.0037 -0.0222 230 ASN A O 3317 C CB . ASN A 230 ? 0.0725 0.1230 0.1174 0.0182 0.0043 -0.0203 230 ASN A CB 3318 C CG . ASN A 230 ? 0.0657 0.1316 0.1294 0.0122 0.0019 -0.0160 230 ASN A CG 3319 O OD1 . ASN A 230 ? 0.0798 0.1402 0.1247 0.0105 0.0095 -0.0097 230 ASN A OD1 3320 N ND2 . ASN A 230 ? 0.0937 0.1296 0.1402 0.0237 0.0061 -0.0061 230 ASN A ND2 3327 N N . SER A 231 ? 0.0747 0.1157 0.1029 -0.0009 0.0104 -0.0247 231 SER A N 3328 C CA . SER A 231 ? 0.0718 0.1200 0.0988 0.0050 0.0087 -0.0242 231 SER A CA 3329 C C . SER A 231 ? 0.0782 0.1019 0.1105 0.0061 0.0048 -0.0242 231 SER A C 3330 O O . SER A 231 ? 0.0776 0.1362 0.1190 0.0100 0.0092 -0.0182 231 SER A O 3331 C CB . SER A 231 ? 0.0741 0.1153 0.1061 0.0069 0.0053 -0.0184 231 SER A CB 3332 O OG . SER A 231 ? 0.0878 0.1162 0.1084 0.0002 0.0058 -0.0203 231 SER A OG 3337 N N . GLN A 232 ? 0.0862 0.1289 0.0996 0.0052 0.0112 -0.0226 232 GLN A N 3338 C CA . GLN A 232 ? 0.0907 0.1289 0.1092 0.0044 0.0167 -0.0162 232 GLN A CA 3339 C C . GLN A 232 ? 0.0816 0.1368 0.0981 0.0052 0.0172 -0.0143 232 GLN A C 3340 O O . GLN A 232 ? 0.0763 0.1241 0.1231 -0.0055 0.0143 -0.0196 232 GLN A O 3341 C CB A GLN A 232 ? 0.0843 0.1579 0.0996 -0.0200 0.0135 -0.0341 232 GLN A CB 3342 C CB B GLN A 232 ? 0.1368 0.1863 0.1034 0.0062 0.0228 -0.0175 232 GLN A CB 3343 C CG A GLN A 232 ? 0.1027 0.1731 0.1056 -0.0146 0.0282 -0.0507 232 GLN A CG 3344 C CG B GLN A 232 ? 0.1453 0.2032 0.1468 -0.0009 0.0223 -0.0276 232 GLN A CG 3345 C CD A GLN A 232 ? 0.1271 0.1858 0.0994 -0.0322 0.0434 -0.0427 232 GLN A CD 3346 C CD B GLN A 232 ? 0.1794 0.2221 0.1991 0.0187 0.0582 -0.0159 232 GLN A CD 3347 O OE1 A GLN A 232 ? 0.2171 0.2468 0.0946 -0.0483 -0.0065 0.0023 232 GLN A OE1 3348 O OE1 B GLN A 232 ? 0.2146 0.3088 0.2800 -0.0206 0.0860 -0.0710 232 GLN A OE1 3349 N NE2 A GLN A 232 ? 0.3849 0.2286 0.1430 -0.0798 -0.0602 -0.0464 232 GLN A NE2 3350 N NE2 B GLN A 232 ? 0.3737 0.1556 0.2665 0.0509 0.0919 -0.0241 232 GLN A NE2 3361 N N . GLN A 233 ? 0.0767 0.1309 0.1177 -0.0022 0.0251 -0.0231 233 GLN A N 3362 C CA . GLN A 233 ? 0.0821 0.1255 0.1097 -0.0042 0.0244 -0.0209 233 GLN A CA 3363 C C . GLN A 233 ? 0.0819 0.1275 0.1136 -0.0099 0.0207 -0.0143 233 GLN A C 3364 O O . GLN A 233 ? 0.1250 0.1554 0.1065 0.0078 0.0281 -0.0138 233 GLN A O 3372 N N . LEU A 234 ? 0.0892 0.1186 0.1064 -0.0123 0.0225 -0.0138 234 LEU A N 3373 C CA . LEU A 234 ? 0.0921 0.1200 0.1013 -0.0120 0.0130 -0.0133 234 LEU A CA 3374 C C . LEU A 234 ? 0.1013 0.1136 0.1058 -0.0043 0.0131 -0.0119 234 LEU A C 3375 O O . LEU A 234 ? 0.1043 0.1244 0.0998 -0.0260 0.0180 -0.0151 234 LEU A O 3376 C CB . LEU A 234 ? 0.0908 0.1245 0.0984 -0.0100 0.0115 -0.0127 234 LEU A CB 3377 C CG . LEU A 234 ? 0.1122 0.1291 0.1063 -0.0230 0.0056 -0.0120 234 LEU A CG 3378 C CD1 . LEU A 234 ? 0.1175 0.1832 0.1237 -0.0019 0.0091 0.0112 234 LEU A CD1 3379 C CD2 . LEU A 234 ? 0.1136 0.1393 0.1075 -0.0060 -0.0012 -0.0002 234 LEU A CD2 3391 N N . THR A 235 ? 0.1040 0.1250 0.1032 -0.0201 0.0316 -0.0228 235 THR A N 3392 C CA . THR A 235 ? 0.1044 0.1329 0.1109 -0.0251 0.0195 -0.0213 235 THR A CA 3393 C C . THR A 235 ? 0.1057 0.1156 0.1182 -0.0150 0.0365 -0.0073 235 THR A C 3394 O O . THR A 235 ? 0.1573 0.1464 0.1085 -0.0060 0.0451 -0.0023 235 THR A O 3395 C CB . THR A 235 ? 0.1080 0.1407 0.1544 -0.0186 0.0368 -0.0267 235 THR A CB 3396 O OG1 . THR A 235 ? 0.1004 0.1655 0.1956 -0.0093 0.0233 -0.0326 235 THR A OG1 3397 C CG2 . THR A 235 ? 0.1087 0.1525 0.2153 -0.0311 0.0337 -0.0364 235 THR A CG2 3404 N N . VAL A 236 ? 0.1126 0.1114 0.1010 -0.0283 0.0263 -0.0103 236 VAL A N 3405 C CA . VAL A 236 ? 0.1205 0.1026 0.1024 -0.0198 0.0172 -0.0037 236 VAL A CA 3406 C C . VAL A 236 ? 0.1280 0.1226 0.0989 -0.0266 0.0193 0.0025 236 VAL A C 3407 O O . VAL A 236 ? 0.1349 0.1177 0.1269 -0.0174 0.0075 -0.0138 236 VAL A O 3408 C CB . VAL A 236 ? 0.1206 0.1063 0.1029 -0.0195 0.0252 -0.0106 236 VAL A CB 3409 C CG1 . VAL A 236 ? 0.1271 0.1319 0.1023 -0.0241 0.0154 -0.0162 236 VAL A CG1 3410 C CG2 . VAL A 236 ? 0.1235 0.1216 0.1087 -0.0214 0.0201 -0.0033 236 VAL A CG2 3420 N N . ASP A 237 ? 0.1143 0.1022 0.1100 -0.0216 0.0194 -0.0046 237 ASP A N 3421 C CA . ASP A 237 ? 0.1005 0.1177 0.1169 -0.0246 0.0162 -0.0096 237 ASP A CA 3422 C C . ASP A 237 ? 0.1099 0.1090 0.1006 -0.0320 0.0216 -0.0048 237 ASP A C 3423 O O . ASP A 237 ? 0.1292 0.1133 0.1081 -0.0352 0.0252 -0.0161 237 ASP A O 3424 C CB . ASP A 237 ? 0.0999 0.1389 0.1454 -0.0356 0.0246 -0.0192 237 ASP A CB 3425 C CG . ASP A 237 ? 0.1522 0.1322 0.1419 -0.0458 0.0204 -0.0120 237 ASP A CG 3426 O OD1 . ASP A 237 ? 0.1494 0.1288 0.1315 -0.0395 0.0231 -0.0035 237 ASP A OD1 3427 O OD2 . ASP A 237 ? 0.1703 0.1580 0.2409 -0.0803 -0.0191 0.0337 237 ASP A OD2 3432 N N . GLN A 238 ? 0.1053 0.1165 0.0982 -0.0433 0.0249 -0.0117 238 GLN A N 3433 C CA . GLN A 238 ? 0.1127 0.1094 0.0917 -0.0351 0.0222 -0.0095 238 GLN A CA 3434 C C . GLN A 238 ? 0.1185 0.1040 0.0819 -0.0341 0.0121 -0.0044 238 GLN A C 3435 O O . GLN A 238 ? 0.1196 0.1237 0.0859 -0.0360 0.0199 -0.0095 238 GLN A O 3436 C CB . GLN A 238 ? 0.1265 0.1170 0.0931 -0.0345 0.0179 -0.0079 238 GLN A CB 3437 C CG . GLN A 238 ? 0.1269 0.1233 0.1017 -0.0217 0.0182 -0.0042 238 GLN A CG 3438 C CD . GLN A 238 ? 0.1214 0.1162 0.1226 -0.0276 0.0305 0.0078 238 GLN A CD 3439 O OE1 . GLN A 238 ? 0.1512 0.1494 0.1397 -0.0231 0.0119 0.0218 238 GLN A OE1 3440 N NE2 . GLN A 238 ? 0.1442 0.1173 0.1419 -0.0234 0.0292 0.0094 238 GLN A NE2 3449 N N . ILE A 239 ? 0.1136 0.1013 0.0819 -0.0354 0.0158 -0.0129 239 ILE A N 3450 C CA . ILE A 239 ? 0.1013 0.1040 0.0839 -0.0349 0.0108 -0.0049 239 ILE A CA 3451 C C . ILE A 239 ? 0.1078 0.0992 0.0834 -0.0255 0.0162 -0.0036 239 ILE A C 3452 O O . ILE A 239 ? 0.1093 0.1225 0.0801 -0.0141 0.0101 -0.0175 239 ILE A O 3453 C CB . ILE A 239 ? 0.1022 0.1066 0.0975 -0.0222 0.0204 -0.0135 239 ILE A CB 3454 C CG1 . ILE A 239 ? 0.1045 0.1260 0.1084 -0.0152 0.0242 -0.0134 239 ILE A CG1 3455 C CG2 . ILE A 239 ? 0.1095 0.1091 0.1147 -0.0266 0.0268 -0.0089 239 ILE A CG2 3456 C CD1 . ILE A 239 ? 0.1291 0.1339 0.1509 0.0019 0.0141 -0.0159 239 ILE A CD1 3468 N N . GLN A 240 ? 0.1029 0.1118 0.0805 -0.0275 0.0112 -0.0058 240 GLN A N 3469 C CA . GLN A 240 ? 0.0944 0.1120 0.0846 -0.0332 0.0068 -0.0013 240 GLN A CA 3470 C C . GLN A 240 ? 0.1059 0.1075 0.0847 -0.0284 0.0044 -0.0022 240 GLN A C 3471 O O . GLN A 240 ? 0.1440 0.1244 0.0853 -0.0507 0.0139 -0.0181 240 GLN A O 3472 C CB . GLN A 240 ? 0.1128 0.1266 0.1011 -0.0197 0.0117 0.0133 240 GLN A CB 3473 C CG . GLN A 240 ? 0.1389 0.1643 0.1219 -0.0102 0.0037 0.0254 240 GLN A CG 3474 C CD . GLN A 240 ? 0.1734 0.2243 0.1114 0.0159 0.0243 0.0515 240 GLN A CD 3475 O OE1 . GLN A 240 ? 0.2034 0.3613 0.1086 0.0600 0.0038 0.0422 240 GLN A OE1 3476 N NE2 . GLN A 240 ? 0.1537 0.2419 0.1589 0.0175 0.0336 0.0632 240 GLN A NE2 3483 N N . ILE A 241 ? 0.0870 0.0908 0.0824 -0.0134 0.0105 -0.0056 241 ILE A N 3484 C CA . ILE A 241 ? 0.0916 0.0851 0.0781 -0.0178 0.0110 -0.0017 241 ILE A CA 3485 C C . ILE A 241 ? 0.0848 0.0834 0.0752 -0.0097 0.0008 -0.0048 241 ILE A C 3486 O O . ILE A 241 ? 0.0842 0.0942 0.0932 -0.0195 0.0118 -0.0136 241 ILE A O 3487 C CB . ILE A 241 ? 0.0875 0.0870 0.0813 -0.0063 0.0088 -0.0082 241 ILE A CB 3488 C CG1 . ILE A 241 ? 0.0767 0.0928 0.0929 -0.0120 0.0112 -0.0059 241 ILE A CG1 3489 C CG2 . ILE A 241 ? 0.0892 0.0974 0.0988 -0.0118 -0.0030 -0.0148 241 ILE A CG2 3490 C CD1 . ILE A 241 ? 0.0802 0.1077 0.0948 -0.0122 0.0095 0.0012 241 ILE A CD1 3502 N N . PHE A 242 ? 0.0791 0.0821 0.0787 -0.0083 0.0074 -0.0026 242 PHE A N 3503 C CA . PHE A 242 ? 0.0705 0.0783 0.0852 -0.0068 0.0044 -0.0059 242 PHE A CA 3504 C C . PHE A 242 ? 0.0654 0.0754 0.0872 -0.0062 0.0057 -0.0109 242 PHE A C 3505 O O . PHE A 242 ? 0.0764 0.0880 0.0854 -0.0013 0.0084 -0.0069 242 PHE A O 3506 C CB . PHE A 242 ? 0.0769 0.1070 0.0840 0.0004 -0.0011 0.0001 242 PHE A CB 3507 C CG . PHE A 242 ? 0.0862 0.0923 0.0860 0.0000 -0.0021 -0.0114 242 PHE A CG 3508 C CD1 . PHE A 242 ? 0.0855 0.1098 0.1015 -0.0052 -0.0025 0.0081 242 PHE A CD1 3509 C CD2 . PHE A 242 ? 0.1275 0.1215 0.0969 0.0332 -0.0230 -0.0201 242 PHE A CD2 3510 C CE1 . PHE A 242 ? 0.1090 0.1135 0.0987 -0.0151 -0.0097 0.0104 242 PHE A CE1 3511 C CE2 . PHE A 242 ? 0.1690 0.1103 0.1081 0.0363 -0.0347 -0.0099 242 PHE A CE2 3512 C CZ . PHE A 242 ? 0.1903 0.1025 0.1045 -0.0031 -0.0205 -0.0026 242 PHE A CZ 3522 N N . ALA A 243 ? 0.0750 0.0783 0.0805 0.0016 0.0058 -0.0019 243 ALA A N 3523 C CA . ALA A 243 ? 0.0756 0.0820 0.0793 -0.0018 0.0068 -0.0057 243 ALA A CA 3524 C C . ALA A 243 ? 0.0688 0.0894 0.0732 -0.0031 0.0098 0.0000 243 ALA A C 3525 O O . ALA A 243 ? 0.0877 0.0888 0.0738 -0.0011 -0.0045 -0.0012 243 ALA A O 3526 C CB . ALA A 243 ? 0.0834 0.0908 0.0933 0.0111 0.0101 -0.0018 243 ALA A CB 3532 N N . ALA A 244 ? 0.0646 0.0850 0.0738 -0.0078 0.0075 -0.0024 244 ALA A N 3533 C CA . ALA A 244 ? 0.0732 0.0793 0.0765 -0.0070 0.0055 0.0030 244 ALA A CA 3534 C C . ALA A 244 ? 0.0688 0.0839 0.0734 -0.0044 -0.0019 0.0012 244 ALA A C 3535 O O . ALA A 244 ? 0.0736 0.0845 0.0820 0.0025 0.0054 -0.0014 244 ALA A O 3536 C CB . ALA A 244 ? 0.0670 0.0922 0.0797 -0.0057 0.0087 -0.0006 244 ALA A CB 3542 N N . GLN A 245 ? 0.0587 0.0821 0.0747 0.0000 0.0047 -0.0057 245 GLN A N 3543 C CA . GLN A 245 ? 0.0588 0.0807 0.0752 -0.0032 0.0078 -0.0063 245 GLN A CA 3544 C C . GLN A 245 ? 0.0623 0.0817 0.0735 -0.0020 0.0049 -0.0027 245 GLN A C 3545 O O . GLN A 245 ? 0.0646 0.0861 0.0764 -0.0028 0.0002 -0.0074 245 GLN A O 3546 C CB . GLN A 245 ? 0.0665 0.0884 0.0689 -0.0069 0.0065 -0.0046 245 GLN A CB 3547 C CG . GLN A 245 ? 0.0718 0.0898 0.0729 -0.0006 0.0039 -0.0020 245 GLN A CG 3548 C CD . GLN A 245 ? 0.0720 0.0860 0.0725 0.0004 0.0045 -0.0064 245 GLN A CD 3549 O OE1 . GLN A 245 ? 0.0889 0.0839 0.0749 -0.0071 0.0100 -0.0018 245 GLN A OE1 3550 N NE2 . GLN A 245 ? 0.0790 0.0852 0.0732 -0.0065 0.0049 0.0013 245 GLN A NE2 3559 N N . ARG A 246 ? 0.0639 0.0859 0.0718 -0.0003 -0.0013 -0.0064 246 ARG A N 3560 C CA . ARG A 246 ? 0.0592 0.0790 0.0821 -0.0070 0.0031 -0.0051 246 ARG A CA 3561 C C . ARG A 246 ? 0.0658 0.0867 0.0831 0.0040 0.0050 -0.0102 246 ARG A C 3562 O O . ARG A 246 ? 0.0674 0.0920 0.0869 -0.0038 0.0044 -0.0145 246 ARG A O 3563 C CB . ARG A 246 ? 0.0526 0.0974 0.0893 -0.0035 -0.0025 0.0000 246 ARG A CB 3564 C CG . ARG A 246 ? 0.0813 0.0942 0.0905 -0.0027 -0.0025 0.0020 246 ARG A CG 3565 C CD . ARG A 246 ? 0.0845 0.0830 0.0835 -0.0054 0.0075 0.0013 246 ARG A CD 3566 N NE . ARG A 246 ? 0.0698 0.0877 0.0998 0.0022 -0.0055 0.0030 246 ARG A NE 3567 C CZ . ARG A 246 ? 0.0666 0.0810 0.0801 0.0009 0.0085 0.0004 246 ARG A CZ 3568 N NH1 . ARG A 246 ? 0.0723 0.0818 0.0928 0.0024 0.0051 -0.0077 246 ARG A NH1 3569 N NH2 . ARG A 246 ? 0.0687 0.0894 0.0920 0.0048 -0.0011 -0.0029 246 ARG A NH2 3583 N N . TYR A 247 ? 0.0602 0.0924 0.0851 -0.0070 0.0031 -0.0156 247 TYR A N 3584 C CA . TYR A 247 ? 0.0593 0.1049 0.0879 -0.0046 0.0102 -0.0130 247 TYR A CA 3585 C C . TYR A 247 ? 0.0566 0.1294 0.0894 -0.0021 0.0037 -0.0127 247 TYR A C 3586 O O . TYR A 247 ? 0.0860 0.2004 0.0967 0.0334 -0.0064 -0.0520 247 TYR A O 3587 C CB . TYR A 247 ? 0.0662 0.1115 0.1009 -0.0216 0.0079 -0.0170 247 TYR A CB 3588 C CG . TYR A 247 ? 0.0743 0.1032 0.0870 -0.0182 0.0141 -0.0058 247 TYR A CG 3589 C CD1 . TYR A 247 ? 0.0802 0.1178 0.0894 -0.0032 0.0183 -0.0080 247 TYR A CD1 3590 C CD2 . TYR A 247 ? 0.0888 0.1060 0.0840 -0.0082 0.0144 -0.0104 247 TYR A CD2 3591 C CE1 . TYR A 247 ? 0.1024 0.1045 0.0845 -0.0027 0.0092 -0.0091 247 TYR A CE1 3592 C CE2 . TYR A 247 ? 0.0834 0.0940 0.1024 -0.0102 0.0183 -0.0085 247 TYR A CE2 3593 C CZ . TYR A 247 ? 0.0940 0.0936 0.0816 -0.0144 0.0084 -0.0058 247 TYR A CZ 3594 O OH . TYR A 247 ? 0.0865 0.0994 0.0987 -0.0156 0.0005 -0.0082 247 TYR A OH 3603 N N . SER A 248 ? 0.0628 0.0981 0.0920 -0.0099 0.0024 -0.0125 248 SER A N 3604 C CA . SER A 248 ? 0.0573 0.1120 0.0904 -0.0075 0.0040 -0.0120 248 SER A CA 3605 C C . SER A 248 ? 0.0599 0.1007 0.0947 -0.0047 0.0080 -0.0090 248 SER A C 3606 O O . SER A 248 ? 0.0674 0.1134 0.0910 -0.0113 0.0122 -0.0105 248 SER A O 3607 C CB . SER A 248 ? 0.0598 0.1128 0.1058 -0.0074 -0.0027 -0.0053 248 SER A CB 3608 O OG . SER A 248 ? 0.0645 0.1130 0.1083 -0.0065 -0.0026 0.0000 248 SER A OG 3613 N N . PHE A 249 ? 0.0587 0.1050 0.0986 -0.0148 0.0058 -0.0126 249 PHE A N 3614 C CA . PHE A 249 ? 0.0583 0.1226 0.1017 -0.0160 0.0120 -0.0041 249 PHE A CA 3615 C C . PHE A 249 ? 0.0657 0.1145 0.1024 -0.0163 0.0046 -0.0155 249 PHE A C 3616 O O . PHE A 249 ? 0.0641 0.1373 0.1029 -0.0174 0.0009 -0.0062 249 PHE A O 3617 C CB . PHE A 249 ? 0.0652 0.1260 0.1073 -0.0124 0.0092 0.0081 249 PHE A CB 3618 C CG . PHE A 249 ? 0.0682 0.1093 0.1105 -0.0091 0.0057 -0.0007 249 PHE A CG 3619 C CD1 . PHE A 249 ? 0.0709 0.1181 0.1159 -0.0104 0.0083 -0.0053 249 PHE A CD1 3620 C CD2 . PHE A 249 ? 0.0645 0.1130 0.1427 -0.0156 0.0124 -0.0047 249 PHE A CD2 3621 C CE1 . PHE A 249 ? 0.0848 0.1219 0.1144 -0.0167 -0.0009 -0.0110 249 PHE A CE1 3622 C CE2 . PHE A 249 ? 0.0808 0.1189 0.1367 -0.0073 0.0262 -0.0062 249 PHE A CE2 3623 C CZ . PHE A 249 ? 0.0912 0.1175 0.1199 -0.0113 0.0014 -0.0069 249 PHE A CZ 3633 N N . VAL A 250 ? 0.0551 0.1200 0.1203 -0.0046 0.0092 -0.0119 250 VAL A N 3634 C CA . VAL A 250 ? 0.0576 0.1282 0.1402 -0.0098 0.0053 -0.0226 250 VAL A CA 3635 C C . VAL A 250 ? 0.0569 0.1214 0.1306 -0.0152 0.0120 -0.0117 250 VAL A C 3636 O O . VAL A 250 ? 0.0790 0.1224 0.1391 -0.0186 0.0134 -0.0056 250 VAL A O 3637 C CB . VAL A 250 ? 0.0731 0.1389 0.1493 0.0035 0.0037 -0.0355 250 VAL A CB 3638 C CG1 . VAL A 250 ? 0.0595 0.1648 0.2018 0.0034 0.0091 -0.0486 250 VAL A CG1 3639 C CG2 . VAL A 250 ? 0.0748 0.1458 0.1818 0.0056 -0.0015 -0.0410 250 VAL A CG2 3649 N N . LEU A 251 ? 0.0640 0.1201 0.1304 -0.0120 0.0017 -0.0152 251 LEU A N 3650 C CA . LEU A 251 ? 0.0686 0.1203 0.1458 -0.0237 0.0114 -0.0251 251 LEU A CA 3651 C C . LEU A 251 ? 0.0767 0.1250 0.1475 -0.0235 0.0121 -0.0254 251 LEU A C 3652 O O . LEU A 251 ? 0.0697 0.1367 0.1645 -0.0182 0.0001 -0.0079 251 LEU A O 3653 C CB . LEU A 251 ? 0.0763 0.1291 0.1495 -0.0160 0.0036 -0.0154 251 LEU A CB 3654 C CG A LEU A 251 ? 0.1001 0.1351 0.1468 -0.0134 0.0085 -0.0410 251 LEU A CG 3655 C CG B LEU A 251 ? 0.1270 0.1605 0.1768 -0.0295 -0.0055 -0.0484 251 LEU A CG 3656 C CD1 A LEU A 251 ? 0.0868 0.1121 0.1887 -0.0319 0.0315 -0.0385 251 LEU A CD1 3657 C CD1 B LEU A 251 ? 0.1252 0.2027 0.1875 -0.0553 -0.0046 -0.0554 251 LEU A CD1 3658 C CD2 A LEU A 251 ? 0.1311 0.1445 0.1627 -0.0274 0.0235 -0.0542 251 LEU A CD2 3659 C CD2 B LEU A 251 ? 0.1958 0.2433 0.2028 -0.0358 0.0188 -0.0099 251 LEU A CD2 3678 N N . ASN A 252 ? 0.0696 0.1451 0.1548 -0.0204 0.0168 -0.0163 252 ASN A N 3679 C CA . ASN A 252 ? 0.0649 0.1749 0.1631 -0.0265 0.0187 -0.0304 252 ASN A CA 3680 C C . ASN A 252 ? 0.0870 0.1619 0.1547 -0.0400 0.0217 -0.0180 252 ASN A C 3681 O O . ASN A 252 ? 0.1339 0.1662 0.1901 -0.0623 0.0107 -0.0071 252 ASN A O 3682 C CB . ASN A 252 ? 0.1161 0.2395 0.1452 -0.0233 0.0267 -0.0337 252 ASN A CB 3683 C CG A ASN A 252 ? 0.0823 0.1439 0.1818 -0.0058 0.0292 0.0050 252 ASN A CG 3684 C CG B ASN A 252 ? 0.1199 0.1468 0.1641 -0.0242 0.0351 -0.0275 252 ASN A CG 3685 O OD1 A ASN A 252 ? 0.1109 0.1573 0.2013 0.0124 -0.0041 -0.0366 252 ASN A OD1 3686 O OD1 B ASN A 252 ? 0.0783 0.2223 0.1920 -0.0038 0.0292 -0.0439 252 ASN A OD1 3687 N ND2 A ASN A 252 ? 0.1094 0.1865 0.1824 -0.0061 0.0179 0.0040 252 ASN A ND2 3688 N ND2 B ASN A 252 ? 0.1330 0.4139 0.2190 0.0630 0.0467 -0.0919 252 ASN A ND2 3691 N N . ALA A 253 ? 0.0812 0.1499 0.1487 -0.0246 0.0173 -0.0199 253 ALA A N 3692 C CA . ALA A 253 ? 0.0879 0.1602 0.1459 -0.0252 0.0121 -0.0281 253 ALA A CA 3693 C C . ALA A 253 ? 0.0899 0.1747 0.1794 -0.0374 0.0279 -0.0677 253 ALA A C 3694 O O . ALA A 253 ? 0.0929 0.1999 0.2099 -0.0284 0.0139 -0.0593 253 ALA A O 3695 C CB . ALA A 253 ? 0.1007 0.1809 0.1561 -0.0121 0.0072 -0.0257 253 ALA A CB 3701 N N . ASN A 254 ? 0.1112 0.1830 0.1703 -0.0534 0.0321 -0.0385 254 ASN A N 3702 C CA . ASN A 254 ? 0.1322 0.2074 0.2039 -0.0815 0.0621 -0.0730 254 ASN A CA 3703 C C . ASN A 254 ? 0.1278 0.2077 0.1868 -0.0860 0.0543 -0.0599 254 ASN A C 3704 O O . ASN A 254 ? 0.1952 0.2082 0.2290 -0.1035 0.1005 -0.0847 254 ASN A O 3705 C CB . ASN A 254 ? 0.2303 0.2127 0.2098 -0.1095 0.0998 -0.0933 254 ASN A CB 3706 C CG . ASN A 254 ? 0.2461 0.2580 0.1872 -0.1534 0.0745 -0.0893 254 ASN A CG 3707 O OD1 . ASN A 254 ? 0.2422 0.2216 0.1618 -0.1181 0.0224 -0.0312 254 ASN A OD1 3708 N ND2 . ASN A 254 ? 0.3446 0.3059 0.1759 -0.0909 0.0465 -0.0812 254 ASN A ND2 3715 N N . GLN A 255 ? 0.1108 0.1828 0.1867 -0.0526 0.0394 -0.0541 255 GLN A N 3716 C CA . GLN A 255 ? 0.1013 0.1753 0.1847 -0.0467 0.0258 -0.0422 255 GLN A CA 3717 C C . GLN A 255 ? 0.0738 0.1860 0.2053 -0.0426 0.0395 -0.0544 255 GLN A C 3718 O O . GLN A 255 ? 0.0988 0.1701 0.2027 -0.0360 0.0144 -0.0438 255 GLN A O 3719 C CB . GLN A 255 ? 0.1096 0.1963 0.1666 -0.0356 0.0316 -0.0396 255 GLN A CB 3720 C CG . GLN A 255 ? 0.1483 0.2081 0.1621 -0.0504 0.0268 -0.0111 255 GLN A CG 3721 C CD . GLN A 255 ? 0.1226 0.2391 0.1751 -0.0811 0.0228 -0.0128 255 GLN A CD 3722 O OE1 . GLN A 255 ? 0.1504 0.2263 0.2003 -0.0471 0.0372 -0.0118 255 GLN A OE1 3723 N NE2 . GLN A 255 ? 0.1564 0.2631 0.1670 -0.0840 0.0397 -0.0279 255 GLN A NE2 3732 N N . PRO A 256 ? 0.1044 0.1687 0.1897 -0.0439 0.0376 -0.0504 256 PRO A N 3733 C CA . PRO A 256 ? 0.1199 0.1892 0.1890 -0.0607 0.0133 -0.0636 256 PRO A CA 3734 C C . PRO A 256 ? 0.0980 0.1893 0.1971 -0.0251 0.0237 -0.0674 256 PRO A C 3735 O O . PRO A 256 ? 0.0972 0.2123 0.1831 -0.0355 0.0356 -0.0549 256 PRO A O 3736 C CB . PRO A 256 ? 0.1251 0.1951 0.2162 -0.0576 0.0309 -0.0507 256 PRO A CB 3737 C CG . PRO A 256 ? 0.1201 0.2093 0.2278 -0.0537 0.0335 -0.0466 256 PRO A CG 3738 C CD . PRO A 256 ? 0.1101 0.1692 0.2263 -0.0410 0.0382 -0.0300 256 PRO A CD 3746 N N . VAL A 257 ? 0.0875 0.1920 0.2188 -0.0413 0.0324 -0.0536 257 VAL A N 3747 C CA . VAL A 257 ? 0.1092 0.1978 0.2109 -0.0435 0.0014 -0.0612 257 VAL A CA 3748 C C . VAL A 257 ? 0.0998 0.2063 0.2147 -0.0411 0.0034 -0.0644 257 VAL A C 3749 O O . VAL A 257 ? 0.0977 0.1974 0.2562 -0.0445 0.0330 -0.0776 257 VAL A O 3750 C CB . VAL A 257 ? 0.1164 0.2200 0.2080 -0.0444 0.0044 -0.0469 257 VAL A CB 3751 C CG1 . VAL A 257 ? 0.1165 0.2729 0.1971 -0.0284 -0.0226 -0.0398 257 VAL A CG1 3752 C CG2 . VAL A 257 ? 0.1266 0.2426 0.2176 -0.0113 0.0176 -0.0266 257 VAL A CG2 3762 N N . GLY A 258 ? 0.0960 0.1913 0.1816 -0.0192 0.0045 -0.0433 258 GLY A N 3763 C CA . GLY A 258 ? 0.1185 0.1961 0.1746 -0.0520 0.0208 -0.0551 258 GLY A CA 3764 C C . GLY A 258 ? 0.1034 0.1634 0.1724 -0.0276 -0.0016 -0.0593 258 GLY A C 3765 O O . GLY A 258 ? 0.1052 0.1663 0.1859 -0.0246 0.0070 -0.0420 258 GLY A O 3769 N N . ASN A 259 ? 0.0966 0.1616 0.1508 -0.0295 0.0046 -0.0439 259 ASN A N 3770 C CA . ASN A 259 ? 0.1049 0.1423 0.1493 -0.0378 0.0123 -0.0287 259 ASN A CA 3771 C C . ASN A 259 ? 0.1095 0.1496 0.1385 -0.0352 0.0119 -0.0403 259 ASN A C 3772 O O . ASN A 259 ? 0.1229 0.1425 0.1666 -0.0423 0.0035 -0.0308 259 ASN A O 3773 C CB . ASN A 259 ? 0.1085 0.1837 0.1465 -0.0167 0.0055 -0.0450 259 ASN A CB 3774 C CG . ASN A 259 ? 0.1168 0.1884 0.1466 -0.0234 0.0143 -0.0452 259 ASN A CG 3775 O OD1 . ASN A 259 ? 0.2072 0.2072 0.1468 -0.0386 -0.0064 -0.0225 259 ASN A OD1 3776 N ND2 . ASN A 259 ? 0.1454 0.2499 0.1472 -0.0422 -0.0255 -0.0473 259 ASN A ND2 3783 N N . TYR A 260 ? 0.0929 0.1399 0.1231 -0.0367 0.0195 -0.0248 260 TYR A N 3784 C CA . TYR A 260 ? 0.1129 0.1373 0.1142 -0.0411 0.0170 -0.0195 260 TYR A CA 3785 C C . TYR A 260 ? 0.1030 0.1174 0.1197 -0.0288 0.0181 -0.0309 260 TYR A C 3786 O O . TYR A 260 ? 0.1142 0.1271 0.1250 -0.0299 0.0217 -0.0117 260 TYR A O 3787 C CB . TYR A 260 ? 0.0896 0.1377 0.1350 -0.0185 0.0149 -0.0329 260 TYR A CB 3788 C CG . TYR A 260 ? 0.0968 0.1438 0.1269 -0.0253 0.0155 -0.0409 260 TYR A CG 3789 C CD1 . TYR A 260 ? 0.1039 0.1353 0.1365 -0.0332 0.0151 -0.0273 260 TYR A CD1 3790 C CD2 . TYR A 260 ? 0.1164 0.1651 0.1202 -0.0356 0.0237 -0.0364 260 TYR A CD2 3791 C CE1 . TYR A 260 ? 0.0980 0.1638 0.1477 -0.0282 0.0142 -0.0384 260 TYR A CE1 3792 C CE2 . TYR A 260 ? 0.1144 0.1757 0.1365 -0.0498 0.0213 -0.0260 260 TYR A CE2 3793 C CZ . TYR A 260 ? 0.1066 0.1581 0.1473 -0.0363 0.0309 -0.0384 260 TYR A CZ 3794 O OH . TYR A 260 ? 0.1075 0.1979 0.1949 -0.0454 0.0474 -0.0406 260 TYR A OH 3803 N N . TRP A 261 ? 0.1039 0.1116 0.1205 -0.0321 0.0255 -0.0241 261 TRP A N 3804 C CA . TRP A 261 ? 0.0971 0.1214 0.1052 -0.0290 0.0204 -0.0181 261 TRP A CA 3805 C C . TRP A 261 ? 0.1026 0.1222 0.0918 -0.0382 0.0144 -0.0122 261 TRP A C 3806 O O . TRP A 261 ? 0.1162 0.1310 0.1021 -0.0386 0.0250 -0.0189 261 TRP A O 3807 C CB . TRP A 261 ? 0.1076 0.1136 0.1276 -0.0358 0.0170 -0.0098 261 TRP A CB 3808 C CG . TRP A 261 ? 0.1096 0.1220 0.1193 -0.0429 0.0196 -0.0123 261 TRP A CG 3809 C CD1 . TRP A 261 ? 0.1215 0.1191 0.1316 -0.0427 0.0211 -0.0105 261 TRP A CD1 3810 C CD2 . TRP A 261 ? 0.1056 0.1222 0.1223 -0.0270 0.0173 -0.0179 261 TRP A CD2 3811 N NE1 . TRP A 261 ? 0.1378 0.1196 0.1617 -0.0453 0.0167 -0.0128 261 TRP A NE1 3812 C CE2 . TRP A 261 ? 0.1113 0.1262 0.1441 -0.0316 0.0158 -0.0288 261 TRP A CE2 3813 C CE3 . TRP A 261 ? 0.1341 0.1283 0.1150 -0.0326 0.0247 -0.0156 261 TRP A CE3 3814 C CZ2 . TRP A 261 ? 0.1321 0.1353 0.1498 -0.0307 0.0002 -0.0399 261 TRP A CZ2 3815 C CZ3 . TRP A 261 ? 0.1656 0.1621 0.1206 -0.0566 0.0230 -0.0142 261 TRP A CZ3 3816 C CH2 . TRP A 261 ? 0.1462 0.1535 0.1357 -0.0273 0.0150 -0.0395 261 TRP A CH2 3826 N N . ILE A 262 ? 0.0874 0.1150 0.1021 -0.0328 0.0183 -0.0157 262 ILE A N 3827 C CA . ILE A 262 ? 0.0889 0.1143 0.1029 -0.0250 0.0038 -0.0124 262 ILE A CA 3828 C C . ILE A 262 ? 0.1093 0.1117 0.0887 -0.0353 0.0202 -0.0151 262 ILE A C 3829 O O . ILE A 262 ? 0.1009 0.1402 0.0898 -0.0218 0.0091 -0.0197 262 ILE A O 3830 C CB . ILE A 262 ? 0.0919 0.1143 0.1049 -0.0309 0.0115 -0.0175 262 ILE A CB 3831 C CG1 . ILE A 262 ? 0.1063 0.1214 0.1275 -0.0298 0.0060 -0.0219 262 ILE A CG1 3832 C CG2 . ILE A 262 ? 0.0848 0.1218 0.1126 -0.0251 0.0037 -0.0167 262 ILE A CG2 3833 C CD1 . ILE A 262 ? 0.1102 0.1347 0.1651 -0.0279 0.0015 0.0006 262 ILE A CD1 3845 N N . ARG A 263 ? 0.0917 0.1099 0.0931 -0.0263 0.0115 -0.0188 263 ARG A N 3846 C CA . ARG A 263 ? 0.0927 0.1111 0.0957 -0.0267 0.0202 -0.0127 263 ARG A CA 3847 C C . ARG A 263 ? 0.0895 0.1038 0.0893 -0.0219 0.0054 -0.0105 263 ARG A C 3848 O O . ARG A 263 ? 0.0960 0.1188 0.0971 -0.0305 0.0159 -0.0199 263 ARG A O 3849 C CB . ARG A 263 ? 0.1139 0.1105 0.1074 -0.0294 0.0141 0.0011 263 ARG A CB 3850 C CG . ARG A 263 ? 0.1209 0.1341 0.1399 -0.0402 0.0237 0.0092 263 ARG A CG 3851 C CD . ARG A 263 ? 0.1190 0.1466 0.1459 -0.0419 0.0181 0.0148 263 ARG A CD 3852 N NE . ARG A 263 ? 0.1427 0.1397 0.1365 -0.0536 0.0267 0.0010 263 ARG A NE 3853 C CZ . ARG A 263 ? 0.1390 0.1467 0.1411 -0.0355 0.0185 0.0030 263 ARG A CZ 3854 N NH1 . ARG A 263 ? 0.1445 0.1900 0.1904 -0.0469 0.0464 -0.0239 263 ARG A NH1 3855 N NH2 . ARG A 263 ? 0.1479 0.1356 0.1486 -0.0507 0.0284 -0.0039 263 ARG A NH2 3869 N N . ALA A 264 ? 0.0922 0.0981 0.0914 -0.0222 0.0149 -0.0125 264 ALA A N 3870 C CA . ALA A 264 ? 0.0809 0.0999 0.0957 -0.0177 0.0186 -0.0097 264 ALA A CA 3871 C C . ALA A 264 ? 0.0917 0.0923 0.0985 -0.0242 0.0154 -0.0108 264 ALA A C 3872 O O . ALA A 264 ? 0.1026 0.1028 0.1057 -0.0144 0.0170 -0.0072 264 ALA A O 3873 C CB . ALA A 264 ? 0.0848 0.0957 0.1114 -0.0157 0.0057 -0.0084 264 ALA A CB 3879 N N . GLN A 265 ? 0.1077 0.0975 0.0974 -0.0156 0.0101 -0.0070 265 GLN A N 3880 C CA . GLN A 265 ? 0.1107 0.0908 0.1173 -0.0130 0.0120 -0.0088 265 GLN A CA 3881 C C . GLN A 265 ? 0.1126 0.0789 0.1070 -0.0003 0.0114 -0.0053 265 GLN A C 3882 O O . GLN A 265 ? 0.1336 0.0860 0.0956 -0.0080 0.0053 -0.0082 265 GLN A O 3883 C CB . GLN A 265 ? 0.1182 0.0995 0.1454 -0.0150 0.0314 -0.0071 265 GLN A CB 3884 C CG . GLN A 265 ? 0.1625 0.1050 0.1484 -0.0125 0.0198 0.0067 265 GLN A CG 3885 C CD . GLN A 265 ? 0.1541 0.1084 0.1627 -0.0216 0.0067 -0.0089 265 GLN A CD 3886 O OE1 . GLN A 265 ? 0.1575 0.1108 0.2038 -0.0275 -0.0019 -0.0132 265 GLN A OE1 3887 N NE2 . GLN A 265 ? 0.1568 0.1139 0.1460 -0.0234 0.0128 -0.0037 265 GLN A NE2 3896 N N . PRO A 266 ? 0.1142 0.0886 0.1077 -0.0091 0.0136 -0.0119 266 PRO A N 3897 C CA . PRO A 266 ? 0.1193 0.0930 0.1116 -0.0113 0.0093 -0.0128 266 PRO A CA 3898 C C . PRO A 266 ? 0.1173 0.0940 0.1167 -0.0010 0.0237 -0.0114 266 PRO A C 3899 O O . PRO A 266 ? 0.1275 0.0970 0.1410 -0.0025 -0.0002 -0.0067 266 PRO A O 3900 C CB . PRO A 266 ? 0.1090 0.1003 0.1083 -0.0019 0.0039 0.0002 266 PRO A CB 3901 C CG . PRO A 266 ? 0.1129 0.1220 0.0965 0.0030 0.0034 -0.0117 266 PRO A CG 3902 C CD . PRO A 266 ? 0.1198 0.1118 0.1187 -0.0151 0.0118 -0.0194 266 PRO A CD 3910 N N . ASN A 267 ? 0.1209 0.0976 0.1107 0.0001 -0.0036 -0.0085 267 ASN A N 3911 C CA . ASN A 267 ? 0.1361 0.1036 0.1231 -0.0065 0.0041 0.0085 267 ASN A CA 3912 C C . ASN A 267 ? 0.1418 0.1172 0.1414 0.0132 -0.0067 0.0064 267 ASN A C 3913 O O . ASN A 267 ? 0.2398 0.1907 0.1543 0.0935 0.0201 0.0293 267 ASN A O 3914 C CB . ASN A 267 ? 0.1500 0.1176 0.1077 -0.0131 -0.0043 0.0054 267 ASN A CB 3915 C CG . ASN A 267 ? 0.0956 0.1063 0.1490 0.0110 0.0057 0.0068 267 ASN A CG 3916 O OD1 . ASN A 267 ? 0.1379 0.1003 0.1476 -0.0024 0.0231 0.0144 267 ASN A OD1 3917 N ND2 . ASN A 267 ? 0.1209 0.1460 0.2005 0.0126 -0.0266 -0.0016 267 ASN A ND2 3924 N N . SER A 268 ? 0.1342 0.1242 0.1321 0.0189 0.0156 0.0171 268 SER A N 3925 C CA . SER A 268 ? 0.1481 0.1156 0.1429 0.0154 0.0127 0.0094 268 SER A CA 3926 C C . SER A 268 ? 0.1550 0.1237 0.1465 0.0251 0.0305 0.0083 268 SER A C 3927 O O . SER A 268 ? 0.1525 0.1448 0.1426 0.0075 0.0147 -0.0082 268 SER A O 3928 C CB . SER A 268 ? 0.1485 0.1676 0.1688 -0.0046 0.0206 -0.0095 268 SER A CB 3929 O OG . SER A 268 ? 0.2028 0.1864 0.1698 -0.0414 0.0009 0.0392 268 SER A OG 3934 N N . GLY A 269 ? 0.1876 0.1348 0.1578 0.0150 0.0435 -0.0074 269 GLY A N 3935 C CA . GLY A 269 ? 0.1818 0.1355 0.1653 0.0140 0.0352 -0.0186 269 GLY A CA 3936 C C . GLY A 269 ? 0.2042 0.1279 0.1435 0.0158 0.0167 -0.0178 269 GLY A C 3937 O O . GLY A 269 ? 0.1992 0.1494 0.1658 0.0186 0.0174 0.0134 269 GLY A O 3941 N N . GLY A 270 ? 0.1819 0.1417 0.1532 0.0009 0.0078 -0.0050 270 GLY A N 3942 C CA . GLY A 270 ? 0.1761 0.1462 0.1643 0.0040 0.0121 -0.0226 270 GLY A CA 3943 C C . GLY A 270 ? 0.1571 0.1162 0.1721 -0.0009 0.0053 -0.0174 270 GLY A C 3944 O O . GLY A 270 ? 0.1471 0.1269 0.1759 0.0124 0.0080 -0.0186 270 GLY A O 3948 N N . GLN A 271 ? 0.2079 0.1105 0.1848 -0.0001 0.0297 -0.0086 271 GLN A N 3949 C CA . GLN A 271 ? 0.1966 0.1288 0.1932 -0.0005 0.0006 -0.0265 271 GLN A CA 3950 C C . GLN A 271 ? 0.2073 0.1084 0.1889 -0.0143 0.0055 -0.0156 271 GLN A C 3951 O O . GLN A 271 ? 0.2384 0.1486 0.2761 -0.0227 0.0244 -0.0805 271 GLN A O 3959 N N . GLY A 272 ? 0.1840 0.1044 0.1553 -0.0229 0.0063 -0.0032 272 GLY A N 3960 C CA . GLY A 272 ? 0.1857 0.1132 0.1846 -0.0301 0.0167 0.0049 272 GLY A CA 3961 C C . GLY A 272 ? 0.1704 0.0968 0.1549 -0.0243 0.0315 -0.0089 272 GLY A C 3962 O O . GLY A 272 ? 0.1606 0.1082 0.1563 -0.0364 0.0325 -0.0031 272 GLY A O 3966 N N . PHE A 273 ? 0.1894 0.1165 0.1370 -0.0499 0.0263 0.0018 273 PHE A N 3967 C CA . PHE A 273 ? 0.1884 0.1225 0.1298 -0.0571 0.0358 -0.0056 273 PHE A CA 3968 C C . PHE A 273 ? 0.2030 0.1094 0.1618 -0.0612 0.0176 -0.0036 273 PHE A C 3969 O O . PHE A 273 ? 0.2006 0.1639 0.1587 -0.0724 0.0103 -0.0042 273 PHE A O 3970 C CB . PHE A 273 ? 0.1649 0.1469 0.1508 -0.0470 0.0171 -0.0043 273 PHE A CB 3971 C CG . PHE A 273 ? 0.1488 0.1356 0.1356 -0.0156 0.0308 0.0097 273 PHE A CG 3972 C CD1 . PHE A 273 ? 0.2037 0.1378 0.1439 -0.0253 0.0336 0.0129 273 PHE A CD1 3973 C CD2 . PHE A 273 ? 0.1394 0.1349 0.1384 -0.0070 0.0430 0.0028 273 PHE A CD2 3974 C CE1 . PHE A 273 ? 0.2030 0.1525 0.1308 -0.0060 0.0261 0.0087 273 PHE A CE1 3975 C CE2 . PHE A 273 ? 0.1714 0.1131 0.1497 -0.0105 0.0630 0.0102 273 PHE A CE2 3976 C CZ . PHE A 273 ? 0.1560 0.1482 0.1533 -0.0008 0.0213 -0.0002 273 PHE A CZ 3986 N N . ASP A 274 ? 0.2348 0.1015 0.1737 -0.0460 0.0024 -0.0078 274 ASP A N 3987 C CA . ASP A 274 ? 0.2659 0.1275 0.1667 -0.0607 0.0025 -0.0171 274 ASP A CA 3988 C C . ASP A 274 ? 0.2512 0.0920 0.1940 -0.0442 0.0039 -0.0386 274 ASP A C 3989 O O . ASP A 274 ? 0.2183 0.1184 0.1941 -0.0316 0.0058 -0.0415 274 ASP A O 3990 C CB . ASP A 274 ? 0.3124 0.1333 0.2558 -0.0346 -0.0386 -0.0441 274 ASP A CB 3991 C CG . ASP A 274 ? 0.5325 0.1515 0.4259 -0.0419 -0.0080 0.0609 274 ASP A CG 3992 O OD1 . ASP A 274 ? 0.5545 0.3317 0.4671 -0.0976 0.0182 0.1708 274 ASP A OD1 3993 O OD2 . ASP A 274 ? 0.6608 0.3145 0.6166 0.0641 -0.0517 0.1379 274 ASP A OD2 3998 N N . GLY A 275 ? 0.2682 0.1227 0.1752 -0.0682 0.0070 -0.0351 275 GLY A N 3999 C CA . GLY A 275 ? 0.2380 0.1277 0.1650 -0.0515 0.0077 -0.0441 275 GLY A CA 4000 C C . GLY A 275 ? 0.1975 0.1331 0.1507 -0.0636 0.0168 -0.0251 275 GLY A C 4001 O O . GLY A 275 ? 0.1885 0.1372 0.1575 -0.0462 0.0098 -0.0334 275 GLY A O 4005 N N . GLY A 276 ? 0.1831 0.1293 0.1526 -0.0604 0.0084 -0.0254 276 GLY A N 4006 C CA . GLY A 276 ? 0.1505 0.1408 0.1437 -0.0442 0.0026 -0.0235 276 GLY A CA 4007 C C . GLY A 276 ? 0.1450 0.1126 0.1226 -0.0421 0.0321 -0.0229 276 GLY A C 4008 O O . GLY A 276 ? 0.1482 0.1173 0.1447 -0.0332 0.0163 -0.0227 276 GLY A O 4012 N N . ILE A 277 ? 0.1387 0.1025 0.1227 -0.0344 0.0175 -0.0231 277 ILE A N 4013 C CA . ILE A 277 ? 0.1378 0.0986 0.1080 -0.0330 0.0214 -0.0232 277 ILE A CA 4014 C C . ILE A 277 ? 0.1163 0.0875 0.1093 -0.0223 0.0189 -0.0111 277 ILE A C 4015 O O . ILE A 277 ? 0.1242 0.0947 0.1218 -0.0314 0.0230 -0.0149 277 ILE A O 4016 C CB . ILE A 277 ? 0.1270 0.1014 0.1288 -0.0157 0.0268 -0.0219 277 ILE A CB 4017 C CG1 . ILE A 277 ? 0.1548 0.0914 0.1524 -0.0147 0.0361 -0.0219 277 ILE A CG1 4018 C CG2 . ILE A 277 ? 0.1595 0.1107 0.1419 -0.0238 0.0329 -0.0232 277 ILE A CG2 4019 C CD1 . ILE A 277 ? 0.1717 0.1202 0.1611 -0.0006 0.0150 -0.0018 277 ILE A CD1 4031 N N . ASN A 278 ? 0.1108 0.0992 0.1015 -0.0278 0.0258 -0.0201 278 ASN A N 4032 C CA . ASN A 278 ? 0.0976 0.0997 0.0923 -0.0293 0.0191 -0.0185 278 ASN A CA 4033 C C . ASN A 278 ? 0.1175 0.0869 0.0884 -0.0270 0.0129 -0.0119 278 ASN A C 4034 O O . ASN A 278 ? 0.1141 0.1095 0.1003 -0.0259 0.0162 -0.0169 278 ASN A O 4035 C CB . ASN A 278 ? 0.1108 0.1001 0.1025 -0.0168 0.0238 -0.0186 278 ASN A CB 4036 C CG . ASN A 278 ? 0.1091 0.0897 0.1016 -0.0104 0.0061 -0.0129 278 ASN A CG 4037 O OD1 . ASN A 278 ? 0.1059 0.0907 0.1110 -0.0179 0.0160 -0.0101 278 ASN A OD1 4038 N ND2 . ASN A 278 ? 0.1276 0.0926 0.1190 -0.0102 0.0133 -0.0006 278 ASN A ND2 4045 N N . SER A 279 ? 0.1006 0.1021 0.1017 -0.0250 0.0221 -0.0151 279 SER A N 4046 C CA . SER A 279 ? 0.0976 0.1237 0.0930 -0.0275 0.0207 -0.0143 279 SER A CA 4047 C C . SER A 279 ? 0.0996 0.1200 0.0915 -0.0302 0.0098 -0.0230 279 SER A C 4048 O O . SER A 279 ? 0.0988 0.1196 0.0913 -0.0210 0.0184 -0.0114 279 SER A O 4049 C CB . SER A 279 ? 0.1064 0.1225 0.1361 -0.0288 0.0164 -0.0078 279 SER A CB 4050 O OG . SER A 279 ? 0.1210 0.1152 0.1469 -0.0332 0.0164 -0.0020 279 SER A OG 4055 N N . ALA A 280 ? 0.0993 0.1231 0.0870 -0.0305 0.0083 -0.0159 280 ALA A N 4056 C CA . ALA A 280 ? 0.0989 0.1131 0.0915 -0.0237 0.0097 -0.0126 280 ALA A CA 4057 C C . ALA A 280 ? 0.0923 0.1187 0.0930 -0.0252 0.0079 -0.0150 280 ALA A C 4058 O O . ALA A 280 ? 0.1095 0.1160 0.0923 -0.0343 0.0122 -0.0158 280 ALA A O 4059 C CB . ALA A 280 ? 0.0875 0.1206 0.1003 -0.0259 0.0086 -0.0157 280 ALA A CB 4065 N N . ILE A 281 ? 0.0885 0.1129 0.1132 -0.0291 0.0119 -0.0168 281 ILE A N 4066 C CA . ILE A 281 ? 0.0894 0.1316 0.1123 -0.0276 0.0093 -0.0195 281 ILE A CA 4067 C C . ILE A 281 ? 0.0882 0.1368 0.1068 -0.0291 0.0099 -0.0101 281 ILE A C 4068 O O . ILE A 281 ? 0.0917 0.1296 0.1236 -0.0165 0.0157 -0.0109 281 ILE A O 4069 C CB . ILE A 281 ? 0.1018 0.1373 0.1167 -0.0258 0.0008 -0.0181 281 ILE A CB 4070 C CG1 . ILE A 281 ? 0.1071 0.1506 0.1397 -0.0335 0.0071 -0.0315 281 ILE A CG1 4071 C CG2 . ILE A 281 ? 0.0893 0.1587 0.1459 -0.0274 -0.0073 -0.0327 281 ILE A CG2 4072 C CD1 . ILE A 281 ? 0.1314 0.1688 0.1441 -0.0433 0.0106 -0.0507 281 ILE A CD1 4084 N N . LEU A 282 ? 0.0748 0.1329 0.1224 -0.0190 0.0135 -0.0189 282 LEU A N 4085 C CA . LEU A 282 ? 0.0842 0.1384 0.1131 -0.0254 0.0051 -0.0058 282 LEU A CA 4086 C C . LEU A 282 ? 0.0824 0.1459 0.1325 -0.0246 0.0083 -0.0263 282 LEU A C 4087 O O . LEU A 282 ? 0.1005 0.1472 0.1424 -0.0278 0.0012 -0.0175 282 LEU A O 4088 C CB . LEU A 282 ? 0.0907 0.1506 0.1138 -0.0195 0.0041 -0.0083 282 LEU A CB 4089 C CG . LEU A 282 ? 0.0934 0.1684 0.1280 -0.0169 -0.0001 -0.0226 282 LEU A CG 4090 C CD1 . LEU A 282 ? 0.1529 0.1458 0.1747 0.0109 0.0378 -0.0171 282 LEU A CD1 4091 C CD2 . LEU A 282 ? 0.1130 0.1694 0.1338 -0.0026 0.0170 -0.0262 282 LEU A CD2 4103 N N . ARG A 283 ? 0.0880 0.1402 0.1380 -0.0241 0.0025 -0.0278 283 ARG A N 4104 C CA . ARG A 283 ? 0.0899 0.1752 0.1282 -0.0285 -0.0053 -0.0239 283 ARG A CA 4105 C C . ARG A 283 ? 0.0913 0.1586 0.1365 -0.0201 -0.0054 -0.0353 283 ARG A C 4106 O O . ARG A 283 ? 0.1030 0.1703 0.1789 -0.0185 0.0104 -0.0134 283 ARG A O 4107 C CB . ARG A 283 ? 0.0983 0.1939 0.1253 -0.0240 -0.0047 -0.0287 283 ARG A CB 4108 C CG . ARG A 283 ? 0.1105 0.2309 0.1373 -0.0154 -0.0095 -0.0406 283 ARG A CG 4109 C CD . ARG A 283 ? 0.1516 0.2263 0.1339 -0.0048 -0.0132 -0.0401 283 ARG A CD 4110 N NE . ARG A 283 ? 0.1502 0.2164 0.1432 -0.0263 -0.0132 -0.0543 283 ARG A NE 4111 C CZ . ARG A 283 ? 0.1387 0.2122 0.1401 -0.0210 -0.0178 -0.0574 283 ARG A CZ 4112 N NH1 . ARG A 283 ? 0.1573 0.2249 0.1915 -0.0572 0.0116 -0.0610 283 ARG A NH1 4113 N NH2 . ARG A 283 ? 0.1481 0.2365 0.1901 -0.0033 -0.0404 -0.0906 283 ARG A NH2 4127 N N . TYR A 284 ? 0.0905 0.1739 0.1413 -0.0217 0.0005 -0.0382 284 TYR A N 4128 C CA . TYR A 284 ? 0.0819 0.1844 0.1643 -0.0199 -0.0018 -0.0453 284 TYR A CA 4129 C C . TYR A 284 ? 0.1072 0.1950 0.1460 -0.0124 0.0093 -0.0404 284 TYR A C 4130 O O . TYR A 284 ? 0.1171 0.2106 0.1639 -0.0081 -0.0115 -0.0549 284 TYR A O 4131 C CB . TYR A 284 ? 0.0814 0.1902 0.1631 -0.0160 0.0046 -0.0402 284 TYR A CB 4132 C CG . TYR A 284 ? 0.0950 0.1766 0.1526 -0.0345 0.0135 -0.0463 284 TYR A CG 4133 C CD1 . TYR A 284 ? 0.0903 0.1749 0.1561 -0.0150 0.0055 -0.0391 284 TYR A CD1 4134 C CD2 . TYR A 284 ? 0.0870 0.1959 0.1707 -0.0232 0.0006 -0.0467 284 TYR A CD2 4135 C CE1 . TYR A 284 ? 0.0972 0.1592 0.1566 -0.0305 0.0231 -0.0340 284 TYR A CE1 4136 C CE2 . TYR A 284 ? 0.0876 0.2063 0.1576 -0.0255 0.0119 -0.0488 284 TYR A CE2 4137 C CZ . TYR A 284 ? 0.0845 0.1784 0.1493 -0.0475 0.0184 -0.0436 284 TYR A CZ 4138 O OH . TYR A 284 ? 0.1052 0.1639 0.1451 -0.0271 0.0249 -0.0346 284 TYR A OH 4147 N N . GLU A 285 ? 0.1154 0.1962 0.1758 -0.0043 -0.0250 -0.0363 285 GLU A N 4148 C CA . GLU A 285 ? 0.1243 0.2515 0.1922 0.0295 -0.0289 -0.0199 285 GLU A CA 4149 C C . GLU A 285 ? 0.1173 0.2641 0.2014 0.0082 -0.0403 -0.0468 285 GLU A C 4150 O O . GLU A 285 ? 0.1126 0.2543 0.2219 -0.0154 -0.0179 -0.0562 285 GLU A O 4158 N N . GLY A 286 ? 0.1730 0.2469 0.2256 0.0275 -0.0737 -0.0617 286 GLY A N 4159 C CA . GLY A 286 ? 0.1599 0.2684 0.2966 0.0359 -0.0826 -0.1274 286 GLY A CA 4160 C C . GLY A 286 ? 0.1897 0.2456 0.2351 -0.0046 -0.0798 -0.0669 286 GLY A C 4161 O O . GLY A 286 ? 0.2142 0.2601 0.3208 -0.0370 -0.1034 -0.0749 286 GLY A O 4165 N N . ALA A 287 ? 0.1314 0.2653 0.2089 -0.0140 -0.0246 -0.0828 287 ALA A N 4166 C CA . ALA A 287 ? 0.1659 0.2583 0.2299 -0.0397 -0.0220 -0.0840 287 ALA A CA 4167 C C . ALA A 287 ? 0.1528 0.2325 0.2106 -0.0141 -0.0424 -0.0671 287 ALA A C 4168 O O . ALA A 287 ? 0.2232 0.2401 0.2005 -0.0068 -0.0274 -0.0570 287 ALA A O 4169 C CB . ALA A 287 ? 0.1748 0.2424 0.1750 -0.0585 -0.0174 -0.0602 287 ALA A CB 4175 N N . THR A 288 ? 0.1735 0.2320 0.2266 -0.0253 -0.0148 -0.0729 288 THR A N 4176 C CA . THR A 288 ? 0.1954 0.2582 0.2191 0.0365 -0.0562 -0.0831 288 THR A CA 4177 C C . THR A 288 ? 0.2282 0.2334 0.1764 -0.0073 -0.0447 -0.0685 288 THR A C 4178 O O . THR A 288 ? 0.2141 0.2912 0.1831 0.0049 -0.0471 -0.0722 288 THR A O 4184 N N . VAL A 289 ? 0.1972 0.2655 0.1832 -0.0206 -0.0397 -0.0678 289 VAL A N 4185 C CA . VAL A 289 ? 0.1903 0.2557 0.1685 -0.0255 -0.0463 -0.0279 289 VAL A CA 4186 C C . VAL A 289 ? 0.1897 0.2523 0.1618 -0.0150 -0.0255 -0.0504 289 VAL A C 4187 O O . VAL A 289 ? 0.2719 0.3037 0.1611 -0.0311 -0.0406 -0.0659 289 VAL A O 4188 C CB . VAL A 289 ? 0.2696 0.3374 0.1788 -0.0676 -0.0549 -0.0181 289 VAL A CB 4189 C CG1 . VAL A 289 ? 0.2777 0.3415 0.2094 -0.1205 -0.0331 -0.0402 289 VAL A CG1 4190 C CG2 . VAL A 289 ? 0.3176 0.3266 0.2410 -0.0518 -0.0589 -0.0075 289 VAL A CG2 4200 N N . GLU A 290 ? 0.2070 0.2269 0.1596 -0.0079 -0.0490 -0.0495 290 GLU A N 4201 C CA . GLU A 290 ? 0.2491 0.2014 0.1539 -0.0075 -0.0424 -0.0533 290 GLU A CA 4202 C C . GLU A 290 ? 0.1554 0.1749 0.1536 -0.0311 -0.0107 -0.0470 290 GLU A C 4203 O O . GLU A 290 ? 0.1832 0.2083 0.1513 -0.0095 -0.0194 -0.0579 290 GLU A O 4204 C CB . GLU A 290 ? 0.2440 0.2237 0.2547 -0.0270 -0.0888 -0.0420 290 GLU A CB 4205 C CG . GLU A 290 ? 0.2726 0.3154 0.2190 -0.1024 -0.0629 -0.0350 290 GLU A CG 4206 C CD . GLU A 290 ? 0.2778 0.3914 0.3744 -0.1379 -0.0200 -0.0668 290 GLU A CD 4207 O OE1 . GLU A 290 ? 0.3586 0.3858 0.3814 -0.1792 -0.0193 -0.0784 290 GLU A OE1 4208 O OE2 . GLU A 290 ? 0.3202 0.4090 0.5897 -0.1692 0.1298 -0.0946 290 GLU A OE2 4215 N N . ASP A 291 ? 0.1510 0.1834 0.1516 -0.0343 0.0047 -0.0557 291 ASP A N 4216 C CA . ASP A 291 ? 0.1653 0.1612 0.1351 -0.0571 0.0025 -0.0364 291 ASP A CA 4217 C C . ASP A 291 ? 0.1464 0.1622 0.1324 -0.0540 0.0012 -0.0221 291 ASP A C 4218 O O . ASP A 291 ? 0.1455 0.1724 0.1647 -0.0631 0.0131 -0.0495 291 ASP A O 4219 C CB . ASP A 291 ? 0.1430 0.1819 0.1603 -0.0286 0.0133 -0.0331 291 ASP A CB 4220 C CG . ASP A 291 ? 0.1694 0.1885 0.1999 -0.0733 0.0365 -0.0595 291 ASP A CG 4221 O OD1 . ASP A 291 ? 0.1680 0.2253 0.2008 -0.0712 0.0525 -0.0562 291 ASP A OD1 4222 O OD2 . ASP A 291 ? 0.1834 0.2476 0.2652 -0.0356 0.0649 -0.0845 291 ASP A OD2 4227 N N . PRO A 292 ? 0.1443 0.1459 0.1313 -0.0588 0.0013 -0.0246 292 PRO A N 4228 C CA . PRO A 292 ? 0.1197 0.1403 0.1475 -0.0294 0.0129 -0.0377 292 PRO A CA 4229 C C . PRO A 292 ? 0.1200 0.1363 0.1460 -0.0376 0.0039 -0.0349 292 PRO A C 4230 O O . PRO A 292 ? 0.1275 0.1438 0.2008 -0.0395 0.0353 -0.0578 292 PRO A O 4231 C CB . PRO A 292 ? 0.1119 0.1333 0.1420 -0.0269 0.0135 -0.0370 292 PRO A CB 4232 C CG . PRO A 292 ? 0.1082 0.1464 0.1346 -0.0293 0.0219 -0.0267 292 PRO A CG 4233 C CD . PRO A 292 ? 0.1267 0.1486 0.1353 -0.0576 0.0075 -0.0304 292 PRO A CD 4241 N N . THR A 293 ? 0.1195 0.1542 0.1361 -0.0407 -0.0003 -0.0249 293 THR A N 4242 C CA . THR A 293 ? 0.1296 0.1340 0.1444 -0.0457 0.0014 -0.0258 293 THR A CA 4243 C C . THR A 293 ? 0.1448 0.1357 0.1514 -0.0657 0.0000 -0.0284 293 THR A C 4244 O O . THR A 293 ? 0.2097 0.1320 0.1649 -0.0876 0.0323 -0.0295 293 THR A O 4245 C CB . THR A 293 ? 0.1691 0.1627 0.1939 -0.0649 -0.0260 -0.0230 293 THR A CB 4246 O OG1 . THR A 293 ? 0.1405 0.2238 0.2580 -0.0864 0.0035 -0.0245 293 THR A OG1 4247 C CG2 . THR A 293 ? 0.2017 0.2000 0.2001 -0.0810 -0.0329 -0.0239 293 THR A CG2 4254 N N . THR A 294 ? 0.1312 0.1308 0.1288 -0.0456 0.0055 -0.0252 294 THR A N 4255 C CA . THR A 294 ? 0.1586 0.1402 0.1468 -0.0651 0.0319 -0.0323 294 THR A CA 4256 C C . THR A 294 ? 0.1399 0.1314 0.1350 -0.0594 0.0126 -0.0097 294 THR A C 4257 O O . THR A 294 ? 0.1431 0.1501 0.1481 -0.0564 0.0071 0.0138 294 THR A O 4258 C CB . THR A 294 ? 0.1479 0.1538 0.1451 -0.0615 0.0297 -0.0450 294 THR A CB 4259 O OG1 . THR A 294 ? 0.1263 0.1336 0.1445 -0.0533 0.0167 -0.0291 294 THR A OG1 4260 C CG2 . THR A 294 ? 0.1545 0.1604 0.1979 -0.0426 0.0252 -0.0370 294 THR A CG2 4267 N N . THR A 295 ? 0.1672 0.1628 0.1362 -0.0744 0.0173 0.0010 295 THR A N 4268 C CA . THR A 295 ? 0.2011 0.1873 0.1531 -0.0487 -0.0249 0.0322 295 THR A CA 4269 C C . THR A 295 ? 0.2024 0.2013 0.1242 -0.0331 -0.0120 0.0312 295 THR A C 4270 O O . THR A 295 ? 0.2099 0.2736 0.1751 -0.0587 -0.0073 -0.0403 295 THR A O 4271 C CB . THR A 295 ? 0.2308 0.2171 0.2119 -0.0645 -0.0171 0.0255 295 THR A CB 4272 O OG1 . THR A 295 ? 0.3550 0.3195 0.2060 -0.1777 -0.0195 0.0679 295 THR A OG1 4273 C CG2 . THR A 295 ? 0.3691 0.1559 0.2296 -0.0238 -0.0114 0.0261 295 THR A CG2 4280 N N . ALA A 296 ? 0.2100 0.1748 0.1494 -0.0397 -0.0087 0.0322 296 ALA A N 4281 C CA . ALA A 296 ? 0.2047 0.1619 0.1664 -0.0566 -0.0504 0.0279 296 ALA A CA 4282 C C . ALA A 296 ? 0.1841 0.1362 0.1407 -0.0128 -0.0365 0.0162 296 ALA A C 4283 O O . ALA A 296 ? 0.2079 0.1194 0.1517 -0.0461 -0.0258 0.0181 296 ALA A O 4284 C CB . ALA A 296 ? 0.2027 0.1975 0.1836 -0.0633 -0.0089 0.0491 296 ALA A CB 4290 N N . PRO A 297 ? 0.1610 0.1295 0.1519 -0.0317 -0.0045 0.0113 297 PRO A N 4291 C CA . PRO A 297 ? 0.1327 0.1364 0.1486 -0.0339 -0.0030 -0.0011 297 PRO A CA 4292 C C . PRO A 297 ? 0.1343 0.1286 0.1538 -0.0411 -0.0189 -0.0040 297 PRO A C 4293 O O . PRO A 297 ? 0.1407 0.1295 0.1675 -0.0273 -0.0046 -0.0005 297 PRO A O 4294 C CB . PRO A 297 ? 0.1772 0.1285 0.1582 -0.0147 -0.0025 -0.0082 297 PRO A CB 4295 C CG . PRO A 297 ? 0.1838 0.1262 0.1960 -0.0263 -0.0018 -0.0258 297 PRO A CG 4296 C CD . PRO A 297 ? 0.1860 0.1511 0.2362 -0.0246 -0.0271 -0.0313 297 PRO A CD 4304 N N . THR A 298 ? 0.1293 0.1087 0.1636 -0.0096 -0.0029 -0.0003 298 THR A N 4305 C CA . THR A 298 ? 0.1263 0.1356 0.1633 -0.0036 -0.0157 -0.0101 298 THR A CA 4306 C C . THR A 298 ? 0.1254 0.1472 0.1737 -0.0178 -0.0015 -0.0284 298 THR A C 4307 O O . THR A 298 ? 0.1242 0.2291 0.2156 -0.0226 -0.0103 -0.0632 298 THR A O 4308 C CB . THR A 298 ? 0.1340 0.1172 0.1659 -0.0025 -0.0100 -0.0182 298 THR A CB 4309 O OG1 . THR A 298 ? 0.1604 0.1355 0.1840 -0.0127 0.0131 -0.0223 298 THR A OG1 4310 C CG2 . THR A 298 ? 0.1707 0.1282 0.1670 0.0095 -0.0321 -0.0309 298 THR A CG2 4317 N N . THR A 299 ? 0.1146 0.1340 0.1796 -0.0126 -0.0044 -0.0259 299 THR A N 4318 C CA . THR A 299 ? 0.1761 0.1271 0.1620 -0.0161 0.0103 -0.0300 299 THR A CA 4319 C C . THR A 299 ? 0.1478 0.1252 0.1383 -0.0400 0.0096 -0.0110 299 THR A C 4320 O O . THR A 299 ? 0.1589 0.1185 0.1792 -0.0356 0.0001 -0.0036 299 THR A O 4328 N N . PHE A 300 ? 0.1557 0.1230 0.1339 -0.0416 0.0054 0.0001 300 PHE A N 4329 C CA . PHE A 300 ? 0.1791 0.1070 0.1419 -0.0346 0.0221 -0.0054 300 PHE A CA 4330 C C . PHE A 300 ? 0.1994 0.1260 0.1326 -0.0370 0.0068 0.0127 300 PHE A C 4331 O O . PHE A 300 ? 0.2306 0.1767 0.1243 -0.0226 -0.0057 -0.0113 300 PHE A O 4332 C CB . PHE A 300 ? 0.1790 0.1261 0.1288 -0.0497 -0.0053 0.0027 300 PHE A CB 4333 C CG . PHE A 300 ? 0.1568 0.1150 0.1258 -0.0431 0.0129 0.0061 300 PHE A CG 4334 C CD1 . PHE A 300 ? 0.1821 0.1119 0.1339 -0.0568 -0.0087 0.0112 300 PHE A CD1 4335 C CD2 . PHE A 300 ? 0.1691 0.1291 0.1465 -0.0283 0.0158 -0.0017 300 PHE A CD2 4336 C CE1 . PHE A 300 ? 0.1592 0.1207 0.1559 -0.0522 -0.0084 0.0230 300 PHE A CE1 4337 C CE2 . PHE A 300 ? 0.1848 0.1255 0.1534 -0.0447 0.0181 0.0017 300 PHE A CE2 4338 C CZ . PHE A 300 ? 0.1765 0.1270 0.1654 -0.0601 0.0116 -0.0058 300 PHE A CZ 4348 N N . SER A 301 ? 0.1780 0.1246 0.1596 -0.0506 0.0346 -0.0002 301 SER A N 4349 C CA . SER A 301 ? 0.2102 0.1499 0.2001 -0.0715 0.0710 -0.0019 301 SER A CA 4350 C C . SER A 301 ? 0.1946 0.1409 0.1306 -0.0319 0.0478 0.0085 301 SER A C 4351 O O . SER A 301 ? 0.2562 0.1583 0.1341 -0.0547 0.0453 0.0145 301 SER A O 4352 C CB . SER A 301 ? 0.2263 0.2651 0.2594 -0.1064 0.0797 -0.1013 301 SER A CB 4353 O OG . SER A 301 ? 0.2530 0.3087 0.4535 -0.1375 0.1090 -0.1616 301 SER A OG 4358 N N . ASN A 302 ? 0.1669 0.1189 0.1230 -0.0299 0.0357 -0.0001 302 ASN A N 4359 C CA . ASN A 302 ? 0.1633 0.1184 0.1343 -0.0457 0.0240 0.0025 302 ASN A CA 4360 C C . ASN A 302 ? 0.1539 0.1183 0.1008 -0.0388 0.0070 -0.0060 302 ASN A C 4361 O O . ASN A 302 ? 0.1665 0.1208 0.1181 -0.0345 0.0067 0.0067 302 ASN A O 4368 N N . PRO A 303 ? 0.1366 0.1138 0.1182 -0.0330 0.0173 0.0089 303 PRO A N 4369 C CA . PRO A 303 ? 0.1567 0.1137 0.1144 -0.0375 0.0197 -0.0023 303 PRO A CA 4370 C C . PRO A 303 ? 0.1317 0.1210 0.0928 -0.0319 0.0077 -0.0011 303 PRO A C 4371 O O . PRO A 303 ? 0.1599 0.1300 0.0911 -0.0418 0.0064 -0.0025 303 PRO A O 4372 C CB . PRO A 303 ? 0.1670 0.1253 0.1497 -0.0227 0.0317 -0.0028 303 PRO A CB 4373 C CG . PRO A 303 ? 0.1847 0.1833 0.1746 -0.0163 0.0159 0.0239 303 PRO A CG 4374 C CD . PRO A 303 ? 0.1830 0.1294 0.1360 -0.0296 -0.0010 0.0095 303 PRO A CD 4382 N N . LEU A 304 ? 0.1391 0.1150 0.0908 -0.0334 0.0137 -0.0050 304 LEU A N 4383 C CA . LEU A 304 ? 0.1281 0.1150 0.0913 -0.0296 0.0139 -0.0039 304 LEU A CA 4384 C C . LEU A 304 ? 0.1492 0.1098 0.0844 -0.0155 0.0138 0.0013 304 LEU A C 4385 O O . LEU A 304 ? 0.1567 0.1223 0.1034 -0.0092 -0.0049 -0.0125 304 LEU A O 4386 C CB . LEU A 304 ? 0.1264 0.1092 0.0872 -0.0187 0.0082 -0.0006 304 LEU A CB 4387 C CG . LEU A 304 ? 0.1304 0.1112 0.1054 -0.0181 0.0065 -0.0020 304 LEU A CG 4388 C CD1 . LEU A 304 ? 0.1565 0.1068 0.1184 -0.0107 0.0031 -0.0070 304 LEU A CD1 4389 C CD2 . LEU A 304 ? 0.1403 0.1184 0.1318 -0.0261 0.0165 0.0134 304 LEU A CD2 4401 N N . VAL A 305 ? 0.1399 0.1121 0.0891 -0.0242 0.0098 -0.0061 305 VAL A N 4402 C CA . VAL A 305 ? 0.1515 0.1125 0.0875 -0.0162 -0.0029 -0.0126 305 VAL A CA 4403 C C . VAL A 305 ? 0.1293 0.1119 0.0744 -0.0085 0.0067 -0.0108 305 VAL A C 4404 O O . VAL A 305 ? 0.1146 0.1186 0.1033 -0.0112 0.0024 -0.0181 305 VAL A O 4405 C CB . VAL A 305 ? 0.2022 0.1368 0.1078 -0.0315 -0.0112 0.0099 305 VAL A CB 4406 C CG1 . VAL A 305 ? 0.2259 0.1756 0.1129 -0.0616 -0.0202 0.0199 305 VAL A CG1 4407 C CG2 . VAL A 305 ? 0.2643 0.1472 0.1157 -0.0615 -0.0242 0.0138 305 VAL A CG2 4417 N N . GLU A 306 ? 0.1215 0.1100 0.0823 -0.0008 0.0060 -0.0075 306 GLU A N 4418 C CA . GLU A 306 ? 0.1081 0.1053 0.0850 -0.0003 0.0106 -0.0071 306 GLU A CA 4419 C C . GLU A 306 ? 0.0966 0.1108 0.0834 0.0001 0.0109 -0.0124 306 GLU A C 4420 O O . GLU A 306 ? 0.0978 0.1135 0.0854 -0.0014 0.0132 -0.0134 306 GLU A O 4421 C CB . GLU A 306 ? 0.1131 0.1058 0.0945 0.0065 0.0045 -0.0071 306 GLU A CB 4422 C CG . GLU A 306 ? 0.0962 0.1255 0.1048 0.0116 0.0058 0.0103 306 GLU A CG 4423 C CD . GLU A 306 ? 0.0910 0.1128 0.0968 0.0108 0.0027 0.0021 306 GLU A CD 4424 O OE1 . GLU A 306 ? 0.1032 0.1340 0.0891 0.0178 0.0095 0.0052 306 GLU A OE1 4425 O OE2 . GLU A 306 ? 0.1036 0.1311 0.0998 0.0203 0.0104 0.0002 306 GLU A OE2 4432 N N . THR A 307 ? 0.0962 0.1164 0.0746 -0.0073 0.0071 -0.0087 307 THR A N 4433 C CA . THR A 307 ? 0.1174 0.1188 0.0710 -0.0092 0.0047 -0.0114 307 THR A CA 4434 C C . THR A 307 ? 0.1142 0.1070 0.0869 0.0018 0.0081 -0.0087 307 THR A C 4435 O O . THR A 307 ? 0.1213 0.1347 0.1005 0.0052 0.0112 -0.0272 307 THR A O 4436 C CB . THR A 307 ? 0.1246 0.1165 0.0833 -0.0054 0.0048 -0.0117 307 THR A CB 4437 O OG1 . THR A 307 ? 0.1249 0.1170 0.1040 -0.0005 0.0054 0.0039 307 THR A OG1 4438 C CG2 . THR A 307 ? 0.1222 0.1264 0.0918 0.0063 -0.0031 -0.0109 307 THR A CG2 4445 N N . ASP A 308 ? 0.1084 0.1075 0.0873 -0.0062 0.0059 -0.0115 308 ASP A N 4446 C CA . ASP A 308 ? 0.1012 0.1351 0.0810 -0.0046 0.0069 -0.0146 308 ASP A CA 4447 C C . ASP A 308 ? 0.1023 0.1249 0.1008 0.0019 0.0044 -0.0147 308 ASP A C 4448 O O . ASP A 308 ? 0.1016 0.1420 0.1243 0.0030 0.0179 -0.0039 308 ASP A O 4449 C CB . ASP A 308 ? 0.1060 0.1293 0.1030 -0.0145 0.0100 -0.0094 308 ASP A CB 4450 C CG . ASP A 308 ? 0.1264 0.1543 0.1021 -0.0273 0.0151 -0.0085 308 ASP A CG 4451 O OD1 . ASP A 308 ? 0.1810 0.1681 0.1099 -0.0407 0.0073 0.0069 308 ASP A OD1 4452 O OD2 . ASP A 308 ? 0.2209 0.1499 0.1195 -0.0431 0.0050 -0.0013 308 ASP A OD2 4457 N N . LEU A 309 ? 0.0956 0.1222 0.0895 0.0021 0.0101 -0.0056 309 LEU A N 4458 C CA . LEU A 309 ? 0.0861 0.1242 0.0974 -0.0015 0.0033 -0.0116 309 LEU A CA 4459 C C . LEU A 309 ? 0.0864 0.1214 0.0972 0.0074 -0.0002 -0.0145 309 LEU A C 4460 O O . LEU A 309 ? 0.0994 0.1321 0.1274 0.0148 -0.0164 -0.0291 309 LEU A O 4461 C CB . LEU A 309 ? 0.0997 0.1115 0.0912 0.0060 0.0012 -0.0080 309 LEU A CB 4462 C CG . LEU A 309 ? 0.1244 0.1028 0.0846 -0.0079 0.0084 -0.0116 309 LEU A CG 4463 C CD1 . LEU A 309 ? 0.1332 0.0996 0.0943 0.0002 0.0071 -0.0115 309 LEU A CD1 4464 C CD2 . LEU A 309 ? 0.1087 0.1278 0.1014 -0.0283 -0.0050 -0.0049 309 LEU A CD2 4476 N N . HIS A 310 ? 0.0868 0.1108 0.1037 0.0013 -0.0029 -0.0176 310 HIS A N 4477 C CA . HIS A 310 ? 0.1079 0.1123 0.0952 0.0065 -0.0017 -0.0203 310 HIS A CA 4478 C C . HIS A 310 ? 0.0857 0.1131 0.1043 0.0083 0.0001 -0.0258 310 HIS A C 4479 O O . HIS A 310 ? 0.1035 0.1158 0.1250 0.0049 -0.0123 -0.0190 310 HIS A O 4480 C CB . HIS A 310 ? 0.1058 0.1362 0.1134 0.0059 0.0153 -0.0210 310 HIS A CB 4481 C CG . HIS A 310 ? 0.1176 0.1460 0.1069 -0.0131 0.0051 -0.0215 310 HIS A CG 4482 N ND1 . HIS A 310 ? 0.1675 0.1669 0.1057 -0.0131 -0.0039 -0.0020 310 HIS A ND1 4483 C CD2 . HIS A 310 ? 0.1462 0.1691 0.1362 -0.0227 0.0128 -0.0127 310 HIS A CD2 4484 C CE1 . HIS A 310 ? 0.2166 0.1582 0.1384 -0.0029 -0.0215 0.0133 310 HIS A CE1 4485 N NE2 . HIS A 310 ? 0.2331 0.1557 0.1455 -0.0379 -0.0163 0.0063 310 HIS A NE2 4494 N N . PRO A 311 ? 0.0995 0.1066 0.1019 0.0162 -0.0059 -0.0224 311 PRO A N 4495 C CA . PRO A 311 ? 0.0921 0.1093 0.1135 0.0092 0.0039 -0.0200 311 PRO A CA 4496 C C . PRO A 311 ? 0.1016 0.1106 0.1148 0.0167 -0.0009 -0.0317 311 PRO A C 4497 O O . PRO A 311 ? 0.0951 0.1376 0.1136 0.0259 0.0055 -0.0299 311 PRO A O 4498 C CB . PRO A 311 ? 0.1033 0.1139 0.1241 0.0122 -0.0028 -0.0223 311 PRO A CB 4499 C CG . PRO A 311 ? 0.1021 0.1158 0.1166 0.0161 -0.0056 -0.0255 311 PRO A CG 4500 C CD . PRO A 311 ? 0.0931 0.1128 0.1066 0.0065 -0.0019 -0.0217 311 PRO A CD 4508 N N . LEU A 312 ? 0.0881 0.1105 0.1260 0.0141 -0.0063 -0.0222 312 LEU A N 4509 C CA . LEU A 312 ? 0.0927 0.1418 0.1238 0.0280 -0.0033 -0.0402 312 LEU A CA 4510 C C . LEU A 312 ? 0.1050 0.1408 0.1303 0.0415 -0.0059 -0.0325 312 LEU A C 4511 O O . LEU A 312 ? 0.1448 0.1841 0.1659 0.0473 0.0221 -0.0529 312 LEU A O 4512 C CB . LEU A 312 ? 0.0897 0.1444 0.1336 0.0326 0.0087 -0.0231 312 LEU A CB 4513 C CG . LEU A 312 ? 0.0966 0.1627 0.1799 0.0411 0.0001 -0.0097 312 LEU A CG 4514 C CD1 . LEU A 312 ? 0.0799 0.1922 0.2352 0.0238 0.0175 0.0028 312 LEU A CD1 4515 C CD2 . LEU A 312 ? 0.1232 0.1766 0.1592 0.0241 -0.0015 0.0009 312 LEU A CD2 4527 N N . ALA A 313 ? 0.1276 0.1176 0.1391 0.0398 -0.0106 -0.0349 313 ALA A N 4528 C CA . ALA A 313 ? 0.1398 0.1321 0.1657 0.0394 -0.0261 -0.0505 313 ALA A CA 4529 C C . ALA A 313 ? 0.1280 0.1382 0.1442 0.0308 -0.0070 -0.0457 313 ALA A C 4530 O O . ALA A 313 ? 0.1391 0.1425 0.1718 0.0488 -0.0210 -0.0489 313 ALA A O 4531 C CB . ALA A 313 ? 0.2025 0.1286 0.1635 0.0235 -0.0278 -0.0336 313 ALA A CB 4537 N N . ASP A 314 ? 0.1350 0.1624 0.1671 0.0435 -0.0212 -0.0690 314 ASP A N 4538 C CA . ASP A 314 ? 0.1489 0.1862 0.1448 0.0654 -0.0058 -0.0721 314 ASP A CA 4539 C C . ASP A 314 ? 0.1515 0.1491 0.1653 0.0319 -0.0080 -0.0560 314 ASP A C 4540 O O . ASP A 314 ? 0.2110 0.1522 0.2851 0.0336 -0.0236 -0.0984 314 ASP A O 4547 N N . LEU A 315 ? 0.1261 0.1318 0.1722 0.0252 -0.0181 -0.0484 315 LEU A N 4548 C CA . LEU A 315 ? 0.1310 0.1274 0.1785 0.0131 -0.0230 -0.0290 315 LEU A CA 4549 C C . LEU A 315 ? 0.1187 0.1456 0.1809 0.0195 -0.0158 -0.0478 315 LEU A C 4550 O O . LEU A 315 ? 0.1319 0.1539 0.2013 0.0005 -0.0252 -0.0319 315 LEU A O 4551 C CB . LEU A 315 ? 0.1356 0.1329 0.1627 0.0047 -0.0149 -0.0452 315 LEU A CB 4552 C CG . LEU A 315 ? 0.1428 0.1468 0.1632 0.0258 -0.0179 -0.0260 315 LEU A CG 4553 C CD1 . LEU A 315 ? 0.1545 0.1302 0.1654 0.0087 -0.0044 -0.0225 315 LEU A CD1 4554 C CD2 . LEU A 315 ? 0.1742 0.1506 0.1697 0.0184 -0.0190 -0.0188 315 LEU A CD2 4566 N N . GLY A 316 ? 0.1389 0.1477 0.1621 0.0222 -0.0163 -0.0396 316 GLY A N 4567 C CA . GLY A 316 ? 0.1243 0.1838 0.1484 0.0184 0.0039 -0.0512 316 GLY A CA 4568 C C . GLY A 316 ? 0.1150 0.1459 0.1224 0.0141 -0.0021 -0.0277 316 GLY A C 4569 O O . GLY A 316 ? 0.1252 0.1449 0.1155 0.0134 -0.0071 -0.0336 316 GLY A O 4573 N N . VAL A 317 ? 0.1106 0.1516 0.1174 0.0026 -0.0028 -0.0311 317 VAL A N 4574 C CA . VAL A 317 ? 0.1148 0.1453 0.1078 0.0108 -0.0098 -0.0308 317 VAL A CA 4575 C C . VAL A 317 ? 0.1244 0.1286 0.1090 0.0148 -0.0056 -0.0200 317 VAL A C 4576 O O . VAL A 317 ? 0.1568 0.1775 0.1213 -0.0085 -0.0001 -0.0493 317 VAL A O 4577 C CB . VAL A 317 ? 0.1435 0.1520 0.1060 -0.0028 -0.0184 -0.0271 317 VAL A CB 4578 C CG1 . VAL A 317 ? 0.1445 0.1425 0.1318 0.0032 -0.0169 -0.0174 317 VAL A CG1 4579 C CG2 . VAL A 317 ? 0.1312 0.1496 0.1162 -0.0066 -0.0138 -0.0070 317 VAL A CG2 4589 N N . PRO A 318 ? 0.1217 0.1355 0.1100 0.0056 -0.0138 -0.0184 318 PRO A N 4590 C CA . PRO A 318 ? 0.1240 0.1393 0.1339 0.0019 -0.0211 -0.0127 318 PRO A CA 4591 C C . PRO A 318 ? 0.1188 0.1264 0.1323 0.0116 -0.0152 -0.0269 318 PRO A C 4592 O O . PRO A 318 ? 0.1304 0.1271 0.1395 0.0141 -0.0335 -0.0251 318 PRO A O 4593 C CB . PRO A 318 ? 0.1486 0.1380 0.1427 0.0059 -0.0271 -0.0076 318 PRO A CB 4594 C CG . PRO A 318 ? 0.1528 0.1388 0.1378 0.0062 0.0096 -0.0112 318 PRO A CG 4595 C CD . PRO A 318 ? 0.1393 0.1568 0.1149 0.0067 -0.0077 -0.0205 318 PRO A CD 4603 N N . GLY A 319 ? 0.1399 0.1318 0.1222 0.0119 -0.0249 -0.0189 319 GLY A N 4604 C CA . GLY A 319 ? 0.1445 0.1481 0.1107 0.0065 -0.0250 -0.0303 319 GLY A CA 4605 C C . GLY A 319 ? 0.1738 0.1495 0.1143 0.0237 -0.0215 -0.0188 319 GLY A C 4606 O O . GLY A 319 ? 0.2181 0.2337 0.1298 0.0900 0.0137 0.0008 319 GLY A O 4610 N N . GLN A 320 ? 0.1532 0.1529 0.1106 0.0207 -0.0125 -0.0208 320 GLN A N 4611 C CA . GLN A 320 ? 0.1671 0.1617 0.0971 0.0191 -0.0142 -0.0270 320 GLN A CA 4612 C C . GLN A 320 ? 0.1777 0.1500 0.0865 0.0259 -0.0083 -0.0202 320 GLN A C 4613 O O . GLN A 320 ? 0.1971 0.1577 0.0901 0.0325 0.0044 -0.0201 320 GLN A O 4614 C CB . GLN A 320 ? 0.1622 0.1634 0.1259 0.0264 -0.0241 -0.0260 320 GLN A CB 4615 C CG . GLN A 320 ? 0.2212 0.1793 0.1786 -0.0025 -0.0852 -0.0077 320 GLN A CG 4616 C CD . GLN A 320 ? 0.1929 0.2312 0.1426 0.0401 -0.0497 -0.0186 320 GLN A CD 4617 O OE1 . GLN A 320 ? 0.1716 0.3414 0.1926 0.0314 -0.0379 -0.0204 320 GLN A OE1 4618 N NE2 . GLN A 320 ? 0.2152 0.2061 0.1683 -0.0190 -0.0502 -0.0288 320 GLN A NE2 4627 N N . PRO A 321 ? 0.1544 0.1683 0.0818 0.0161 -0.0044 -0.0281 321 PRO A N 4628 C CA . PRO A 321 ? 0.1527 0.1751 0.0894 0.0126 -0.0147 -0.0294 321 PRO A CA 4629 C C . PRO A 321 ? 0.1397 0.1595 0.0837 0.0158 -0.0185 -0.0302 321 PRO A C 4630 O O . PRO A 321 ? 0.1759 0.1664 0.0819 0.0098 -0.0024 -0.0165 321 PRO A O 4631 C CB . PRO A 321 ? 0.1556 0.2025 0.1160 0.0271 0.0000 -0.0256 321 PRO A CB 4632 C CG . PRO A 321 ? 0.1707 0.2303 0.1086 0.0400 0.0028 -0.0294 321 PRO A CG 4633 C CD . PRO A 321 ? 0.1909 0.1900 0.1054 0.0366 -0.0025 -0.0473 321 PRO A CD 4641 N N . PHE A 322 ? 0.1471 0.1541 0.0772 0.0060 -0.0200 -0.0198 322 PHE A N 4642 C CA . PHE A 322 ? 0.1496 0.1570 0.0699 0.0057 -0.0139 -0.0183 322 PHE A CA 4643 C C . PHE A 322 ? 0.1481 0.1609 0.0713 0.0055 -0.0241 -0.0129 322 PHE A C 4644 O O . PHE A 322 ? 0.1397 0.1578 0.0734 0.0116 -0.0162 -0.0059 322 PHE A O 4645 C CB . PHE A 322 ? 0.1472 0.1625 0.0694 0.0047 -0.0146 -0.0124 322 PHE A CB 4646 C CG . PHE A 322 ? 0.1334 0.1723 0.0708 0.0151 -0.0303 -0.0170 322 PHE A CG 4647 C CD1 . PHE A 322 ? 0.1289 0.1685 0.0781 -0.0013 -0.0166 -0.0279 322 PHE A CD1 4648 C CD2 . PHE A 322 ? 0.1243 0.1790 0.0908 0.0157 -0.0254 -0.0293 322 PHE A CD2 4649 C CE1 . PHE A 322 ? 0.1640 0.1665 0.0916 0.0278 -0.0351 -0.0176 322 PHE A CE1 4650 C CE2 . PHE A 322 ? 0.1336 0.1922 0.1108 0.0011 -0.0273 -0.0173 322 PHE A CE2 4651 C CZ . PHE A 322 ? 0.1441 0.1690 0.1090 -0.0031 -0.0471 -0.0271 322 PHE A CZ 4661 N N . ARG A 323 ? 0.1402 0.1478 0.0896 0.0045 -0.0190 -0.0059 323 ARG A N 4662 C CA . ARG A 323 ? 0.1517 0.1661 0.0824 0.0184 -0.0206 -0.0217 323 ARG A CA 4663 C C . ARG A 323 ? 0.1566 0.1535 0.0817 0.0245 -0.0194 -0.0159 323 ARG A C 4664 O O . ARG A 323 ? 0.1529 0.1782 0.0953 0.0199 -0.0280 -0.0352 323 ARG A O 4665 C CB . ARG A 323 ? 0.1568 0.1771 0.0948 0.0225 -0.0151 -0.0204 323 ARG A CB 4666 C CG . ARG A 323 ? 0.1491 0.1718 0.1266 0.0177 -0.0257 -0.0186 323 ARG A CG 4667 C CD . ARG A 323 ? 0.1717 0.1744 0.1221 0.0199 -0.0341 -0.0173 323 ARG A CD 4668 N NE . ARG A 323 ? 0.1915 0.1761 0.1188 0.0033 -0.0358 -0.0070 323 ARG A NE 4669 C CZ . ARG A 323 ? 0.1505 0.1754 0.1150 0.0352 -0.0223 -0.0151 323 ARG A CZ 4670 N NH1 . ARG A 323 ? 0.1833 0.1617 0.1233 0.0069 -0.0411 -0.0084 323 ARG A NH1 4671 N NH2 . ARG A 323 ? 0.1808 0.1870 0.1184 0.0102 -0.0209 -0.0124 323 ARG A NH2 4685 N N . GLY A 324 ? 0.1321 0.1838 0.0949 0.0217 -0.0242 -0.0120 324 GLY A N 4686 C CA . GLY A 324 ? 0.1129 0.1860 0.1498 0.0199 -0.0085 -0.0083 324 GLY A CA 4687 C C . GLY A 324 ? 0.1338 0.1729 0.1284 0.0138 -0.0241 -0.0072 324 GLY A C 4688 O O . GLY A 324 ? 0.1419 0.1873 0.1697 0.0018 -0.0365 -0.0154 324 GLY A O 4692 N N . GLY A 325 ? 0.1320 0.1662 0.1206 0.0016 -0.0130 -0.0097 325 GLY A N 4693 C CA . GLY A 325 ? 0.1730 0.1425 0.1337 0.0149 -0.0268 -0.0153 325 GLY A CA 4694 C C . GLY A 325 ? 0.1311 0.1371 0.1303 0.0066 -0.0221 -0.0226 325 GLY A C 4695 O O . GLY A 325 ? 0.1351 0.1713 0.1413 0.0138 -0.0150 -0.0186 325 GLY A O 4699 N N . ALA A 326 ? 0.1342 0.1574 0.1270 0.0004 -0.0258 -0.0133 326 ALA A N 4700 C CA . ALA A 326 ? 0.1355 0.1285 0.1322 0.0078 -0.0250 -0.0209 326 ALA A CA 4701 C C . ALA A 326 ? 0.1521 0.1419 0.1295 0.0035 -0.0406 -0.0339 326 ALA A C 4702 O O . ALA A 326 ? 0.1395 0.1807 0.1600 -0.0206 -0.0415 -0.0074 326 ALA A O 4703 C CB . ALA A 326 ? 0.1423 0.1387 0.1437 -0.0168 -0.0438 -0.0245 326 ALA A CB 4709 N N . ASP A 327 ? 0.1509 0.1416 0.1302 -0.0128 -0.0350 -0.0356 327 ASP A N 4710 C CA . ASP A 327 ? 0.1589 0.1492 0.1388 -0.0199 -0.0315 -0.0408 327 ASP A CA 4711 C C . ASP A 327 ? 0.1326 0.1671 0.1540 -0.0402 -0.0289 -0.0282 327 ASP A C 4712 O O . ASP A 327 ? 0.1499 0.2227 0.2104 -0.0439 -0.0413 -0.0715 327 ASP A O 4713 C CB . ASP A 327 ? 0.1798 0.1466 0.1466 -0.0378 -0.0292 -0.0243 327 ASP A CB 4714 C CG . ASP A 327 ? 0.2077 0.1588 0.1562 -0.0298 -0.0281 -0.0540 327 ASP A CG 4715 O OD1 . ASP A 327 ? 0.2433 0.2362 0.1568 0.0005 -0.0358 -0.0558 327 ASP A OD1 4716 O OD2 . ASP A 327 ? 0.2054 0.1981 0.1616 -0.0219 -0.0270 -0.0814 327 ASP A OD2 4721 N N . ASP A 328 ? 0.1404 0.1720 0.1564 -0.0192 -0.0319 -0.0482 328 ASP A N 4722 C CA . ASP A 328 ? 0.1339 0.1754 0.1613 -0.0166 -0.0266 -0.0248 328 ASP A CA 4723 C C . ASP A 328 ? 0.1250 0.1593 0.1422 0.0002 -0.0224 -0.0345 328 ASP A C 4724 O O . ASP A 328 ? 0.1402 0.1758 0.1580 0.0026 -0.0420 -0.0496 328 ASP A O 4725 C CB . ASP A 328 ? 0.1694 0.2003 0.1887 -0.0291 -0.0049 0.0054 328 ASP A CB 4726 C CG . ASP A 328 ? 0.2261 0.3137 0.2634 -0.0023 0.0339 0.0275 328 ASP A CG 4727 O OD1 . ASP A 328 ? 0.2204 0.3733 0.4281 0.0521 0.0529 0.0649 328 ASP A OD1 4728 O OD2 . ASP A 328 ? 0.3658 0.4034 0.2709 0.0776 0.0882 0.0585 328 ASP A OD2 4733 N N . PRO A 329 ? 0.1416 0.1551 0.1351 -0.0076 -0.0321 -0.0262 329 PRO A N 4734 C CA . PRO A 329 ? 0.1357 0.1610 0.1473 0.0062 -0.0288 -0.0390 329 PRO A CA 4735 C C . PRO A 329 ? 0.1263 0.1689 0.1428 0.0031 -0.0401 -0.0331 329 PRO A C 4736 O O . PRO A 329 ? 0.1402 0.2490 0.2055 0.0208 -0.0596 -0.0898 329 PRO A O 4737 C CB . PRO A 329 ? 0.1868 0.1855 0.1657 0.0058 -0.0010 -0.0201 329 PRO A CB 4738 C CG . PRO A 329 ? 0.1769 0.2057 0.1420 0.0209 -0.0191 -0.0378 329 PRO A CG 4739 C CD . PRO A 329 ? 0.1810 0.1710 0.1469 0.0046 -0.0397 -0.0279 329 PRO A CD 4747 N N . LEU A 330 ? 0.0945 0.1506 0.1264 0.0004 -0.0284 -0.0225 330 LEU A N 4748 C CA . LEU A 330 ? 0.1064 0.1628 0.1300 0.0025 -0.0165 -0.0262 330 LEU A CA 4749 C C . LEU A 330 ? 0.1000 0.1706 0.1041 0.0021 -0.0329 -0.0178 330 LEU A C 4750 O O . LEU A 330 ? 0.0976 0.1486 0.1392 0.0097 -0.0288 -0.0187 330 LEU A O 4751 C CB . LEU A 330 ? 0.1210 0.1609 0.1364 -0.0011 -0.0139 -0.0163 330 LEU A CB 4752 C CG . LEU A 330 ? 0.1967 0.1652 0.1717 0.0168 -0.0164 -0.0108 330 LEU A CG 4753 C CD1 . LEU A 330 ? 0.2344 0.2119 0.1842 -0.0250 0.0006 0.0211 330 LEU A CD1 4754 C CD2 . LEU A 330 ? 0.2909 0.2603 0.2534 -0.1238 -0.0593 0.0273 330 LEU A CD2 4766 N N . VAL A 331 ? 0.0939 0.1690 0.1204 0.0039 -0.0221 -0.0277 331 VAL A N 4767 C CA . VAL A 331 ? 0.1110 0.1484 0.1276 0.0280 -0.0293 -0.0327 331 VAL A CA 4768 C C . VAL A 331 ? 0.0920 0.1643 0.1366 0.0232 -0.0263 -0.0269 331 VAL A C 4769 O O . VAL A 331 ? 0.0987 0.2658 0.1657 0.0163 -0.0289 -0.0635 331 VAL A O 4770 C CB . VAL A 331 ? 0.1268 0.1843 0.1628 0.0282 -0.0378 -0.0113 331 VAL A CB 4771 C CG1 . VAL A 331 ? 0.1521 0.1751 0.1689 0.0458 -0.0311 0.0117 331 VAL A CG1 4772 C CG2 . VAL A 331 ? 0.1381 0.2196 0.1302 0.0182 -0.0395 -0.0159 331 VAL A CG2 4782 N N . LEU A 332 ? 0.1058 0.1436 0.1284 0.0249 -0.0171 -0.0301 332 LEU A N 4783 C CA . LEU A 332 ? 0.1093 0.1616 0.1203 0.0225 -0.0086 -0.0223 332 LEU A CA 4784 C C . LEU A 332 ? 0.1198 0.1460 0.1302 0.0244 -0.0121 -0.0261 332 LEU A C 4785 O O . LEU A 332 ? 0.1361 0.1583 0.1977 0.0148 0.0207 -0.0233 332 LEU A O 4786 C CB . LEU A 332 ? 0.0948 0.1889 0.1199 0.0271 -0.0019 -0.0269 332 LEU A CB 4787 C CG . LEU A 332 ? 0.1127 0.2053 0.1165 0.0480 0.0094 -0.0079 332 LEU A CG 4788 C CD1 . LEU A 332 ? 0.1495 0.2111 0.1202 0.0409 0.0157 0.0047 332 LEU A CD1 4789 C CD2 . LEU A 332 ? 0.1545 0.1797 0.2141 0.0309 -0.0459 0.0072 332 LEU A CD2 4801 N N . ASN A 333 ? 0.0968 0.1730 0.1377 0.0250 -0.0172 -0.0353 333 ASN A N 4802 C CA . ASN A 333 ? 0.1046 0.1780 0.1350 0.0451 -0.0287 -0.0197 333 ASN A CA 4803 C C . ASN A 333 ? 0.0990 0.1505 0.1310 0.0238 -0.0115 -0.0237 333 ASN A C 4804 O O . ASN A 333 ? 0.1134 0.1680 0.1423 0.0039 -0.0030 -0.0345 333 ASN A O 4811 N N . LEU A 334 ? 0.1024 0.1483 0.1195 0.0184 -0.0111 -0.0165 334 LEU A N 4812 C CA . LEU A 334 ? 0.1030 0.1516 0.1146 0.0256 -0.0057 -0.0135 334 LEU A CA 4813 C C . LEU A 334 ? 0.1066 0.1543 0.1285 0.0226 0.0087 -0.0102 334 LEU A C 4814 O O . LEU A 334 ? 0.1529 0.1584 0.1468 0.0242 0.0257 -0.0116 334 LEU A O 4815 C CB . LEU A 334 ? 0.1052 0.1451 0.1084 0.0009 -0.0037 -0.0162 334 LEU A CB 4816 C CG . LEU A 334 ? 0.0916 0.1483 0.1328 0.0151 -0.0137 -0.0128 334 LEU A CG 4817 C CD1 . LEU A 334 ? 0.1111 0.1741 0.1368 0.0085 0.0007 -0.0007 334 LEU A CD1 4818 C CD2 . LEU A 334 ? 0.1053 0.1494 0.1492 0.0172 -0.0138 -0.0131 334 LEU A CD2 4830 N N . ALA A 335 ? 0.1084 0.1337 0.1240 0.0139 0.0069 -0.0058 335 ALA A N 4831 C CA . ALA A 335 ? 0.1214 0.1458 0.1266 0.0248 -0.0050 0.0014 335 ALA A CA 4832 C C . ALA A 335 ? 0.0875 0.1314 0.1307 0.0231 0.0008 -0.0126 335 ALA A C 4833 O O . ALA A 335 ? 0.1129 0.1206 0.1243 0.0211 0.0018 -0.0102 335 ALA A O 4834 C CB . ALA A 335 ? 0.1190 0.1687 0.1594 0.0265 -0.0157 -0.0221 335 ALA A CB 4840 N N . PHE A 336 ? 0.1029 0.1249 0.1319 0.0311 0.0071 -0.0012 336 PHE A N 4841 C CA . PHE A 336 ? 0.1095 0.1114 0.1315 0.0192 0.0088 -0.0018 336 PHE A CA 4842 C C . PHE A 336 ? 0.1233 0.1148 0.1550 0.0228 0.0024 -0.0102 336 PHE A C 4843 O O . PHE A 336 ? 0.1250 0.1410 0.1626 0.0465 0.0060 0.0093 336 PHE A O 4844 C CB . PHE A 336 ? 0.1054 0.1411 0.1443 0.0273 0.0050 -0.0189 336 PHE A CB 4845 C CG . PHE A 336 ? 0.0871 0.1389 0.1601 0.0194 -0.0007 -0.0229 336 PHE A CG 4846 C CD1 . PHE A 336 ? 0.0886 0.1451 0.1542 0.0150 -0.0033 -0.0201 336 PHE A CD1 4847 C CD2 . PHE A 336 ? 0.1042 0.1330 0.1835 0.0092 0.0139 -0.0134 336 PHE A CD2 4848 C CE1 . PHE A 336 ? 0.0915 0.1925 0.1620 0.0155 0.0089 -0.0442 336 PHE A CE1 4849 C CE2 . PHE A 336 ? 0.1142 0.1427 0.2085 0.0246 0.0117 -0.0398 336 PHE A CE2 4850 C CZ . PHE A 336 ? 0.0944 0.1691 0.1850 0.0013 0.0091 -0.0644 336 PHE A CZ 4860 N N . ALA A 337 ? 0.0875 0.1333 0.1547 0.0342 0.0012 -0.0065 337 ALA A N 4861 C CA . ALA A 337 ? 0.0918 0.1506 0.1835 0.0425 0.0027 -0.0042 337 ALA A CA 4862 C C . ALA A 337 ? 0.0874 0.1278 0.2061 0.0399 0.0020 -0.0203 337 ALA A C 4863 O O . ALA A 337 ? 0.0892 0.1334 0.1858 0.0284 0.0117 -0.0222 337 ALA A O 4864 C CB . ALA A 337 ? 0.1119 0.2112 0.2243 0.0449 -0.0224 -0.0116 337 ALA A CB 4870 N N . ASN A 338 ? 0.0977 0.1189 0.2140 0.0143 0.0332 -0.0172 338 ASN A N 4871 C CA . ASN A 338 ? 0.0756 0.1207 0.2286 0.0127 0.0150 -0.0439 338 ASN A CA 4872 C C . ASN A 338 ? 0.1185 0.1395 0.1992 0.0262 0.0037 -0.0493 338 ASN A C 4873 O O . ASN A 338 ? 0.1225 0.2022 0.2308 0.0423 0.0298 -0.0209 338 ASN A O 4880 N N . GLY A 339 ? 0.1116 0.1360 0.2079 0.0231 0.0122 -0.0465 339 GLY A N 4881 C CA . GLY A 339 ? 0.1572 0.1532 0.1937 0.0209 -0.0247 -0.0387 339 GLY A CA 4882 C C . GLY A 339 ? 0.1152 0.1563 0.1785 0.0377 -0.0046 -0.0504 339 GLY A C 4883 O O . GLY A 339 ? 0.1735 0.1981 0.2075 0.0562 -0.0296 -0.0308 339 GLY A O 4887 N N . ARG A 340 ? 0.1054 0.1456 0.1708 0.0274 0.0026 -0.0389 340 ARG A N 4888 C CA . ARG A 340 ? 0.1433 0.1365 0.1821 0.0347 0.0353 -0.0468 340 ARG A CA 4889 C C . ARG A 340 ? 0.1133 0.1167 0.1517 0.0274 0.0111 -0.0155 340 ARG A C 4890 O O . ARG A 340 ? 0.0925 0.1354 0.1729 0.0443 0.0025 -0.0108 340 ARG A O 4891 C CB . ARG A 340 ? 0.1699 0.2047 0.3358 -0.0247 0.1040 -0.1063 340 ARG A CB 4892 C CG . ARG A 340 ? 0.1197 0.3321 0.3564 -0.0333 0.0882 -0.1145 340 ARG A CG 4893 C CD . ARG A 340 ? 0.2967 0.3480 0.3183 0.0538 0.1389 -0.1462 340 ARG A CD 4894 N NE . ARG A 340 ? 0.1389 0.2545 0.1771 -0.0579 0.0558 -0.0447 340 ARG A NE 4895 C CZ . ARG A 340 ? 0.2309 0.2894 0.2058 -0.0364 0.0969 -0.0239 340 ARG A CZ 4896 N NH1 . ARG A 340 ? 0.2982 0.2933 0.2454 -0.0982 0.1286 -0.0294 340 ARG A NH1 4897 N NH2 . ARG A 340 ? 0.1694 0.4287 0.2126 -0.0362 0.0209 -0.0543 340 ARG A NH2 4911 N N . PHE A 341 ? 0.0992 0.1087 0.1278 0.0179 0.0035 -0.0125 341 PHE A N 4912 C CA . PHE A 341 ? 0.0811 0.1035 0.1322 0.0127 0.0058 -0.0095 341 PHE A CA 4913 C C . PHE A 341 ? 0.0818 0.1175 0.1325 0.0090 0.0046 -0.0097 341 PHE A C 4914 O O . PHE A 341 ? 0.1027 0.1368 0.1408 -0.0030 0.0196 -0.0142 341 PHE A O 4915 C CB . PHE A 341 ? 0.0751 0.1155 0.1478 0.0090 0.0031 -0.0130 341 PHE A CB 4916 C CG . PHE A 341 ? 0.0891 0.1001 0.1305 0.0168 -0.0094 -0.0051 341 PHE A CG 4917 C CD1 . PHE A 341 ? 0.1138 0.1141 0.1317 0.0171 -0.0166 -0.0058 341 PHE A CD1 4918 C CD2 . PHE A 341 ? 0.0809 0.1064 0.1451 0.0230 0.0074 -0.0100 341 PHE A CD2 4919 C CE1 . PHE A 341 ? 0.1101 0.1179 0.1406 0.0191 -0.0247 -0.0162 341 PHE A CE1 4920 C CE2 . PHE A 341 ? 0.0810 0.1130 0.1462 0.0117 0.0013 -0.0023 341 PHE A CE2 4921 C CZ . PHE A 341 ? 0.0904 0.1031 0.1702 0.0161 -0.0088 -0.0136 341 PHE A CZ 4931 N N . SER A 342 ? 0.0972 0.1220 0.1293 0.0044 0.0061 -0.0152 342 SER A N 4932 C CA . SER A 342 ? 0.0986 0.1252 0.1462 -0.0058 0.0057 -0.0309 342 SER A CA 4933 C C . SER A 342 ? 0.0915 0.1211 0.1362 0.0045 0.0034 -0.0178 342 SER A C 4934 O O . SER A 342 ? 0.1074 0.1295 0.1337 0.0040 0.0022 -0.0157 342 SER A O 4935 C CB . SER A 342 ? 0.1035 0.1535 0.1620 0.0117 0.0007 -0.0462 342 SER A CB 4936 O OG . SER A 342 ? 0.1132 0.1863 0.1530 0.0322 -0.0069 -0.0192 342 SER A OG 4941 N N . ILE A 343 ? 0.0842 0.1257 0.1518 0.0040 0.0077 -0.0232 343 ILE A N 4942 C CA . ILE A 343 ? 0.0891 0.1156 0.1417 -0.0012 0.0042 -0.0308 343 ILE A CA 4943 C C . ILE A 343 ? 0.0936 0.1526 0.1547 0.0070 -0.0119 -0.0405 343 ILE A C 4944 O O . ILE A 343 ? 0.0863 0.1528 0.1851 0.0028 -0.0030 -0.0312 343 ILE A O 4945 C CB . ILE A 343 ? 0.0900 0.1334 0.1420 -0.0015 0.0079 -0.0096 343 ILE A CB 4946 C CG1 . ILE A 343 ? 0.0926 0.1286 0.1475 -0.0033 0.0121 -0.0173 343 ILE A CG1 4947 C CG2 . ILE A 343 ? 0.1063 0.1369 0.1525 0.0116 0.0123 -0.0210 343 ILE A CG2 4948 C CD1 . ILE A 343 ? 0.0973 0.1404 0.1419 0.0071 0.0115 -0.0070 343 ILE A CD1 4960 N N . ASP A 344 ? 0.1016 0.1846 0.1500 -0.0080 -0.0069 -0.0559 344 ASP A N 4961 C CA . ASP A 344 ? 0.1306 0.1809 0.1695 -0.0019 -0.0265 -0.0465 344 ASP A CA 4962 C C . ASP A 344 ? 0.1118 0.2133 0.1655 -0.0096 -0.0233 -0.0373 344 ASP A C 4963 O O . ASP A 344 ? 0.1033 0.2720 0.2052 -0.0287 -0.0126 -0.0559 344 ASP A O 4970 N N . GLY A 345 ? 0.1080 0.2076 0.1485 0.0029 -0.0172 -0.0227 345 GLY A N 4971 C CA . GLY A 345 ? 0.1017 0.2497 0.1640 0.0295 -0.0194 -0.0151 345 GLY A CA 4972 C C . GLY A 345 ? 0.0662 0.2049 0.1847 0.0190 -0.0187 0.0025 345 GLY A C 4973 O O . GLY A 345 ? 0.1055 0.2913 0.1919 0.0652 0.0025 0.0210 345 GLY A O 4977 N N . VAL A 346 ? 0.0871 0.1614 0.1619 0.0107 -0.0228 -0.0248 346 VAL A N 4978 C CA . VAL A 346 ? 0.0860 0.1544 0.1661 0.0000 -0.0206 -0.0156 346 VAL A CA 4979 C C . VAL A 346 ? 0.0669 0.1323 0.1664 0.0074 -0.0140 -0.0040 346 VAL A C 4980 O O . VAL A 346 ? 0.0750 0.1639 0.1600 0.0014 -0.0078 -0.0254 346 VAL A O 4981 C CB . VAL A 346 ? 0.0849 0.1563 0.2431 -0.0157 -0.0326 -0.0072 346 VAL A CB 4982 C CG1 . VAL A 346 ? 0.1141 0.1506 0.2675 -0.0088 -0.0323 0.0133 346 VAL A CG1 4983 C CG2 . VAL A 346 ? 0.1008 0.1724 0.2473 -0.0029 -0.0312 -0.0286 346 VAL A CG2 4993 N N . SER A 347 ? 0.0732 0.1308 0.1591 0.0118 -0.0036 -0.0137 347 SER A N 4994 C CA . SER A 347 ? 0.0831 0.1339 0.1428 -0.0021 0.0019 -0.0064 347 SER A CA 4995 C C . SER A 347 ? 0.0793 0.1324 0.1419 0.0010 0.0149 0.0012 347 SER A C 4996 O O . SER A 347 ? 0.0773 0.1382 0.1953 0.0105 0.0149 0.0184 347 SER A O 4997 C CB . SER A 347 ? 0.0920 0.1397 0.1592 0.0084 0.0032 0.0060 347 SER A CB 4998 O OG . SER A 347 ? 0.0994 0.1372 0.1504 0.0027 0.0082 -0.0046 347 SER A OG 5003 N N . PHE A 348 ? 0.0782 0.1189 0.1446 -0.0025 0.0100 -0.0035 348 PHE A N 5004 C CA . PHE A 348 ? 0.0728 0.1177 0.1366 -0.0024 -0.0030 -0.0113 348 PHE A CA 5005 C C . PHE A 348 ? 0.0835 0.1333 0.1378 -0.0005 0.0004 -0.0002 348 PHE A C 5006 O O . PHE A 348 ? 0.1055 0.1522 0.1374 -0.0144 0.0150 -0.0203 348 PHE A O 5007 C CB . PHE A 348 ? 0.0725 0.1283 0.1370 -0.0042 0.0132 -0.0179 348 PHE A CB 5008 C CG . PHE A 348 ? 0.0642 0.1354 0.1403 0.0167 0.0046 0.0000 348 PHE A CG 5009 C CD1 . PHE A 348 ? 0.0908 0.1658 0.1400 0.0160 0.0118 0.0002 348 PHE A CD1 5010 C CD2 . PHE A 348 ? 0.0896 0.1259 0.1782 0.0093 -0.0105 -0.0060 348 PHE A CD2 5011 C CE1 . PHE A 348 ? 0.1005 0.1937 0.1440 0.0222 0.0087 0.0398 348 PHE A CE1 5012 C CE2 . PHE A 348 ? 0.0788 0.1324 0.2383 0.0011 -0.0085 0.0076 348 PHE A CE2 5013 C CZ . PHE A 348 ? 0.0896 0.1526 0.2314 0.0095 0.0300 0.0531 348 PHE A CZ 5023 N N . VAL A 349 ? 0.0664 0.1450 0.1369 -0.0063 0.0124 -0.0046 349 VAL A N 5024 C CA . VAL A 349 ? 0.0765 0.1494 0.1390 0.0138 0.0120 0.0032 349 VAL A CA 5025 C C . VAL A 349 ? 0.0815 0.1404 0.1375 -0.0015 0.0201 0.0020 349 VAL A C 5026 O O . VAL A 349 ? 0.0935 0.1533 0.1487 -0.0082 0.0036 -0.0093 349 VAL A O 5027 C CB . VAL A 349 ? 0.0774 0.1718 0.1646 0.0101 0.0312 0.0263 349 VAL A CB 5028 C CG1 . VAL A 349 ? 0.1151 0.2127 0.1712 0.0338 0.0273 0.0158 349 VAL A CG1 5029 C CG2 . VAL A 349 ? 0.1016 0.1863 0.2038 0.0397 0.0277 0.0218 349 VAL A CG2 5039 N N . PRO A 350 ? 0.0897 0.1334 0.1517 -0.0072 0.0046 0.0043 350 PRO A N 5040 C CA . PRO A 350 ? 0.0895 0.1326 0.1556 -0.0085 0.0098 0.0116 350 PRO A CA 5041 C C . PRO A 350 ? 0.1014 0.1256 0.1569 -0.0040 0.0135 0.0094 350 PRO A C 5042 O O . PRO A 350 ? 0.1164 0.1514 0.1739 0.0071 0.0328 0.0024 350 PRO A O 5043 C CB . PRO A 350 ? 0.1252 0.1515 0.1707 0.0083 -0.0083 0.0002 350 PRO A CB 5044 C CG . PRO A 350 ? 0.2120 0.1555 0.2800 0.0131 -0.0983 -0.0125 350 PRO A CG 5045 C CD . PRO A 350 ? 0.1442 0.1371 0.1652 -0.0166 -0.0330 -0.0007 350 PRO A CD 5053 N N . PRO A 351 ? 0.0939 0.1301 0.1584 -0.0020 0.0094 0.0086 351 PRO A N 5054 C CA . PRO A 351 ? 0.0767 0.1435 0.1595 -0.0034 0.0115 0.0050 351 PRO A CA 5055 C C . PRO A 351 ? 0.0801 0.1521 0.1520 -0.0023 0.0130 -0.0034 351 PRO A C 5056 O O . PRO A 351 ? 0.1059 0.1671 0.1570 -0.0216 0.0137 0.0029 351 PRO A O 5057 C CB . PRO A 351 ? 0.1034 0.1396 0.1625 -0.0246 -0.0173 -0.0016 351 PRO A CB 5058 C CG . PRO A 351 ? 0.0954 0.1343 0.1425 -0.0019 -0.0043 -0.0008 351 PRO A CG 5059 C CD . PRO A 351 ? 0.0793 0.1416 0.1365 -0.0042 -0.0132 0.0035 351 PRO A CD 5067 N N . THR A 352 ? 0.0948 0.1577 0.1701 -0.0136 0.0224 -0.0077 352 THR A N 5068 C CA . THR A 352 ? 0.1292 0.1780 0.1540 -0.0176 0.0359 0.0078 352 THR A CA 5069 C C . THR A 352 ? 0.1113 0.1673 0.1437 -0.0194 0.0203 0.0120 352 THR A C 5070 O O . THR A 352 ? 0.1662 0.1946 0.1599 -0.0249 -0.0077 0.0040 352 THR A O 5071 C CB . THR A 352 ? 0.1390 0.2192 0.2265 0.0150 0.0805 0.0174 352 THR A CB 5072 O OG1 . THR A 352 ? 0.1876 0.2437 0.3006 0.0316 0.0915 0.0218 352 THR A OG1 5073 C CG2 . THR A 352 ? 0.1682 0.2833 0.2441 -0.0059 0.0959 0.0383 352 THR A CG2 5080 N N . VAL A 353 ? 0.0915 0.1531 0.1689 -0.0216 0.0170 0.0006 353 VAL A N 5081 C CA . VAL A 353 ? 0.1057 0.1463 0.1610 -0.0242 0.0198 0.0016 353 VAL A CA 5082 C C . VAL A 353 ? 0.0871 0.1396 0.1451 -0.0225 0.0042 0.0055 353 VAL A C 5083 O O . VAL A 353 ? 0.0933 0.1410 0.1442 -0.0180 0.0020 0.0038 353 VAL A O 5084 C CB . VAL A 353 ? 0.0880 0.1634 0.1911 -0.0285 0.0012 0.0152 353 VAL A CB 5085 C CG1 . VAL A 353 ? 0.1119 0.1558 0.2004 -0.0382 0.0175 0.0121 353 VAL A CG1 5086 C CG2 . VAL A 353 ? 0.1097 0.1850 0.2244 -0.0364 0.0227 0.0206 353 VAL A CG2 5096 N N . PRO A 354 ? 0.0785 0.1367 0.1507 -0.0176 0.0112 0.0095 354 PRO A N 5097 C CA . PRO A 354 ? 0.0857 0.1338 0.1391 -0.0323 0.0033 0.0115 354 PRO A CA 5098 C C . PRO A 354 ? 0.0705 0.1198 0.1381 -0.0090 0.0069 0.0009 354 PRO A C 5099 O O . PRO A 354 ? 0.0910 0.1212 0.1621 -0.0213 0.0138 0.0052 354 PRO A O 5100 C CB . PRO A 354 ? 0.1066 0.1471 0.1484 -0.0176 -0.0007 0.0065 354 PRO A CB 5101 C CG . PRO A 354 ? 0.1053 0.1574 0.1487 -0.0223 -0.0071 0.0270 354 PRO A CG 5102 C CD . PRO A 354 ? 0.1152 0.1602 0.1389 -0.0337 0.0108 0.0038 354 PRO A CD 5110 N N . VAL A 355 ? 0.0860 0.1121 0.1296 -0.0169 0.0085 -0.0003 355 VAL A N 5111 C CA . VAL A 355 ? 0.0736 0.1226 0.1387 -0.0218 -0.0010 -0.0006 355 VAL A CA 5112 C C . VAL A 355 ? 0.0724 0.1231 0.1360 -0.0250 0.0061 -0.0056 355 VAL A C 5113 O O . VAL A 355 ? 0.0848 0.1065 0.1631 -0.0263 -0.0102 -0.0012 355 VAL A O 5114 C CB . VAL A 355 ? 0.0757 0.1194 0.1393 -0.0183 -0.0039 0.0051 355 VAL A CB 5115 C CG1 . VAL A 355 ? 0.0870 0.1385 0.1356 -0.0219 0.0079 0.0140 355 VAL A CG1 5116 C CG2 . VAL A 355 ? 0.0808 0.1238 0.1424 -0.0152 -0.0051 0.0076 355 VAL A CG2 5126 N N . LEU A 356 ? 0.0808 0.1083 0.1487 -0.0146 -0.0003 -0.0037 356 LEU A N 5127 C CA . LEU A 356 ? 0.0869 0.1072 0.1362 -0.0232 0.0033 0.0007 356 LEU A CA 5128 C C . LEU A 356 ? 0.0903 0.1138 0.1492 -0.0214 -0.0042 0.0093 356 LEU A C 5129 O O . LEU A 356 ? 0.1027 0.1121 0.1854 -0.0309 -0.0051 -0.0034 356 LEU A O 5130 C CB . LEU A 356 ? 0.0852 0.1061 0.1452 -0.0173 0.0054 0.0050 356 LEU A CB 5131 C CG . LEU A 356 ? 0.0856 0.1083 0.1481 -0.0200 0.0074 0.0149 356 LEU A CG 5132 C CD1 . LEU A 356 ? 0.1182 0.1145 0.1569 -0.0123 -0.0005 0.0031 356 LEU A CD1 5133 C CD2 . LEU A 356 ? 0.0931 0.1222 0.1556 -0.0162 0.0070 0.0139 356 LEU A CD2 5145 N N . LEU A 357 ? 0.0884 0.1286 0.1439 -0.0271 0.0098 0.0097 357 LEU A N 5146 C CA . LEU A 357 ? 0.0981 0.1193 0.1816 -0.0335 0.0167 0.0161 357 LEU A CA 5147 C C . LEU A 357 ? 0.1041 0.1260 0.1931 -0.0347 0.0048 0.0219 357 LEU A C 5148 O O . LEU A 357 ? 0.1096 0.1264 0.2324 -0.0401 0.0064 0.0200 357 LEU A O 5149 C CB . LEU A 357 ? 0.1058 0.1319 0.1822 -0.0139 0.0177 0.0191 357 LEU A CB 5150 C CG . LEU A 357 ? 0.1178 0.1712 0.2156 -0.0267 0.0254 0.0438 357 LEU A CG 5151 C CD1 . LEU A 357 ? 0.1604 0.1704 0.2297 -0.0356 0.0260 0.0751 357 LEU A CD1 5152 C CD2 . LEU A 357 ? 0.1623 0.1959 0.2030 -0.0262 0.0426 0.0484 357 LEU A CD2 5164 N N . GLN A 358 ? 0.0810 0.1287 0.1785 -0.0245 0.0007 0.0119 358 GLN A N 5165 C CA . GLN A 358 ? 0.0880 0.1392 0.1743 -0.0272 0.0018 0.0070 358 GLN A CA 5166 C C . GLN A 358 ? 0.0788 0.1446 0.1835 -0.0296 -0.0012 -0.0078 358 GLN A C 5167 O O . GLN A 358 ? 0.1112 0.1287 0.2204 -0.0362 -0.0051 -0.0199 358 GLN A O 5168 C CB . GLN A 358 ? 0.0844 0.1399 0.1822 -0.0242 -0.0072 -0.0041 358 GLN A CB 5169 C CG . GLN A 358 ? 0.0770 0.1528 0.1631 -0.0209 0.0004 -0.0012 358 GLN A CG 5170 C CD . GLN A 358 ? 0.0814 0.1477 0.1665 -0.0238 -0.0084 -0.0009 358 GLN A CD 5171 O OE1 . GLN A 358 ? 0.1064 0.1384 0.1762 -0.0111 -0.0222 -0.0066 358 GLN A OE1 5172 N NE2 . GLN A 358 ? 0.0768 0.1508 0.1614 -0.0152 -0.0011 -0.0038 358 GLN A NE2 5181 N N . ILE A 359 ? 0.0812 0.1407 0.1796 -0.0270 -0.0004 -0.0125 359 ILE A N 5182 C CA . ILE A 359 ? 0.0946 0.1275 0.1828 -0.0140 -0.0123 -0.0282 359 ILE A CA 5183 C C . ILE A 359 ? 0.1094 0.1148 0.2581 -0.0134 -0.0238 -0.0295 359 ILE A C 5184 O O . ILE A 359 ? 0.1393 0.1240 0.2820 -0.0269 -0.0306 -0.0405 359 ILE A O 5185 C CB . ILE A 359 ? 0.0928 0.1465 0.1940 -0.0069 -0.0050 -0.0323 359 ILE A CB 5186 C CG1 . ILE A 359 ? 0.0973 0.1431 0.1773 -0.0185 0.0022 -0.0221 359 ILE A CG1 5187 C CG2 . ILE A 359 ? 0.1245 0.1449 0.2252 -0.0164 -0.0032 -0.0473 359 ILE A CG2 5188 C CD1 . ILE A 359 ? 0.0915 0.1730 0.1897 -0.0192 0.0009 -0.0071 359 ILE A CD1 5200 N N . LEU A 360 ? 0.1194 0.1130 0.2399 -0.0200 -0.0266 -0.0018 360 LEU A N 5201 C CA . LEU A 360 ? 0.1109 0.1253 0.2707 -0.0188 -0.0301 0.0022 360 LEU A CA 5202 C C . LEU A 360 ? 0.1638 0.1230 0.2948 -0.0517 -0.0058 0.0201 360 LEU A C 5203 O O . LEU A 360 ? 0.1998 0.1298 0.4098 -0.0543 0.0083 0.0345 360 LEU A O 5204 C CB . LEU A 360 ? 0.1887 0.1342 0.2441 -0.0254 -0.0375 0.0108 360 LEU A CB 5205 C CG . LEU A 360 ? 0.1875 0.1865 0.3405 -0.0242 -0.0333 0.0230 360 LEU A CG 5206 C CD1 . LEU A 360 ? 0.1810 0.1913 0.3631 -0.0116 -0.0524 0.0046 360 LEU A CD1 5207 C CD2 . LEU A 360 ? 0.1450 0.2681 0.3869 -0.0289 0.0235 0.0729 360 LEU A CD2 5219 N N . SER A 361 ? 0.1370 0.1403 0.3297 -0.0610 -0.0011 0.0048 361 SER A N 5220 C CA . SER A 361 ? 0.1621 0.1806 0.3301 -0.0720 0.0308 0.0415 361 SER A CA 5221 C C . SER A 361 ? 0.1951 0.2476 0.4318 -0.1389 -0.0102 0.0082 361 SER A C 5222 O O . SER A 361 ? 0.2100 0.3969 0.5257 -0.1807 0.0121 0.0353 361 SER A O 5223 C CB . SER A 361 ? 0.1443 0.2074 0.4100 -0.0454 0.0687 0.0430 361 SER A CB 5224 O OG . SER A 361 ? 0.3093 0.2892 0.3731 -0.1072 0.0921 0.0379 361 SER A OG 5229 N N . GLY A 362 ? 0.2073 0.1986 0.4080 -0.1064 -0.0206 0.0088 362 GLY A N 5230 C CA . GLY A 362 ? 0.2462 0.1746 0.5346 -0.1087 -0.1244 0.0282 362 GLY A CA 5231 C C . GLY A 362 ? 0.2068 0.2149 0.3798 -0.1053 -0.0760 -0.0219 362 GLY A C 5232 O O . GLY A 362 ? 0.3469 0.3254 0.4342 -0.2198 -0.1396 0.0316 362 GLY A O 5236 N N . ALA A 363 ? 0.1729 0.1803 0.3544 -0.0713 -0.0189 0.0014 363 ALA A N 5237 C CA . ALA A 363 ? 0.1476 0.2401 0.2698 -0.0892 -0.0188 -0.0114 363 ALA A CA 5238 C C . ALA A 363 ? 0.1825 0.2577 0.2800 -0.0711 -0.0133 -0.0660 363 ALA A C 5239 O O . ALA A 363 ? 0.1833 0.5240 0.3609 -0.0205 0.0072 -0.0307 363 ALA A O 5240 C CB . ALA A 363 ? 0.2043 0.2035 0.3934 -0.0095 -0.0876 -0.0486 363 ALA A CB 5245 N N . GLN A 364 ? 0.2437 0.2127 0.2615 -0.0913 0.0353 -0.0687 364 GLN A N 5246 C CA . GLN A 364 ? 0.4666 0.2180 0.3048 0.0101 0.1003 -0.0534 364 GLN A CA 5247 C C . GLN A 364 ? 0.2498 0.2328 0.2517 -0.0256 0.0642 -0.0700 364 GLN A C 5248 O O . GLN A 364 ? 0.2157 0.3169 0.3544 0.0051 0.0903 -0.1223 364 GLN A O 5254 N N . ASN A 365 ? 0.2426 0.2054 0.2547 -0.0528 0.0186 -0.0719 365 ASN A N 5255 C CA . ASN A 365 ? 0.2259 0.2258 0.2325 -0.0072 -0.0108 -0.0831 365 ASN A CA 5256 C C . ASN A 365 ? 0.1728 0.2223 0.2396 -0.0398 0.0190 -0.0769 365 ASN A C 5257 O O . ASN A 365 ? 0.2474 0.2047 0.2138 -0.0494 0.0081 -0.0574 365 ASN A O 5258 C CB . ASN A 365 ? 0.2871 0.2970 0.3952 -0.0329 -0.0995 -0.1602 365 ASN A CB 5259 C CG . ASN A 365 ? 0.1919 0.5910 0.6584 -0.0707 -0.1359 -0.1461 365 ASN A CG 5265 N N . ALA A 366 ? 0.1816 0.2488 0.2371 -0.0601 0.0180 -0.0847 366 ALA A N 5266 C CA . ALA A 366 ? 0.1428 0.2459 0.2799 -0.0593 0.0447 -0.0623 366 ALA A CA 5267 C C . ALA A 366 ? 0.1739 0.1812 0.1931 -0.0073 -0.0012 -0.0243 366 ALA A C 5268 O O . ALA A 366 ? 0.2767 0.1983 0.2187 0.0088 -0.0102 -0.0544 366 ALA A O 5269 C CB . ALA A 366 ? 0.3697 0.3434 0.3125 -0.2062 0.1097 -0.1103 366 ALA A CB 5275 N N . GLN A 367 ? 0.2213 0.2862 0.2209 0.0018 -0.0648 -0.0177 367 GLN A N 5276 C CA . GLN A 367 ? 0.2210 0.4383 0.2815 0.0684 -0.1290 -0.0191 367 GLN A CA 5277 C C . GLN A 367 ? 0.2098 0.3091 0.2330 0.0553 -0.0813 -0.1021 367 GLN A C 5278 O O . GLN A 367 ? 0.1730 0.4076 0.4527 0.0029 -0.0073 -0.1591 367 GLN A O 5285 N N . ASP A 368 ? 0.1086 0.3274 0.2462 -0.0101 -0.0148 -0.0698 368 ASP A N 5286 C CA . ASP A 368 ? 0.1155 0.3175 0.2834 -0.0432 -0.0003 -0.1052 368 ASP A CA 5287 C C . ASP A 368 ? 0.1059 0.3979 0.2401 -0.0804 0.0227 -0.1217 368 ASP A C 5288 O O . ASP A 368 ? 0.1838 0.5610 0.2659 -0.2008 0.0704 -0.1475 368 ASP A O 5289 C CB . ASP A 368 ? 0.2506 0.3084 0.3026 -0.0658 0.0532 -0.0894 368 ASP A CB 5290 C CG . ASP A 368 ? 0.3943 0.4111 0.4857 -0.0267 -0.0426 -0.2137 368 ASP A CG 5291 O OD1 . ASP A 368 ? 0.1631 0.6819 0.5048 -0.1363 -0.0300 -0.1844 368 ASP A OD1 5292 O OD2 . ASP A 368 ? 0.2153 0.4648 0.7114 -0.0119 -0.0500 -0.3015 368 ASP A OD2 5297 N N . LEU A 369 ? 0.1142 0.2128 0.1916 -0.0184 -0.0105 -0.0596 369 LEU A N 5298 C CA . LEU A 369 ? 0.0974 0.1670 0.1815 -0.0014 -0.0118 -0.0227 369 LEU A CA 5299 C C . LEU A 369 ? 0.0997 0.1584 0.1757 0.0075 -0.0136 -0.0072 369 LEU A C 5300 O O . LEU A 369 ? 0.1573 0.1699 0.1909 0.0318 -0.0390 -0.0191 369 LEU A O 5301 C CB . LEU A 369 ? 0.0949 0.1441 0.2022 -0.0067 0.0003 -0.0179 369 LEU A CB 5302 C CG . LEU A 369 ? 0.0950 0.1390 0.2073 -0.0160 0.0016 -0.0130 369 LEU A CG 5303 C CD1 . LEU A 369 ? 0.1385 0.1672 0.2035 0.0008 0.0184 0.0132 369 LEU A CD1 5304 C CD2 . LEU A 369 ? 0.1294 0.1893 0.2080 0.0087 0.0029 -0.0048 369 LEU A CD2 5316 N N . LEU A 370 ? 0.0899 0.1380 0.1565 -0.0049 -0.0195 -0.0064 370 LEU A N 5317 C CA . LEU A 370 ? 0.0875 0.1336 0.1769 -0.0151 0.0067 -0.0127 370 LEU A CA 5318 C C . LEU A 370 ? 0.0814 0.1357 0.1473 -0.0029 0.0020 -0.0043 370 LEU A C 5319 O O . LEU A 370 ? 0.0831 0.1470 0.1726 0.0014 -0.0149 -0.0045 370 LEU A O 5320 C CB . LEU A 370 ? 0.1006 0.1414 0.1676 -0.0056 -0.0165 -0.0113 370 LEU A CB 5321 C CG . LEU A 370 ? 0.1012 0.1754 0.2140 -0.0339 -0.0024 -0.0099 370 LEU A CG 5322 C CD1 . LEU A 370 ? 0.1149 0.2693 0.2408 -0.0271 0.0036 -0.0024 370 LEU A CD1 5323 C CD2 . LEU A 370 ? 0.1026 0.1822 0.2808 0.0079 -0.0380 0.0036 370 LEU A CD2 5335 N N . PRO A 371 ? 0.0831 0.1350 0.1499 -0.0032 -0.0041 0.0013 371 PRO A N 5336 C CA . PRO A 371 ? 0.0924 0.1442 0.1694 -0.0031 -0.0008 0.0020 371 PRO A CA 5337 C C . PRO A 371 ? 0.0795 0.1293 0.1768 0.0026 0.0046 -0.0125 371 PRO A C 5338 O O . PRO A 371 ? 0.0711 0.1710 0.1514 0.0098 -0.0115 -0.0048 371 PRO A O 5339 C CB . PRO A 371 ? 0.1008 0.1342 0.1903 -0.0044 -0.0002 -0.0129 371 PRO A CB 5340 C CG . PRO A 371 ? 0.1146 0.1566 0.1697 -0.0263 -0.0035 -0.0072 371 PRO A CG 5341 C CD . PRO A 371 ? 0.0981 0.1432 0.1557 -0.0187 -0.0163 -0.0022 371 PRO A CD 5349 N N . ALA A 372 ? 0.0739 0.1431 0.1872 0.0067 -0.0061 0.0000 372 ALA A N 5350 C CA . ALA A 372 ? 0.0728 0.1627 0.2010 -0.0134 -0.0179 -0.0012 372 ALA A CA 5351 C C . ALA A 372 ? 0.0571 0.1549 0.1747 -0.0002 -0.0209 -0.0146 372 ALA A C 5352 O O . ALA A 372 ? 0.1096 0.1400 0.1836 0.0144 -0.0080 -0.0072 372 ALA A O 5353 C CB . ALA A 372 ? 0.0780 0.2170 0.2654 -0.0122 -0.0225 0.0227 372 ALA A CB 5359 N N . GLY A 373 ? 0.0671 0.1522 0.1837 -0.0072 -0.0223 -0.0182 373 GLY A N 5360 C CA . GLY A 373 ? 0.0866 0.1752 0.1544 0.0061 -0.0154 -0.0199 373 GLY A CA 5361 C C . GLY A 373 ? 0.0842 0.1429 0.1672 0.0020 -0.0106 -0.0126 373 GLY A C 5362 O O . GLY A 373 ? 0.1127 0.1918 0.1731 -0.0166 -0.0140 0.0034 373 GLY A O 5366 N N . SER A 374 ? 0.0727 0.1380 0.1560 -0.0041 -0.0126 -0.0071 374 SER A N 5367 C CA . SER A 374 ? 0.0637 0.1317 0.1805 0.0017 -0.0166 -0.0125 374 SER A CA 5368 C C . SER A 374 ? 0.0599 0.1252 0.1910 -0.0032 -0.0198 -0.0122 374 SER A C 5369 O O . SER A 374 ? 0.0713 0.1450 0.2711 0.0029 -0.0321 -0.0598 374 SER A O 5370 C CB . SER A 374 ? 0.0920 0.1290 0.1802 0.0048 -0.0268 -0.0194 374 SER A CB 5371 O OG . SER A 374 ? 0.0935 0.1357 0.1813 0.0080 -0.0080 -0.0204 374 SER A OG 5376 N N . VAL A 375 ? 0.0624 0.1326 0.1872 -0.0002 -0.0227 -0.0241 375 VAL A N 5377 C CA . VAL A 375 ? 0.0773 0.1294 0.2012 0.0023 -0.0297 -0.0295 375 VAL A CA 5378 C C . VAL A 375 ? 0.0816 0.1635 0.2195 -0.0062 -0.0350 -0.0551 375 VAL A C 5379 O O . VAL A 375 ? 0.0890 0.2254 0.2699 0.0109 -0.0600 -0.1000 375 VAL A O 5380 C CB . VAL A 375 ? 0.0669 0.1445 0.2652 -0.0028 0.0073 -0.0081 375 VAL A CB 5381 C CG1 . VAL A 375 ? 0.0940 0.1521 0.2761 0.0027 0.0010 0.0040 375 VAL A CG1 5382 C CG2 . VAL A 375 ? 0.0792 0.1599 0.2360 -0.0096 0.0074 0.0346 375 VAL A CG2 5392 N N . ILE A 376 ? 0.0886 0.1371 0.1689 0.0041 -0.0384 -0.0319 376 ILE A N 5393 C CA . ILE A 376 ? 0.1062 0.1543 0.1719 0.0169 -0.0329 -0.0174 376 ILE A CA 5394 C C . ILE A 376 ? 0.0908 0.1412 0.1475 0.0021 -0.0251 -0.0224 376 ILE A C 5395 O O . ILE A 376 ? 0.1073 0.1483 0.1675 0.0109 -0.0446 -0.0356 376 ILE A O 5396 C CB . ILE A 376 ? 0.1719 0.1671 0.1960 -0.0045 -0.0626 0.0042 376 ILE A CB 5397 C CG1 . ILE A 376 ? 0.2136 0.1611 0.3288 0.0110 -0.0606 0.0191 376 ILE A CG1 5398 C CG2 . ILE A 376 ? 0.2123 0.2118 0.1921 -0.0432 -0.0251 0.0222 376 ILE A CG2 5399 C CD1 A ILE A 376 ? 0.2755 0.1143 0.4383 -0.0006 -0.0480 -0.0019 376 ILE A CD1 5400 C CD1 B ILE A 376 ? 0.1699 0.2427 0.3398 0.0014 -0.0003 0.0449 376 ILE A CD1 5413 N N . SER A 377 ? 0.0911 0.1433 0.1669 0.0004 -0.0200 -0.0232 377 SER A N 5414 C CA . SER A 377 ? 0.1217 0.1539 0.1598 0.0012 -0.0066 -0.0325 377 SER A CA 5415 C C . SER A 377 ? 0.0991 0.1845 0.1652 -0.0011 -0.0139 -0.0224 377 SER A C 5416 O O . SER A 377 ? 0.1346 0.2840 0.1846 0.0673 0.0088 0.0124 377 SER A O 5417 C CB . SER A 377 ? 0.1868 0.1568 0.2679 -0.0178 -0.0043 -0.0617 377 SER A CB 5418 O OG A SER A 377 ? 0.1227 0.1740 0.2644 -0.0317 -0.0245 -0.0726 377 SER A OG 5419 O OG B SER A 377 ? 0.2280 0.1649 0.3117 -0.0013 -0.0647 -0.0638 377 SER A OG 5422 N N . LEU A 378 ? 0.1010 0.1444 0.1596 -0.0037 -0.0142 -0.0358 378 LEU A N 5423 C CA . LEU A 378 ? 0.1055 0.1462 0.1579 0.0022 -0.0112 -0.0260 378 LEU A CA 5424 C C . LEU A 378 ? 0.1062 0.1491 0.1545 -0.0124 -0.0080 -0.0321 378 LEU A C 5425 O O . LEU A 378 ? 0.1221 0.1415 0.1614 -0.0152 0.0047 -0.0328 378 LEU A O 5426 C CB . LEU A 378 ? 0.1257 0.1365 0.1524 -0.0118 0.0136 -0.0311 378 LEU A CB 5427 C CG . LEU A 378 ? 0.1475 0.1471 0.1438 -0.0078 0.0122 -0.0337 378 LEU A CG 5428 C CD1 . LEU A 378 ? 0.1335 0.1519 0.1891 -0.0288 0.0366 -0.0585 378 LEU A CD1 5429 C CD2 . LEU A 378 ? 0.1769 0.1344 0.2146 -0.0004 0.0318 -0.0109 378 LEU A CD2 5441 N N . PRO A 379 ? 0.1492 0.1723 0.1637 0.0004 -0.0169 -0.0531 379 PRO A N 5442 C CA . PRO A 379 ? 0.1402 0.1818 0.1916 -0.0281 -0.0077 -0.0672 379 PRO A CA 5443 C C . PRO A 379 ? 0.1645 0.1340 0.1561 -0.0087 -0.0025 -0.0425 379 PRO A C 5444 O O . PRO A 379 ? 0.1523 0.1554 0.2072 -0.0263 -0.0052 -0.0444 379 PRO A O 5445 C CB . PRO A 379 ? 0.2030 0.2433 0.1988 0.0102 -0.0486 -0.1001 379 PRO A CB 5446 C CG . PRO A 379 ? 0.2220 0.2674 0.1558 0.0261 -0.0416 -0.0504 379 PRO A CG 5447 C CD . PRO A 379 ? 0.1648 0.2362 0.1631 -0.0071 -0.0201 -0.0399 379 PRO A CD 5455 N N . SER A 380 ? 0.1681 0.1425 0.1944 -0.0321 0.0085 -0.0340 380 SER A N 5456 C CA . SER A 380 ? 0.1876 0.1421 0.1874 -0.0236 0.0037 -0.0340 380 SER A CA 5457 C C . SER A 380 ? 0.1777 0.1252 0.1676 -0.0217 -0.0097 -0.0295 380 SER A C 5458 O O . SER A 380 ? 0.1832 0.1348 0.1731 -0.0333 -0.0075 -0.0333 380 SER A O 5459 C CB . SER A 380 ? 0.3001 0.1549 0.2471 -0.0241 0.0492 0.0030 380 SER A CB 5460 O OG A SER A 380 ? 0.2288 0.1193 0.2631 -0.0200 0.0423 -0.0051 380 SER A OG 5461 O OG B SER A 380 ? 0.3659 0.2854 0.3011 0.0368 0.0592 0.0510 380 SER A OG 5464 N N . ASN A 381 ? 0.1905 0.1204 0.1675 -0.0327 -0.0014 -0.0311 381 ASN A N 5465 C CA . ASN A 381 ? 0.2061 0.1364 0.1847 0.0086 0.0030 -0.0326 381 ASN A CA 5466 C C . ASN A 381 ? 0.1850 0.1219 0.1811 -0.0040 -0.0049 -0.0324 381 ASN A C 5467 O O . ASN A 381 ? 0.2411 0.1382 0.2015 0.0072 0.0083 -0.0548 381 ASN A O 5468 C CB . ASN A 381 ? 0.2487 0.1376 0.2603 0.0315 0.0111 -0.0330 381 ASN A CB 5469 C CG . ASN A 381 ? 0.3722 0.2768 0.2965 0.0706 0.0199 -0.0713 381 ASN A CG 5470 O OD1 . ASN A 381 ? 0.6722 0.3034 0.4257 0.1189 -0.0345 -0.1151 381 ASN A OD1 5471 N ND2 . ASN A 381 ? 0.3416 0.3920 0.3068 0.1054 0.0048 -0.1164 381 ASN A ND2 5474 N N . SER A 382 ? 0.1873 0.1139 0.1477 -0.0328 0.0132 -0.0307 382 SER A N 5475 C CA . SER A 382 ? 0.1708 0.1160 0.1400 -0.0228 -0.0124 -0.0310 382 SER A CA 5476 C C . SER A 382 ? 0.1421 0.1138 0.1284 -0.0130 -0.0196 -0.0372 382 SER A C 5477 O O . SER A 382 ? 0.1838 0.1309 0.1205 -0.0271 -0.0181 -0.0259 382 SER A O 5478 C CB . SER A 382 ? 0.1396 0.1424 0.1556 -0.0190 -0.0341 -0.0225 382 SER A CB 5479 O OG . SER A 382 ? 0.1704 0.1754 0.1927 -0.0487 -0.0202 -0.0392 382 SER A OG 5484 N N . VAL A 383 ? 0.1405 0.1197 0.1145 -0.0069 -0.0170 -0.0306 383 VAL A N 5485 C CA . VAL A 383 ? 0.1175 0.1161 0.1246 -0.0033 -0.0177 -0.0321 383 VAL A CA 5486 C C . VAL A 383 ? 0.1087 0.1165 0.1107 -0.0092 -0.0134 -0.0241 383 VAL A C 5487 O O . VAL A 383 ? 0.1401 0.1298 0.1135 -0.0104 -0.0277 -0.0279 383 VAL A O 5488 C CB . VAL A 383 ? 0.1478 0.1346 0.1198 -0.0066 -0.0070 -0.0324 383 VAL A CB 5489 C CG1 . VAL A 383 ? 0.1332 0.1303 0.1371 -0.0010 0.0061 -0.0156 383 VAL A CG1 5490 C CG2 . VAL A 383 ? 0.1578 0.1399 0.1618 0.0003 0.0086 -0.0379 383 VAL A CG2 5500 N N . ILE A 384 ? 0.1184 0.1086 0.0971 -0.0096 -0.0250 -0.0208 384 ILE A N 5501 C CA . ILE A 384 ? 0.1104 0.1106 0.1072 -0.0122 -0.0169 -0.0235 384 ILE A CA 5502 C C . ILE A 384 ? 0.1031 0.1163 0.0906 -0.0029 -0.0197 -0.0191 384 ILE A C 5503 O O . ILE A 384 ? 0.1080 0.1143 0.1347 -0.0037 -0.0351 -0.0139 384 ILE A O 5504 C CB . ILE A 384 ? 0.1271 0.1169 0.1026 -0.0096 -0.0197 -0.0238 384 ILE A CB 5505 C CG1 . ILE A 384 ? 0.1524 0.1149 0.0974 -0.0139 -0.0023 -0.0205 384 ILE A CG1 5506 C CG2 . ILE A 384 ? 0.1571 0.1189 0.1155 0.0007 -0.0014 -0.0200 384 ILE A CG2 5507 C CD1 . ILE A 384 ? 0.1386 0.1354 0.1228 -0.0216 0.0059 -0.0158 384 ILE A CD1 5519 N N . GLU A 385 ? 0.1086 0.1029 0.1050 -0.0003 -0.0204 -0.0173 385 GLU A N 5520 C CA . GLU A 385 ? 0.0985 0.1078 0.0956 0.0051 -0.0112 -0.0165 385 GLU A CA 5521 C C . GLU A 385 ? 0.0939 0.1113 0.0973 0.0045 -0.0176 -0.0130 385 GLU A C 5522 O O . GLU A 385 ? 0.0910 0.1346 0.1338 -0.0012 -0.0111 -0.0375 385 GLU A O 5523 C CB . GLU A 385 ? 0.1128 0.1255 0.0859 0.0073 -0.0109 -0.0221 385 GLU A CB 5524 C CG . GLU A 385 ? 0.1087 0.1294 0.0996 0.0063 -0.0124 -0.0155 385 GLU A CG 5525 C CD . GLU A 385 ? 0.1322 0.1559 0.1039 0.0208 -0.0039 -0.0223 385 GLU A CD 5526 O OE1 . GLU A 385 ? 0.1299 0.2050 0.1157 0.0280 -0.0100 -0.0072 385 GLU A OE1 5527 O OE2 . GLU A 385 ? 0.1445 0.1614 0.1105 0.0278 0.0000 -0.0069 385 GLU A OE2 5534 N N . VAL A 386 ? 0.0830 0.1062 0.0882 0.0095 -0.0142 -0.0189 386 VAL A N 5535 C CA . VAL A 386 ? 0.0793 0.1109 0.1026 0.0106 -0.0124 -0.0184 386 VAL A CA 5536 C C . VAL A 386 ? 0.0920 0.0986 0.0940 0.0153 -0.0098 -0.0119 386 VAL A C 5537 O O . VAL A 386 ? 0.0825 0.1092 0.1079 0.0113 -0.0160 -0.0077 386 VAL A O 5538 C CB . VAL A 386 ? 0.0896 0.1187 0.0957 0.0066 -0.0093 -0.0153 386 VAL A CB 5539 C CG1 . VAL A 386 ? 0.1087 0.1225 0.1056 0.0051 0.0106 -0.0167 386 VAL A CG1 5540 C CG2 . VAL A 386 ? 0.1096 0.1257 0.1099 0.0094 0.0053 -0.0123 386 VAL A CG2 5550 N N . ALA A 387 ? 0.1046 0.1123 0.0925 0.0119 -0.0264 -0.0162 387 ALA A N 5551 C CA . ALA A 387 ? 0.1061 0.1138 0.0972 0.0141 -0.0127 -0.0097 387 ALA A CA 5552 C C . ALA A 387 ? 0.0944 0.1102 0.1028 0.0177 -0.0225 -0.0099 387 ALA A C 5553 O O . ALA A 387 ? 0.0854 0.1300 0.1115 0.0092 -0.0081 -0.0118 387 ALA A O 5554 C CB . ALA A 387 ? 0.1324 0.1379 0.0879 0.0189 -0.0183 -0.0145 387 ALA A CB 5560 N N . LEU A 388 ? 0.0930 0.1078 0.0904 0.0131 -0.0165 -0.0092 388 LEU A N 5561 C CA . LEU A 388 ? 0.1031 0.1047 0.0917 0.0178 -0.0078 -0.0116 388 LEU A CA 5562 C C . LEU A 388 ? 0.0998 0.1124 0.0950 0.0213 0.0002 -0.0023 388 LEU A C 5563 O O . LEU A 388 ? 0.1081 0.1116 0.1011 0.0099 -0.0077 -0.0020 388 LEU A O 5564 C CB . LEU A 388 ? 0.0924 0.1122 0.1000 0.0037 -0.0093 -0.0095 388 LEU A CB 5565 C CG . LEU A 388 ? 0.1211 0.1195 0.0904 -0.0034 -0.0204 0.0002 388 LEU A CG 5566 C CD1 . LEU A 388 ? 0.1510 0.1210 0.1516 0.0211 -0.0507 0.0011 388 LEU A CD1 5567 C CD2 . LEU A 388 ? 0.1223 0.1459 0.1397 -0.0034 -0.0237 -0.0073 388 LEU A CD2 5579 N N . PRO A 389 ? 0.1101 0.1102 0.1132 0.0244 -0.0145 -0.0022 389 PRO A N 5580 C CA . PRO A 389 ? 0.1181 0.1284 0.1152 0.0148 -0.0213 0.0025 389 PRO A CA 5581 C C . PRO A 389 ? 0.1097 0.1212 0.1203 0.0334 -0.0081 0.0024 389 PRO A C 5582 O O . PRO A 389 ? 0.1079 0.1390 0.1449 0.0290 0.0041 -0.0032 389 PRO A O 5583 C CB . PRO A 389 ? 0.1433 0.1444 0.1507 0.0136 -0.0476 -0.0035 389 PRO A CB 5584 C CG . PRO A 389 ? 0.1723 0.1769 0.1494 0.0063 -0.0559 -0.0026 389 PRO A CG 5585 C CD . PRO A 389 ? 0.1149 0.1440 0.1666 0.0161 -0.0353 -0.0032 389 PRO A CD 5593 N N . ALA A 390 ? 0.1243 0.1034 0.1161 0.0259 -0.0008 -0.0013 390 ALA A N 5594 C CA . ALA A 390 ? 0.1301 0.1220 0.1019 0.0427 0.0022 0.0012 390 ALA A CA 5595 C C . ALA A 390 ? 0.1775 0.1377 0.1170 0.0656 -0.0093 -0.0019 390 ALA A C 5596 O O . ALA A 390 ? 0.2192 0.1958 0.1187 0.1143 -0.0321 -0.0158 390 ALA A O 5597 C CB . ALA A 390 ? 0.1433 0.1306 0.1486 0.0228 0.0021 -0.0274 390 ALA A CB 5603 N N . GLY A 391 ? 0.1887 0.1361 0.1256 0.0683 0.0031 0.0000 391 GLY A N 5604 C CA . GLY A 391 ? 0.3045 0.1587 0.1240 0.1307 -0.0032 0.0091 391 GLY A CA 5605 C C . GLY A 391 ? 0.2287 0.1670 0.1161 0.1017 -0.0151 0.0007 391 GLY A C 5606 O O . GLY A 391 ? 0.2606 0.1759 0.1400 0.1259 0.0102 0.0083 391 GLY A O 5610 N N . ALA A 392 ? 0.1741 0.1777 0.1189 0.0952 -0.0143 -0.0165 392 ALA A N 5611 C CA . ALA A 392 ? 0.1323 0.1880 0.1395 0.0659 -0.0147 -0.0279 392 ALA A CA 5612 C C . ALA A 392 ? 0.1465 0.1461 0.1221 0.0683 -0.0080 0.0003 392 ALA A C 5613 O O . ALA A 392 ? 0.1361 0.1390 0.1203 0.0557 0.0089 0.0090 392 ALA A O 5614 C CB . ALA A 392 ? 0.1290 0.1771 0.1507 0.0328 -0.0028 -0.0264 392 ALA A CB 5620 N N . ALA A 393 ? 0.1128 0.1364 0.1281 0.0427 -0.0021 0.0042 393 ALA A N 5621 C CA . ALA A 393 ? 0.1269 0.1200 0.1259 0.0436 0.0055 -0.0029 393 ALA A CA 5622 C C . ALA A 393 ? 0.1212 0.1140 0.1192 0.0443 0.0145 0.0059 393 ALA A C 5623 O O . ALA A 393 ? 0.1360 0.1089 0.1198 0.0395 0.0086 0.0062 393 ALA A O 5624 C CB . ALA A 393 ? 0.1322 0.1474 0.1525 0.0591 0.0150 -0.0112 393 ALA A CB 5630 N N . GLY A 394 ? 0.1219 0.1017 0.1431 0.0216 0.0186 0.0060 394 GLY A N 5631 C CA . GLY A 394 ? 0.1218 0.1265 0.1228 0.0255 0.0111 0.0009 394 GLY A CA 5632 C C . GLY A 394 ? 0.1220 0.1042 0.1410 0.0211 0.0021 0.0075 394 GLY A C 5633 O O . GLY A 394 ? 0.1260 0.1307 0.1458 0.0258 0.0097 0.0264 394 GLY A O 5637 N N . GLY A 395 ? 0.1211 0.1149 0.1391 0.0309 0.0063 -0.0147 395 GLY A N 5638 C CA . GLY A 395 ? 0.1030 0.1257 0.1473 0.0197 0.0097 -0.0187 395 GLY A CA 5639 C C . GLY A 395 ? 0.1232 0.0998 0.1507 0.0174 0.0221 -0.0093 395 GLY A C 5640 O O . GLY A 395 ? 0.1587 0.1050 0.1927 0.0027 0.0373 -0.0097 395 GLY A O 5644 N N . PRO A 396 ? 0.1121 0.0973 0.1352 0.0048 0.0047 -0.0015 396 PRO A N 5645 C CA . PRO A 396 ? 0.1057 0.0936 0.1168 0.0078 0.0108 0.0055 396 PRO A CA 5646 C C . PRO A 396 ? 0.0921 0.0971 0.0939 0.0090 0.0071 0.0016 396 PRO A C 5647 O O . PRO A 396 ? 0.1194 0.1310 0.1016 -0.0112 -0.0067 0.0133 396 PRO A O 5648 C CB . PRO A 396 ? 0.1190 0.1123 0.1228 -0.0032 0.0175 0.0056 396 PRO A CB 5649 C CG . PRO A 396 ? 0.1165 0.1386 0.1716 0.0039 0.0119 0.0024 396 PRO A CG 5650 C CD . PRO A 396 ? 0.1399 0.1071 0.1757 -0.0104 0.0060 -0.0060 396 PRO A CD 5658 N N . HIS A 397 ? 0.0908 0.0897 0.0926 0.0102 0.0029 0.0056 397 HIS A N 5659 C CA . HIS A 397 ? 0.0775 0.1007 0.0877 0.0161 0.0086 0.0057 397 HIS A CA 5660 C C . HIS A 397 ? 0.0819 0.0932 0.0797 0.0065 0.0030 0.0022 397 HIS A C 5661 O O . HIS A 397 ? 0.0859 0.1007 0.0853 0.0176 0.0012 -0.0018 397 HIS A O 5662 C CB . HIS A 397 ? 0.0774 0.0943 0.0969 0.0149 0.0025 -0.0002 397 HIS A CB 5663 C CG . HIS A 397 ? 0.0877 0.0954 0.0895 0.0049 0.0002 0.0033 397 HIS A CG 5664 N ND1 . HIS A 397 ? 0.0784 0.0863 0.1034 0.0041 0.0055 -0.0032 397 HIS A ND1 5665 C CD2 . HIS A 397 ? 0.1069 0.0971 0.0977 0.0212 0.0003 0.0099 397 HIS A CD2 5666 C CE1 . HIS A 397 ? 0.1035 0.0834 0.1027 0.0151 0.0119 -0.0037 397 HIS A CE1 5667 N NE2 . HIS A 397 ? 0.1038 0.1006 0.1078 0.0264 0.0021 0.0164 397 HIS A NE2 5675 N N . PRO A 398 ? 0.0820 0.0830 0.0810 0.0073 0.0007 -0.0006 398 PRO A N 5676 C CA . PRO A 398 ? 0.0734 0.0855 0.0899 0.0034 0.0046 -0.0008 398 PRO A CA 5677 C C . PRO A 398 ? 0.0805 0.0900 0.0809 -0.0018 -0.0036 -0.0005 398 PRO A C 5678 O O . PRO A 398 ? 0.0886 0.1133 0.0855 -0.0119 0.0038 -0.0061 398 PRO A O 5679 C CB . PRO A 398 ? 0.0846 0.0874 0.1128 -0.0024 -0.0057 -0.0054 398 PRO A CB 5680 C CG . PRO A 398 ? 0.0975 0.0946 0.1011 -0.0004 -0.0069 -0.0092 398 PRO A CG 5681 C CD . PRO A 398 ? 0.0873 0.0923 0.0899 0.0089 -0.0031 -0.0065 398 PRO A CD 5689 N N . PHE A 399 ? 0.0726 0.0790 0.0849 0.0019 0.0015 -0.0022 399 PHE A N 5690 C CA . PHE A 399 ? 0.0700 0.0803 0.0943 0.0030 0.0001 -0.0006 399 PHE A CA 5691 C C . PHE A 399 ? 0.0605 0.0789 0.0887 0.0034 -0.0060 -0.0073 399 PHE A C 5692 O O . PHE A 399 ? 0.0676 0.0880 0.1003 0.0125 0.0029 0.0089 399 PHE A O 5693 C CB . PHE A 399 ? 0.0845 0.0855 0.0939 0.0056 -0.0047 -0.0022 399 PHE A CB 5694 C CG . PHE A 399 ? 0.0757 0.0950 0.0835 0.0154 -0.0099 -0.0003 399 PHE A CG 5695 C CD1 . PHE A 399 ? 0.0910 0.1041 0.0949 0.0135 -0.0108 0.0037 399 PHE A CD1 5696 C CD2 . PHE A 399 ? 0.0718 0.1047 0.1304 -0.0017 -0.0161 -0.0057 399 PHE A CD2 5697 C CE1 . PHE A 399 ? 0.0954 0.1171 0.0991 0.0235 -0.0136 -0.0018 399 PHE A CE1 5698 C CE2 . PHE A 399 ? 0.0746 0.1299 0.1305 0.0034 -0.0167 0.0014 399 PHE A CE2 5699 C CZ . PHE A 399 ? 0.0792 0.1374 0.1182 0.0229 -0.0209 -0.0122 399 PHE A CZ 5709 N N . HIS A 400 ? 0.0633 0.0774 0.1043 0.0039 0.0023 0.0006 400 HIS A N 5710 C CA . HIS A 400 ? 0.0722 0.0762 0.0895 0.0019 0.0049 -0.0009 400 HIS A CA 5711 C C . HIS A 400 ? 0.0669 0.0817 0.0825 -0.0028 -0.0030 0.0039 400 HIS A C 5712 O O . HIS A 400 ? 0.0614 0.0847 0.1073 -0.0018 -0.0003 -0.0076 400 HIS A O 5713 C CB . HIS A 400 ? 0.0743 0.0837 0.0958 -0.0070 -0.0016 -0.0077 400 HIS A CB 5714 C CG . HIS A 400 ? 0.0653 0.0811 0.0991 0.0028 -0.0142 -0.0023 400 HIS A CG 5715 N ND1 . HIS A 400 ? 0.0646 0.0849 0.0911 -0.0058 -0.0046 -0.0002 400 HIS A ND1 5716 C CD2 . HIS A 400 ? 0.0726 0.0849 0.0957 -0.0053 0.0017 -0.0057 400 HIS A CD2 5717 C CE1 . HIS A 400 ? 0.0904 0.0857 0.0841 -0.0042 0.0024 -0.0024 400 HIS A CE1 5718 N NE2 . HIS A 400 ? 0.0817 0.0898 0.0885 -0.0107 -0.0089 0.0047 400 HIS A NE2 5726 N N . LEU A 401 ? 0.0677 0.0806 0.0828 0.0007 -0.0033 0.0006 401 LEU A N 5727 C CA . LEU A 401 ? 0.0796 0.0714 0.0893 -0.0008 -0.0052 -0.0051 401 LEU A CA 5728 C C . LEU A 401 ? 0.0661 0.0721 0.0901 0.0034 -0.0040 -0.0080 401 LEU A C 5729 O O . LEU A 401 ? 0.0628 0.0963 0.0967 0.0024 -0.0030 0.0018 401 LEU A O 5730 C CB . LEU A 401 ? 0.0949 0.0792 0.0876 0.0024 -0.0080 -0.0046 401 LEU A CB 5731 C CG . LEU A 401 ? 0.0959 0.0856 0.1006 0.0027 -0.0127 -0.0081 401 LEU A CG 5732 C CD1 . LEU A 401 ? 0.0953 0.1040 0.1391 -0.0059 -0.0314 -0.0239 401 LEU A CD1 5733 C CD2 . LEU A 401 ? 0.1460 0.0944 0.0984 0.0210 -0.0204 -0.0118 401 LEU A CD2 5745 N N . HIS A 402 ? 0.0615 0.0822 0.0974 -0.0006 0.0021 0.0037 402 HIS A N 5746 C CA . HIS A 402 ? 0.0676 0.0868 0.0916 -0.0047 -0.0054 0.0013 402 HIS A CA 5747 C C . HIS A 402 ? 0.0679 0.0746 0.0969 -0.0097 0.0038 0.0007 402 HIS A C 5748 O O . HIS A 402 ? 0.0821 0.0813 0.1064 0.0038 -0.0098 -0.0053 402 HIS A O 5749 C CB . HIS A 402 ? 0.0793 0.0834 0.0938 -0.0037 0.0056 0.0074 402 HIS A CB 5750 C CG . HIS A 402 ? 0.0616 0.0873 0.0903 -0.0059 -0.0053 0.0054 402 HIS A CG 5751 N ND1 . HIS A 402 ? 0.0749 0.0843 0.0935 -0.0070 -0.0073 0.0005 402 HIS A ND1 5752 C CD2 . HIS A 402 ? 0.0732 0.0905 0.1011 -0.0035 0.0001 0.0041 402 HIS A CD2 5753 C CE1 . HIS A 402 ? 0.0909 0.0972 0.0898 0.0000 -0.0025 0.0066 402 HIS A CE1 5754 N NE2 . HIS A 402 ? 0.0796 0.0932 0.0918 -0.0048 -0.0135 0.0010 402 HIS A NE2 5762 N N . GLY A 403 ? 0.0683 0.0768 0.1036 0.0052 0.0000 -0.0022 403 GLY A N 5763 C CA . GLY A 403 ? 0.0931 0.0749 0.1105 0.0028 -0.0030 0.0016 403 GLY A CA 5764 C C . GLY A 403 ? 0.0648 0.0879 0.1110 0.0037 -0.0037 -0.0041 403 GLY A C 5765 O O . GLY A 403 ? 0.0869 0.0862 0.1258 0.0021 0.0068 0.0022 403 GLY A O 5769 N N . HIS A 404 ? 0.0798 0.0832 0.0987 0.0017 0.0073 0.0004 404 HIS A N 5770 C CA . HIS A 404 ? 0.0786 0.0869 0.1010 0.0009 0.0024 -0.0044 404 HIS A CA 5771 C C . HIS A 404 ? 0.0798 0.0850 0.1046 -0.0023 -0.0006 -0.0004 404 HIS A C 5772 O O . HIS A 404 ? 0.1146 0.0979 0.1177 -0.0175 0.0217 -0.0157 404 HIS A O 5773 C CB . HIS A 404 ? 0.0690 0.0996 0.1203 -0.0070 -0.0018 0.0011 404 HIS A CB 5774 C CG . HIS A 404 ? 0.0825 0.1030 0.1084 -0.0026 -0.0119 -0.0019 404 HIS A CG 5775 N ND1 . HIS A 404 ? 0.0940 0.1096 0.1452 -0.0042 -0.0103 -0.0132 404 HIS A ND1 5776 C CD2 . HIS A 404 ? 0.0842 0.1088 0.1474 -0.0114 -0.0083 -0.0048 404 HIS A CD2 5777 C CE1 . HIS A 404 ? 0.0874 0.1261 0.1434 -0.0135 -0.0149 -0.0149 404 HIS A CE1 5778 N NE2 . HIS A 404 ? 0.0894 0.1160 0.1524 -0.0209 -0.0164 -0.0047 404 HIS A NE2 5787 N N . ASN A 405 ? 0.0721 0.0828 0.1089 0.0026 0.0002 -0.0005 405 ASN A N 5788 C CA . ASN A 405 ? 0.0795 0.0791 0.0925 0.0005 0.0076 -0.0057 405 ASN A CA 5789 C C . ASN A 405 ? 0.0716 0.0772 0.0961 0.0016 -0.0028 -0.0047 405 ASN A C 5790 O O . ASN A 405 ? 0.0881 0.0942 0.1028 -0.0158 -0.0070 -0.0060 405 ASN A O 5791 C CB . ASN A 405 ? 0.0791 0.0871 0.0950 -0.0012 -0.0125 -0.0039 405 ASN A CB 5792 C CG . ASN A 405 ? 0.0830 0.0893 0.1091 -0.0045 0.0027 -0.0091 405 ASN A CG 5793 O OD1 . ASN A 405 ? 0.0964 0.1050 0.1333 0.0155 -0.0147 -0.0256 405 ASN A OD1 5794 N ND2 . ASN A 405 ? 0.0667 0.1275 0.1426 -0.0007 0.0026 -0.0138 405 ASN A ND2 5799 N N . PHE A 406 ? 0.0765 0.0810 0.0790 0.0019 -0.0058 -0.0099 406 PHE A N 5800 C CA . PHE A 406 ? 0.0841 0.0825 0.0852 0.0001 -0.0073 -0.0171 406 PHE A CA 5801 C C . PHE A 406 ? 0.0792 0.0799 0.0834 0.0095 -0.0050 -0.0038 406 PHE A C 5802 O O . PHE A 406 ? 0.0829 0.0932 0.0736 -0.0043 -0.0027 -0.0063 406 PHE A O 5803 C CB . PHE A 406 ? 0.0823 0.0885 0.0960 0.0085 -0.0088 -0.0084 406 PHE A CB 5804 C CG . PHE A 406 ? 0.0656 0.0967 0.0913 0.0038 -0.0133 -0.0131 406 PHE A CG 5805 C CD1 . PHE A 406 ? 0.0857 0.0900 0.0782 0.0085 -0.0104 -0.0064 406 PHE A CD1 5806 C CD2 . PHE A 406 ? 0.0754 0.1020 0.0937 -0.0031 -0.0045 -0.0169 406 PHE A CD2 5807 C CE1 . PHE A 406 ? 0.0980 0.0882 0.0922 0.0083 -0.0126 -0.0099 406 PHE A CE1 5808 C CE2 . PHE A 406 ? 0.0792 0.1152 0.0786 0.0001 -0.0124 -0.0188 406 PHE A CE2 5809 C CZ . PHE A 406 ? 0.0815 0.0970 0.0898 0.0158 -0.0153 -0.0225 406 PHE A CZ 5819 N N . ALA A 407 ? 0.0869 0.0859 0.0789 0.0055 -0.0024 -0.0142 407 ALA A N 5820 C CA . ALA A 407 ? 0.0870 0.0910 0.0828 0.0067 0.0002 -0.0143 407 ALA A CA 5821 C C . ALA A 407 ? 0.0828 0.1009 0.0722 0.0059 0.0010 -0.0055 407 ALA A C 5822 O O . ALA A 407 ? 0.0829 0.0993 0.1067 0.0092 -0.0061 -0.0022 407 ALA A O 5823 C CB . ALA A 407 ? 0.1152 0.1025 0.0789 0.0136 0.0017 -0.0130 407 ALA A CB 5829 N N . VAL A 408 ? 0.0810 0.0913 0.0852 0.0125 -0.0060 -0.0085 408 VAL A N 5830 C CA . VAL A 408 ? 0.1006 0.0976 0.0816 0.0068 0.0026 -0.0060 408 VAL A CA 5831 C C . VAL A 408 ? 0.0969 0.0934 0.0908 0.0189 0.0012 -0.0126 408 VAL A C 5832 O O . VAL A 408 ? 0.0955 0.1044 0.0849 0.0123 0.0030 -0.0024 408 VAL A O 5833 C CB . VAL A 408 ? 0.1046 0.0969 0.0801 0.0010 0.0041 -0.0074 408 VAL A CB 5834 C CG1 . VAL A 408 ? 0.1328 0.1038 0.0863 -0.0014 0.0094 -0.0054 408 VAL A CG1 5835 C CG2 . VAL A 408 ? 0.1567 0.1129 0.0805 -0.0008 -0.0005 -0.0137 408 VAL A CG2 5845 N N . VAL A 409 ? 0.0966 0.1048 0.0844 0.0089 -0.0004 -0.0114 409 VAL A N 5846 C CA . VAL A 409 ? 0.1132 0.1181 0.0801 0.0247 -0.0126 -0.0106 409 VAL A CA 5847 C C . VAL A 409 ? 0.1340 0.1250 0.0871 0.0398 0.0127 -0.0049 409 VAL A C 5848 O O . VAL A 409 ? 0.2781 0.1251 0.1206 0.0608 0.0899 0.0109 409 VAL A O 5849 C CB . VAL A 409 ? 0.1754 0.1619 0.1345 -0.0339 -0.0528 0.0215 409 VAL A CB 5850 C CG1 A VAL A 409 ? 0.2557 0.1366 0.0569 -0.0391 -0.0398 -0.0130 409 VAL A CG1 5851 C CG1 B VAL A 409 ? 0.1922 0.1741 0.0696 0.0005 -0.0316 -0.0331 409 VAL A CG1 5852 C CG2 A VAL A 409 ? 0.1486 0.1187 0.1324 0.0325 -0.0445 -0.0350 409 VAL A CG2 5853 C CG2 B VAL A 409 ? 0.2488 0.1506 0.1093 -0.0546 -0.0349 0.0086 409 VAL A CG2 5868 N N . GLN A 410 ? 0.1055 0.1051 0.0896 0.0186 0.0000 -0.0060 410 GLN A N 5869 C CA . GLN A 410 ? 0.0998 0.1013 0.0962 0.0125 0.0038 -0.0007 410 GLN A CA 5870 C C . GLN A 410 ? 0.1174 0.1037 0.0881 0.0217 0.0032 0.0015 410 GLN A C 5871 O O . GLN A 410 ? 0.1118 0.1080 0.0838 0.0199 0.0092 -0.0087 410 GLN A O 5872 C CB . GLN A 410 ? 0.1218 0.1211 0.0883 0.0211 0.0056 0.0016 410 GLN A CB 5873 C CG . GLN A 410 ? 0.1348 0.1212 0.1137 0.0236 -0.0087 -0.0024 410 GLN A CG 5874 C CD . GLN A 410 ? 0.1530 0.1322 0.0996 0.0240 -0.0173 0.0077 410 GLN A CD 5875 O OE1 . GLN A 410 ? 0.1663 0.1494 0.1195 0.0103 -0.0386 0.0066 410 GLN A OE1 5876 N NE2 . GLN A 410 ? 0.1287 0.1543 0.1130 0.0316 -0.0097 0.0131 410 GLN A NE2 5885 N N . SER A 411 ? 0.1214 0.1104 0.0896 0.0141 0.0080 0.0022 411 SER A N 5886 C CA . SER A 411 ? 0.1078 0.1141 0.0836 0.0073 0.0044 -0.0013 411 SER A CA 5887 C C . SER A 411 ? 0.0988 0.1168 0.0849 -0.0010 0.0026 0.0038 411 SER A C 5888 O O . SER A 411 ? 0.1391 0.1214 0.0809 0.0231 0.0069 0.0015 411 SER A O 5889 C CB . SER A 411 ? 0.1073 0.1077 0.1155 0.0158 0.0086 0.0044 411 SER A CB 5890 O OG . SER A 411 ? 0.1111 0.1167 0.1074 0.0149 0.0125 0.0050 411 SER A OG 5895 N N . ALA A 412 ? 0.1188 0.1111 0.0878 0.0168 -0.0016 -0.0024 412 ALA A N 5896 C CA . ALA A 412 ? 0.1223 0.1107 0.1019 0.0244 0.0031 -0.0028 412 ALA A CA 5897 C C . ALA A 412 ? 0.1362 0.1195 0.1029 0.0115 0.0107 -0.0023 412 ALA A C 5898 O O . ALA A 412 ? 0.1218 0.1366 0.1334 -0.0069 0.0124 0.0018 412 ALA A O 5899 C CB . ALA A 412 ? 0.1409 0.1218 0.0935 0.0171 0.0132 0.0010 412 ALA A CB 5905 N N . ASN A 413 ? 0.1545 0.1104 0.1007 0.0233 0.0152 -0.0036 413 ASN A N 5906 C CA . ASN A 413 ? 0.1942 0.1124 0.1224 0.0182 0.0203 0.0010 413 ASN A CA 5907 C C . ASN A 413 ? 0.1927 0.1055 0.1134 0.0172 0.0198 0.0084 413 ASN A C 5908 O O . ASN A 413 ? 0.2389 0.1419 0.1403 -0.0234 0.0480 -0.0017 413 ASN A O 5909 C CB . ASN A 413 ? 0.2246 0.1428 0.1366 -0.0338 0.0322 -0.0305 413 ASN A CB 5910 C CG . ASN A 413 ? 0.3672 0.1749 0.2674 0.0032 0.0232 -0.0248 413 ASN A CG 5911 O OD1 . ASN A 413 ? 0.4138 0.1845 0.3774 0.0438 0.0644 0.0008 413 ASN A OD1 5912 N ND2 . ASN A 413 ? 0.3929 0.2661 0.2674 -0.0856 0.0358 0.0009 413 ASN A ND2 5915 N N . ASN A 414 ? 0.1580 0.1244 0.1029 -0.0001 0.0179 0.0016 414 ASN A N 5916 C CA . ASN A 414 ? 0.1738 0.1283 0.0891 0.0024 0.0097 0.0045 414 ASN A CA 5917 C C . ASN A 414 ? 0.1436 0.1413 0.0897 0.0148 0.0167 0.0091 414 ASN A C 5918 O O . ASN A 414 ? 0.1497 0.1445 0.0986 0.0038 0.0013 0.0140 414 ASN A O 5919 C CB . ASN A 414 ? 0.1678 0.1364 0.0967 0.0085 0.0058 -0.0052 414 ASN A CB 5920 C CG . ASN A 414 ? 0.1525 0.1369 0.0970 0.0000 0.0045 0.0057 414 ASN A CG 5921 O OD1 . ASN A 414 ? 0.1555 0.1648 0.0995 0.0066 0.0101 -0.0127 414 ASN A OD1 5922 N ND2 . ASN A 414 ? 0.1502 0.1602 0.0934 0.0058 0.0099 -0.0085 414 ASN A ND2 5927 N N . ALA A 415 ? 0.1573 0.1357 0.0886 0.0156 0.0110 0.0089 415 ALA A N 5928 C CA . ALA A 415 ? 0.1540 0.1503 0.1160 0.0121 0.0065 0.0183 415 ALA A CA 5929 C C . ALA A 415 ? 0.1618 0.1575 0.0996 0.0249 -0.0129 0.0101 415 ALA A C 5930 O O . ALA A 415 ? 0.1540 0.1699 0.1569 0.0233 -0.0241 -0.0230 415 ALA A O 5931 C CB . ALA A 415 ? 0.2027 0.1822 0.1225 0.0504 -0.0134 0.0189 415 ALA A CB 5937 N N . THR A 416 ? 0.1530 0.1398 0.0944 0.0176 -0.0004 0.0044 416 THR A N 5938 C CA . THR A 416 ? 0.1559 0.1572 0.0868 0.0028 -0.0042 -0.0097 416 THR A CA 5939 C C . THR A 416 ? 0.1357 0.1584 0.0836 0.0151 -0.0049 -0.0058 416 THR A C 5940 O O . THR A 416 ? 0.1530 0.1508 0.0842 0.0113 -0.0179 0.0002 416 THR A O 5941 C CB . THR A 416 ? 0.1538 0.1647 0.0977 0.0193 -0.0030 0.0026 416 THR A CB 5942 O OG1 . THR A 416 ? 0.1853 0.1726 0.1210 0.0122 0.0166 0.0195 416 THR A OG1 5943 C CG2 . THR A 416 ? 0.1574 0.1713 0.0978 0.0070 0.0063 -0.0143 416 THR A CG2 5950 N N . PRO A 417 ? 0.1438 0.1415 0.0821 0.0228 -0.0125 -0.0018 417 PRO A N 5951 C CA . PRO A 417 ? 0.1228 0.1350 0.0858 0.0161 -0.0080 -0.0021 417 PRO A CA 5952 C C . PRO A 417 ? 0.1343 0.1480 0.0776 0.0228 -0.0083 -0.0085 417 PRO A C 5953 O O . PRO A 417 ? 0.1676 0.1792 0.1003 0.0421 0.0171 0.0145 417 PRO A O 5954 C CB . PRO A 417 ? 0.1460 0.1561 0.1039 0.0131 -0.0081 -0.0171 417 PRO A CB 5955 C CG . PRO A 417 ? 0.1695 0.1815 0.1036 0.0037 -0.0186 -0.0132 417 PRO A CG 5956 C CD . PRO A 417 ? 0.1377 0.1622 0.0960 0.0138 -0.0184 -0.0005 417 PRO A CD 5964 N N . ASN A 418 ? 0.1282 0.1311 0.0775 0.0131 0.0017 -0.0090 418 ASN A N 5965 C CA . ASN A 418 ? 0.1231 0.1399 0.0841 0.0195 0.0002 -0.0137 418 ASN A CA 5966 C C . ASN A 418 ? 0.1162 0.1496 0.0755 0.0281 0.0013 -0.0191 418 ASN A C 5967 O O . ASN A 418 ? 0.1387 0.1268 0.0819 0.0146 -0.0050 -0.0119 418 ASN A O 5968 C CB . ASN A 418 ? 0.1326 0.1324 0.0884 0.0091 -0.0028 -0.0187 418 ASN A CB 5969 C CG . ASN A 418 ? 0.1388 0.1274 0.0949 0.0054 0.0056 -0.0161 418 ASN A CG 5970 O OD1 . ASN A 418 ? 0.1173 0.1639 0.1075 0.0209 -0.0012 -0.0364 418 ASN A OD1 5971 N ND2 . ASN A 418 ? 0.1172 0.1378 0.1047 0.0078 -0.0046 -0.0144 418 ASN A ND2 5978 N N . TYR A 419 ? 0.1294 0.1505 0.0763 0.0057 -0.0128 -0.0178 419 TYR A N 5979 C CA . TYR A 419 ? 0.1318 0.1422 0.0895 0.0075 -0.0115 -0.0265 419 TYR A CA 5980 C C . TYR A 419 ? 0.1648 0.1566 0.0859 0.0174 -0.0088 -0.0316 419 TYR A C 5981 O O . TYR A 419 ? 0.1790 0.1385 0.1337 0.0221 -0.0106 -0.0295 419 TYR A O 5982 C CB . TYR A 419 ? 0.1578 0.1493 0.0945 0.0199 -0.0256 -0.0229 419 TYR A CB 5983 C CG . TYR A 419 ? 0.1415 0.1570 0.0903 0.0093 -0.0211 -0.0266 419 TYR A CG 5984 C CD1 . TYR A 419 ? 0.1471 0.1664 0.0885 -0.0008 -0.0221 -0.0171 419 TYR A CD1 5985 C CD2 . TYR A 419 ? 0.1659 0.1618 0.1065 0.0047 -0.0216 -0.0051 419 TYR A CD2 5986 C CE1 . TYR A 419 ? 0.1567 0.1505 0.0844 0.0019 -0.0190 -0.0099 419 TYR A CE1 5987 C CE2 . TYR A 419 ? 0.1411 0.1819 0.1095 0.0045 -0.0040 0.0015 419 TYR A CE2 5988 C CZ . TYR A 419 ? 0.1259 0.1658 0.0908 0.0016 -0.0221 -0.0059 419 TYR A CZ 5989 O OH . TYR A 419 ? 0.1356 0.1902 0.1207 0.0154 -0.0293 0.0033 419 TYR A OH 5998 N N . VAL A 420 ? 0.1378 0.1627 0.0962 0.0401 -0.0105 -0.0439 420 VAL A N 5999 C CA . VAL A 420 ? 0.1529 0.1723 0.0996 0.0452 -0.0032 -0.0474 420 VAL A CA 6000 C C . VAL A 420 ? 0.1255 0.1639 0.1052 0.0402 0.0004 -0.0401 420 VAL A C 6001 O O . VAL A 420 ? 0.1711 0.1478 0.1366 0.0275 -0.0239 -0.0362 420 VAL A O 6002 C CB . VAL A 420 ? 0.1716 0.2488 0.1062 0.0494 0.0136 -0.0390 420 VAL A CB 6003 C CG1 . VAL A 420 ? 0.1723 0.2791 0.1502 0.0748 0.0189 -0.0477 420 VAL A CG1 6004 C CG2 . VAL A 420 ? 0.2022 0.3348 0.1060 0.0330 0.0087 -0.0384 420 VAL A CG2 6014 N N . ASN A 421 ? 0.1280 0.1429 0.0909 0.0270 0.0111 -0.0251 421 ASN A N 6015 C CA . ASN A 421 ? 0.1107 0.1450 0.1083 0.0279 -0.0027 -0.0321 421 ASN A CA 6016 C C . ASN A 421 ? 0.1033 0.1333 0.0869 0.0134 0.0056 -0.0153 421 ASN A C 6017 O O . ASN A 421 ? 0.0985 0.1419 0.1035 0.0047 0.0026 -0.0140 421 ASN A O 6018 C CB . ASN A 421 ? 0.1065 0.1759 0.1180 0.0262 0.0087 -0.0281 421 ASN A CB 6019 C CG . ASN A 421 ? 0.1131 0.1901 0.1270 0.0221 0.0209 -0.0364 421 ASN A CG 6020 O OD1 . ASN A 421 ? 0.1328 0.1740 0.1179 0.0074 0.0237 -0.0039 421 ASN A OD1 6021 N ND2 . ASN A 421 ? 0.1185 0.2377 0.2388 0.0166 0.0429 -0.0272 421 ASN A ND2 6028 N N . PRO A 422 ? 0.1009 0.1240 0.0822 0.0153 0.0016 -0.0184 422 PRO A N 6029 C CA . PRO A 422 ? 0.1155 0.1095 0.0839 0.0063 0.0065 -0.0163 422 PRO A CA 6030 C C . PRO A 422 ? 0.0953 0.1168 0.0879 0.0167 0.0067 -0.0222 422 PRO A C 6031 O O . PRO A 422 ? 0.1004 0.1084 0.0895 0.0173 0.0021 -0.0257 422 PRO A O 6032 C CB . PRO A 422 ? 0.1073 0.1415 0.0898 0.0325 0.0008 -0.0111 422 PRO A CB 6033 C CG . PRO A 422 ? 0.0930 0.1422 0.1098 0.0146 -0.0030 -0.0030 422 PRO A CG 6034 C CD . PRO A 422 ? 0.1096 0.1215 0.1035 0.0075 0.0021 -0.0142 422 PRO A CD 6042 N N . ILE A 423 ? 0.1051 0.1011 0.0883 0.0103 0.0070 -0.0164 423 ILE A N 6043 C CA . ILE A 423 ? 0.0941 0.0996 0.0878 0.0068 0.0074 -0.0226 423 ILE A CA 6044 C C . ILE A 423 ? 0.0836 0.1004 0.0868 0.0124 -0.0020 -0.0206 423 ILE A C 6045 O O . ILE A 423 ? 0.0914 0.1109 0.0974 0.0105 0.0003 -0.0206 423 ILE A O 6046 C CB . ILE A 423 ? 0.0948 0.1090 0.0959 -0.0022 0.0106 -0.0164 423 ILE A CB 6047 C CG1 . ILE A 423 ? 0.1070 0.1224 0.0882 -0.0166 0.0081 -0.0252 423 ILE A CG1 6048 C CG2 . ILE A 423 ? 0.1079 0.1035 0.1153 -0.0077 0.0067 -0.0302 423 ILE A CG2 6049 C CD1 . ILE A 423 ? 0.0943 0.1216 0.1170 -0.0133 -0.0007 -0.0150 423 ILE A CD1 6061 N N . TRP A 424 ? 0.0826 0.1017 0.0848 0.0127 0.0038 -0.0188 424 TRP A N 6062 C CA . TRP A 424 ? 0.0803 0.1036 0.0946 0.0006 0.0014 -0.0191 424 TRP A CA 6063 C C . TRP A 424 ? 0.0709 0.0995 0.0922 0.0008 0.0031 -0.0147 424 TRP A C 6064 O O . TRP A 424 ? 0.0702 0.1213 0.0949 0.0058 -0.0010 -0.0202 424 TRP A O 6065 C CB . TRP A 424 ? 0.0858 0.1127 0.1018 -0.0037 0.0010 -0.0165 424 TRP A CB 6066 C CG . TRP A 424 ? 0.0918 0.1067 0.1052 0.0107 -0.0012 -0.0203 424 TRP A CG 6067 C CD1 . TRP A 424 ? 0.1131 0.1245 0.1001 0.0155 -0.0013 -0.0319 424 TRP A CD1 6068 C CD2 . TRP A 424 ? 0.0930 0.1065 0.1023 0.0143 -0.0032 -0.0169 424 TRP A CD2 6069 N NE1 . TRP A 424 ? 0.1172 0.1200 0.1102 0.0156 -0.0054 -0.0266 424 TRP A NE1 6070 C CE2 . TRP A 424 ? 0.1312 0.1142 0.1066 0.0078 -0.0055 -0.0219 424 TRP A CE2 6071 C CE3 . TRP A 424 ? 0.1063 0.1146 0.1262 0.0072 -0.0004 -0.0127 424 TRP A CE3 6072 C CZ2 . TRP A 424 ? 0.1446 0.1292 0.1257 0.0115 -0.0285 -0.0383 424 TRP A CZ2 6073 C CZ3 . TRP A 424 ? 0.1485 0.1256 0.1507 -0.0111 -0.0160 -0.0195 424 TRP A CZ3 6074 C CH2 . TRP A 424 ? 0.1507 0.1410 0.1462 -0.0082 -0.0209 -0.0263 424 TRP A CH2 6085 N N . ARG A 425 ? 0.0710 0.0967 0.0712 0.0038 0.0049 -0.0150 425 ARG A N 6086 C CA . ARG A 425 ? 0.0684 0.0876 0.0766 -0.0032 0.0002 -0.0070 425 ARG A CA 6087 C C . ARG A 425 ? 0.0734 0.0689 0.0764 0.0027 -0.0083 -0.0004 425 ARG A C 6088 O O . ARG A 425 ? 0.0733 0.0883 0.0796 0.0012 0.0011 -0.0137 425 ARG A O 6089 C CB . ARG A 425 ? 0.0731 0.0900 0.0743 -0.0018 0.0083 -0.0029 425 ARG A CB 6090 C CG . ARG A 425 ? 0.0803 0.0923 0.0769 0.0054 0.0026 -0.0035 425 ARG A CG 6091 C CD . ARG A 425 ? 0.0893 0.0911 0.0882 0.0004 0.0059 -0.0061 425 ARG A CD 6092 N NE . ARG A 425 ? 0.0785 0.0862 0.0785 -0.0018 0.0068 -0.0048 425 ARG A NE 6093 C CZ . ARG A 425 ? 0.0773 0.0756 0.0817 0.0025 0.0128 -0.0115 425 ARG A CZ 6094 N NH1 . ARG A 425 ? 0.0871 0.0809 0.0838 -0.0038 0.0084 -0.0091 425 ARG A NH1 6095 N NH2 . ARG A 425 ? 0.0933 0.0888 0.0793 0.0015 0.0076 -0.0047 425 ARG A NH2 6109 N N . ASP A 426 ? 0.0655 0.0834 0.0699 0.0050 -0.0032 -0.0046 426 ASP A N 6110 C CA . ASP A 426 ? 0.0626 0.0790 0.0780 -0.0024 -0.0045 -0.0011 426 ASP A CA 6111 C C . ASP A 426 ? 0.0621 0.0748 0.0709 -0.0027 -0.0075 -0.0024 426 ASP A C 6112 O O . ASP A 426 ? 0.0615 0.0795 0.0786 -0.0023 -0.0014 -0.0087 426 ASP A O 6113 C CB . ASP A 426 ? 0.0676 0.0696 0.0916 0.0005 0.0049 -0.0006 426 ASP A CB 6114 C CG . ASP A 426 ? 0.0760 0.0811 0.0773 -0.0023 -0.0007 0.0044 426 ASP A CG 6115 O OD1 . ASP A 426 ? 0.0823 0.0913 0.1033 0.0054 -0.0128 0.0012 426 ASP A OD1 6116 O OD2 . ASP A 426 ? 0.0922 0.0787 0.0863 0.0035 -0.0094 0.0023 426 ASP A OD2 6121 N N . THR A 427 ? 0.0645 0.0827 0.0738 0.0046 0.0000 -0.0017 427 THR A N 6122 C CA . THR A 427 ? 0.0727 0.0786 0.0754 0.0057 -0.0001 -0.0004 427 THR A CA 6123 C C . THR A 427 ? 0.0678 0.0748 0.0759 0.0057 0.0050 -0.0068 427 THR A C 6124 O O . THR A 427 ? 0.0651 0.0800 0.0872 -0.0003 0.0024 0.0065 427 THR A O 6125 C CB . THR A 427 ? 0.0728 0.0861 0.0752 -0.0013 0.0023 -0.0024 427 THR A CB 6126 O OG1 . THR A 427 ? 0.0944 0.0882 0.0744 -0.0040 0.0046 -0.0018 427 THR A OG1 6127 C CG2 . THR A 427 ? 0.1063 0.0856 0.0861 0.0046 0.0096 -0.0043 427 THR A CG2 6134 N N . VAL A 428 ? 0.0742 0.0798 0.0736 0.0045 0.0002 -0.0017 428 VAL A N 6135 C CA . VAL A 428 ? 0.0635 0.0886 0.0754 0.0007 0.0002 0.0004 428 VAL A CA 6136 C C . VAL A 428 ? 0.0700 0.0949 0.0666 0.0128 0.0020 -0.0009 428 VAL A C 6137 O O . VAL A 428 ? 0.0794 0.0830 0.0892 0.0105 0.0083 0.0005 428 VAL A O 6138 C CB . VAL A 428 ? 0.0944 0.0878 0.0741 0.0077 -0.0018 -0.0032 428 VAL A CB 6139 C CG1 . VAL A 428 ? 0.1074 0.0896 0.0831 0.0079 -0.0120 -0.0085 428 VAL A CG1 6140 C CG2 . VAL A 428 ? 0.0997 0.0986 0.0726 0.0107 0.0023 -0.0059 428 VAL A CG2 6150 N N . SER A 429 ? 0.0846 0.0837 0.0726 0.0029 -0.0041 -0.0011 429 SER A N 6151 C CA . SER A 429 ? 0.0992 0.0740 0.0760 0.0055 0.0031 -0.0080 429 SER A CA 6152 C C . SER A 429 ? 0.0861 0.0733 0.0769 0.0036 0.0045 0.0004 429 SER A C 6153 O O . SER A 429 ? 0.0996 0.0959 0.0764 0.0135 0.0054 -0.0009 429 SER A O 6154 C CB . SER A 429 ? 0.1095 0.0853 0.0894 0.0019 0.0014 -0.0081 429 SER A CB 6155 O OG . SER A 429 ? 0.1048 0.0862 0.1041 0.0044 -0.0094 0.0015 429 SER A OG 6160 N N . ILE A 430 ? 0.0909 0.0874 0.0729 0.0100 -0.0019 -0.0050 430 ILE A N 6161 C CA . ILE A 430 ? 0.0950 0.0910 0.0755 0.0119 -0.0049 -0.0026 430 ILE A CA 6162 C C . ILE A 430 ? 0.1116 0.0971 0.0758 0.0158 0.0031 0.0094 430 ILE A C 6163 O O . ILE A 430 ? 0.1082 0.1055 0.0858 0.0086 -0.0086 0.0026 430 ILE A O 6164 C CB . ILE A 430 ? 0.1011 0.1053 0.0782 0.0049 -0.0056 -0.0004 430 ILE A CB 6165 C CG1 . ILE A 430 ? 0.0951 0.1407 0.0950 0.0150 -0.0048 -0.0043 430 ILE A CG1 6166 C CG2 . ILE A 430 ? 0.1134 0.1201 0.0977 -0.0088 -0.0201 0.0069 430 ILE A CG2 6167 C CD1 . ILE A 430 ? 0.0913 0.1834 0.1060 0.0286 -0.0126 0.0078 430 ILE A CD1 6179 N N . GLY A 431 ? 0.1299 0.0843 0.0884 0.0032 -0.0002 0.0098 431 GLY A N 6180 C CA . GLY A 431 ? 0.1297 0.0966 0.1025 -0.0027 -0.0033 0.0112 431 GLY A CA 6181 C C . GLY A 431 ? 0.1353 0.1172 0.0881 0.0077 0.0046 0.0019 431 GLY A C 6182 O O . GLY A 431 ? 0.1320 0.1399 0.1136 0.0138 0.0124 0.0120 431 GLY A O 6186 N N . GLY A 432 ? 0.1917 0.1085 0.0964 0.0397 0.0036 0.0039 432 GLY A N 6187 C CA . GLY A 432 ? 0.2420 0.1135 0.1202 0.0557 -0.0042 0.0031 432 GLY A CA 6188 C C . GLY A 432 ? 0.1959 0.1268 0.1230 0.0616 -0.0001 -0.0054 432 GLY A C 6189 O O . GLY A 432 ? 0.2004 0.1173 0.1397 0.0470 -0.0098 -0.0067 432 GLY A O 6193 N N . THR A 433 ? 0.1657 0.1213 0.2060 0.0540 -0.0083 -0.0318 433 THR A N 6194 C CA . THR A 433 ? 0.1598 0.1201 0.2150 0.0358 0.0008 -0.0265 433 THR A CA 6195 C C . THR A 433 ? 0.1306 0.1164 0.1980 0.0415 -0.0023 0.0151 433 THR A C 6196 O O . THR A 433 ? 0.1536 0.1439 0.2328 0.0358 0.0068 0.0519 433 THR A O 6197 C CB . THR A 433 ? 0.2274 0.1420 0.2466 0.0673 -0.0038 -0.0146 433 THR A CB 6198 O OG1 A THR A 433 ? 0.2353 0.2896 0.3389 0.0862 0.0521 0.1032 433 THR A OG1 6199 O OG1 B THR A 433 ? 0.1593 0.1437 0.2746 0.0529 -0.0379 -0.0397 433 THR A OG1 6200 C CG2 A THR A 433 ? 0.1188 0.0727 0.1930 0.0265 0.0241 -0.0444 433 THR A CG2 6201 C CG2 B THR A 433 ? 0.1891 0.1235 0.1167 0.1023 -0.0272 -0.0237 433 THR A CG2 6210 N N . GLY A 434 ? 0.1484 0.1301 0.1415 0.0382 0.0017 0.0184 434 GLY A N 6211 C CA . GLY A 434 ? 0.1939 0.1528 0.1311 0.0690 -0.0110 0.0228 434 GLY A CA 6212 C C . GLY A 434 ? 0.1544 0.1327 0.1159 0.0335 -0.0087 0.0186 434 GLY A C 6213 O O . GLY A 434 ? 0.1868 0.1675 0.1140 0.0651 -0.0248 0.0150 434 GLY A O 6217 N N . ASP A 435 ? 0.1427 0.1154 0.1075 0.0422 0.0000 0.0078 435 ASP A N 6218 C CA . ASP A 435 ? 0.1236 0.1056 0.1071 0.0300 -0.0109 0.0084 435 ASP A CA 6219 C C . ASP A 435 ? 0.1170 0.1160 0.0887 0.0273 -0.0191 0.0113 435 ASP A C 6220 O O . ASP A 435 ? 0.1196 0.1211 0.1139 0.0317 -0.0115 0.0069 435 ASP A O 6221 C CB . ASP A 435 ? 0.1465 0.1100 0.0988 0.0273 -0.0076 -0.0001 435 ASP A CB 6222 C CG . ASP A 435 ? 0.1399 0.1280 0.0986 0.0320 0.0062 -0.0059 435 ASP A CG 6223 O OD1 . ASP A 435 ? 0.1675 0.1519 0.1127 0.0287 0.0098 0.0097 435 ASP A OD1 6224 O OD2 . ASP A 435 ? 0.1655 0.1774 0.1061 -0.0030 0.0001 -0.0067 435 ASP A OD2 6229 N N . ASN A 436 ? 0.1299 0.1111 0.0875 0.0327 -0.0043 0.0105 436 ASN A N 6230 C CA . ASN A 436 ? 0.1186 0.1142 0.0878 0.0177 -0.0121 -0.0014 436 ASN A CA 6231 C C . ASN A 436 ? 0.1169 0.0996 0.0787 0.0102 -0.0052 0.0002 436 ASN A C 6232 O O . ASN A 436 ? 0.1283 0.1116 0.0749 0.0198 -0.0092 -0.0086 436 ASN A O 6233 C CB . ASN A 436 ? 0.1367 0.1275 0.0917 0.0219 -0.0170 0.0067 436 ASN A CB 6234 C CG . ASN A 436 ? 0.1577 0.1344 0.0829 0.0350 -0.0149 -0.0097 436 ASN A CG 6235 O OD1 . ASN A 436 ? 0.1552 0.1477 0.1085 0.0038 -0.0277 -0.0151 436 ASN A OD1 6236 N ND2 . ASN A 436 ? 0.1456 0.1681 0.0996 -0.0001 -0.0238 -0.0171 436 ASN A ND2 6241 N N . VAL A 437 ? 0.1193 0.0993 0.0775 0.0227 -0.0109 -0.0040 437 VAL A N 6242 C CA . VAL A 437 ? 0.0974 0.0985 0.0791 0.0165 -0.0033 -0.0027 437 VAL A CA 6243 C C . VAL A 437 ? 0.0833 0.1011 0.0772 0.0161 -0.0086 0.0002 437 VAL A C 6244 O O . VAL A 437 ? 0.0899 0.1077 0.1025 0.0184 -0.0110 -0.0074 437 VAL A O 6245 C CB . VAL A 437 ? 0.1021 0.1008 0.0801 0.0162 -0.0041 -0.0071 437 VAL A CB 6246 C CG1 . VAL A 437 ? 0.1116 0.1046 0.0766 0.0174 -0.0102 -0.0059 437 VAL A CG1 6247 C CG2 . VAL A 437 ? 0.1035 0.1106 0.0871 0.0053 0.0001 -0.0050 437 VAL A CG2 6257 N N . THR A 438 ? 0.0947 0.0979 0.0777 0.0140 -0.0089 -0.0091 438 THR A N 6258 C CA . THR A 438 ? 0.1026 0.0984 0.0911 0.0113 -0.0147 -0.0131 438 THR A CA 6259 C C . THR A 438 ? 0.0942 0.0998 0.0796 0.0093 -0.0064 -0.0199 438 THR A C 6260 O O . THR A 438 ? 0.0914 0.1035 0.1038 0.0085 -0.0080 -0.0106 438 THR A O 6261 C CB . THR A 438 ? 0.1435 0.1081 0.0957 0.0166 -0.0205 -0.0072 438 THR A CB 6262 O OG1 . THR A 438 ? 0.1295 0.1342 0.0999 0.0130 -0.0324 -0.0056 438 THR A OG1 6263 C CG2 . THR A 438 ? 0.1483 0.1327 0.1039 -0.0047 -0.0380 -0.0133 438 THR A CG2 6270 N N . ILE A 439 ? 0.0869 0.0941 0.0898 0.0087 -0.0096 -0.0107 439 ILE A N 6271 C CA . ILE A 439 ? 0.0925 0.0910 0.0984 0.0106 -0.0189 -0.0078 439 ILE A CA 6272 C C . ILE A 439 ? 0.0838 0.0969 0.0924 0.0027 -0.0071 -0.0081 439 ILE A C 6273 O O . ILE A 439 ? 0.0898 0.1054 0.1126 0.0105 -0.0183 -0.0240 439 ILE A O 6274 C CB . ILE A 439 ? 0.0829 0.1087 0.0930 0.0140 -0.0209 -0.0090 439 ILE A CB 6275 C CG1 . ILE A 439 ? 0.0880 0.1190 0.1058 0.0069 -0.0152 -0.0010 439 ILE A CG1 6276 C CG2 . ILE A 439 ? 0.1079 0.1128 0.1026 0.0274 -0.0237 -0.0190 439 ILE A CG2 6277 C CD1 . ILE A 439 ? 0.1011 0.1796 0.1076 0.0007 -0.0100 -0.0103 439 ILE A CD1 6289 N N . ARG A 440 ? 0.0836 0.0871 0.1011 0.0017 -0.0200 -0.0153 440 ARG A N 6290 C CA . ARG A 440 ? 0.1124 0.0949 0.0935 0.0046 -0.0272 -0.0226 440 ARG A CA 6291 C C . ARG A 440 ? 0.0912 0.1030 0.0989 0.0034 -0.0194 -0.0239 440 ARG A C 6292 O O . ARG A 440 ? 0.0998 0.0907 0.1074 0.0100 -0.0217 -0.0167 440 ARG A O 6293 C CB . ARG A 440 ? 0.1359 0.1073 0.0884 0.0103 -0.0266 -0.0187 440 ARG A CB 6294 C CG . ARG A 440 ? 0.1231 0.1222 0.0938 0.0120 -0.0211 -0.0178 440 ARG A CG 6295 C CD . ARG A 440 ? 0.1621 0.1359 0.0823 0.0139 -0.0180 -0.0123 440 ARG A CD 6296 N NE . ARG A 440 ? 0.1423 0.1398 0.0788 0.0263 -0.0152 -0.0124 440 ARG A NE 6297 C CZ . ARG A 440 ? 0.1332 0.1362 0.0844 0.0143 -0.0152 -0.0142 440 ARG A CZ 6298 N NH1 . ARG A 440 ? 0.1595 0.1516 0.0998 0.0317 -0.0091 -0.0310 440 ARG A NH1 6299 N NH2 . ARG A 440 ? 0.1626 0.1573 0.0804 0.0431 -0.0174 -0.0138 440 ARG A NH2 6313 N N . PHE A 441 ? 0.1048 0.0969 0.1119 0.0084 -0.0221 -0.0179 441 PHE A N 6314 C CA . PHE A 441 ? 0.1083 0.0953 0.1173 -0.0052 -0.0245 -0.0111 441 PHE A CA 6315 C C . PHE A 441 ? 0.1286 0.1053 0.1184 -0.0052 -0.0285 -0.0216 441 PHE A C 6316 O O . PHE A 441 ? 0.1268 0.1008 0.1428 -0.0046 -0.0401 -0.0222 441 PHE A O 6317 C CB . PHE A 441 ? 0.1225 0.0915 0.1213 -0.0057 -0.0320 -0.0124 441 PHE A CB 6318 C CG . PHE A 441 ? 0.1145 0.1037 0.1046 -0.0103 -0.0264 -0.0240 441 PHE A CG 6319 C CD1 . PHE A 441 ? 0.1331 0.1097 0.1237 -0.0157 -0.0299 -0.0272 441 PHE A CD1 6320 C CD2 . PHE A 441 ? 0.1250 0.1131 0.1088 -0.0101 -0.0156 -0.0193 441 PHE A CD2 6321 C CE1 . PHE A 441 ? 0.1337 0.1398 0.1303 -0.0268 -0.0087 -0.0206 441 PHE A CE1 6322 C CE2 . PHE A 441 ? 0.1317 0.1299 0.1109 0.0000 -0.0218 -0.0380 441 PHE A CE2 6323 C CZ . PHE A 441 ? 0.1146 0.1687 0.1239 -0.0131 -0.0249 -0.0408 441 PHE A CZ 6333 N N . THR A 442 ? 0.1258 0.1011 0.1259 -0.0030 -0.0287 -0.0197 442 THR A N 6334 C CA . THR A 442 ? 0.1394 0.0909 0.1431 0.0005 -0.0334 -0.0188 442 THR A CA 6335 C C . THR A 442 ? 0.1426 0.0914 0.1367 0.0051 -0.0243 -0.0276 442 THR A C 6336 O O . THR A 442 ? 0.1400 0.1193 0.1420 -0.0058 -0.0265 -0.0145 442 THR A O 6337 C CB . THR A 442 ? 0.1613 0.1002 0.1540 0.0021 0.0000 -0.0197 442 THR A CB 6338 O OG1 . THR A 442 ? 0.1683 0.1315 0.1568 0.0061 0.0042 -0.0237 442 THR A OG1 6339 C CG2 . THR A 442 ? 0.2302 0.1051 0.2155 -0.0120 0.0003 -0.0438 442 THR A CG2 6346 N N . THR A 443 ? 0.1338 0.1112 0.1286 0.0014 -0.0100 -0.0285 443 THR A N 6347 C CA . THR A 443 ? 0.1596 0.1038 0.1204 0.0009 -0.0153 -0.0194 443 THR A CA 6348 C C A THR A 443 ? 0.1551 0.0864 0.1494 -0.0053 -0.0059 -0.0266 443 THR A C 6349 C C B THR A 443 ? 0.2207 0.1317 0.1055 0.0284 -0.0206 -0.0298 443 THR A C 6350 O O A THR A 443 ? 0.1779 0.0811 0.1607 -0.0055 -0.0532 -0.0305 443 THR A O 6351 O O B THR A 443 ? 0.4177 0.1385 0.1922 0.0600 -0.1020 -0.0655 443 THR A O 6352 C CB . THR A 443 ? 0.1508 0.1250 0.1122 -0.0073 -0.0061 -0.0114 443 THR A CB 6353 O OG1 . THR A 443 ? 0.1531 0.1369 0.1309 -0.0148 -0.0123 -0.0356 443 THR A OG1 6354 C CG2 . THR A 443 ? 0.1240 0.1402 0.1313 0.0081 -0.0081 -0.0065 443 THR A CG2 6360 N N A ASN A 444 ? 0.1210 0.1074 0.1498 -0.0129 0.0013 -0.0092 444 ASN A N 6361 N N B ASN A 444 ? 0.1121 0.1266 0.1535 0.0211 -0.0080 -0.0130 444 ASN A N 6362 C CA . ASN A 444 ? 0.1362 0.1277 0.1616 0.0293 0.0003 -0.0122 444 ASN A CA 6363 C C . ASN A 444 ? 0.1176 0.1176 0.1586 0.0056 -0.0008 -0.0185 444 ASN A C 6364 O O . ASN A 444 ? 0.1732 0.1630 0.1752 0.0689 -0.0013 -0.0061 444 ASN A O 6365 C CB . ASN A 444 ? 0.1522 0.2028 0.2063 0.0461 0.0003 -0.0271 444 ASN A CB 6366 C CG . ASN A 444 ? 0.2760 0.3150 0.2238 0.0955 0.0086 -0.0284 444 ASN A CG 6367 O OD1 . ASN A 444 ? 0.4710 0.3296 0.4148 0.2141 -0.1700 -0.1868 444 ASN A OD1 6368 N ND2 . ASN A 444 ? 0.5887 0.2679 0.2621 0.0685 0.0583 0.0341 444 ASN A ND2 6372 N N . ASN A 445 ? 0.1028 0.0988 0.1393 0.0011 -0.0104 -0.0142 445 ASN A N 6373 C CA . ASN A 445 ? 0.1073 0.0817 0.1443 -0.0076 -0.0037 -0.0133 445 ASN A CA 6374 C C . ASN A 445 ? 0.1098 0.0939 0.1336 -0.0108 0.0031 -0.0163 445 ASN A C 6375 O O . ASN A 445 ? 0.0995 0.0852 0.1471 -0.0056 -0.0008 -0.0111 445 ASN A O 6376 C CB . ASN A 445 ? 0.1063 0.0953 0.1329 -0.0189 -0.0048 -0.0181 445 ASN A CB 6377 C CG . ASN A 445 ? 0.0844 0.0849 0.1429 0.0023 -0.0026 -0.0081 445 ASN A CG 6378 O OD1 . ASN A 445 ? 0.1173 0.0878 0.1421 -0.0097 -0.0072 0.0046 445 ASN A OD1 6379 N ND2 . ASN A 445 ? 0.0956 0.0871 0.1267 -0.0146 0.0000 -0.0075 445 ASN A ND2 6386 N N . PRO A 446 ? 0.1048 0.0753 0.1844 -0.0077 0.0052 -0.0126 446 PRO A N 6387 C CA . PRO A 446 ? 0.0933 0.0907 0.1945 -0.0166 0.0002 -0.0276 446 PRO A CA 6388 C C . PRO A 446 ? 0.0925 0.0837 0.1792 -0.0241 0.0070 -0.0007 446 PRO A C 6389 O O . PRO A 446 ? 0.1074 0.1076 0.1694 -0.0075 0.0030 0.0050 446 PRO A O 6390 C CB . PRO A 446 ? 0.1219 0.0929 0.2272 -0.0184 0.0180 -0.0272 446 PRO A CB 6391 C CG . PRO A 446 ? 0.1170 0.0869 0.2561 -0.0195 0.0209 -0.0374 446 PRO A CG 6392 C CD . PRO A 446 ? 0.1153 0.0799 0.2080 -0.0174 0.0127 -0.0243 446 PRO A CD 6400 N N . GLY A 447 ? 0.1058 0.0834 0.1540 -0.0181 -0.0032 -0.0101 447 GLY A N 6401 C CA . GLY A 447 ? 0.1004 0.0983 0.1509 -0.0108 0.0048 -0.0058 447 GLY A CA 6402 C C . GLY A 447 ? 0.0901 0.0912 0.1331 -0.0180 -0.0083 -0.0084 447 GLY A C 6403 O O . GLY A 447 ? 0.0913 0.0868 0.1400 -0.0098 0.0070 -0.0076 447 GLY A O 6407 N N . PRO A 448 ? 0.0943 0.0848 0.1229 -0.0140 -0.0016 -0.0016 448 PRO A N 6408 C CA . PRO A 448 ? 0.0729 0.0844 0.1310 -0.0078 -0.0082 0.0011 448 PRO A CA 6409 C C . PRO A 448 ? 0.0838 0.0850 0.1039 -0.0047 -0.0036 -0.0036 448 PRO A C 6410 O O . PRO A 448 ? 0.0878 0.0858 0.1138 -0.0065 -0.0016 0.0077 448 PRO A O 6411 C CB . PRO A 448 ? 0.0747 0.0977 0.1454 -0.0134 -0.0007 -0.0006 448 PRO A CB 6412 C CG . PRO A 448 ? 0.0774 0.1029 0.1305 -0.0185 -0.0063 0.0066 448 PRO A CG 6413 C CD . PRO A 448 ? 0.0953 0.0968 0.1389 -0.0177 -0.0032 0.0059 448 PRO A CD 6421 N N . TRP A 449 ? 0.0717 0.0864 0.1114 -0.0070 -0.0048 0.0022 449 TRP A N 6422 C CA . TRP A 449 ? 0.0699 0.0868 0.1020 -0.0137 -0.0021 -0.0073 449 TRP A CA 6423 C C . TRP A 449 ? 0.0704 0.0923 0.0932 -0.0124 -0.0048 -0.0011 449 TRP A C 6424 O O . TRP A 449 ? 0.0811 0.0858 0.1083 -0.0040 -0.0125 -0.0055 449 TRP A O 6425 C CB . TRP A 449 ? 0.0670 0.0877 0.1177 -0.0081 -0.0014 -0.0117 449 TRP A CB 6426 C CG . TRP A 449 ? 0.0732 0.0835 0.1290 -0.0063 -0.0098 -0.0141 449 TRP A CG 6427 C CD1 . TRP A 449 ? 0.0903 0.1016 0.1247 -0.0048 -0.0103 -0.0168 449 TRP A CD1 6428 C CD2 . TRP A 449 ? 0.0715 0.0844 0.1259 -0.0041 -0.0028 -0.0129 449 TRP A CD2 6429 N NE1 . TRP A 449 ? 0.0938 0.0845 0.1486 0.0017 -0.0138 -0.0299 449 TRP A NE1 6430 C CE2 . TRP A 449 ? 0.0766 0.0870 0.1436 -0.0042 -0.0036 -0.0176 449 TRP A CE2 6431 C CE3 . TRP A 449 ? 0.0660 0.0879 0.1361 -0.0131 -0.0016 -0.0082 449 TRP A CE3 6432 C CZ2 . TRP A 449 ? 0.1048 0.0743 0.1532 -0.0042 -0.0038 -0.0040 449 TRP A CZ2 6433 C CZ3 . TRP A 449 ? 0.0821 0.0901 0.1220 -0.0090 0.0044 -0.0048 449 TRP A CZ3 6434 C CH2 . TRP A 449 ? 0.0704 0.0962 0.1418 -0.0009 0.0013 0.0039 449 TRP A CH2 6445 N N . PHE A 450 ? 0.0702 0.0858 0.1035 -0.0004 -0.0062 -0.0034 450 PHE A N 6446 C CA . PHE A 450 ? 0.0618 0.0872 0.1098 0.0020 -0.0025 -0.0038 450 PHE A CA 6447 C C . PHE A 450 ? 0.0736 0.0792 0.1026 -0.0008 -0.0082 -0.0062 450 PHE A C 6448 O O . PHE A 450 ? 0.0638 0.1022 0.1253 0.0017 -0.0006 0.0102 450 PHE A O 6449 C CB . PHE A 450 ? 0.0690 0.0957 0.1140 -0.0005 -0.0038 -0.0061 450 PHE A CB 6450 C CG . PHE A 450 ? 0.0728 0.0858 0.1094 -0.0038 0.0000 0.0026 450 PHE A CG 6451 C CD1 . PHE A 450 ? 0.0673 0.1040 0.1105 0.0009 0.0059 0.0006 450 PHE A CD1 6452 C CD2 . PHE A 450 ? 0.0778 0.1331 0.1126 -0.0013 0.0030 -0.0059 450 PHE A CD2 6453 C CE1 . PHE A 450 ? 0.0684 0.1131 0.1213 0.0116 0.0058 0.0137 450 PHE A CE1 6454 C CE2 . PHE A 450 ? 0.0917 0.1677 0.1218 -0.0018 0.0041 -0.0392 450 PHE A CE2 6455 C CZ . PHE A 450 ? 0.0734 0.1216 0.1418 0.0081 0.0098 -0.0218 450 PHE A CZ 6465 N N . LEU A 451 ? 0.0574 0.0801 0.1139 0.0021 -0.0074 -0.0064 451 LEU A N 6466 C CA . LEU A 451 ? 0.0638 0.0859 0.1104 -0.0015 -0.0029 0.0043 451 LEU A CA 6467 C C . LEU A 451 ? 0.0654 0.0898 0.0996 0.0012 -0.0017 -0.0087 451 LEU A C 6468 O O . LEU A 451 ? 0.0667 0.0880 0.1340 0.0025 -0.0052 -0.0030 451 LEU A O 6469 C CB . LEU A 451 ? 0.0844 0.0934 0.1062 0.0033 -0.0078 -0.0089 451 LEU A CB 6470 C CG . LEU A 451 ? 0.0850 0.1095 0.1003 0.0179 -0.0190 0.0001 451 LEU A CG 6471 C CD1 . LEU A 451 ? 0.0969 0.1238 0.1149 0.0082 -0.0086 0.0126 451 LEU A CD1 6472 C CD2 . LEU A 451 ? 0.1343 0.1804 0.1144 -0.0156 -0.0249 0.0085 451 LEU A CD2 6484 N N . HIS A 452 ? 0.0643 0.0825 0.0970 0.0013 0.0019 -0.0024 452 HIS A N 6485 C CA . HIS A 452 ? 0.0627 0.0932 0.1002 0.0038 0.0011 -0.0081 452 HIS A CA 6486 C C . HIS A 452 ? 0.0706 0.0849 0.0777 0.0065 0.0023 -0.0049 452 HIS A C 6487 O O . HIS A 452 ? 0.0667 0.0885 0.0956 0.0051 0.0012 -0.0045 452 HIS A O 6488 C CB . HIS A 452 ? 0.0878 0.1079 0.0983 -0.0118 0.0073 -0.0067 452 HIS A CB 6489 C CG . HIS A 452 ? 0.1111 0.1035 0.0809 -0.0142 0.0066 0.0036 452 HIS A CG 6490 N ND1 . HIS A 452 ? 0.1138 0.0873 0.0947 -0.0080 0.0020 0.0023 452 HIS A ND1 6491 C CD2 . HIS A 452 ? 0.1489 0.0983 0.0820 -0.0245 0.0018 0.0031 452 HIS A CD2 6492 C CE1 . HIS A 452 ? 0.1569 0.0905 0.0856 -0.0023 -0.0081 0.0083 452 HIS A CE1 6493 N NE2 . HIS A 452 ? 0.1791 0.0972 0.0877 0.0144 -0.0053 0.0148 452 HIS A NE2 6501 N N . CYS A 453 ? 0.0701 0.0796 0.1073 0.0095 -0.0068 -0.0082 453 CYS A N 6502 C CA . CYS A 453 ? 0.0788 0.0851 0.0878 0.0114 -0.0027 -0.0078 453 CYS A CA 6503 C C . CYS A 453 ? 0.0721 0.0729 0.0911 0.0021 0.0055 -0.0003 453 CYS A C 6504 O O . CYS A 453 ? 0.0850 0.0917 0.0882 0.0033 0.0089 -0.0033 453 CYS A O 6505 C CB . CYS A 453 ? 0.0732 0.0925 0.1072 0.0114 -0.0078 0.0006 453 CYS A CB 6506 S SG . CYS A 453 ? 0.0942 0.0856 0.1049 0.0081 -0.0020 0.0052 453 CYS A SG 6511 N N . HIS A 454 ? 0.0715 0.0848 0.0831 0.0000 -0.0036 0.0011 454 HIS A N 6512 C CA . HIS A 454 ? 0.0820 0.0965 0.0754 0.0048 -0.0007 0.0033 454 HIS A CA 6513 C C . HIS A 454 ? 0.1063 0.0984 0.0779 0.0078 -0.0048 -0.0023 454 HIS A C 6514 O O . HIS A 454 ? 0.1588 0.1172 0.1051 0.0406 -0.0400 -0.0250 454 HIS A O 6515 C CB . HIS A 454 ? 0.0793 0.0925 0.0782 0.0026 0.0019 0.0029 454 HIS A CB 6516 C CG . HIS A 454 ? 0.0705 0.0950 0.0862 0.0045 0.0015 -0.0001 454 HIS A CG 6517 N ND1 . HIS A 454 ? 0.0847 0.0818 0.0864 0.0005 -0.0020 -0.0016 454 HIS A ND1 6518 C CD2 . HIS A 454 ? 0.0814 0.0961 0.0777 -0.0052 0.0008 -0.0093 454 HIS A CD2 6519 C CE1 . HIS A 454 ? 0.0689 0.0901 0.0863 -0.0045 -0.0021 0.0050 454 HIS A CE1 6520 N NE2 . HIS A 454 ? 0.0899 0.0975 0.0800 0.0045 -0.0050 -0.0001 454 HIS A NE2 6528 N N . ILE A 455 ? 0.0832 0.0896 0.0908 0.0148 -0.0013 -0.0059 455 ILE A N 6529 C CA . ILE A 455 ? 0.0756 0.0943 0.0959 -0.0019 0.0020 -0.0101 455 ILE A CA 6530 C C . ILE A 455 ? 0.0859 0.0912 0.1003 0.0092 -0.0018 -0.0056 455 ILE A C 6531 O O . ILE A 455 ? 0.0889 0.1056 0.1008 0.0057 0.0000 -0.0046 455 ILE A O 6532 C CB . ILE A 455 ? 0.0892 0.0944 0.0980 0.0063 -0.0037 -0.0088 455 ILE A CB 6533 C CG1 . ILE A 455 ? 0.0897 0.1031 0.1033 0.0059 -0.0049 -0.0138 455 ILE A CG1 6534 C CG2 . ILE A 455 ? 0.0806 0.1041 0.0973 0.0062 0.0026 -0.0106 455 ILE A CG2 6535 C CD1 . ILE A 455 ? 0.1147 0.0876 0.1129 0.0089 0.0104 -0.0062 455 ILE A CD1 6547 N N . ASP A 456 ? 0.1033 0.1187 0.0941 -0.0111 -0.0002 0.0082 456 ASP A N 6548 C CA . ASP A 456 ? 0.1044 0.1284 0.1180 -0.0167 -0.0053 0.0246 456 ASP A CA 6549 C C . ASP A 456 ? 0.1144 0.1302 0.0852 -0.0102 0.0000 0.0034 456 ASP A C 6550 O O . ASP A 456 ? 0.1061 0.1510 0.1059 -0.0101 0.0086 0.0056 456 ASP A O 6551 C CB . ASP A 456 ? 0.1344 0.2124 0.1208 -0.0394 -0.0031 0.0475 456 ASP A CB 6552 C CG . ASP A 456 ? 0.1024 0.1854 0.1365 0.0200 0.0105 0.0018 456 ASP A CG 6553 O OD1 . ASP A 456 ? 0.1576 0.1641 0.1636 -0.0063 0.0066 0.0155 456 ASP A OD1 6554 O OD2 . ASP A 456 ? 0.2055 0.1896 0.1393 0.0013 0.0247 0.0201 456 ASP A OD2 6559 N N . TRP A 457 ? 0.1103 0.1286 0.1008 -0.0017 0.0049 -0.0069 457 TRP A N 6560 C CA . TRP A 457 ? 0.1367 0.1579 0.0918 0.0049 0.0124 -0.0190 457 TRP A CA 6561 C C . TRP A 457 ? 0.1206 0.1444 0.1102 0.0071 0.0118 -0.0079 457 TRP A C 6562 O O . TRP A 457 ? 0.1136 0.2186 0.1308 0.0286 0.0226 -0.0183 457 TRP A O 6563 C CB . TRP A 457 ? 0.1579 0.1613 0.1275 0.0205 0.0013 -0.0125 457 TRP A CB 6564 C CG . TRP A 457 ? 0.1158 0.1515 0.1334 0.0058 0.0063 -0.0085 457 TRP A CG 6565 C CD1 . TRP A 457 ? 0.1188 0.2230 0.1202 -0.0111 0.0044 0.0113 457 TRP A CD1 6566 C CD2 . TRP A 457 ? 0.1277 0.1676 0.1287 -0.0083 0.0173 -0.0212 457 TRP A CD2 6567 N NE1 . TRP A 457 ? 0.1352 0.1824 0.1305 -0.0149 0.0161 0.0033 457 TRP A NE1 6568 C CE2 . TRP A 457 ? 0.1308 0.1567 0.1242 -0.0077 0.0146 -0.0113 457 TRP A CE2 6569 C CE3 . TRP A 457 ? 0.1299 0.1884 0.1460 -0.0225 0.0201 -0.0287 457 TRP A CE3 6570 C CZ2 . TRP A 457 ? 0.1488 0.1859 0.1309 -0.0367 0.0030 -0.0099 457 TRP A CZ2 6571 C CZ3 . TRP A 457 ? 0.1656 0.2324 0.1304 -0.0367 0.0276 -0.0076 457 TRP A CZ3 6572 C CH2 . TRP A 457 ? 0.1688 0.2165 0.1301 -0.0333 0.0186 0.0015 457 TRP A CH2 6583 N N . HIS A 458 ? 0.1167 0.1102 0.0900 0.0137 0.0140 -0.0057 458 HIS A N 6584 C CA . HIS A 458 ? 0.0852 0.1072 0.1111 0.0185 0.0103 0.0000 458 HIS A CA 6585 C C . HIS A 458 ? 0.0756 0.1169 0.1012 0.0168 0.0157 0.0002 458 HIS A C 6586 O O . HIS A 458 ? 0.0868 0.1189 0.1178 0.0162 0.0054 0.0070 458 HIS A O 6587 C CB . HIS A 458 ? 0.0940 0.0993 0.1057 0.0194 0.0101 -0.0077 458 HIS A CB 6588 C CG . HIS A 458 ? 0.1011 0.1018 0.0822 0.0143 0.0025 -0.0060 458 HIS A CG 6589 N ND1 . HIS A 458 ? 0.0856 0.0913 0.1096 0.0113 0.0075 0.0041 458 HIS A ND1 6590 C CD2 . HIS A 458 ? 0.0976 0.1052 0.1100 0.0175 0.0170 -0.0022 458 HIS A CD2 6591 C CE1 . HIS A 458 ? 0.1101 0.0891 0.1111 0.0131 0.0077 -0.0047 458 HIS A CE1 6592 N NE2 . HIS A 458 ? 0.1083 0.0891 0.1258 0.0226 0.0018 -0.0119 458 HIS A NE2 6600 N N . LEU A 459 ? 0.0907 0.0996 0.1186 0.0087 0.0093 -0.0020 459 LEU A N 6601 C CA . LEU A 459 ? 0.0888 0.1128 0.1049 0.0058 0.0009 0.0064 459 LEU A CA 6602 C C . LEU A 459 ? 0.0826 0.1170 0.1112 0.0065 0.0042 0.0125 459 LEU A C 6603 O O . LEU A 459 ? 0.0850 0.1284 0.1376 -0.0047 0.0053 0.0103 459 LEU A O 6604 C CB . LEU A 459 ? 0.0979 0.1269 0.1098 0.0129 0.0027 0.0080 459 LEU A CB 6605 C CG . LEU A 459 ? 0.1111 0.1138 0.1067 0.0105 0.0106 0.0053 459 LEU A CG 6606 C CD1 . LEU A 459 ? 0.1200 0.1256 0.1169 0.0045 0.0121 -0.0029 459 LEU A CD1 6607 C CD2 . LEU A 459 ? 0.1174 0.1267 0.1202 0.0105 0.0013 0.0060 459 LEU A CD2 6619 N N . GLU A 460 ? 0.0994 0.1392 0.1053 0.0078 0.0053 0.0000 460 GLU A N 6620 C CA . GLU A 460 ? 0.1021 0.1698 0.1092 0.0001 0.0129 0.0032 460 GLU A CA 6621 C C . GLU A 460 ? 0.0906 0.1823 0.1186 0.0158 0.0220 -0.0046 460 GLU A C 6622 O O . GLU A 460 ? 0.0968 0.2399 0.1562 0.0108 0.0288 0.0176 460 GLU A O 6630 N N . ALA A 461 ? 0.1024 0.1467 0.1230 0.0217 0.0163 -0.0157 461 ALA A N 6631 C CA . ALA A 461 ? 0.1184 0.1443 0.1284 0.0292 0.0095 -0.0260 461 ALA A CA 6632 C C . ALA A 461 ? 0.0866 0.1341 0.1352 0.0104 0.0095 -0.0056 461 ALA A C 6633 O O . ALA A 461 ? 0.1021 0.1412 0.1406 0.0214 0.0018 -0.0086 461 ALA A O 6634 C CB . ALA A 461 ? 0.1524 0.1385 0.1755 0.0432 -0.0116 -0.0387 461 ALA A CB 6640 N N . GLY A 462 ? 0.0907 0.1324 0.1232 0.0135 0.0121 -0.0065 462 GLY A N 6641 C CA . GLY A 462 ? 0.0894 0.1272 0.1381 0.0095 0.0189 -0.0078 462 GLY A CA 6642 C C . GLY A 462 ? 0.0767 0.1030 0.1337 0.0163 -0.0031 -0.0038 462 GLY A C 6643 O O . GLY A 462 ? 0.0751 0.1136 0.1349 0.0050 0.0055 -0.0050 462 GLY A O 6647 N N . PHE A 463 ? 0.0791 0.1036 0.1142 0.0081 0.0037 -0.0044 463 PHE A N 6648 C CA . PHE A 463 ? 0.0797 0.0948 0.1137 0.0168 0.0053 0.0016 463 PHE A CA 6649 C C . PHE A 463 ? 0.0642 0.1003 0.1074 0.0078 0.0010 -0.0008 463 PHE A C 6650 O O . PHE A 463 ? 0.0601 0.1024 0.1277 0.0074 0.0022 -0.0024 463 PHE A O 6651 C CB . PHE A 463 ? 0.0680 0.0965 0.1159 0.0102 -0.0011 -0.0119 463 PHE A CB 6652 C CG . PHE A 463 ? 0.0741 0.0904 0.1122 0.0130 -0.0021 -0.0110 463 PHE A CG 6653 C CD1 . PHE A 463 ? 0.0886 0.0971 0.1100 0.0114 -0.0012 -0.0085 463 PHE A CD1 6654 C CD2 . PHE A 463 ? 0.0799 0.0920 0.1031 0.0168 -0.0014 -0.0085 463 PHE A CD2 6655 C CE1 . PHE A 463 ? 0.0981 0.1123 0.1106 0.0148 -0.0059 -0.0109 463 PHE A CE1 6656 C CE2 . PHE A 463 ? 0.0944 0.1034 0.1060 0.0169 0.0030 -0.0080 463 PHE A CE2 6657 C CZ . PHE A 463 ? 0.0940 0.1093 0.1030 0.0155 -0.0008 -0.0042 463 PHE A CZ 6667 N N . ALA A 464 ? 0.0653 0.1023 0.1213 0.0098 -0.0034 -0.0039 464 ALA A N 6668 C CA . ALA A 464 ? 0.0730 0.0939 0.1227 0.0105 -0.0012 -0.0032 464 ALA A CA 6669 C C . ALA A 464 ? 0.0648 0.0965 0.1118 -0.0001 -0.0031 0.0071 464 ALA A C 6670 O O . ALA A 464 ? 0.0605 0.1155 0.1211 0.0037 -0.0042 -0.0073 464 ALA A O 6671 C CB . ALA A 464 ? 0.0805 0.1094 0.1337 0.0119 0.0000 0.0071 464 ALA A CB 6677 N N . ILE A 465 ? 0.0628 0.0892 0.1357 0.0062 -0.0030 -0.0042 465 ILE A N 6678 C CA . ILE A 465 ? 0.0617 0.1004 0.1247 0.0017 -0.0076 -0.0088 465 ILE A CA 6679 C C . ILE A 465 ? 0.0594 0.0978 0.1137 -0.0021 -0.0067 -0.0107 465 ILE A C 6680 O O . ILE A 465 ? 0.0644 0.0976 0.1570 -0.0028 -0.0160 0.0004 465 ILE A O 6681 C CB . ILE A 465 ? 0.0857 0.1644 0.1232 0.0287 -0.0197 0.0028 465 ILE A CB 6682 C CG1 A ILE A 465 ? 0.1799 0.1721 0.1921 -0.0408 -0.0572 -0.0046 465 ILE A CG1 6683 C CG1 B ILE A 465 ? 0.1359 0.1089 0.0888 0.0427 0.0060 0.0107 465 ILE A CG1 6684 C CG2 A ILE A 465 ? 0.0757 0.1101 0.1543 -0.0312 -0.0063 -0.0099 465 ILE A CG2 6685 C CG2 B ILE A 465 ? 0.0750 0.1200 0.1038 0.0166 -0.0123 -0.0047 465 ILE A CG2 6686 C CD1 A ILE A 465 ? 0.2557 0.2524 0.2474 -0.0035 -0.1202 0.0377 465 ILE A CD1 6687 C CD1 B ILE A 465 ? 0.1190 0.1690 0.1041 -0.0061 -0.0086 0.0037 465 ILE A CD1 6690 N N . VAL A 466 ? 0.0668 0.0921 0.1283 -0.0018 -0.0116 -0.0108 466 VAL A N 6691 C CA . VAL A 466 ? 0.0662 0.1019 0.1090 0.0010 -0.0037 -0.0107 466 VAL A CA 6692 C C . VAL A 466 ? 0.0644 0.0907 0.1302 -0.0100 -0.0062 -0.0089 466 VAL A C 6693 O O . VAL A 466 ? 0.0685 0.1137 0.1470 -0.0042 -0.0194 -0.0297 466 VAL A O 6694 C CB . VAL A 466 ? 0.0772 0.1023 0.1285 -0.0083 -0.0034 -0.0040 466 VAL A CB 6695 C CG1 . VAL A 466 ? 0.0999 0.0995 0.1464 -0.0098 0.0047 0.0098 466 VAL A CG1 6696 C CG2 . VAL A 466 ? 0.0941 0.1264 0.1286 -0.0038 0.0101 0.0016 466 VAL A CG2 6706 N N . PHE A 467 ? 0.0775 0.0938 0.1146 -0.0080 -0.0096 -0.0157 467 PHE A N 6707 C CA . PHE A 467 ? 0.0806 0.1077 0.1176 0.0036 -0.0121 -0.0186 467 PHE A CA 6708 C C . PHE A 467 ? 0.0970 0.1043 0.1191 -0.0054 -0.0109 -0.0164 467 PHE A C 6709 O O . PHE A 467 ? 0.1032 0.0970 0.1500 -0.0112 -0.0327 -0.0176 467 PHE A O 6710 C CB . PHE A 467 ? 0.0985 0.1213 0.1214 0.0088 -0.0123 -0.0155 467 PHE A CB 6711 C CG . PHE A 467 ? 0.0755 0.1287 0.1321 0.0082 0.0020 -0.0171 467 PHE A CG 6712 C CD1 . PHE A 467 ? 0.1080 0.1795 0.1821 -0.0103 -0.0135 0.0376 467 PHE A CD1 6713 C CD2 . PHE A 467 ? 0.1089 0.1550 0.1884 -0.0232 -0.0372 0.0123 467 PHE A CD2 6714 C CE1 . PHE A 467 ? 0.1325 0.1756 0.1738 -0.0009 -0.0102 0.0145 467 PHE A CE1 6715 C CE2 . PHE A 467 ? 0.1326 0.1343 0.1905 -0.0418 -0.0253 0.0175 467 PHE A CE2 6716 C CZ . PHE A 467 ? 0.1641 0.1206 0.1555 -0.0011 -0.0017 0.0164 467 PHE A CZ 6726 N N . ALA A 468 ? 0.0833 0.1072 0.1456 -0.0028 -0.0103 -0.0183 468 ALA A N 6727 C CA . ALA A 468 ? 0.1058 0.1052 0.1228 0.0009 0.0000 -0.0169 468 ALA A CA 6728 C C . ALA A 468 ? 0.0826 0.1114 0.1380 -0.0153 -0.0048 -0.0248 468 ALA A C 6729 O O . ALA A 468 ? 0.0949 0.1214 0.1405 -0.0083 -0.0163 -0.0295 468 ALA A O 6730 C CB . ALA A 468 ? 0.0998 0.1125 0.1628 0.0056 0.0014 -0.0213 468 ALA A CB 6736 N N . GLU A 469 ? 0.0861 0.1115 0.1329 -0.0149 -0.0055 -0.0318 469 GLU A N 6737 C CA . GLU A 469 ? 0.0852 0.0962 0.1419 -0.0057 -0.0046 -0.0194 469 GLU A CA 6738 C C . GLU A 469 ? 0.0893 0.0976 0.1606 -0.0147 -0.0136 -0.0229 469 GLU A C 6739 O O . GLU A 469 ? 0.0996 0.0948 0.1676 -0.0141 -0.0032 -0.0258 469 GLU A O 6740 C CB . GLU A 469 ? 0.0851 0.0951 0.1371 -0.0104 0.0001 -0.0209 469 GLU A CB 6741 C CG . GLU A 469 ? 0.0912 0.1123 0.1565 0.0062 -0.0001 -0.0178 469 GLU A CG 6742 C CD . GLU A 469 ? 0.0898 0.1291 0.1397 0.0036 -0.0057 -0.0103 469 GLU A CD 6743 O OE1 . GLU A 469 ? 0.0924 0.1415 0.1622 -0.0243 -0.0083 -0.0069 469 GLU A OE1 6744 O OE2 . GLU A 469 ? 0.0922 0.1808 0.1530 0.0219 0.0029 0.0025 469 GLU A OE2 6751 N N . ASP A 470 ? 0.1257 0.1107 0.1572 -0.0410 0.0119 -0.0382 470 ASP A N 6752 C CA . ASP A 470 ? 0.1469 0.1079 0.1648 -0.0348 -0.0028 -0.0365 470 ASP A CA 6753 C C . ASP A 470 ? 0.1072 0.1080 0.1868 -0.0310 0.0012 -0.0384 470 ASP A C 6754 O O . ASP A 470 ? 0.1171 0.1031 0.1977 -0.0307 0.0126 -0.0219 470 ASP A O 6755 C CB . ASP A 470 ? 0.1482 0.1094 0.2093 -0.0345 0.0434 -0.0495 470 ASP A CB 6756 C CG . ASP A 470 ? 0.1741 0.1108 0.2428 -0.0408 0.0703 -0.0428 470 ASP A CG 6757 O OD1 . ASP A 470 ? 0.1889 0.1401 0.3193 -0.0510 0.0638 -0.0965 470 ASP A OD1 6758 O OD2 . ASP A 470 ? 0.1984 0.1303 0.2391 0.0010 0.0288 -0.0474 470 ASP A OD2 6763 N N . ILE A 471 ? 0.1084 0.1129 0.1663 -0.0272 0.0020 -0.0403 471 ILE A N 6764 C CA . ILE A 471 ? 0.1238 0.1448 0.1572 -0.0408 -0.0032 -0.0449 471 ILE A CA 6765 C C . ILE A 471 ? 0.0889 0.1366 0.1831 -0.0331 0.0098 -0.0544 471 ILE A C 6766 O O . ILE A 471 ? 0.1192 0.1358 0.1725 -0.0406 0.0124 -0.0375 471 ILE A O 6767 C CB . ILE A 471 ? 0.1281 0.1488 0.1595 -0.0297 -0.0033 -0.0468 471 ILE A CB 6768 C CG1 . ILE A 471 ? 0.0974 0.1519 0.2158 -0.0174 -0.0162 -0.0500 471 ILE A CG1 6769 C CG2 . ILE A 471 ? 0.1213 0.1863 0.2307 -0.0150 0.0173 -0.0164 471 ILE A CG2 6770 C CD1 . ILE A 471 ? 0.1218 0.1581 0.2567 -0.0113 -0.0269 -0.0516 471 ILE A CD1 6782 N N . PRO A 472 ? 0.1581 0.1286 0.1776 -0.0552 0.0134 -0.0550 472 PRO A N 6783 C CA . PRO A 472 ? 0.1839 0.1264 0.2122 -0.0765 0.0259 -0.0642 472 PRO A CA 6784 C C . PRO A 472 ? 0.1697 0.1125 0.2262 -0.0439 0.0632 -0.0539 472 PRO A C 6785 O O . PRO A 472 ? 0.1914 0.1205 0.2929 -0.0590 0.0763 -0.0364 472 PRO A O 6786 C CB . PRO A 472 ? 0.2157 0.1527 0.2154 -0.0902 0.0377 -0.0716 472 PRO A CB 6787 C CG . PRO A 472 ? 0.1817 0.1767 0.2221 -0.0864 0.0208 -0.0932 472 PRO A CG 6788 C CD . PRO A 472 ? 0.1704 0.1583 0.1783 -0.0651 0.0231 -0.0766 472 PRO A CD 6796 N N . ASP A 473 ? 0.1439 0.0948 0.2391 -0.0325 0.0438 -0.0531 473 ASP A N 6797 C CA . ASP A 473 ? 0.1470 0.0900 0.2850 -0.0251 0.0663 -0.0329 473 ASP A CA 6798 C C . ASP A 473 ? 0.1327 0.0769 0.2680 -0.0162 0.0377 -0.0110 473 ASP A C 6799 O O . ASP A 473 ? 0.1307 0.1222 0.3560 0.0102 0.0016 -0.0321 473 ASP A O 6810 N N . THR A 474 ? 0.1179 0.1104 0.1974 -0.0105 0.0122 -0.0391 474 THR A N 6811 C CA . THR A 474 ? 0.0895 0.1044 0.1888 -0.0126 0.0068 -0.0017 474 THR A CA 6812 C C . THR A 474 ? 0.0931 0.1048 0.2211 -0.0109 0.0018 0.0134 474 THR A C 6813 O O . THR A 474 ? 0.1167 0.1227 0.2258 -0.0169 -0.0095 0.0321 474 THR A O 6814 C CB . THR A 474 ? 0.1043 0.1026 0.1749 -0.0161 0.0001 -0.0065 474 THR A CB 6815 O OG1 . THR A 474 ? 0.1181 0.1013 0.1827 -0.0177 0.0014 -0.0090 474 THR A OG1 6816 C CG2 . THR A 474 ? 0.1106 0.1067 0.1578 -0.0150 -0.0086 0.0056 474 THR A CG2 6823 N N . ALA A 475 ? 0.1183 0.1288 0.2417 -0.0371 0.0129 0.0343 475 ALA A N 6824 C CA . ALA A 475 ? 0.1365 0.1466 0.2690 -0.0265 0.0014 0.0636 475 ALA A CA 6825 C C . ALA A 475 ? 0.1330 0.1794 0.2950 -0.0311 0.0221 0.0769 475 ALA A C 6826 O O . ALA A 475 ? 0.1914 0.1730 0.3150 -0.0245 -0.0079 0.0904 475 ALA A O 6827 C CB . ALA A 475 ? 0.1549 0.1726 0.3468 -0.0329 0.0359 0.0881 475 ALA A CB 6833 N N . SER A 476 ? 0.1206 0.1359 0.3076 -0.0302 -0.0195 0.0781 476 SER A N 6834 C CA . SER A 476 ? 0.1548 0.1197 0.3159 -0.0322 -0.0409 0.0281 476 SER A CA 6835 C C . SER A 476 ? 0.1182 0.1014 0.3445 0.0075 -0.0051 0.0078 476 SER A C 6836 O O . SER A 476 ? 0.1499 0.1174 0.3672 -0.0012 -0.0264 -0.0017 476 SER A O 6837 C CB . SER A 476 ? 0.1676 0.1226 0.3163 -0.0469 -0.0666 0.0480 476 SER A CB 6838 O OG A SER A 476 ? 0.2226 0.1299 0.2469 -0.0151 -0.0603 -0.0237 476 SER A OG 6839 O OG B SER A 476 ? 0.1844 0.1937 0.4727 -0.0009 -0.2002 -0.0738 476 SER A OG 6842 N N . ALA A 477 ? 0.1237 0.0978 0.2786 -0.0078 -0.0021 -0.0115 477 ALA A N 6843 C CA . ALA A 477 ? 0.0974 0.1432 0.2624 -0.0026 0.0013 -0.0266 477 ALA A CA 6844 C C . ALA A 477 ? 0.1271 0.1029 0.2325 -0.0048 -0.0156 0.0024 477 ALA A C 6845 O O . ALA A 477 ? 0.1241 0.1069 0.2542 -0.0168 0.0095 -0.0003 477 ALA A O 6846 C CB . ALA A 477 ? 0.1495 0.1752 0.2367 -0.0327 0.0278 -0.0076 477 ALA A CB 6852 N N . ASN A 478 ? 0.1275 0.0970 0.2287 -0.0245 0.0053 0.0062 478 ASN A N 6853 C CA . ASN A 478 ? 0.1278 0.1096 0.2035 -0.0039 0.0059 0.0132 478 ASN A CA 6854 C C . ASN A 478 ? 0.1554 0.1378 0.2273 0.0111 0.0249 0.0505 478 ASN A C 6855 O O . ASN A 478 ? 0.1853 0.1431 0.2503 0.0077 0.0445 0.0560 478 ASN A O 6856 C CB . ASN A 478 ? 0.1497 0.1085 0.1831 -0.0073 -0.0013 0.0194 478 ASN A CB 6857 C CG . ASN A 478 ? 0.1227 0.0795 0.1914 -0.0167 -0.0077 0.0084 478 ASN A CG 6858 O OD1 . ASN A 478 ? 0.1234 0.0912 0.1956 -0.0178 -0.0124 -0.0021 478 ASN A OD1 6859 N ND2 . ASN A 478 ? 0.1128 0.1200 0.1994 -0.0122 -0.0056 0.0239 478 ASN A ND2 6866 N N . PRO A 479 ? 0.1643 0.1100 0.2220 -0.0112 0.0219 0.0353 479 PRO A N 6867 C CA . PRO A 479 ? 0.1896 0.1173 0.2372 -0.0152 0.0175 0.0438 479 PRO A CA 6868 C C . PRO A 479 ? 0.1579 0.1127 0.2450 -0.0231 0.0211 0.0354 479 PRO A C 6869 O O . PRO A 479 ? 0.1601 0.1342 0.2769 -0.0293 0.0374 0.0121 479 PRO A O 6870 C CB . PRO A 479 ? 0.2119 0.1127 0.2636 -0.0161 -0.0068 0.0554 479 PRO A CB 6871 C CG . PRO A 479 ? 0.2181 0.1339 0.3079 -0.0067 -0.0131 0.0490 479 PRO A CG 6872 C CD . PRO A 479 ? 0.1889 0.1099 0.2639 0.0065 0.0045 0.0263 479 PRO A CD 6880 N N . VAL A 480 ? 0.1528 0.1156 0.2202 -0.0209 0.0174 0.0336 480 VAL A N 6881 C CA . VAL A 480 ? 0.1744 0.1291 0.2237 -0.0281 0.0351 0.0404 480 VAL A CA 6882 C C . VAL A 480 ? 0.2152 0.1287 0.2376 -0.0446 0.0136 0.0548 480 VAL A C 6883 O O . VAL A 480 ? 0.2478 0.1357 0.2575 -0.0611 0.0213 0.0605 480 VAL A O 6884 C CB . VAL A 480 ? 0.1674 0.1154 0.2462 -0.0406 0.0126 0.0416 480 VAL A CB 6885 C CG1 . VAL A 480 ? 0.1135 0.1259 0.2596 -0.0274 -0.0037 0.0485 480 VAL A CG1 6886 C CG2 . VAL A 480 ? 0.1807 0.1398 0.3087 -0.0471 0.0500 0.0527 480 VAL A CG2 6896 N N . PRO A 481 ? 0.1794 0.1199 0.2325 -0.0296 0.0154 0.0586 481 PRO A N 6897 C CA . PRO A 481 ? 0.1979 0.1349 0.2109 -0.0349 0.0090 0.0553 481 PRO A CA 6898 C C . PRO A 481 ? 0.2299 0.1249 0.2086 -0.0303 0.0236 0.0643 481 PRO A C 6899 O O . PRO A 481 ? 0.1829 0.1433 0.2053 -0.0429 0.0102 0.0624 481 PRO A O 6900 C CB . PRO A 481 ? 0.2323 0.1493 0.2010 -0.0253 -0.0179 0.0541 481 PRO A CB 6901 C CG . PRO A 481 ? 0.1846 0.1401 0.2240 -0.0160 0.0084 0.0452 481 PRO A CG 6902 C CD . PRO A 481 ? 0.1643 0.1351 0.2295 -0.0313 0.0129 0.0541 481 PRO A CD 6910 N N . GLN A 482 ? 0.2288 0.1498 0.2452 -0.0283 0.0176 0.0910 482 GLN A N 6911 C CA . GLN A 482 ? 0.2436 0.1467 0.2150 -0.0514 0.0129 0.0792 482 GLN A CA 6912 C C . GLN A 482 ? 0.1782 0.1821 0.1712 -0.0359 0.0016 0.0863 482 GLN A C 6913 O O . GLN A 482 ? 0.1805 0.1771 0.2407 -0.0540 0.0104 0.0914 482 GLN A O 6914 C CB . GLN A 482 ? 0.3192 0.1626 0.2579 -0.0527 0.0347 0.1051 482 GLN A CB 6915 C CG . GLN A 482 ? 0.3671 0.1957 0.2044 -0.0393 0.0409 0.0879 482 GLN A CG 6916 C CD . GLN A 482 ? 0.3572 0.2016 0.2660 -0.0911 0.0476 0.0357 482 GLN A CD 6917 O OE1 . GLN A 482 ? 0.3354 0.2752 0.3901 -0.0683 0.0907 0.0827 482 GLN A OE1 6918 N NE2 . GLN A 482 ? 0.3333 0.2453 0.3659 -0.1207 0.1193 -0.0448 482 GLN A NE2 6927 N N . ALA A 483 ? 0.1867 0.1551 0.1856 -0.0243 -0.0065 0.0781 483 ALA A N 6928 C CA . ALA A 483 ? 0.2228 0.1494 0.1692 -0.0243 -0.0160 0.0529 483 ALA A CA 6929 C C . ALA A 483 ? 0.1740 0.1669 0.1596 -0.0385 -0.0092 0.0559 483 ALA A C 6930 O O . ALA A 483 ? 0.1823 0.1664 0.1715 -0.0480 0.0140 0.0480 483 ALA A O 6931 C CB . ALA A 483 ? 0.2158 0.2021 0.1936 -0.0183 -0.0422 0.0613 483 ALA A CB 6937 N N . TRP A 484 ? 0.1688 0.1337 0.1495 -0.0341 -0.0080 0.0496 484 TRP A N 6938 C CA . TRP A 484 ? 0.1535 0.1089 0.1602 -0.0398 -0.0148 0.0357 484 TRP A CA 6939 C C . TRP A 484 ? 0.1378 0.1441 0.1643 -0.0369 -0.0054 0.0497 484 TRP A C 6940 O O . TRP A 484 ? 0.1475 0.1563 0.1818 -0.0345 0.0065 0.0569 484 TRP A O 6941 C CB . TRP A 484 ? 0.1326 0.1169 0.1655 -0.0267 -0.0006 0.0432 484 TRP A CB 6942 C CG . TRP A 484 ? 0.1157 0.1130 0.1613 -0.0148 0.0192 0.0339 484 TRP A CG 6943 C CD1 . TRP A 484 ? 0.1471 0.1213 0.1476 -0.0193 0.0229 0.0393 484 TRP A CD1 6944 C CD2 . TRP A 484 ? 0.1146 0.1370 0.1556 -0.0244 0.0074 0.0418 484 TRP A CD2 6945 N NE1 . TRP A 484 ? 0.1239 0.1136 0.1473 -0.0109 0.0155 0.0349 484 TRP A NE1 6946 C CE2 . TRP A 484 ? 0.1096 0.1103 0.1550 -0.0092 0.0117 0.0266 484 TRP A CE2 6947 C CE3 . TRP A 484 ? 0.1193 0.1348 0.1814 -0.0239 0.0160 0.0270 484 TRP A CE3 6948 C CZ2 . TRP A 484 ? 0.1180 0.1300 0.1655 -0.0172 0.0071 0.0221 484 TRP A CZ2 6949 C CZ3 . TRP A 484 ? 0.1269 0.1364 0.1975 -0.0404 0.0005 0.0241 484 TRP A CZ3 6950 C CH2 . TRP A 484 ? 0.1082 0.1340 0.2014 -0.0152 0.0050 0.0273 484 TRP A CH2 6961 N N . SER A 485 ? 0.1602 0.1510 0.1815 -0.0492 0.0200 0.0459 485 SER A N 6962 C CA . SER A 485 ? 0.1594 0.1689 0.2003 -0.0518 0.0217 0.0484 485 SER A CA 6963 C C . SER A 485 ? 0.1880 0.1789 0.1910 -0.0857 0.0118 0.0463 485 SER A C 6964 O O . SER A 485 ? 0.1734 0.2545 0.2143 -0.0743 0.0034 0.0478 485 SER A O 6965 C CB . SER A 485 ? 0.1855 0.1694 0.2170 -0.0783 0.0232 0.0310 485 SER A CB 6966 O OG . SER A 485 ? 0.2302 0.1637 0.2331 -0.0526 0.0380 0.0191 485 SER A OG 6971 N N . ASP A 486 ? 0.1957 0.1690 0.1578 -0.0737 0.0243 0.0413 486 ASP A N 6972 C CA . ASP A 486 ? 0.1859 0.1676 0.1661 -0.0503 0.0221 0.0577 486 ASP A CA 6973 C C . ASP A 486 ? 0.1359 0.1785 0.1648 -0.0546 0.0163 0.0388 486 ASP A C 6974 O O . ASP A 486 ? 0.1922 0.1928 0.1807 -0.0518 0.0523 0.0481 486 ASP A O 6975 C CB . ASP A 486 ? 0.2251 0.1973 0.1557 -0.0350 0.0251 0.0584 486 ASP A CB 6976 C CG . ASP A 486 ? 0.2820 0.2263 0.1759 -0.0586 0.0406 0.0626 486 ASP A CG 6977 O OD1 . ASP A 486 ? 0.3278 0.2137 0.2679 -0.0959 0.0639 0.0726 486 ASP A OD1 6978 O OD2 . ASP A 486 ? 0.3690 0.2864 0.2348 -0.0192 -0.0269 0.0933 486 ASP A OD2 6983 N N . LEU A 487 ? 0.1547 0.1635 0.1488 -0.0364 0.0260 0.0428 487 LEU A N 6984 C CA . LEU A 487 ? 0.1560 0.1637 0.1505 -0.0442 0.0210 0.0305 487 LEU A CA 6985 C C . LEU A 487 ? 0.1470 0.1739 0.1577 -0.0436 0.0102 0.0460 487 LEU A C 6986 O O . LEU A 487 ? 0.1354 0.1825 0.1819 -0.0448 0.0158 0.0253 487 LEU A O 6987 C CB . LEU A 487 ? 0.1406 0.1429 0.1670 -0.0352 0.0275 0.0379 487 LEU A CB 6988 C CG . LEU A 487 ? 0.1386 0.1539 0.1706 -0.0417 0.0205 0.0252 487 LEU A CG 6989 C CD1 . LEU A 487 ? 0.1415 0.1576 0.1610 -0.0107 0.0232 0.0322 487 LEU A CD1 6990 C CD2 . LEU A 487 ? 0.1571 0.1796 0.1888 -0.0124 0.0274 -0.0034 487 LEU A CD2 7002 N N . CYS A 488 ? 0.1500 0.2064 0.1629 -0.0468 0.0120 0.0327 488 CYS A N 7003 C CA . CYS A 488 ? 0.1238 0.2623 0.1685 -0.0415 0.0079 0.0598 488 CYS A CA 7004 C C . CYS A 488 ? 0.1493 0.2398 0.1918 -0.0535 0.0137 0.0563 488 CYS A C 7005 O O . CYS A 488 ? 0.1701 0.2628 0.2176 -0.0498 0.0581 0.0146 488 CYS A O 7006 C CB . CYS A 488 ? 0.1428 0.3836 0.1937 -0.0797 -0.0128 0.0561 488 CYS A CB 7007 S SG A CYS A 488 ? 0.1372 0.2387 0.1901 -0.0435 0.0125 0.0306 488 CYS A SG 7008 S SG B CYS A 488 ? 0.3943 0.2003 0.1911 -0.0509 0.0372 -0.0287 488 CYS A SG 7011 N N . PRO A 489 ? 0.1559 0.2460 0.2207 -0.0659 0.0288 0.0417 489 PRO A N 7012 C CA . PRO A 489 ? 0.2017 0.3082 0.2505 -0.1077 0.0545 0.0516 489 PRO A CA 7013 C C . PRO A 489 ? 0.2136 0.3547 0.1921 -0.0885 0.0705 0.0474 489 PRO A C 7014 O O . PRO A 489 ? 0.2082 0.3244 0.2228 -0.0862 0.0632 0.0344 489 PRO A O 7015 C CB . PRO A 489 ? 0.2133 0.3113 0.2953 -0.1207 0.0656 0.0635 489 PRO A CB 7016 C CG . PRO A 489 ? 0.2252 0.2996 0.3239 -0.1152 0.0484 0.0500 489 PRO A CG 7017 C CD . PRO A 489 ? 0.2150 0.2323 0.2652 -0.0912 0.0119 0.0516 489 PRO A CD 7025 N N . ALA A 490 ? 0.2212 0.2967 0.1879 -0.0888 0.0494 0.0596 490 ALA A N 7026 C CA . ALA A 490 ? 0.2479 0.2872 0.1838 -0.0668 0.0462 0.0687 490 ALA A CA 7027 C C . ALA A 490 ? 0.2071 0.2889 0.1590 -0.0615 0.0387 0.0224 490 ALA A C 7028 O O . ALA A 490 ? 0.2375 0.3334 0.1758 -0.0833 0.0509 0.0005 490 ALA A O 7029 C CB . ALA A 490 ? 0.2312 0.3136 0.1878 -0.0591 0.0109 0.0854 490 ALA A CB 7035 N N . TYR A 491 ? 0.2011 0.2397 0.1747 -0.0443 0.0493 0.0319 491 TYR A N 7036 C CA . TYR A 491 ? 0.1594 0.2547 0.1768 -0.0291 0.0440 0.0203 491 TYR A CA 7037 C C . TYR A 491 ? 0.1603 0.2948 0.2302 -0.0223 0.0603 -0.0032 491 TYR A C 7038 O O . TYR A 491 ? 0.1916 0.3245 0.2505 0.0061 0.0616 -0.0236 491 TYR A O 7039 C CB . TYR A 491 ? 0.1620 0.2669 0.1670 0.0014 0.0250 0.0511 491 TYR A CB 7040 C CG . TYR A 491 ? 0.1682 0.2430 0.1656 -0.0039 0.0175 0.0170 491 TYR A CG 7041 C CD1 . TYR A 491 ? 0.1916 0.2716 0.1484 -0.0183 0.0026 0.0235 491 TYR A CD1 7042 C CD2 . TYR A 491 ? 0.1850 0.2605 0.1732 -0.0436 -0.0029 0.0336 491 TYR A CD2 7043 C CE1 . TYR A 491 ? 0.2000 0.2704 0.1845 0.0046 0.0082 0.0050 491 TYR A CE1 7044 C CE2 . TYR A 491 ? 0.1889 0.2482 0.2083 -0.0232 0.0087 0.0523 491 TYR A CE2 7045 C CZ . TYR A 491 ? 0.1598 0.2527 0.1673 -0.0028 0.0268 0.0314 491 TYR A CZ 7046 O OH . TYR A 491 ? 0.2505 0.2343 0.1915 0.0212 0.0253 0.0039 491 TYR A OH 7055 N N . ASP A 492 ? 0.1516 0.2957 0.2568 -0.0044 0.0222 -0.0160 492 ASP A N 7056 C CA . ASP A 492 ? 0.1530 0.3544 0.2919 0.0264 0.0324 -0.0216 492 ASP A CA 7057 C C . ASP A 492 ? 0.1980 0.3519 0.3961 -0.0719 0.1343 -0.0158 492 ASP A C 7058 O O . ASP A 492 ? 0.1867 0.4829 0.3688 -0.0333 0.0936 -0.0459 492 ASP A O 7059 C CB . ASP A 492 ? 0.1509 0.4592 0.3351 -0.0176 0.0153 -0.0338 492 ASP A CB 7060 C CG . ASP A 492 ? 0.2493 0.4665 0.4232 -0.1375 0.1482 0.0500 492 ASP A CG 7061 O OD1 . ASP A 492 ? 0.2512 0.4813 0.2790 -0.1194 0.0206 0.0154 492 ASP A OD1 7062 O OD2 . ASP A 492 ? 0.5427 0.5054 0.3256 0.0971 -0.0473 0.0098 492 ASP A OD2 7067 N N . GLN A 493 ? 0.2219 0.4476 0.2754 -0.0932 0.0803 0.0058 493 GLN A N 7068 C CA . GLN A 493 ? 0.3456 0.5567 0.3518 -0.1090 0.2438 -0.0658 493 GLN A CA 7083 CU CU A CU B . ? 0.1022 0.0820 0.0774 0.0039 -0.0042 0.0051 601 CU A CU 7084 CU CU B CU B . ? 0.0557 0.0869 0.1096 -0.0047 0.0036 -0.0070 601 CU A CU 7085 CU CU A CU C . ? 0.0765 0.0816 0.0663 0.0000 0.0018 0.0008 602 CU A CU 7086 CU CU B CU C . ? 0.1296 0.0851 0.1349 -0.0029 0.0588 0.0286 602 CU A CU 7087 CU CU . CU D . ? 0.0740 0.0944 0.0777 -0.0151 -0.0043 0.0154 603 CU A CU 7088 CU CU . CU E . ? 0.0873 0.0827 0.0885 0.0132 0.0020 0.0012 604 CU A CU 7089 NA NA . NA F . ? 0.1837 0.1879 0.1279 0.0411 -0.0204 -0.0576 605 NA A NA 7090 C C1 . NAG G . ? 0.1257 0.1750 0.1339 0.0215 -0.0424 -0.0141 606 NAG A C1 7091 C C2 . NAG G . ? 0.1774 0.1864 0.1454 0.0276 -0.0511 -0.0150 606 NAG A C2 7092 C C3 . NAG G . ? 0.1579 0.1914 0.1861 0.0410 -0.0707 -0.0036 606 NAG A C3 7093 C C4 . NAG G . ? 0.1317 0.1974 0.1514 0.0159 -0.0394 -0.0153 606 NAG A C4 7094 C C5 . NAG G . ? 0.1351 0.1941 0.1276 0.0090 -0.0227 -0.0041 606 NAG A C5 7095 C C6 . NAG G . ? 0.1522 0.1760 0.1663 0.0127 -0.0369 -0.0181 606 NAG A C6 7096 C C7 . NAG G . ? 0.2486 0.1780 0.1482 0.0401 -0.0581 0.0058 606 NAG A C7 7097 C C8 . NAG G . ? 0.2727 0.1738 0.1980 0.0543 -0.0386 -0.0282 606 NAG A C8 7098 N N2 . NAG G . ? 0.1922 0.1849 0.1626 0.0448 -0.0530 -0.0038 606 NAG A N2 7099 O O3 . NAG G . ? 0.2431 0.2320 0.2282 0.0727 -0.1281 -0.0188 606 NAG A O3 7100 O O4 . NAG G . ? 0.1430 0.2281 0.1764 0.0029 -0.0404 -0.0299 606 NAG A O4 7101 O O5 . NAG G . ? 0.1442 0.1643 0.1207 0.0031 -0.0250 -0.0233 606 NAG A O5 7102 O O6 . NAG G . ? 0.1553 0.1780 0.1631 0.0077 -0.0514 -0.0154 606 NAG A O6 7103 O O7 . NAG G . ? 0.2685 0.1992 0.1627 0.0414 -0.0403 0.0092 606 NAG A O7 7115 C C1 . NAG H . ? 0.2213 0.3142 0.2396 -0.0248 -0.0877 -0.0871 607 NAG A C1 7116 C C2 . NAG H . ? 0.2413 0.2576 0.3089 -0.0134 -0.1301 -0.0591 607 NAG A C2 7117 C C3 . NAG H . ? 0.3945 0.4455 0.3951 -0.1090 -0.2230 -0.1341 607 NAG A C3 7121 C C7 . NAG H . ? 0.4288 0.2059 0.5799 0.0137 -0.2978 -0.1055 607 NAG A C7 7122 C C8 . NAG H . ? 0.3918 0.2098 0.4699 0.0552 -0.1389 -0.0451 607 NAG A C8 7123 N N2 . NAG H . ? 0.2664 0.2410 0.5161 -0.0190 -0.2075 -0.0662 607 NAG A N2 7124 O O3 . NAG H . ? 0.4916 0.3354 0.4610 -0.0700 -0.2890 -0.0177 607 NAG A O3 7128 O O7 . NAG H . ? 0.4612 0.5806 0.4565 -0.1887 -0.2746 0.0952 607 NAG A O7 7129 C C1 . NAG I . ? 0.1434 0.1445 0.1121 0.0059 0.0199 0.0018 608 NAG A C1 7130 C C2 . NAG I . ? 0.1682 0.1536 0.1202 -0.0090 0.0162 0.0122 608 NAG A C2 7131 C C3 . NAG I . ? 0.1480 0.1774 0.1182 0.0001 0.0186 0.0080 608 NAG A C3 7132 C C4 . NAG I . ? 0.1435 0.1785 0.1037 0.0036 0.0121 -0.0027 608 NAG A C4 7133 C C5 . NAG I . ? 0.1442 0.1804 0.0853 0.0048 0.0129 -0.0004 608 NAG A C5 7134 C C6 . NAG I . ? 0.1323 0.1475 0.1007 0.0004 0.0015 -0.0038 608 NAG A C6 7135 C C7 . NAG I . ? 0.1929 0.1737 0.1393 -0.0279 0.0060 0.0074 608 NAG A C7 7136 C C8 . NAG I . ? 0.2604 0.1771 0.1961 -0.0230 0.0069 0.0023 608 NAG A C8 7137 N N2 . NAG I . ? 0.1804 0.1558 0.1255 -0.0162 0.0117 0.0175 608 NAG A N2 7138 O O3 . NAG I . ? 0.1399 0.1971 0.1786 -0.0258 0.0271 -0.0121 608 NAG A O3 7139 O O4 . NAG I . ? 0.1469 0.1911 0.1106 0.0087 0.0232 -0.0050 608 NAG A O4 7140 O O5 . NAG I . ? 0.1443 0.1549 0.0990 -0.0021 0.0074 -0.0023 608 NAG A O5 7141 O O6 . NAG I . ? 0.1434 0.1507 0.1035 -0.0026 -0.0012 -0.0011 608 NAG A O6 7142 O O7 . NAG I . ? 0.2349 0.1762 0.1655 -0.0352 -0.0429 0.0131 608 NAG A O7 7153 C C1 . NAG J . ? 0.1287 0.2530 0.1457 0.0223 0.0108 -0.0013 609 NAG A C1 7154 C C2 . NAG J . ? 0.1726 0.2251 0.1368 0.0154 0.0321 -0.0152 609 NAG A C2 7155 C C3 . NAG J . ? 0.1922 0.3033 0.1810 0.0362 0.0402 -0.0292 609 NAG A C3 7156 C C4 . NAG J . ? 0.1353 0.3364 0.2458 0.0521 0.0189 -0.0504 609 NAG A C4 7157 C C5 . NAG J . ? 0.1471 0.3823 0.2236 0.0475 0.0295 -0.0277 609 NAG A C5 7158 C C6 . NAG J . ? 0.1397 0.6028 0.3662 -0.0465 -0.0217 0.0437 609 NAG A C6 7159 C C7 . NAG J . ? 0.1664 0.2200 0.1651 0.0013 0.0153 -0.0520 609 NAG A C7 7160 C C8 . NAG J . ? 0.2094 0.2294 0.2535 -0.0271 0.0008 -0.0607 609 NAG A C8 7161 N N2 . NAG J . ? 0.1619 0.2051 0.1643 0.0063 0.0322 -0.0495 609 NAG A N2 7162 O O3 . NAG J . ? 0.2915 0.3091 0.2016 0.0421 0.0843 -0.0519 609 NAG A O3 7163 O O4 . NAG J . ? 0.2077 0.5192 0.3150 0.1160 0.0498 0.0009 609 NAG A O4 7164 O O5 . NAG J . ? 0.1319 0.2707 0.1891 0.0065 0.0315 -0.0312 609 NAG A O5 7165 O O6 . NAG J . ? 0.2791 0.4791 0.4302 -0.1065 0.1045 -0.0280 609 NAG A O6 7166 O O7 . NAG J . ? 0.2016 0.2686 0.1581 0.0258 0.0013 -0.0369 609 NAG A O7 7178 C C4 . PG6 K . ? 0.3779 0.3189 0.1923 0.1692 -0.1443 -0.0918 610 PG6 A C4 7179 C C5 . PG6 K . ? 0.3533 0.1959 0.2377 0.1150 -0.1620 -0.0808 610 PG6 A C5 7180 O O3 . PG6 K . ? 0.2856 0.1930 0.1916 0.0444 -0.1047 -0.0478 610 PG6 A O3 7181 C C6 . PG6 K . ? 0.3044 0.2157 0.2644 -0.0674 -0.0325 -0.0707 610 PG6 A C6 7182 C C7 . PG6 K . ? 0.2696 0.3016 0.1563 -0.0663 -0.0093 -0.1237 610 PG6 A C7 7183 O O4 . PG6 K . ? 0.3142 0.2424 0.1516 0.0295 -0.0157 -0.0359 610 PG6 A O4 7184 C C8 . PG6 K . ? 0.3219 0.2905 0.1430 0.0735 0.0247 0.0363 610 PG6 A C8 7185 C C9 . PG6 K . ? 0.2072 0.2646 0.2035 -0.0018 0.0187 0.0790 610 PG6 A C9 7186 O O5 . PG6 K . ? 0.3468 0.2886 0.1732 -0.0552 -0.0619 0.0450 610 PG6 A O5 7187 O O3 . PG6 L . ? 0.3575 0.4414 0.3177 0.2040 -0.0147 -0.0344 611 PG6 A O3 7188 C C6 . PG6 L . ? 0.1313 0.4355 0.2939 -0.0553 0.0700 -0.0882 611 PG6 A C6 7189 C C7 . PG6 L . ? 0.2868 0.2717 0.2996 0.1332 0.0896 -0.0554 611 PG6 A C7 7190 O O4 . PG6 L . ? 0.1603 0.1674 0.3661 0.0171 -0.0927 -0.0866 611 PG6 A O4 7193 O O . HOH M . ? 0.1033 0.1083 0.2173 0.0218 -0.0013 -0.0479 703 HOH A O 7195 O O . HOH M . ? 0.1489 0.2625 0.2280 -0.0243 -0.0069 -0.0073 705 HOH A O 7196 O O . HOH M . ? 0.1087 0.2082 0.2884 0.0126 0.0499 -0.0225 706 HOH A O 7198 O O . HOH M . ? 0.1201 0.2099 0.2060 0.0016 0.0054 -0.0157 708 HOH A O 7199 O O . HOH M . ? 0.3497 0.2322 0.2517 0.0602 0.0816 0.0904 709 HOH A O 7200 O O . HOH M . ? 0.1472 0.1959 0.2250 -0.0197 -0.0011 0.0001 710 HOH A O 7201 O O . HOH M . ? 0.2492 0.5121 0.3261 0.0473 -0.0874 0.0386 711 HOH A O 7202 O O . HOH M . ? 0.2560 0.2792 0.2059 -0.0530 0.0102 -0.0658 712 HOH A O 7204 O O . HOH M . ? 0.2283 0.2850 0.6709 -0.0422 0.0139 0.1208 714 HOH A O 7205 O O . HOH M . ? 0.2865 0.2207 0.3651 -0.0407 0.0887 0.0906 715 HOH A O 7206 O O . HOH M . ? 0.2351 0.1321 0.2964 0.0136 -0.1012 -0.0379 716 HOH A O 7207 O O . HOH M . ? 0.1713 0.6245 0.3152 0.0603 0.0346 0.1140 717 HOH A O 7208 O O . HOH M . ? 0.4645 0.4091 0.2589 0.0346 0.0324 0.0720 718 HOH A O 7209 O O . HOH M . ? 0.4418 0.5684 0.3458 0.0285 -0.0099 -0.2091 719 HOH A O 7211 O O . HOH M . ? 0.2418 0.3068 0.2748 -0.0579 -0.0195 0.0000 721 HOH A O 7213 O O . HOH M . ? 0.2778 0.2097 0.5233 -0.0200 0.1707 -0.1186 723 HOH A O 7214 O O . HOH M . ? 0.2282 0.1361 0.3051 0.0062 0.0125 -0.0029 724 HOH A O 7215 O O . HOH M . ? 0.1292 0.2195 0.2555 -0.0002 0.0439 -0.0155 725 HOH A O 7216 O O . HOH M . ? 0.2895 0.4149 0.2751 -0.1010 -0.0841 0.0881 726 HOH A O 7217 O O . HOH M . ? 0.1717 0.2875 0.7628 -0.0828 0.1220 -0.1012 727 HOH A O 7218 O O . HOH M . ? 0.3365 0.3055 0.3359 0.0477 -0.0234 -0.0515 728 HOH A O 7220 O O . HOH M . ? 0.1191 0.5008 0.3501 -0.0529 0.0117 -0.1906 730 HOH A O 7221 O O . HOH M . ? 0.2772 0.1886 0.2301 -0.0029 0.0258 0.0122 731 HOH A O 7223 O O . HOH M . ? 0.2909 0.4764 0.3982 0.0281 0.0353 0.2012 733 HOH A O 7224 O O . HOH M . ? 0.2075 0.7540 0.5008 0.1473 -0.0885 -0.2849 734 HOH A O 7225 O O . HOH M . ? 0.1108 0.2480 0.4023 -0.0089 0.0109 -0.1191 735 HOH A O 7227 O O . HOH M . ? 0.0913 0.0994 0.0992 -0.0050 0.0098 -0.0061 737 HOH A O 7229 O O . HOH M . ? 0.1963 0.4029 0.1999 -0.0607 0.0159 0.0197 739 HOH A O 7231 O O . HOH M . ? 0.0866 0.1643 0.1815 0.0104 0.0051 -0.0088 741 HOH A O 7232 O O . HOH M . ? 0.1610 0.1213 0.2090 -0.0075 0.0147 0.0213 742 HOH A O 7233 O O . HOH M . ? 0.4537 0.5384 0.5630 -0.1055 0.0867 0.2150 743 HOH A O 7236 O O . HOH M . ? 0.1478 0.2712 0.1327 -0.0256 0.0146 0.0421 746 HOH A O 7237 O O . HOH M . ? 0.2581 0.3454 0.6270 -0.1179 -0.1814 0.2769 747 HOH A O 7238 O O . HOH M . ? 0.2274 0.3619 0.2027 -0.0581 0.0221 0.0631 748 HOH A O 7239 O O . HOH M . ? 0.2928 0.1899 0.1881 -0.0188 0.0115 0.0170 749 HOH A O 7240 O O . HOH M . ? 0.4421 0.3460 0.4784 0.1289 -0.2037 -0.0438 750 HOH A O 7241 O O . HOH M . ? 0.1351 0.1652 0.2553 0.0115 0.0600 0.0079 751 HOH A O 7242 O O . HOH M . ? 0.2863 0.2777 0.4005 0.0294 -0.0236 -0.1515 752 HOH A O 7243 O O . HOH M . ? 0.3073 0.1539 0.2624 0.0241 -0.1694 -0.0123 753 HOH A O 7244 O O . HOH M . ? 0.5386 0.1596 0.1142 -0.0914 0.0834 -0.0263 754 HOH A O 7245 O O . HOH M . ? 0.2346 0.3986 0.4018 0.0254 -0.0751 0.0413 755 HOH A O 7246 O O . HOH M . ? 0.3502 0.5095 0.6188 -0.2144 0.1623 -0.1254 756 HOH A O 7247 O O . HOH M . ? 0.4223 0.4471 0.4268 -0.2350 -0.1540 0.2184 757 HOH A O 7248 O O . HOH M . ? 0.4152 0.3688 0.2859 -0.0284 -0.0923 0.0518 758 HOH A O 7250 O O . HOH M . ? 0.1282 0.2121 0.1424 -0.0190 0.0103 0.0065 760 HOH A O 7251 O O . HOH M . ? 0.1168 0.1006 0.1809 -0.0001 0.0078 0.0100 761 HOH A O 7252 O O . HOH M . ? 0.2866 0.5957 0.2905 0.1168 -0.0965 -0.0725 762 HOH A O 7253 O O . HOH M . ? 0.1223 0.1125 0.0987 0.0063 0.0001 -0.0057 763 HOH A O 7255 O O . HOH M . ? 0.4137 0.3374 0.3314 -0.0179 0.0391 0.1460 765 HOH A O 7256 O O . HOH M . ? 0.1139 0.0910 0.1936 -0.0116 -0.0045 0.0046 766 HOH A O 7257 O O . HOH M . ? 0.3848 0.4025 0.6104 -0.1283 -0.0786 0.1546 767 HOH A O 7258 O O . HOH M . ? 0.1586 0.1918 0.1293 -0.0232 0.0162 0.0165 768 HOH A O 7259 O O . HOH M . ? 0.1542 0.5128 0.3287 0.0402 0.0060 -0.1419 769 HOH A O 7260 O O . HOH M . ? 0.5197 0.2584 0.3698 0.0227 0.0889 -0.0331 770 HOH A O 7261 O O . HOH M . ? 0.4268 0.2191 0.3212 -0.1066 0.1156 -0.0619 771 HOH A O 7262 O O . HOH M . ? 0.1665 0.1699 0.1354 -0.0302 0.0413 -0.0450 772 HOH A O 7263 O O . HOH M . ? 0.3760 0.4023 0.2468 0.0214 0.0203 0.1148 773 HOH A O 7264 O O . HOH M . ? 0.1181 0.2470 0.3247 -0.0064 0.0207 0.0982 774 HOH A O 7265 O O . HOH M . ? 0.2853 0.3382 0.4111 0.1138 -0.1254 -0.1456 775 HOH A O 7266 O O . HOH M . ? 0.0959 0.1063 0.1227 -0.0148 0.0050 0.0216 776 HOH A O 7267 O O . HOH M . ? 0.1236 0.1808 0.1151 0.0055 0.0029 -0.0016 777 HOH A O 7269 O O . HOH M . ? 0.3835 0.2492 0.4808 -0.0311 -0.1665 0.0069 779 HOH A O 7270 O O . HOH M . ? 0.0858 0.1780 0.1490 0.0019 -0.0157 -0.0152 780 HOH A O 7272 O O . HOH M . ? 0.1062 0.0885 0.0968 -0.0120 0.0132 -0.0012 782 HOH A O 7273 O O . HOH M . ? 0.2846 0.3932 0.3682 -0.0341 -0.0353 -0.0703 783 HOH A O 7274 O O . HOH M . ? 0.1189 0.1883 0.2652 -0.0474 0.0113 -0.0547 784 HOH A O 7275 O O . HOH M . ? 0.2184 0.4750 0.4556 -0.0051 0.0494 0.2269 785 HOH A O 7276 O O . HOH M . ? 0.3005 0.3653 0.2378 -0.0409 0.0195 -0.0681 786 HOH A O 7278 O O . HOH M . ? 0.3226 0.5533 0.2612 -0.1369 0.0503 0.1014 788 HOH A O 7279 O O . HOH M . ? 0.3375 0.2892 0.4742 -0.0113 0.0145 -0.0600 789 HOH A O 7282 O O . HOH M . ? 0.1476 0.2491 0.3265 0.0059 0.0299 -0.0641 792 HOH A O 7283 O O . HOH M . ? 0.1333 0.1626 0.1118 0.0149 0.0102 0.0101 793 HOH A O 7284 O O . HOH M . ? 0.1141 0.1056 0.0843 0.0322 -0.0125 -0.0055 794 HOH A O 7286 O O . HOH M . ? 0.2157 0.2302 0.1889 0.0333 0.0327 -0.0477 796 HOH A O 7288 O O . HOH M . ? 0.3863 0.2505 0.2936 0.0902 0.0091 0.0130 798 HOH A O 7289 O O . HOH M . ? 0.2571 0.4136 0.2861 -0.0125 -0.0791 0.0989 799 HOH A O 7290 O O . HOH M . ? 0.1614 0.2890 0.3115 -0.0289 0.0166 -0.0425 800 HOH A O 7291 O O . HOH M . ? 0.2396 0.3298 0.2834 -0.0038 -0.0674 -0.0544 801 HOH A O 7292 O O . HOH M . ? 0.2083 0.4779 0.3795 -0.0157 -0.0069 -0.1208 802 HOH A O 7293 O O . HOH M . ? 0.5778 0.1904 0.2677 -0.0241 0.1498 0.0390 803 HOH A O 7294 O O . HOH M . ? 0.1104 0.1375 0.1259 -0.0119 0.0151 0.0014 804 HOH A O 7295 O O . HOH M . ? 0.0859 0.1649 0.1573 0.0062 -0.0016 -0.0372 805 HOH A O 7296 O O . HOH M . ? 0.1628 0.6155 0.3285 -0.0717 -0.0345 0.0364 806 HOH A O 7297 O O . HOH M . ? 0.2718 0.6234 0.3500 -0.1595 -0.0261 -0.2199 807 HOH A O 7299 O O . HOH M . ? 0.1864 0.1772 0.1542 -0.0341 0.0029 0.0340 809 HOH A O 7300 O O . HOH M . ? 0.3465 0.3374 0.5545 -0.0257 0.0306 0.2412 810 HOH A O 7301 O O . HOH M . ? 0.1988 0.1698 0.1691 0.0232 0.0184 0.0409 811 HOH A O 7302 O O . HOH M . ? 0.2008 0.3078 0.1534 0.0059 -0.0010 -0.0228 812 HOH A O 7303 O O . HOH M . ? 0.1845 0.3411 0.1309 -0.0737 0.0084 -0.0186 813 HOH A O 7304 O O . HOH M . ? 0.1171 0.4363 0.1149 0.0353 0.0232 -0.0487 814 HOH A O 7305 O O . HOH M . ? 0.2085 0.2591 0.2517 -0.0890 -0.0377 0.0615 815 HOH A O 7306 O O . HOH M . ? 0.2162 0.1441 0.1133 -0.0138 0.0192 -0.0014 816 HOH A O 7307 O O . HOH M . ? 0.3114 0.2146 0.6377 -0.0510 -0.1792 -0.0751 817 HOH A O 7308 O O . HOH M . ? 0.1714 0.2500 0.1263 0.0008 -0.0044 -0.0204 818 HOH A O 7309 O O . HOH M . ? 0.1612 0.1285 0.2420 -0.0105 -0.0001 -0.0375 819 HOH A O 7310 O O . HOH M . ? 0.2394 0.2119 0.1547 -0.0176 0.0203 0.0018 820 HOH A O 7312 O O . HOH M . ? 0.1047 0.1059 0.0942 0.0106 0.0030 0.0040 822 HOH A O 7313 O O . HOH M . ? 0.1250 0.1058 0.1068 -0.0233 0.0249 -0.0197 823 HOH A O 7314 O O . HOH M . ? 0.2631 0.2641 0.3277 -0.0256 0.0461 0.0716 824 HOH A O 7315 O O . HOH M . ? 0.7412 0.3048 0.1629 -0.1339 -0.0908 0.0491 825 HOH A O 7316 O O . HOH M . ? 0.1071 0.1525 0.2358 -0.0046 -0.0460 0.0545 826 HOH A O 7317 O O . HOH M . ? 0.2649 0.2215 0.1250 0.0135 -0.0196 0.0271 827 HOH A O 7318 O O . HOH M . ? 0.3337 0.1603 0.1723 -0.0390 0.0559 -0.0009 828 HOH A O 7319 O O . HOH M . ? 0.2472 0.1698 0.3802 -0.0787 0.2152 -0.1104 829 HOH A O 7320 O O . HOH M . ? 0.1307 0.2108 0.2297 -0.0114 0.0026 0.0212 830 HOH A O 7321 O O . HOH M . ? 0.1866 0.2688 0.2594 -0.0753 0.0300 -0.0403 831 HOH A O 7322 O O . HOH M . ? 0.2955 0.4639 0.2882 -0.1378 0.1643 -0.1099 832 HOH A O 7323 O O . HOH M . ? 0.3547 0.4427 0.3486 -0.1141 -0.0977 0.1401 833 HOH A O 7324 O O . HOH M . ? 0.2925 0.2845 0.2692 0.0237 -0.0439 -0.1153 834 HOH A O 7325 O O . HOH M . ? 0.2303 0.6292 0.3321 -0.0872 -0.0441 -0.0356 835 HOH A O 7326 O O . HOH M . ? 0.1621 0.2160 0.1419 -0.0059 0.0031 0.0102 836 HOH A O 7327 O O . HOH M . ? 0.3602 0.3688 0.4277 -0.0828 -0.0431 -0.1091 837 HOH A O 7328 O O . HOH M . ? 0.4069 0.2522 0.3633 -0.0496 -0.0769 0.0436 838 HOH A O 7329 O O . HOH M . ? 0.1535 0.1836 0.1728 -0.0136 0.0324 0.0265 839 HOH A O 7332 O O . HOH M . ? 0.1433 0.1876 0.1121 0.0251 -0.0108 -0.0054 842 HOH A O 7333 O O . HOH M . ? 0.1364 0.2338 0.1528 0.0359 -0.0136 -0.0272 843 HOH A O 7334 O O . HOH M . ? 0.0968 0.1304 0.1452 -0.0012 0.0069 -0.0099 844 HOH A O 7335 O O . HOH M . ? 0.3788 0.1416 0.4694 -0.0115 -0.1792 0.0026 845 HOH A O 7336 O O . HOH M . ? 0.1391 0.1740 0.1632 0.0101 0.0149 0.0194 846 HOH A O 7337 O O . HOH M . ? 0.1763 0.2834 0.3213 -0.0938 -0.0140 -0.0088 847 HOH A O 7338 O O . HOH M . ? 0.1691 0.2015 0.1948 -0.0441 0.0133 0.0311 848 HOH A O 7339 O O . HOH M . ? 0.1423 0.1717 0.1480 -0.0019 0.0121 0.0003 849 HOH A O 7340 O O . HOH M . ? 0.0783 0.1214 0.1107 0.0040 0.0029 0.0120 850 HOH A O 7341 O O . HOH M . ? 0.1406 0.1397 0.1427 -0.0467 0.0049 -0.0197 851 HOH A O 7343 O O . HOH M . ? 0.3978 0.3399 0.5893 -0.0967 0.1646 0.0331 853 HOH A O 7346 O O . HOH M . ? 0.2415 0.2889 0.3346 0.0020 0.0715 0.0744 856 HOH A O 7347 O O . HOH M . ? 0.2338 0.5227 0.5098 -0.1359 0.0502 -0.2602 857 HOH A O 7348 O O . HOH M . ? 0.1785 0.1517 0.1354 0.0494 0.0197 0.0242 858 HOH A O 7349 O O . HOH M . ? 0.1083 0.1428 0.1128 0.0097 -0.0093 -0.0160 859 HOH A O 7350 O O . HOH M . ? 0.1189 0.1798 0.1718 0.0227 -0.0186 -0.0283 860 HOH A O 7351 O O . HOH M . ? 0.1527 0.4983 0.2361 0.0689 0.0015 -0.0525 861 HOH A O 7352 O O . HOH M . ? 0.2889 0.2604 0.2582 0.0504 0.0325 0.0330 862 HOH A O 7353 O O . HOH M . ? 0.2386 0.2367 0.3167 0.0832 -0.0661 0.0477 863 HOH A O 7354 O O . HOH M . ? 0.5851 0.3771 0.4691 0.1289 -0.0306 -0.2062 864 HOH A O 7355 O O . HOH M . ? 0.2791 0.1983 0.4545 -0.0122 0.0185 -0.0982 865 HOH A O 7356 O O . HOH M . ? 0.0942 0.1222 0.0876 0.0025 0.0040 0.0082 866 HOH A O 7357 O O . HOH M . ? 0.2457 0.2676 0.1956 -0.0539 -0.0612 0.0243 867 HOH A O 7358 O O . HOH M . ? 0.1781 0.3082 0.1886 -0.0633 0.0343 0.0022 868 HOH A O 7359 O O . HOH M . ? 0.1766 0.1536 0.1562 0.0283 0.0158 0.0000 869 HOH A O 7360 O O . HOH M . ? 0.1635 0.2507 0.2059 -0.0673 0.0349 -0.0675 870 HOH A O 7361 O O . HOH M . ? 0.0977 0.1457 0.1540 0.0156 -0.0035 0.0041 871 HOH A O 7362 O O . HOH M . ? 0.1318 0.1284 0.1061 -0.0251 0.0136 -0.0112 872 HOH A O 7363 O O . HOH M . ? 0.2400 0.2153 0.4562 0.0134 -0.1706 -0.0434 873 HOH A O 7364 O O . HOH M . ? 0.5409 0.2431 0.1813 -0.0522 0.0361 0.0213 874 HOH A O 7365 O O . HOH M . ? 0.1040 0.1277 0.1292 0.0178 0.0095 -0.0069 875 HOH A O 7366 O O . HOH M . ? 0.2110 0.2207 0.3450 -0.0032 0.0793 0.0337 876 HOH A O 7367 O O . HOH M . ? 0.5268 0.2778 0.2452 -0.0606 0.0245 0.0317 877 HOH A O 7370 O O . HOH M . ? 0.1568 0.1812 0.1515 -0.0323 0.0134 0.0497 880 HOH A O 7371 O O . HOH M . ? 0.1569 0.1533 0.1406 -0.0055 -0.0031 0.0275 881 HOH A O 7372 O O . HOH M . ? 0.1094 0.1218 0.1696 -0.0015 -0.0040 0.0115 882 HOH A O 7373 O O . HOH M . ? 0.3911 0.3641 0.2518 0.0717 0.0341 -0.0065 883 HOH A O 7374 O O . HOH M . ? 0.1252 0.1063 0.2228 -0.0059 -0.0003 -0.0040 884 HOH A O 7375 O O . HOH M . ? 0.2772 0.4497 0.5417 0.1276 -0.1770 -0.1464 885 HOH A O 7376 O O . HOH M . ? 0.1507 0.1748 0.1339 0.0656 -0.0009 0.0201 886 HOH A O 7377 O O . HOH M . ? 0.1591 0.1773 0.1504 0.0096 0.0071 0.0049 887 HOH A O 7378 O O . HOH M . ? 0.9014 0.3602 0.2897 -0.0528 0.0394 -0.0695 888 HOH A O 7379 O O . HOH M . ? 0.1473 0.2550 0.2229 0.0349 0.0069 0.0091 889 HOH A O 7380 O O . HOH M . ? 0.2487 0.3287 0.2521 -0.0802 0.0260 0.0697 890 HOH A O 7381 O O . HOH M . ? 0.2834 0.2513 0.2292 0.1332 -0.0469 -0.0123 891 HOH A O 7383 O O . HOH M . ? 0.1624 0.1488 0.1243 0.0194 -0.0063 -0.0116 893 HOH A O 7384 O O . HOH M . ? 0.3966 0.4171 0.3315 0.0233 0.1868 -0.0839 894 HOH A O 7385 O O . HOH M . ? 0.2902 0.3775 0.1926 -0.1310 0.0197 -0.0343 895 HOH A O 7386 O O . HOH M . ? 0.3532 0.2580 0.4691 -0.0291 0.0079 0.0375 896 HOH A O 7387 O O . HOH M . ? 0.1526 0.2166 0.1567 -0.0438 0.0108 -0.0056 897 HOH A O 7388 O O . HOH M . ? 0.1518 0.2032 0.2435 -0.0153 0.0136 -0.0157 898 HOH A O 7389 O O . HOH M . ? 0.1037 0.0934 0.1197 0.0014 -0.0035 -0.0081 899 HOH A O 7391 O O . HOH M . ? 0.7380 0.2911 0.3948 -0.1212 0.2846 -0.0709 901 HOH A O 7392 O O . HOH M . ? 0.1242 0.1922 0.1168 -0.0057 0.0073 0.0002 902 HOH A O 7393 O O . HOH M . ? 0.1711 0.3260 0.3386 0.0240 0.0167 0.0828 903 HOH A O 7394 O O . HOH M . ? 0.2230 0.2419 0.3790 -0.0152 0.0839 -0.0529 904 HOH A O 7396 O O . HOH M . ? 0.7070 0.3551 0.2369 0.1397 -0.1376 -0.0671 906 HOH A O 7397 O O . HOH M . ? 0.1230 0.1425 0.1595 -0.0291 0.0205 -0.0072 907 HOH A O 7398 O O . HOH M . ? 0.1105 0.1280 0.1655 0.0043 -0.0015 0.0051 908 HOH A O 7399 O O . HOH M . ? 0.2106 0.2326 0.3044 0.0112 -0.0571 -0.0159 909 HOH A O 7400 O O . HOH M . ? 0.1062 0.0928 0.1117 0.0091 0.0053 -0.0021 910 HOH A O 7402 O O . HOH M . ? 0.2728 0.2051 0.1700 0.0268 -0.0078 -0.0646 912 HOH A O 7403 O O . HOH M . ? 0.3310 0.3048 0.1902 0.0697 0.0449 0.0292 913 HOH A O 7404 O O . HOH M . ? 0.3880 0.1985 0.1340 -0.1215 0.0350 0.0098 914 HOH A O 7405 O O . HOH M . ? 0.1406 0.1657 0.1215 0.0047 0.0329 0.0009 915 HOH A O 7406 O O . HOH M . ? 0.3410 0.3560 0.2409 0.1288 -0.0549 -0.0302 916 HOH A O 7407 O O . HOH M . ? 0.1710 0.2007 0.5867 -0.0550 -0.0022 0.1207 917 HOH A O 7408 O O . HOH M . ? 0.2649 0.4873 0.5300 -0.0505 -0.0344 -0.2610 918 HOH A O 7409 O O . HOH M . ? 0.2558 0.2258 0.2830 0.0467 0.0192 -0.0818 919 HOH A O 7410 O O . HOH M . ? 0.1129 0.1268 0.1220 0.0139 0.0008 -0.0307 920 HOH A O 7411 O O . HOH M . ? 0.2151 0.3249 0.2524 0.1001 -0.0772 -0.0767 921 HOH A O 7412 O O . HOH M . ? 0.1192 0.1369 0.1141 0.0061 0.0000 0.0025 922 HOH A O 7413 O O . HOH M . ? 0.5703 0.5357 0.7952 -0.3577 0.1201 -0.3209 923 HOH A O 7414 O O . HOH M . ? 0.2077 0.3493 0.2730 0.0431 0.0196 0.0514 924 HOH A O 7415 O O . HOH M . ? 0.0924 0.1843 0.2018 -0.0137 -0.0051 0.0170 925 HOH A O 7416 O O . HOH M . ? 0.5206 0.4364 0.6124 0.0814 -0.1907 0.2189 926 HOH A O 7417 O O . HOH M . ? 0.1656 0.2270 0.2744 -0.0663 -0.0527 0.0260 927 HOH A O 7418 O O . HOH M . ? 0.1504 0.2986 0.2477 -0.0218 -0.0069 -0.0975 928 HOH A O 7419 O O . HOH M . ? 0.3641 0.4573 0.3141 0.1478 -0.0843 -0.0319 929 HOH A O 7420 O O . HOH M . ? 0.1902 0.2501 0.2141 0.0048 0.0156 -0.0018 930 HOH A O 7421 O O . HOH M . ? 0.2480 0.1969 0.6006 0.0928 -0.2110 -0.1023 931 HOH A O 7422 O O . HOH M . ? 0.1557 0.1767 0.1435 -0.0274 -0.0231 0.0092 932 HOH A O 7423 O O . HOH M . ? 0.5395 0.3108 0.4870 0.0326 0.1881 -0.1149 933 HOH A O 7425 O O . HOH M . ? 0.4035 0.2635 0.4410 -0.0035 0.1563 -0.0721 935 HOH A O 7426 O O . HOH M . ? 0.1513 0.1698 0.1210 -0.0069 0.0093 -0.0205 936 HOH A O 7427 O O . HOH M . ? 0.2073 0.2342 0.3478 -0.0067 0.0180 -0.0221 937 HOH A O 7428 O O . HOH M . ? 0.3081 0.1624 0.2226 0.0011 0.0095 -0.0451 938 HOH A O 7429 O O . HOH M . ? 0.3433 0.1694 0.4755 -0.0044 0.1637 0.0181 939 HOH A O 7430 O O . HOH M . ? 0.0882 0.0923 0.1196 -0.0102 -0.0061 0.0126 940 HOH A O 7431 O O . HOH M . ? 0.2728 0.3365 0.3365 -0.0684 0.0393 0.1240 941 HOH A O 7432 O O . HOH M . ? 0.2759 0.2130 0.0999 -0.0777 0.0400 0.0008 942 HOH A O 7433 O O . HOH M . ? 0.1741 0.3442 0.5813 -0.0814 0.0797 -0.0777 943 HOH A O 7434 O O . HOH M . ? 0.3919 0.2384 0.2121 -0.1433 0.0153 0.0249 944 HOH A O 7435 O O . HOH M . ? 0.0730 0.1582 0.2064 -0.0138 -0.0077 -0.0178 945 HOH A O 7436 O O . HOH M . ? 0.0668 0.1399 0.1227 -0.0222 0.0104 0.0012 946 HOH A O 7438 O O . HOH M . ? 0.2224 0.1727 0.2625 0.0193 0.0596 0.0484 948 HOH A O 7439 O O . HOH M . ? 0.3346 0.6030 0.2365 -0.1756 0.0133 0.0858 949 HOH A O 7440 O O . HOH M . ? 0.1263 0.1144 0.1317 0.0178 0.0104 -0.0062 950 HOH A O 7441 O O . HOH M . ? 0.3307 0.2535 0.5449 0.0487 -0.1211 -0.2101 951 HOH A O 7442 O O . HOH M . ? 0.2070 0.1721 0.2698 0.0202 -0.0575 -0.0152 952 HOH A O 7443 O O . HOH M . ? 0.1536 0.3722 0.3000 -0.0184 -0.0066 -0.1153 953 HOH A O 7445 O O . HOH M . ? 0.1013 0.1593 0.1941 -0.0224 0.0063 0.0000 955 HOH A O 7446 O O . HOH M . ? 0.2935 0.3238 0.3085 -0.1639 -0.0685 0.1447 956 HOH A O 7447 O O . HOH M . ? 0.4008 0.2429 0.2263 0.0376 0.0195 -0.0190 957 HOH A O 7448 O O . HOH M . ? 0.3467 0.2363 0.7253 0.0630 0.1859 0.1093 958 HOH A O 7449 O O . HOH M . ? 0.1882 0.2553 0.2659 0.0636 -0.0439 -0.0356 959 HOH A O 7450 O O . HOH M . ? 0.2426 0.4940 0.2126 0.1246 0.0361 -0.1142 960 HOH A O 7451 O O . HOH M . ? 0.1369 0.1539 0.2293 -0.0420 0.0111 -0.0115 961 HOH A O 7452 O O . HOH M . ? 0.2140 0.5298 0.3121 0.0173 -0.0046 -0.0354 962 HOH A O 7453 O O . HOH M . ? 0.3829 0.2173 0.3546 -0.0812 0.0919 -0.0103 963 HOH A O 7454 O O . HOH M . ? 0.1442 0.3031 0.1243 0.0200 0.0032 -0.0325 964 HOH A O 7455 O O . HOH M . ? 0.3786 0.2508 0.3075 -0.0215 0.0186 -0.1163 965 HOH A O 7456 O O . HOH M . ? 0.1052 0.1008 0.1106 -0.0034 -0.0001 0.0112 966 HOH A O 7457 O O . HOH M . ? 0.2042 0.2488 0.1291 -0.0398 0.0010 0.0166 967 HOH A O 7458 O O . HOH M . ? 0.3950 0.2618 0.1736 0.0744 -0.0170 -0.0340 968 HOH A O 7459 O O . HOH M . ? 0.2767 0.1912 0.3043 -0.0562 -0.1117 0.0666 969 HOH A O 7460 O O . HOH M . ? 0.3442 0.3528 0.2534 -0.1097 0.0828 0.0767 970 HOH A O 7461 O O . HOH M . ? 0.1659 0.2096 0.3159 0.0107 -0.0083 -0.0343 971 HOH A O 7462 O O . HOH M . ? 0.0700 0.1745 0.2507 0.0100 -0.0048 0.0281 972 HOH A O 7463 O O . HOH M . ? 0.0950 0.1334 0.1869 0.0021 0.0099 0.0200 973 HOH A O 7464 O O . HOH M . ? 0.1029 0.1866 0.2159 0.0097 0.0055 -0.0363 974 HOH A O 7465 O O . HOH M . ? 0.1407 0.2299 0.2747 0.0057 -0.0036 0.0032 975 HOH A O 7466 O O . HOH M . ? 0.4252 0.2257 0.2516 -0.1433 0.0720 -0.0763 976 HOH A O 7467 O O . HOH M . ? 0.4891 0.3533 0.5866 -0.1527 -0.1476 0.1280 977 HOH A O 7470 O O . HOH M . ? 0.3732 0.2234 0.2151 -0.0486 -0.0556 0.0267 980 HOH A O 7471 O O . HOH M . ? 0.3162 0.2354 0.3382 0.0972 0.0021 0.0405 981 HOH A O 7472 O O . HOH M . ? 0.1025 0.1054 0.1662 0.0132 -0.0120 -0.0031 982 HOH A O 7473 O O . HOH M . ? 0.4110 0.4204 0.5709 -0.1638 0.2080 -0.1415 983 HOH A O 7475 O O . HOH M . ? 0.2040 0.2493 0.2002 -0.0911 -0.0593 0.0299 985 HOH A O 7476 O O . HOH M . ? 0.2399 0.3749 0.5967 -0.0327 0.1299 0.0603 986 HOH A O 7478 O O . HOH M . ? 0.1068 0.1393 0.1024 -0.0358 0.0083 -0.0127 988 HOH A O 7479 O O . HOH M . ? 0.2835 0.3281 0.2139 -0.0338 0.0082 0.0258 989 HOH A O 7480 O O . HOH M . ? 0.1301 0.2737 0.1540 -0.0214 -0.0387 -0.0195 990 HOH A O 7481 O O . HOH M . ? 0.1286 0.1295 0.1861 0.0068 0.0086 -0.0488 991 HOH A O 7482 O O . HOH M . ? 0.1989 0.1925 0.3122 -0.0127 0.1110 -0.0638 992 HOH A O 7483 O O . HOH M . ? 0.1986 0.2561 0.1163 0.1070 0.0248 0.0118 993 HOH A O 7485 O O . HOH M . ? 0.1016 0.1386 0.0917 -0.0081 0.0062 0.0115 995 HOH A O 7486 O O . HOH M . ? 0.1036 0.1524 0.1030 -0.0133 -0.0139 0.0215 996 HOH A O 7487 O O . HOH M . ? 0.2033 0.3469 0.2656 0.1242 -0.0379 -0.0437 997 HOH A O 7488 O O . HOH M . ? 0.2277 0.1839 0.1979 -0.0303 0.0313 -0.0338 998 HOH A O 7489 O O . HOH M . ? 0.2667 0.3871 0.7561 0.0932 -0.0113 0.1670 999 HOH A O 7490 O O . HOH M . ? 0.1488 0.1660 0.1117 0.0213 -0.0231 -0.0123 1000 HOH A O 7492 O O . HOH M . ? 0.3622 0.2669 0.2010 -0.0901 0.0514 -0.0910 1002 HOH A O 7493 O O . HOH M . ? 0.2015 0.2461 0.1466 0.0574 0.0073 -0.0212 1003 HOH A O 7494 O O . HOH M . ? 0.3195 0.3810 0.2617 -0.0424 -0.0830 0.0310 1004 HOH A O 7496 O O . HOH M . ? 0.1331 0.1568 0.1460 -0.0164 0.0244 0.0003 1006 HOH A O 7497 O O . HOH M . ? 0.3942 0.2056 0.2558 0.0064 0.0305 0.0927 1007 HOH A O 7498 O O . HOH M . ? 0.2796 0.2702 0.2107 -0.0654 0.0005 0.0259 1008 HOH A O 7499 O O . HOH M . ? 0.1278 0.1340 0.1235 -0.0299 0.0122 0.0103 1009 HOH A O 7500 O O . HOH M . ? 0.1958 0.5655 0.4274 -0.0012 0.0325 -0.0891 1010 HOH A O 7501 O O . HOH M . ? 0.2137 0.2596 0.4130 -0.0761 0.0938 -0.1264 1011 HOH A O 7502 O O . HOH M . ? 0.1924 0.1716 0.1355 -0.0400 0.0338 -0.0431 1012 HOH A O 7503 O O . HOH M . ? 0.1996 0.1446 0.3871 0.0335 0.0111 0.0154 1013 HOH A O 7504 O O . HOH M . ? 0.1593 0.3685 0.2815 0.0129 -0.0194 0.0182 1014 HOH A O 7505 O O . HOH M . ? 0.2739 0.2212 0.1883 0.0427 -0.0171 0.0500 1015 HOH A O 7506 O O . HOH M . ? 0.2090 0.3253 0.3022 -0.0244 0.0421 -0.0946 1016 HOH A O 7507 O O . HOH M . ? 0.1687 0.1731 0.1061 0.0048 0.0391 0.0064 1017 HOH A O 7508 O O . HOH M . ? 0.1123 0.1646 0.1845 0.0116 0.0014 0.0139 1018 HOH A O 7509 O O . HOH M . ? 0.4386 0.2029 0.3796 -0.1656 0.0113 0.0859 1019 HOH A O 7510 O O . HOH M . ? 0.5565 0.6664 0.2966 0.2032 0.0641 0.0485 1020 HOH A O 7511 O O . HOH M . ? 0.2541 0.5657 0.5371 0.0442 -0.1257 -0.1699 1021 HOH A O 7512 O O . HOH M . ? 0.4185 0.2536 0.4247 0.1065 0.0327 0.1484 1022 HOH A O 7513 O O . HOH M . ? 0.1923 0.3477 0.3139 -0.0518 0.0425 -0.0135 1023 HOH A O 7514 O O . HOH M . ? 0.2405 0.1887 0.2897 0.0653 0.0424 0.0312 1024 HOH A O 7515 O O . HOH M . ? 0.0703 0.1103 0.1608 0.0121 -0.0079 -0.0078 1025 HOH A O 7516 O O . HOH M . ? 0.2637 0.2727 0.3418 0.0041 0.0489 0.0040 1026 HOH A O 7518 O O . HOH M . ? 0.1730 0.1969 0.1111 0.0151 0.0220 0.0101 1028 HOH A O 7519 O O . HOH M . ? 0.3006 0.2106 0.1778 0.0029 -0.0934 0.0045 1029 HOH A O 7520 O O . HOH M . ? 0.3216 0.2307 0.2593 0.0882 0.0349 0.0104 1030 HOH A O 7521 O O . HOH M . ? 0.0867 0.0890 0.1076 -0.0070 -0.0029 -0.0038 1031 HOH A O 7522 O O . HOH M . ? 0.1456 0.1898 0.4129 -0.0351 -0.0434 0.0015 1032 HOH A O 7523 O O . HOH M . ? 0.1887 0.2905 0.2685 -0.0818 -0.0399 -0.0797 1033 HOH A O 7524 O O . HOH M . ? 0.0872 0.2257 0.2838 -0.0175 0.0200 -0.0455 1034 HOH A O 7525 O O . HOH M . ? 0.1436 0.1391 0.1217 0.0061 0.0161 0.0127 1035 HOH A O 7526 O O . HOH M . ? 0.1784 0.2671 0.2894 0.0139 -0.0009 -0.0601 1036 HOH A O 7527 O O . HOH M . ? 0.1861 0.1587 0.1514 0.0079 0.0286 0.0181 1037 HOH A O 7529 O O . HOH M . ? 0.3332 0.2056 0.2359 0.0733 -0.0626 -0.0294 1039 HOH A O 7530 O O . HOH M . ? 0.4579 0.2247 0.1601 -0.0339 0.0117 0.0162 1040 HOH A O 7531 O O . HOH M . ? 0.3559 0.3230 0.2657 -0.2068 0.0852 -0.0209 1041 HOH A O 7532 O O . HOH M . ? 0.1611 0.4654 0.5071 -0.0279 -0.0366 -0.0338 1042 HOH A O 7533 O O . HOH M . ? 0.1811 0.3713 0.5085 -0.0111 0.0521 0.0570 1043 HOH A O 7534 O O . HOH M . ? 0.3205 0.4130 0.2386 -0.1202 -0.0327 0.0398 1044 HOH A O 7535 O O . HOH M . ? 0.3039 0.3096 0.3448 0.0315 -0.0525 0.1354 1045 HOH A O 7536 O O . HOH M . ? 0.1503 0.2490 0.2690 -0.0422 -0.0257 0.0043 1046 HOH A O 7537 O O . HOH M . ? 0.1300 0.1575 0.1639 0.0108 0.0093 -0.0186 1047 HOH A O 7538 O O . HOH M . ? 0.4330 0.3775 0.3499 0.0332 0.0681 -0.1444 1048 HOH A O 7540 O O . HOH M . ? 0.1143 0.1339 0.1640 0.0038 -0.0143 -0.0318 1050 HOH A O 7541 O O . HOH M . ? 0.1067 0.2851 0.1648 0.0103 -0.0041 -0.1023 1051 HOH A O 7542 O O . HOH M . ? 0.1050 0.1115 0.1761 -0.0211 -0.0021 -0.0085 1052 HOH A O 7543 O O . HOH M . ? 0.1637 0.2379 0.3588 -0.0020 -0.0060 -0.0317 1053 HOH A O 7544 O O . HOH M . ? 0.6087 0.3979 0.3466 -0.1999 0.0632 0.0628 1054 HOH A O 7545 O O . HOH M . ? 0.2583 0.2442 0.2516 -0.0799 0.0390 -0.0062 1055 HOH A O 7546 O O . HOH M . ? 0.1662 0.2920 0.2262 -0.0929 -0.0082 -0.0454 1056 HOH A O 7547 O O . HOH M . ? 0.3298 0.2740 0.3669 -0.0414 0.0267 0.0439 1057 HOH A O 7548 O O . HOH M . ? 0.1741 0.2334 0.2135 0.0231 -0.0035 -0.0247 1058 HOH A O 7549 O O . HOH M . ? 0.2309 0.3118 0.6416 -0.0181 -0.0248 0.0815 1059 HOH A O 7551 O O . HOH M . ? 0.2440 0.3734 0.2596 0.0092 0.0446 -0.0186 1061 HOH A O 7552 O O . HOH M . ? 0.1402 0.2737 0.5282 0.0149 -0.0196 0.1228 1062 HOH A O 7553 O O . HOH M . ? 0.1982 0.3684 0.3009 0.0050 0.0015 -0.0373 1063 HOH A O 7554 O O . HOH M . ? 0.3325 0.5196 0.2802 -0.1425 -0.0594 -0.0663 1064 HOH A O 7556 O O . HOH M . ? 0.2246 0.2473 0.1726 -0.0319 0.0352 -0.0088 1066 HOH A O 7558 O O . HOH M . ? 0.2951 0.1864 0.2829 0.0206 0.0828 0.0242 1068 HOH A O 7559 O O . HOH M . ? 0.1596 0.1071 0.3470 0.0100 0.0881 -0.0452 1069 HOH A O 7561 O O . HOH M . ? 0.3384 0.5133 0.2934 -0.2333 0.0720 -0.1726 1071 HOH A O 7562 O O . HOH M . ? 0.2484 0.4563 0.2979 0.0526 0.0137 -0.0867 1072 HOH A O 7563 O O . HOH M . ? 0.1052 0.2355 0.2402 0.0234 0.0052 -0.0010 1073 HOH A O 7564 O O . HOH M . ? 0.5169 0.2735 0.4271 0.1476 -0.2180 -0.1301 1074 HOH A O 7565 O O . HOH M . ? 0.1445 0.1317 0.1110 0.0357 0.0083 0.0193 1075 HOH A O 7566 O O . HOH M . ? 0.1805 0.3277 0.4291 -0.1112 -0.0980 0.1827 1076 HOH A O 7568 O O . HOH M . ? 0.2284 0.2267 0.7562 -0.0883 -0.0789 0.0807 1078 HOH A O 7569 O O . HOH M . ? 0.0959 0.0920 0.0980 0.0038 0.0063 -0.0020 1079 HOH A O 7570 O O . HOH M . ? 0.2783 0.2097 0.2281 -0.0925 0.0338 0.0026 1080 HOH A O 7571 O O . HOH M . ? 0.5024 0.3681 0.3557 -0.0034 -0.0677 -0.2360 1081 HOH A O 7572 O O . HOH M . ? 0.4770 0.3933 0.3776 -0.0782 0.0330 0.0607 1082 HOH A O 7573 O O . HOH M . ? 0.2657 0.2542 0.2752 -0.0102 -0.0589 -0.0389 1083 HOH A O 7574 O O . HOH M . ? 0.1104 0.3153 0.6677 0.0196 0.0741 -0.2291 1084 HOH A O 7575 O O . HOH M . ? 0.2291 0.2159 0.1550 -0.0273 -0.0038 0.0480 1085 HOH A O 7576 O O . HOH M . ? 0.0954 0.2835 0.5669 -0.0068 -0.0266 -0.0824 1086 HOH A O 7577 O O . HOH M . ? 0.1589 0.1771 0.1627 0.0289 0.0217 0.0000 1087 HOH A O 7578 O O . HOH M . ? 0.3284 0.3174 0.3533 0.0183 -0.0860 -0.1919 1088 HOH A O 7579 O O . HOH M . ? 0.2620 0.3848 0.1775 -0.1414 0.0579 -0.0843 1089 HOH A O 7581 O O . HOH M . ? 0.3548 0.2452 0.1270 0.0166 -0.0356 -0.0111 1091 HOH A O 7582 O O . HOH M . ? 0.3125 0.1820 0.4577 0.0302 0.0458 0.0298 1092 HOH A O 7583 O O . HOH M . ? 0.3775 0.2344 0.3257 0.1518 -0.0893 -0.0992 1093 HOH A O 7584 O O . HOH M . ? 0.2901 0.2394 0.2159 -0.0040 -0.0476 0.0400 1094 HOH A O 7585 O O . HOH M . ? 0.0953 0.1205 0.1009 -0.0140 0.0035 -0.0145 1095 HOH A O 7586 O O . HOH M . ? 0.1430 0.1463 0.1432 0.0047 0.0271 -0.0037 1096 HOH A O 7587 O O . HOH M . ? 0.5459 0.3077 0.2824 -0.1115 0.0536 -0.0411 1097 HOH A O 7590 O O . HOH M . ? 0.1540 0.1240 0.1262 -0.0290 0.0159 -0.0074 1100 HOH A O 7591 O O . HOH M . ? 0.3224 0.2969 0.2129 -0.0299 -0.0386 0.0368 1101 HOH A O 7592 O O . HOH M . ? 0.1539 0.3604 0.3882 -0.0201 -0.0941 0.1712 1102 HOH A O 7593 O O . HOH M . ? 0.2029 0.2856 0.1966 -0.0765 0.1016 -0.0652 1103 HOH A O 7595 O O . HOH M . ? 0.1081 0.1342 0.2514 -0.0099 -0.0371 0.0171 1105 HOH A O 7596 O O . HOH M . ? 0.2796 0.3479 0.1314 -0.0554 -0.0382 0.0417 1106 HOH A O 7597 O O . HOH M . ? 0.1901 0.2041 0.1487 0.0178 0.0025 0.0264 1107 HOH A O 7598 O O . HOH M . ? 0.2144 0.3235 0.1672 -0.0450 0.0234 0.0206 1108 HOH A O 7599 O O . HOH M . ? 0.0884 0.1242 0.1422 0.0058 -0.0252 0.0124 1109 HOH A O 7601 O O . HOH M . ? 0.1618 0.1960 0.2118 -0.0658 0.0754 -0.0424 1111 HOH A O 7602 O O . HOH M . ? 0.1031 0.2758 0.1521 0.0062 0.0024 -0.0308 1112 HOH A O 7603 O O . HOH M . ? 0.3286 0.6227 0.2359 -0.0133 -0.1031 -0.1435 1113 HOH A O 7604 O O . HOH M . ? 0.2065 0.2131 0.4315 -0.0724 -0.0120 -0.0594 1114 HOH A O 7605 O O . HOH M . ? 0.1627 0.1542 0.2007 -0.0127 0.0218 0.0033 1115 HOH A O 7606 O O . HOH M . ? 0.2354 0.3188 0.2125 -0.1000 0.0072 0.0043 1116 HOH A O 7607 O O . HOH M . ? 0.1926 0.3419 0.2379 0.0702 -0.0383 0.0144 1117 HOH A O 7608 O O . HOH M . ? 0.1803 0.2100 0.2388 -0.0230 -0.0475 0.0236 1118 HOH A O 7609 O O . HOH M . ? 0.3103 0.1422 0.3894 0.0217 -0.1182 -0.0322 1119 HOH A O 7610 O O . HOH M . ? 0.2556 0.6203 0.3589 0.1506 -0.0246 -0.1922 1120 HOH A O 7611 O O . HOH M . ? 0.1959 0.1862 0.3783 -0.0364 0.0090 0.1124 1121 HOH A O 7613 O O . HOH M . ? 0.2470 0.2824 0.2466 0.0156 0.0824 0.0527 1123 HOH A O 7614 O O . HOH M . ? 0.4540 0.1732 0.4875 0.0797 0.1258 -0.0432 1124 HOH A O 7615 O O . HOH M . ? 0.1622 0.2464 0.1921 -0.1248 -0.0908 0.0810 1125 HOH A O 7616 O O . HOH M . ? 0.4130 0.2713 0.2525 -0.0797 0.0855 -0.1439 1126 HOH A O 7618 O O . HOH M . ? 0.1228 0.3133 0.2933 -0.0266 0.0486 0.0633 1128 HOH A O 7619 O O . HOH M . ? 0.3644 0.3409 0.3308 0.0797 -0.0874 -0.0288 1129 HOH A O 7621 O O . HOH M . ? 0.1698 0.3101 0.5110 -0.0395 -0.0031 -0.1219 1131 HOH A O 7622 O O . HOH M . ? 0.1642 0.2132 0.2165 0.0932 -0.0252 0.0081 1132 HOH A O 7623 O O . HOH M . ? 0.3255 0.1783 0.1514 -0.0649 -0.0709 -0.0035 1133 HOH A O 7624 O O . HOH M . ? 0.1827 0.1460 0.2533 -0.0270 0.0736 -0.0350 1134 HOH A O 7625 O O . HOH M . ? 0.2637 0.3419 0.6062 0.0352 0.0190 0.0611 1135 HOH A O 7626 O O . HOH M . ? 0.1676 0.4941 0.3981 0.1015 0.0050 0.2574 1136 HOH A O 7627 O O . HOH M . ? 0.1571 0.1428 0.1724 -0.0318 0.0299 0.0204 1137 HOH A O 7629 O O . HOH M . ? 0.1895 0.2693 0.3111 0.0952 -0.0262 0.0308 1139 HOH A O 7631 O O . HOH M . ? 0.2698 0.1709 0.4674 -0.0768 0.0471 -0.0773 1141 HOH A O 7632 O O . HOH M . ? 0.2403 0.3089 0.1611 0.0455 0.0490 -0.0144 1142 HOH A O 7633 O O . HOH M . ? 0.3257 0.3021 0.2480 0.0625 -0.0076 0.0836 1143 HOH A O 7634 O O . HOH M . ? 0.2198 0.2732 0.1744 0.0193 0.0056 -0.0353 1144 HOH A O 7635 O O . HOH M . ? 0.1880 0.2252 0.2290 -0.0190 -0.0141 -0.0271 1145 HOH A O 7636 O O . HOH M . ? 0.0862 0.1168 0.1585 0.0128 0.0094 0.0177 1146 HOH A O 7637 O O . HOH M . ? 0.1816 0.2123 0.1090 -0.0229 -0.0033 -0.0175 1147 HOH A O 7638 O O . HOH M . ? 0.3820 0.2390 0.4044 0.0584 0.0566 -0.0132 1148 HOH A O 7639 O O . HOH M . ? 0.2725 0.4162 0.3130 0.1401 0.0704 0.0440 1149 HOH A O 7640 O O . HOH M . ? 0.1711 0.2186 0.2368 0.0214 -0.0238 0.0031 1150 HOH A O 7642 O O . HOH M . ? 0.2281 0.3917 0.2340 0.0357 -0.0802 0.0683 1152 HOH A O 7643 O O . HOH M . ? 0.3429 0.7697 0.4536 -0.2276 -0.1998 0.2466 1153 HOH A O 7644 O O . HOH M . ? 0.3231 0.3269 0.2272 -0.0494 0.0304 -0.1379 1154 HOH A O 7645 O O . HOH M . ? 0.2993 0.1490 0.2049 -0.0230 -0.0606 0.0591 1155 HOH A O 7646 O O . HOH M . ? 0.2943 0.2264 0.4123 -0.1414 0.0354 0.0078 1156 HOH A O 7647 O O . HOH M . ? 0.2757 0.1454 0.4020 0.0946 -0.1678 -0.0912 1157 HOH A O 7648 O O . HOH M . ? 0.1303 0.1344 0.1279 -0.0136 -0.0023 -0.0021 1158 HOH A O 7649 O O . HOH M . ? 0.1708 0.2977 0.2507 -0.0082 -0.0976 -0.0208 1159 HOH A O 7650 O O . HOH M . ? 0.2901 0.2131 0.2239 0.0099 0.0092 0.0863 1160 HOH A O 7651 O O . HOH M . ? 0.1909 0.2083 0.1451 -0.0195 0.0013 0.0405 1161 HOH A O 7653 O O . HOH M . ? 0.4291 0.3294 0.4589 -0.0547 -0.0035 0.0517 1163 HOH A O 7654 O O . HOH M . ? 0.1845 0.1751 0.1981 0.0259 -0.0179 0.0473 1164 HOH A O 7655 O O . HOH M . ? 0.3996 0.1147 0.1924 0.0732 -0.0557 -0.0279 1165 HOH A O 7656 O O . HOH M . ? 0.1258 0.1342 0.1110 0.0030 -0.0004 -0.0136 1166 HOH A O 7658 O O . HOH M . ? 0.1012 0.2195 0.2450 -0.0243 0.0004 0.0168 1168 HOH A O 7659 O O . HOH M . ? 0.2992 0.1741 0.3942 -0.0109 0.1105 0.0304 1169 HOH A O 7660 O O . HOH M . ? 0.2099 0.3490 0.3420 -0.0607 0.0713 -0.1269 1170 HOH A O 7663 O O . HOH M . ? 0.2715 0.2352 0.2806 -0.0321 -0.0077 0.0350 1173 HOH A O 7664 O O . HOH M . ? 0.1073 0.1796 0.2025 0.0073 -0.0126 -0.0291 1174 HOH A O 7665 O O . HOH M . ? 0.2461 0.1845 0.1406 0.0540 -0.0462 0.0079 1175 HOH A O 7666 O O . HOH M . ? 0.2161 0.2437 0.2296 -0.0675 -0.0023 -0.0313 1176 HOH A O 7667 O O . HOH M . ? 0.3296 0.3670 0.7232 0.1713 0.1904 0.1973 1177 HOH A O 7668 O O . HOH M . ? 0.4844 0.4246 0.5192 0.2150 0.2519 0.1187 1178 HOH A O 7669 O O . HOH M . ? 0.1642 0.2686 0.1997 -0.0759 0.0100 -0.0767 1179 HOH A O 7671 O O . HOH M . ? 0.1763 0.4353 0.2061 0.0269 0.0047 0.1255 1181 HOH A O 7672 O O . HOH M . ? 0.2449 0.2421 0.2508 0.0005 0.0024 0.0337 1182 HOH A O 7675 O O . HOH M . ? 0.2774 0.3426 0.6689 -0.0582 -0.2263 0.2462 1185 HOH A O 7678 O O . HOH M . ? 0.6968 0.3226 0.4737 -0.1539 -0.2363 0.0302 1188 HOH A O 7679 O O . HOH M . ? 0.3758 0.3834 0.6346 -0.0272 0.0528 -0.2269 1189 HOH A O 7680 O O . HOH M . ? 0.1048 0.1020 0.1859 0.0040 0.0001 0.0059 1190 HOH A O 7681 O O . HOH M . ? 0.2593 0.3225 0.5006 0.1155 -0.0345 -0.1524 1191 HOH A O 7683 O O . HOH M . ? 0.2297 0.4972 0.6855 0.0744 -0.0403 -0.0216 1193 HOH A O 7685 O O . HOH M . ? 0.4551 0.3342 0.2910 0.0249 -0.0591 -0.0405 1195 HOH A O 7686 O O . HOH M . ? 0.2511 0.1662 0.4713 0.0008 0.0412 0.0362 1196 HOH A O 7687 O O . HOH M . ? 0.2052 0.4712 0.6312 0.0285 -0.0437 0.1815 1197 HOH A O 7688 O O . HOH M . ? 0.3805 0.3532 0.2451 -0.0329 0.1529 -0.0158 1198 HOH A O 7689 O O . HOH M . ? 0.1974 0.4197 0.2533 0.0961 0.0534 0.0932 1199 HOH A O 7690 O O . HOH M . ? 0.1405 0.2949 0.2292 -0.0745 0.0173 -0.0434 1200 HOH A O 7691 O O . HOH M . ? 0.2606 0.4395 0.6622 0.0250 -0.1539 0.0266 1201 HOH A O 7692 O O . HOH M . ? 0.4415 0.4984 0.3254 0.1011 0.0349 -0.0676 1202 HOH A O 7693 O O . HOH M . ? 0.1632 0.3873 0.4693 -0.0444 -0.0540 0.0629 1203 HOH A O 7694 O O . HOH M . ? 0.1951 0.3351 0.2195 -0.0786 0.0385 -0.0948 1204 HOH A O 7695 O O . HOH M . ? 0.3687 0.2906 0.3782 -0.0082 0.1188 0.1654 1205 HOH A O 7696 O O . HOH M . ? 0.4493 0.6965 0.2570 0.3185 -0.0655 -0.0707 1206 HOH A O 7697 O O . HOH M . ? 0.0924 0.3881 0.3511 -0.0522 -0.0134 0.0646 1207 HOH A O 7698 O O . HOH M . ? 0.5924 0.4350 0.3601 0.0508 0.1344 -0.0400 1208 HOH A O 7699 O O . HOH M . ? 0.3236 0.2492 0.2634 -0.0043 -0.0195 -0.0128 1209 HOH A O 7701 O O . HOH M . ? 0.1534 0.1630 0.1906 -0.0106 0.0007 -0.0206 1211 HOH A O 7703 O O . HOH M . ? 0.2825 0.2862 0.3030 0.0135 0.0813 0.0193 1213 HOH A O 7704 O O . HOH M . ? 0.1157 0.1767 0.1905 0.0388 0.0069 -0.0337 1214 HOH A O 7705 O O . HOH M . ? 0.1993 0.3859 0.6002 -0.0703 0.0363 -0.0241 1215 HOH A O 7706 O O . HOH M . ? 0.2381 0.2906 0.1530 -0.0010 0.0092 -0.0195 1216 HOH A O 7707 O O . HOH M . ? 0.2629 0.7146 0.3527 -0.0197 0.0467 0.2447 1217 HOH A O 7708 O O . HOH M . ? 0.4554 0.2168 0.3352 -0.0699 -0.0772 -0.0470 1218 HOH A O 7711 O O . HOH M . ? 0.2682 0.3017 0.4005 -0.0690 0.0911 -0.1231 1221 HOH A O 7712 O O . HOH M . ? 0.1834 0.5361 0.3138 0.0205 0.0061 -0.0924 1222 HOH A O 7713 O O . HOH M . ? 0.1983 0.6750 0.3658 -0.1101 0.0016 -0.0530 1223 HOH A O 7714 O O . HOH M . ? 0.3690 0.4503 0.4995 -0.0531 0.0467 -0.0904 1224 HOH A O 7716 O O . HOH M . ? 0.2197 0.1606 0.2090 0.0651 -0.0179 -0.0185 1226 HOH A O 7718 O O . HOH M . ? 0.5949 0.2448 0.3270 0.0651 -0.0548 -0.0250 1228 HOH A O 7719 O O . HOH M . ? 0.1572 0.1642 0.2142 0.0086 -0.0119 -0.0113 1229 HOH A O 7720 O O . HOH M . ? 0.2879 0.3092 0.2874 0.0045 -0.0623 -0.0047 1230 HOH A O 7722 O O . HOH M . ? 0.1635 0.2112 0.1781 -0.0218 0.0345 -0.0341 1232 HOH A O 7724 O O . HOH M . ? 0.3873 0.2282 0.3482 -0.0548 -0.0632 -0.0804 1234 HOH A O 7725 O O . HOH M . ? 0.8439 0.3828 0.3586 0.1624 -0.0603 0.0465 1235 HOH A O 7726 O O . HOH M . ? 0.1901 0.1602 0.1809 0.0012 -0.0356 -0.0372 1236 HOH A O 7727 O O . HOH M . ? 0.3575 0.3974 0.3025 0.1231 0.0016 -0.0033 1237 HOH A O 7728 O O . HOH M . ? 0.1062 0.1148 0.0987 0.0098 -0.0209 -0.0147 1238 HOH A O 7729 O O . HOH M . ? 0.6259 0.3716 0.4549 0.1391 0.1048 -0.1146 1239 HOH A O 7731 O O . HOH M . ? 0.3379 0.5586 0.5034 0.0885 -0.0560 0.0945 1241 HOH A O 7732 O O . HOH M . ? 0.2886 0.2166 0.6613 0.0447 0.0415 0.0596 1242 HOH A O 7733 O O . HOH M . ? 0.3997 0.3509 0.2320 0.1122 -0.0245 -0.0492 1243 HOH A O 7735 O O . HOH M . ? 0.1600 0.7744 0.3235 0.1124 0.0589 0.1982 1245 HOH A O 7736 O O . HOH M . ? 0.2290 0.5175 0.3371 0.0114 -0.0358 -0.0154 1246 HOH A O 7739 O O . HOH M . ? 0.2493 0.4239 0.3160 0.0690 -0.0913 0.0007 1249 HOH A O 7740 O O . HOH M . ? 0.4834 0.1281 0.2922 0.0041 0.1097 -0.0314 1250 HOH A O 7741 O O . HOH M . ? 0.3074 0.7896 0.4602 0.1548 0.0266 0.1758 1251 HOH A O 7742 O O . HOH M . ? 0.2178 0.3192 0.4055 0.0300 -0.0317 0.0235 1252 HOH A O 7743 O O . HOH M . ? 0.1546 0.4083 0.3638 -0.0086 0.0532 -0.1986 1253 HOH A O 7744 O O . HOH M . ? 0.2490 0.1965 0.2316 0.0429 0.0590 0.0403 1254 HOH A O 7747 O O . HOH M . ? 0.2735 0.3025 0.4068 0.0445 0.0286 0.0204 1257 HOH A O 7748 O O . HOH M . ? 0.2241 0.1939 0.2526 0.0258 -0.0390 -0.0478 1258 HOH A O 7749 O O . HOH M . ? 0.2575 0.3599 0.2314 0.0122 -0.0929 0.0197 1259 HOH A O 7752 O O . HOH M . ? 0.3835 0.2959 0.7009 0.0730 0.1914 0.0089 1262 HOH A O 7755 O O . HOH M . ? 0.3917 0.4461 0.3851 -0.0402 -0.1479 0.1074 1265 HOH A O 7757 O O . HOH M . ? 0.3316 0.2753 0.7241 0.0670 0.1009 0.1068 1267 HOH A O 7759 O O . HOH M . ? 0.5206 0.5868 0.4899 0.2418 0.0091 0.0088 1269 HOH A O 7760 O O . HOH M . ? 0.3048 0.1571 0.3426 0.0099 0.0444 0.0216 1270 HOH A O 7761 O O . HOH M . ? 0.2499 0.5679 0.5222 0.0738 0.0502 0.0518 1271 HOH A O 7762 O O . HOH M . ? 0.3658 0.3755 0.3130 0.0190 0.0420 0.0241 1272 HOH A O 7763 O O . HOH M . ? 0.4055 0.2835 0.5227 0.0259 0.0348 0.0234 1273 HOH A O 7764 O O . HOH M . ? 0.3367 1.0696 0.4640 -0.1891 -0.0753 0.0988 1274 HOH A O 7767 O O . HOH M . ? 0.2545 0.3223 0.1794 -0.0630 0.0135 0.0298 1277 HOH A O 7768 O O . HOH M . ? 0.2171 0.1574 0.3127 0.0218 0.0222 0.0367 1278 HOH A O 7770 O O . HOH M . ? 0.2585 0.8798 0.4109 -0.0267 0.0736 0.0492 1280 HOH A O 7771 O O . HOH M . ? 0.3203 0.3061 0.2216 0.0154 0.0427 -0.0360 1281 HOH A O 7772 O O . HOH M . ? 0.3058 0.2233 0.1195 0.0117 -0.0429 -0.0006 1282 HOH A O 7773 O O . HOH M . ? 0.2987 0.4359 0.3541 -0.1544 0.0130 0.0139 1283 HOH A O 7774 O O . HOH M . ? 0.4386 0.4772 0.2328 -0.0741 0.0806 -0.0173 1284 HOH A O 7776 O O . HOH M . ? 0.0989 0.2460 0.3419 0.0273 0.0397 0.0038 1286 HOH A O 7778 O O . HOH M . ? 0.4134 0.4591 0.4775 0.2351 -0.2047 -0.1173 1288 HOH A O 7781 O O . HOH M . ? 0.5202 0.4964 0.2959 -0.0646 -0.0709 -0.1136 1291 HOH A O 7782 O O . HOH M . ? 0.1700 0.1860 0.4018 0.0151 -0.0937 -0.1141 1292 HOH A O 7787 O O . HOH M . ? 0.1981 0.2534 0.6041 -0.0188 0.0273 -0.0506 1297 HOH A O 7788 O O . HOH M . ? 0.4456 0.2724 0.4502 -0.1812 0.0754 -0.0142 1298 HOH A O 7789 O O . HOH M . ? 0.2135 0.2077 0.2015 -0.0623 0.0086 -0.0166 1299 HOH A O 7790 O O . HOH M . ? 0.1670 0.2202 0.1316 0.0116 0.0264 -0.0069 1300 HOH A O 7792 O O . HOH M . ? 0.3643 0.1883 0.3084 -0.0609 0.1144 -0.0568 1302 HOH A O 7793 O O . HOH M . ? 0.2638 0.2036 0.2318 0.0328 0.0150 -0.0145 1303 HOH A O 7794 O O . HOH M . ? 0.1630 0.1858 0.1944 0.0041 0.0165 0.0293 1304 HOH A O 7796 O O . HOH M . ? 0.3106 0.3867 0.2779 -0.1781 0.0696 -0.1012 1306 HOH A O 7797 O O . HOH M . ? 0.7971 0.4190 0.2386 -0.1248 -0.1046 0.0083 1307 HOH A O 7798 O O . HOH M . ? 0.2217 0.3322 0.2705 -0.0129 -0.0589 0.0759 1308 HOH A O 7799 O O . HOH M . ? 0.8180 0.3824 0.3508 0.0761 0.1169 0.1847 1309 HOH A O 7800 O O . HOH M . ? 0.1611 0.1842 0.5949 -0.0035 -0.0143 0.0945 1310 HOH A O 7801 O O . HOH M . ? 0.6809 0.2965 0.3005 -0.2120 0.0115 0.0093 1311 HOH A O 7803 O O . HOH M . ? 0.2436 0.5754 0.4082 0.0795 -0.1087 -0.1589 1313 HOH A O 7805 O O . HOH M . ? 0.1374 0.2185 0.3762 0.0446 -0.0836 0.0484 1315 HOH A O 7806 O O . HOH M . ? 0.2643 0.1284 0.6018 -0.0462 0.0972 -0.0036 1316 HOH A O 7809 O O . HOH M . ? 0.2698 0.3678 0.3275 -0.0719 0.0227 0.0207 1319 HOH A O 7810 O O . HOH M . ? 0.2653 0.2968 0.4063 -0.0298 -0.0441 -0.0383 1320 HOH A O 7811 O O . HOH M . ? 0.2919 0.4113 0.5070 -0.0987 -0.0107 0.0629 1321 HOH A O 7814 O O . HOH M . ? 0.1541 0.1422 0.1686 0.0192 -0.0085 -0.0087 1324 HOH A O 7815 O O . HOH M . ? 0.2032 0.4195 0.4794 -0.0252 0.0743 -0.0052 1325 HOH A O 7817 O O . HOH M . ? 0.6147 0.4334 0.4843 0.1968 -0.1070 -0.0978 1327 HOH A O 7819 O O . HOH M . ? 0.4909 0.4425 0.4229 0.1686 -0.2274 -0.1994 1329 HOH A O 7820 O O . HOH M . ? 0.2944 0.2669 0.3319 -0.0030 -0.0125 0.0038 1330 HOH A O 7821 O O . HOH M . ? 0.1557 0.1619 0.2293 -0.0509 0.0055 -0.0012 1331 HOH A O 7823 O O . HOH M . ? 0.3263 0.5444 0.3570 -0.0652 -0.0849 0.1624 1333 HOH A O 7824 O O . HOH M . ? 0.2835 0.2469 0.2333 0.0304 0.0309 0.1228 1334 HOH A O 7825 O O . HOH M . ? 0.3888 0.6045 0.2251 -0.1810 0.0016 -0.1250 1335 HOH A O 7826 O O . HOH M . ? 0.5117 0.4867 0.2394 0.0260 0.1216 -0.0743 1336 HOH A O 7827 O O . HOH M . ? 0.3583 0.1460 0.2983 0.0427 -0.1581 -0.0026 1337 HOH A O 7828 O O . HOH M . ? 0.3380 0.3342 0.3723 0.1092 0.0802 -0.1001 1338 HOH A O 7829 O O . HOH M . ? 0.3225 0.4205 0.5470 0.0649 0.0907 -0.0823 1339 HOH A O 7832 O O . HOH M . ? 0.3024 0.2805 0.5205 0.0178 0.1508 -0.0507 1342 HOH A O 7834 O O . HOH M . ? 0.1878 0.3604 0.4443 -0.0442 0.0177 -0.2615 1344 HOH A O 7835 O O . HOH M . ? 0.1854 0.3588 0.2201 -0.0350 0.0295 0.0677 1345 HOH A O 7836 O O . HOH M . ? 0.2608 0.4286 0.7193 -0.1388 -0.1364 0.1592 1346 HOH A O 7837 O O . HOH M . ? 0.2270 0.2144 0.1375 0.0463 -0.0440 -0.0374 1347 HOH A O 7838 O O . HOH M . ? 0.4372 0.2327 0.3370 0.0637 0.0681 0.1148 1348 HOH A O 7839 O O . HOH M . ? 0.3813 0.2388 0.2053 0.0092 0.0946 -0.0013 1349 HOH A O 7840 O O . HOH M . ? 0.1386 0.2284 0.1586 0.0073 -0.0196 -0.0535 1350 HOH A O 7842 O O . HOH M . ? 0.2493 0.3220 0.2691 -0.0243 0.0736 -0.0375 1352 HOH A O 7843 O O . HOH M . ? 0.4593 0.5207 0.2642 0.1154 0.0326 -0.0637 1353 HOH A O 7845 O O . HOH M . ? 0.3815 0.3521 0.4747 -0.0143 -0.1782 -0.0153 1355 HOH A O 7846 O O . HOH M . ? 0.2030 0.3437 0.4114 -0.0033 -0.0046 -0.0751 1356 HOH A O 7849 O O . HOH M . ? 0.5707 0.3579 0.2313 0.0751 -0.0727 -0.0646 1359 HOH A O 7851 O O . HOH M . ? 0.3475 0.1799 0.5112 -0.0197 -0.0439 0.0182 1361 HOH A O 7852 O O . HOH M . ? 0.4542 0.5877 0.2981 0.0999 -0.0302 -0.2017 1362 HOH A O 7853 O O . HOH M . ? 0.2601 0.4280 0.5542 -0.0249 0.1583 -0.0082 1363 HOH A O 7855 O O . HOH M . ? 0.1949 0.3337 0.3319 -0.0011 0.0117 -0.0479 1365 HOH A O 7856 O O . HOH M . ? 0.8332 0.3087 0.4726 0.2748 -0.1373 -0.1398 1366 HOH A O 7857 O O . HOH M . ? 0.2208 0.2948 0.1159 -0.0061 -0.0234 0.0309 1367 HOH A O 7858 O O . HOH M . ? 0.2284 0.1209 0.4006 -0.0064 -0.0862 0.0348 1368 HOH A O 7859 O O . HOH M . ? 0.3108 0.4552 0.2647 -0.1312 0.0642 0.0090 1369 HOH A O 7860 O O . HOH M . ? 0.1353 0.1626 0.4464 0.0083 0.0299 0.0584 1370 HOH A O 7861 O O . HOH M . ? 0.1329 0.1796 0.2137 0.0209 0.0530 0.0378 1371 HOH A O 7863 O O . HOH M . ? 0.2068 0.3513 0.3392 0.0211 0.0034 -0.0018 1373 HOH A O 7864 O O . HOH M . ? 0.3683 0.6215 0.4191 0.2200 0.0159 0.1708 1374 HOH A O 7867 O O . HOH M . ? 0.2265 0.3652 0.2913 -0.0955 0.0233 0.0180 1377 HOH A O 7868 O O . HOH M . ? 0.2699 0.6264 0.2821 0.2442 0.0192 0.1405 1378 HOH A O 7869 O O . HOH M . ? 0.3786 0.8390 0.2518 -0.1693 0.0068 0.0719 1379 HOH A O 7871 O O . HOH M . ? 0.2104 0.4198 0.3886 0.0301 -0.0351 -0.0163 1381 HOH A O 7873 O O . HOH M . ? 0.2431 0.2720 0.3314 0.0276 -0.0330 -0.0332 1383 HOH A O 7874 O O . HOH M . ? 0.2856 0.2516 0.1995 0.1131 0.0982 0.0190 1384 HOH A O 7875 O O . HOH M . ? 0.3330 0.3002 0.4983 -0.0314 0.1460 -0.0610 1385 HOH A O 7876 O O . HOH M . ? 0.7329 0.5086 0.2276 0.2885 -0.0157 0.0300 1386 HOH A O 7877 O O . HOH M . ? 0.2422 0.7285 0.2764 0.0560 -0.0154 0.1157 1387 HOH A O 7880 O O . HOH M . ? 0.4239 0.3711 0.4598 0.0271 0.0674 -0.1261 1390 HOH A O 7881 O O . HOH M . ? 0.2463 0.3534 0.2916 -0.0396 -0.0434 0.1040 1391 HOH A O 7882 O O . HOH M . ? 0.4067 0.3822 0.5225 0.0578 0.0466 0.1179 1392 HOH A O 7883 O O . HOH M . ? 0.3282 0.6740 0.3734 -0.1634 -0.0724 0.0244 1393 HOH A O 7885 O O . HOH M . ? 0.5485 0.5143 0.4042 -0.1983 -0.1843 0.1764 1395 HOH A O 7886 O O . HOH M . ? 0.2902 0.4031 0.4160 0.0716 -0.1267 0.0461 1396 HOH A O 7888 O O . HOH M . ? 0.5877 0.2518 0.5642 -0.0071 0.2663 0.0966 1398 HOH A O 7889 O O . HOH M . ? 0.3788 0.3021 0.4662 0.0010 -0.1313 -0.0316 1399 HOH A O 7890 O O . HOH M . ? 0.5692 0.3754 0.3000 -0.0736 0.1133 0.0034 1400 HOH A O 7892 O O . HOH M . ? 0.5421 0.3456 0.3345 0.2535 -0.1042 -0.0425 1402 HOH A O 7893 O O . HOH M . ? 0.3912 0.1947 0.2927 0.0988 -0.0358 -0.0516 1403 HOH A O 7894 O O . HOH M . ? 0.4684 0.3326 0.3825 -0.0348 -0.0224 0.0296 1404 HOH A O 7898 O O . HOH M . ? 0.2970 0.6093 0.3729 0.0813 0.0654 0.0653 1408 HOH A O 7899 O O . HOH M . ? 0.5844 0.1973 0.1928 0.0550 -0.0655 -0.0419 1409 HOH A O 7901 O O . HOH M . ? 0.4134 0.2881 0.4434 -0.1668 0.0980 -0.0034 1411 HOH A O 7903 O O . HOH M . ? 0.2584 0.3551 0.1767 0.1123 -0.0146 -0.0083 1413 HOH A O 7905 O O . HOH M . ? 0.4044 0.4004 0.6888 0.0213 0.2530 0.0350 1415 HOH A O 7906 O O . HOH M . ? 0.3844 0.3880 0.4533 0.1365 0.1533 -0.0027 1416 HOH A O 7907 O O . HOH M . ? 0.4683 0.4727 0.1945 -0.0035 -0.0375 0.0512 1417 HOH A O 7909 O O . HOH M . ? 0.2404 0.1584 0.3202 -0.0345 0.0757 -0.0191 1419 HOH A O 7910 O O . HOH M . ? 0.4194 0.3787 0.4833 0.1637 -0.1568 -0.1626 1420 HOH A O 7911 O O . HOH M . ? 0.3629 0.2842 0.2665 0.1395 0.0861 0.0649 1421 HOH A O 7913 O O . HOH M . ? 0.2614 0.3640 0.5361 -0.0791 0.0049 0.1114 1423 HOH A O 7918 O O . HOH M . ? 0.2488 0.6960 0.3199 0.1365 0.0357 0.1436 1428 HOH A O 7919 O O . HOH M . ? 0.7986 0.2250 0.3873 -0.1090 -0.0684 0.0276 1429 HOH A O 7920 O O . HOH M . ? 0.2196 0.3851 0.4018 -0.0008 -0.0352 0.1109 1430 HOH A O # 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 ALA 1 1 1 ALA ALA A . n A 1 2 GLN 2 2 2 GLN GLN A . n A 1 3 ILE 3 3 3 ILE ILE A . n A 1 4 GLY 4 4 4 GLY GLY A . n A 1 5 PRO 5 5 5 PRO PRO A . n A 1 6 VAL 6 6 6 VAL VAL A . n A 1 7 THR 7 7 7 THR THR A . n A 1 8 ASP 8 8 8 ASP ASP A . n A 1 9 LEU 9 9 9 LEU LEU A . n A 1 10 HIS 10 10 10 HIS HIS A . n A 1 11 ILE 11 11 11 ILE ILE A . n A 1 12 THR 12 12 12 THR THR A . n A 1 13 ASN 13 13 13 ASN ASN A . n A 1 14 ALA 14 14 14 ALA ALA A . n A 1 15 ASN 15 15 15 ASN ASN A . n A 1 16 ILE 16 16 16 ILE ILE A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 PRO 18 18 18 PRO PRO A . n A 1 19 ASP 19 19 19 ASP ASP A . n A 1 20 GLY 20 20 20 GLY GLY A . n A 1 21 PHE 21 21 21 PHE PHE A . n A 1 22 SER 22 22 22 SER SER A . n A 1 23 ARG 23 23 23 ARG ARG A . n A 1 24 PRO 24 24 24 PRO PRO A . n A 1 25 ALA 25 25 25 ALA ALA A . n A 1 26 VAL 26 26 26 VAL VAL A . n A 1 27 LEU 27 27 27 LEU LEU A . n A 1 28 ALA 28 28 28 ALA ALA A . n A 1 29 GLY 29 29 29 GLY GLY A . n A 1 30 GLY 30 30 30 GLY GLY A . n A 1 31 THR 31 31 31 THR THR A . n A 1 32 PHE 32 32 32 PHE PHE A . n A 1 33 PRO 33 33 33 PRO PRO A . n A 1 34 GLY 34 34 34 GLY GLY A . n A 1 35 PRO 35 35 35 PRO PRO A . n A 1 36 THR 36 36 36 THR THR A . n A 1 37 ILE 37 37 37 ILE ILE A . n A 1 38 ALA 38 38 38 ALA ALA A . n A 1 39 GLY 39 39 39 GLY GLY A . n A 1 40 ASN 40 40 40 ASN ASN A . n A 1 41 THR 41 41 41 THR THR A . n A 1 42 GLY 42 42 42 GLY GLY A . n A 1 43 ASP 43 43 43 ASP ASP A . n A 1 44 ASN 44 44 44 ASN ASN A . n A 1 45 PHE 45 45 45 PHE PHE A . n A 1 46 GLN 46 46 46 GLN GLN A . n A 1 47 ILE 47 47 47 ILE ILE A . n A 1 48 THR 48 48 48 THR THR A . n A 1 49 VAL 49 49 49 VAL VAL A . n A 1 50 PHE 50 50 50 PHE PHE A . n A 1 51 ASN 51 51 51 ASN ASN A . n A 1 52 ASP 52 52 52 ASP ASP A . n A 1 53 LEU 53 53 53 LEU LEU A . n A 1 54 THR 54 54 54 THR THR A . n A 1 55 ASP 55 55 55 ASP ASP A . n A 1 56 PRO 56 56 56 PRO PRO A . n A 1 57 SER 57 57 57 SER SER A . n A 1 58 MET 58 58 58 MET MET A . n A 1 59 LEU 59 59 59 LEU LEU A . n A 1 60 THR 60 60 60 THR THR A . n A 1 61 ASP 61 61 61 ASP ASP A . n A 1 62 THR 62 62 62 THR THR A . n A 1 63 SER 63 63 63 SER SER A . n A 1 64 ILE 64 64 64 ILE ILE A . n A 1 65 HIS 65 65 65 HIS HIS A . n A 1 66 TRP 66 66 66 TRP TRP A . n A 1 67 HIS 67 67 67 HIS HIS A . n A 1 68 GLY 68 68 68 GLY GLY A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 LYS 72 72 72 LYS LYS A . n A 1 73 GLY 73 73 73 GLY GLY A . n A 1 74 THR 74 74 74 THR THR A . n A 1 75 ASN 75 75 75 ASN ASN A . n A 1 76 TRP 76 76 76 TRP TRP A . n A 1 77 ALA 77 77 77 ALA ALA A . n A 1 78 ASP 78 78 78 ASP ASP A . n A 1 79 GLY 79 79 79 GLY GLY A . n A 1 80 PRO 80 80 80 PRO PRO A . n A 1 81 ALA 81 81 81 ALA ALA A . n A 1 82 PHE 82 82 82 PHE PHE A . n A 1 83 VAL 83 83 83 VAL VAL A . n A 1 84 THR 84 84 84 THR THR A . n A 1 85 GLN 85 85 85 GLN GLN A . n A 1 86 CYS 86 86 86 CYS CYS A . n A 1 87 PRO 87 87 87 PRO PRO A . n A 1 88 ILE 88 88 88 ILE ILE A . n A 1 89 ILE 89 89 89 ILE ILE A . n A 1 90 THR 90 90 90 THR THR A . n A 1 91 GLY 91 91 91 GLY GLY A . n A 1 92 GLN 92 92 92 GLN GLN A . n A 1 93 SER 93 93 93 SER SER A . n A 1 94 PHE 94 94 94 PHE PHE A . n A 1 95 ASP 95 95 95 ASP ASP A . n A 1 96 TYR 96 96 96 TYR TYR A . n A 1 97 ASN 97 97 97 ASN ASN A . n A 1 98 PHE 98 98 98 PHE PHE A . n A 1 99 ASN 99 99 99 ASN ASN A . n A 1 100 VAL 100 100 100 VAL VAL A . n A 1 101 PRO 101 101 101 PRO PRO A . n A 1 102 GLY 102 102 102 GLY GLY A . n A 1 103 GLN 103 103 103 GLN GLN A . n A 1 104 ALA 104 104 104 ALA ALA A . n A 1 105 GLY 105 105 105 GLY GLY A . n A 1 106 THR 106 106 106 THR THR A . n A 1 107 PHE 107 107 107 PHE PHE A . n A 1 108 TRP 108 108 108 TRP TRP A . n A 1 109 TYR 109 109 109 TYR TYR A . n A 1 110 HIS 110 110 110 HIS HIS A . n A 1 111 SER 111 111 111 SER SER A . n A 1 112 HIS 112 112 112 HIS HIS A . n A 1 113 LEU 113 113 113 LEU LEU A . n A 1 114 SER 114 114 114 SER SER A . n A 1 115 THR 115 115 115 THR THR A . n A 1 116 GLN 116 116 116 GLN GLN A . n A 1 117 TYR 117 117 117 TYR TYR A . n A 1 118 CYS 118 118 118 CYS CYS A . n A 1 119 ASP 119 119 119 ASP ASP A . n A 1 120 GLY 120 120 120 GLY GLY A . n A 1 121 LEU 121 121 121 LEU LEU A . n A 1 122 ARG 122 122 122 ARG ARG A . n A 1 123 GLY 123 123 123 GLY GLY A . n A 1 124 PRO 124 124 124 PRO PRO A . n A 1 125 PHE 125 125 125 PHE PHE A . n A 1 126 VAL 126 126 126 VAL VAL A . n A 1 127 VAL 127 127 127 VAL VAL A . n A 1 128 TYR 128 128 128 TYR TYR A . n A 1 129 ASP 129 129 129 ASP ASP A . n A 1 130 PRO 130 130 130 PRO PRO A . n A 1 131 ASN 131 131 131 ASN ASN A . n A 1 132 ASP 132 132 132 ASP ASP A . n A 1 133 PRO 133 133 133 PRO PRO A . n A 1 134 ASN 134 134 134 ASN ASN A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 SER 136 136 136 SER SER A . n A 1 137 LEU 137 137 137 LEU LEU A . n A 1 138 TYR 138 138 138 TYR TYR A . n A 1 139 ASP 139 139 139 ASP ASP A . n A 1 140 VAL 140 140 140 VAL VAL A . n A 1 141 ASP 141 141 141 ASP ASP A . n A 1 142 ASP 142 142 142 ASP ASP A . n A 1 143 ASP 143 143 143 ASP ASP A . n A 1 144 THR 144 144 144 THR THR A . n A 1 145 THR 145 145 145 THR THR A . n A 1 146 ILE 146 146 146 ILE ILE A . n A 1 147 ILE 147 147 147 ILE ILE A . n A 1 148 THR 148 148 148 THR THR A . n A 1 149 LEU 149 149 149 LEU LEU A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 ASP 151 151 151 ASP ASP A . n A 1 152 TRP 152 152 152 TRP TRP A . n A 1 153 TYR 153 153 153 TYR TYR A . n A 1 154 HIS 154 154 154 HIS HIS A . n A 1 155 THR 155 155 155 THR THR A . n A 1 156 LEU 156 156 156 LEU LEU A . n A 1 157 ALA 157 157 157 ALA ALA A . n A 1 158 GLN 158 158 158 GLN GLN A . n A 1 159 GLN 159 159 159 GLN GLN A . n A 1 160 GLU 160 160 160 GLU GLU A . n A 1 161 PRO 161 161 161 PRO PRO A . n A 1 162 ILE 162 162 162 ILE ILE A . n A 1 163 GLY 163 163 163 GLY GLY A . n A 1 164 ALA 164 164 164 ALA ALA A . n A 1 165 ALA 165 165 165 ALA ALA A . n A 1 166 ILE 166 166 166 ILE ILE A . n A 1 167 THR 167 167 167 THR THR A . n A 1 168 ALA 168 168 168 ALA ALA A . n A 1 169 ASP 169 169 169 ASP ASP A . n A 1 170 ALA 170 170 170 ALA ALA A . n A 1 171 THR 171 171 171 THR THR A . n A 1 172 LEU 172 172 172 LEU LEU A . n A 1 173 ILE 173 173 173 ILE ILE A . n A 1 174 ASN 174 174 174 ASN ASN A . n A 1 175 GLY 175 175 175 GLY GLY A . n A 1 176 LEU 176 176 176 LEU LEU A . n A 1 177 GLY 177 177 177 GLY GLY A . n A 1 178 ARG 178 178 178 ARG ARG A . n A 1 179 SER 179 179 179 SER SER A . n A 1 180 PHE 180 180 180 PHE PHE A . n A 1 181 THR 181 181 181 THR THR A . n A 1 182 ASN 182 182 182 ASN ASN A . n A 1 183 THR 183 183 183 THR THR A . n A 1 184 THR 184 184 184 THR THR A . n A 1 185 ALA 185 185 185 ALA ALA A . n A 1 186 SER 186 186 186 SER SER A . n A 1 187 PRO 187 187 187 PRO PRO A . n A 1 188 LEU 188 188 188 LEU LEU A . n A 1 189 SER 189 189 189 SER SER A . n A 1 190 VAL 190 190 190 VAL VAL A . n A 1 191 ILE 191 191 191 ILE ILE A . n A 1 192 THR 192 192 192 THR THR A . n A 1 193 VAL 193 193 193 VAL VAL A . n A 1 194 GLN 194 194 194 GLN GLN A . n A 1 195 SER 195 195 195 SER SER A . n A 1 196 GLY 196 196 196 GLY GLY A . n A 1 197 LYS 197 197 197 LYS LYS A . n A 1 198 ARG 198 198 198 ARG ARG A . n A 1 199 TYR 199 199 199 TYR TYR A . n A 1 200 ARG 200 200 200 ARG ARG A . n A 1 201 MET 201 201 201 MET MET A . n A 1 202 ARG 202 202 202 ARG ARG A . n A 1 203 LEU 203 203 203 LEU LEU A . n A 1 204 VAL 204 204 204 VAL VAL A . n A 1 205 SER 205 205 205 SER SER A . n A 1 206 ILE 206 206 206 ILE ILE A . n A 1 207 SER 207 207 207 SER SER A . n A 1 208 CYS 208 208 208 CYS CYS A . n A 1 209 ASP 209 209 209 ASP ASP A . n A 1 210 PRO 210 210 210 PRO PRO A . n A 1 211 ASN 211 211 211 ASN ASN A . n A 1 212 TYR 212 212 212 TYR TYR A . n A 1 213 LEU 213 213 213 LEU LEU A . n A 1 214 PHE 214 214 214 PHE PHE A . n A 1 215 SER 215 215 215 SER SER A . n A 1 216 ILE 216 216 216 ILE ILE A . n A 1 217 ASP 217 217 217 ASP ASP A . n A 1 218 GLY 218 218 218 GLY GLY A . n A 1 219 HIS 219 219 219 HIS HIS A . n A 1 220 ASP 220 220 220 ASP ASP A . n A 1 221 MET 221 221 221 MET MET A . n A 1 222 THR 222 222 222 THR THR A . n A 1 223 ILE 223 223 223 ILE ILE A . n A 1 224 ILE 224 224 224 ILE ILE A . n A 1 225 GLU 225 225 225 GLU GLU A . n A 1 226 VAL 226 226 226 VAL VAL A . n A 1 227 ASP 227 227 227 ASP ASP A . n A 1 228 GLY 228 228 228 GLY GLY A . n A 1 229 VAL 229 229 229 VAL VAL A . n A 1 230 ASN 230 230 230 ASN ASN A . n A 1 231 SER 231 231 231 SER SER A . n A 1 232 GLN 232 232 232 GLN GLN A . n A 1 233 GLN 233 233 233 GLN GLN A . n A 1 234 LEU 234 234 234 LEU LEU A . n A 1 235 THR 235 235 235 THR THR A . n A 1 236 VAL 236 236 236 VAL VAL A . n A 1 237 ASP 237 237 237 ASP ASP A . n A 1 238 GLN 238 238 238 GLN GLN A . n A 1 239 ILE 239 239 239 ILE ILE A . n A 1 240 GLN 240 240 240 GLN GLN A . n A 1 241 ILE 241 241 241 ILE ILE A . n A 1 242 PHE 242 242 242 PHE PHE A . n A 1 243 ALA 243 243 243 ALA ALA A . n A 1 244 ALA 244 244 244 ALA ALA A . n A 1 245 GLN 245 245 245 GLN GLN A . n A 1 246 ARG 246 246 246 ARG ARG A . n A 1 247 TYR 247 247 247 TYR TYR A . n A 1 248 SER 248 248 248 SER SER A . n A 1 249 PHE 249 249 249 PHE PHE A . n A 1 250 VAL 250 250 250 VAL VAL A . n A 1 251 LEU 251 251 251 LEU LEU A . n A 1 252 ASN 252 252 252 ASN ASN A . n A 1 253 ALA 253 253 253 ALA ALA A . n A 1 254 ASN 254 254 254 ASN ASN A . n A 1 255 GLN 255 255 255 GLN GLN A . n A 1 256 PRO 256 256 256 PRO PRO A . n A 1 257 VAL 257 257 257 VAL VAL A . n A 1 258 GLY 258 258 258 GLY GLY A . n A 1 259 ASN 259 259 259 ASN ASN A . n A 1 260 TYR 260 260 260 TYR TYR A . n A 1 261 TRP 261 261 261 TRP TRP A . n A 1 262 ILE 262 262 262 ILE ILE A . n A 1 263 ARG 263 263 263 ARG ARG A . n A 1 264 ALA 264 264 264 ALA ALA A . n A 1 265 GLN 265 265 265 GLN GLN A . n A 1 266 PRO 266 266 266 PRO PRO A . n A 1 267 ASN 267 267 267 ASN ASN A . n A 1 268 SER 268 268 268 SER SER A . n A 1 269 GLY 269 269 269 GLY GLY A . n A 1 270 GLY 270 270 270 GLY GLY A . n A 1 271 GLN 271 271 271 GLN GLN A . n A 1 272 GLY 272 272 272 GLY GLY A . n A 1 273 PHE 273 273 273 PHE PHE A . n A 1 274 ASP 274 274 274 ASP ASP A . n A 1 275 GLY 275 275 275 GLY GLY A . n A 1 276 GLY 276 276 276 GLY GLY A . n A 1 277 ILE 277 277 277 ILE ILE A . n A 1 278 ASN 278 278 278 ASN ASN A . n A 1 279 SER 279 279 279 SER SER A . n A 1 280 ALA 280 280 280 ALA ALA A . n A 1 281 ILE 281 281 281 ILE ILE A . n A 1 282 LEU 282 282 282 LEU LEU A . n A 1 283 ARG 283 283 283 ARG ARG A . n A 1 284 TYR 284 284 284 TYR TYR A . n A 1 285 GLU 285 285 285 GLU GLU A . n A 1 286 GLY 286 286 286 GLY GLY A . n A 1 287 ALA 287 287 287 ALA ALA A . n A 1 288 THR 288 288 288 THR THR A . n A 1 289 VAL 289 289 289 VAL VAL A . n A 1 290 GLU 290 290 290 GLU GLU A . n A 1 291 ASP 291 291 291 ASP ASP A . n A 1 292 PRO 292 292 292 PRO PRO A . n A 1 293 THR 293 293 293 THR THR A . n A 1 294 THR 294 294 294 THR THR A . n A 1 295 THR 295 295 295 THR THR A . n A 1 296 ALA 296 296 296 ALA ALA A . n A 1 297 PRO 297 297 297 PRO PRO A . n A 1 298 THR 298 298 298 THR THR A . n A 1 299 THR 299 299 299 THR THR A . n A 1 300 PHE 300 300 300 PHE PHE A . n A 1 301 SER 301 301 301 SER SER A . n A 1 302 ASN 302 302 302 ASN ASN A . n A 1 303 PRO 303 303 303 PRO PRO A . n A 1 304 LEU 304 304 304 LEU LEU A . n A 1 305 VAL 305 305 305 VAL VAL A . n A 1 306 GLU 306 306 306 GLU GLU A . n A 1 307 THR 307 307 307 THR THR A . n A 1 308 ASP 308 308 308 ASP ASP A . n A 1 309 LEU 309 309 309 LEU LEU A . n A 1 310 HIS 310 310 310 HIS HIS A . n A 1 311 PRO 311 311 311 PRO PRO A . n A 1 312 LEU 312 312 312 LEU LEU A . n A 1 313 ALA 313 313 313 ALA ALA A . n A 1 314 ASP 314 314 314 ASP ASP A . n A 1 315 LEU 315 315 315 LEU LEU A . n A 1 316 GLY 316 316 316 GLY GLY A . n A 1 317 VAL 317 317 317 VAL VAL A . n A 1 318 PRO 318 318 318 PRO PRO A . n A 1 319 GLY 319 319 319 GLY GLY A . n A 1 320 GLN 320 320 320 GLN GLN A . n A 1 321 PRO 321 321 321 PRO PRO A . n A 1 322 PHE 322 322 322 PHE PHE A . n A 1 323 ARG 323 323 323 ARG ARG A . n A 1 324 GLY 324 324 324 GLY GLY A . n A 1 325 GLY 325 325 325 GLY GLY A . n A 1 326 ALA 326 326 326 ALA ALA A . n A 1 327 ASP 327 327 327 ASP ASP A . n A 1 328 ASP 328 328 328 ASP ASP A . n A 1 329 PRO 329 329 329 PRO PRO A . n A 1 330 LEU 330 330 330 LEU LEU A . n A 1 331 VAL 331 331 331 VAL VAL A . n A 1 332 LEU 332 332 332 LEU LEU A . n A 1 333 ASN 333 333 333 ASN ASN A . n A 1 334 LEU 334 334 334 LEU LEU A . n A 1 335 ALA 335 335 335 ALA ALA A . n A 1 336 PHE 336 336 336 PHE PHE A . n A 1 337 ALA 337 337 337 ALA ALA A . n A 1 338 ASN 338 338 338 ASN ASN A . n A 1 339 GLY 339 339 339 GLY GLY A . n A 1 340 ARG 340 340 340 ARG ARG A . n A 1 341 PHE 341 341 341 PHE PHE A . n A 1 342 SER 342 342 342 SER SER A . n A 1 343 ILE 343 343 343 ILE ILE A . n A 1 344 ASP 344 344 344 ASP ASP A . n A 1 345 GLY 345 345 345 GLY GLY A . n A 1 346 VAL 346 346 346 VAL VAL A . n A 1 347 SER 347 347 347 SER SER A . n A 1 348 PHE 348 348 348 PHE PHE A . n A 1 349 VAL 349 349 349 VAL VAL A . n A 1 350 PRO 350 350 350 PRO PRO A . n A 1 351 PRO 351 351 351 PRO PRO A . n A 1 352 THR 352 352 352 THR THR A . n A 1 353 VAL 353 353 353 VAL VAL A . n A 1 354 PRO 354 354 354 PRO PRO A . n A 1 355 VAL 355 355 355 VAL VAL A . n A 1 356 LEU 356 356 356 LEU LEU A . n A 1 357 LEU 357 357 357 LEU LEU A . n A 1 358 GLN 358 358 358 GLN GLN A . n A 1 359 ILE 359 359 359 ILE ILE A . n A 1 360 LEU 360 360 360 LEU LEU A . n A 1 361 SER 361 361 361 SER SER A . n A 1 362 GLY 362 362 362 GLY GLY A . n A 1 363 ALA 363 363 363 ALA ALA A . n A 1 364 GLN 364 364 364 GLN GLN A . n A 1 365 ASN 365 365 365 ASN ASN A . n A 1 366 ALA 366 366 366 ALA ALA A . n A 1 367 GLN 367 367 367 GLN GLN A . n A 1 368 ASP 368 368 368 ASP ASP A . n A 1 369 LEU 369 369 369 LEU LEU A . n A 1 370 LEU 370 370 370 LEU LEU A . n A 1 371 PRO 371 371 371 PRO PRO A . n A 1 372 ALA 372 372 372 ALA ALA A . n A 1 373 GLY 373 373 373 GLY GLY A . n A 1 374 SER 374 374 374 SER SER A . n A 1 375 VAL 375 375 375 VAL VAL A . n A 1 376 ILE 376 376 376 ILE ILE A . n A 1 377 SER 377 377 377 SER SER A . n A 1 378 LEU 378 378 378 LEU LEU A . n A 1 379 PRO 379 379 379 PRO PRO A . n A 1 380 SER 380 380 380 SER SER A . n A 1 381 ASN 381 381 381 ASN ASN A . n A 1 382 SER 382 382 382 SER SER A . n A 1 383 VAL 383 383 383 VAL VAL A . n A 1 384 ILE 384 384 384 ILE ILE A . n A 1 385 GLU 385 385 385 GLU GLU A . n A 1 386 VAL 386 386 386 VAL VAL A . n A 1 387 ALA 387 387 387 ALA ALA A . n A 1 388 LEU 388 388 388 LEU LEU A . n A 1 389 PRO 389 389 389 PRO PRO A . n A 1 390 ALA 390 390 390 ALA ALA A . n A 1 391 GLY 391 391 391 GLY GLY A . n A 1 392 ALA 392 392 392 ALA ALA A . n A 1 393 ALA 393 393 393 ALA ALA A . n A 1 394 GLY 394 394 394 GLY GLY A . n A 1 395 GLY 395 395 395 GLY GLY A . n A 1 396 PRO 396 396 396 PRO PRO A . n A 1 397 HIS 397 397 397 HIS HIS A . n A 1 398 PRO 398 398 398 PRO PRO A . n A 1 399 PHE 399 399 399 PHE PHE A . n A 1 400 HIS 400 400 400 HIS HIS A . n A 1 401 LEU 401 401 401 LEU LEU A . n A 1 402 HIS 402 402 402 HIS HIS A . n A 1 403 GLY 403 403 403 GLY GLY A . n A 1 404 HIS 404 404 404 HIS HIS A . n A 1 405 ASN 405 405 405 ASN ASN A . n A 1 406 PHE 406 406 406 PHE PHE A . n A 1 407 ALA 407 407 407 ALA ALA A . n A 1 408 VAL 408 408 408 VAL VAL A . n A 1 409 VAL 409 409 409 VAL VAL A . n A 1 410 GLN 410 410 410 GLN GLN A . n A 1 411 SER 411 411 411 SER SER A . n A 1 412 ALA 412 412 412 ALA ALA A . n A 1 413 ASN 413 413 413 ASN ASN A . n A 1 414 ASN 414 414 414 ASN ASN A . n A 1 415 ALA 415 415 415 ALA ALA A . n A 1 416 THR 416 416 416 THR THR A . n A 1 417 PRO 417 417 417 PRO PRO A . n A 1 418 ASN 418 418 418 ASN ASN A . n A 1 419 TYR 419 419 419 TYR TYR A . n A 1 420 VAL 420 420 420 VAL VAL A . n A 1 421 ASN 421 421 421 ASN ASN A . n A 1 422 PRO 422 422 422 PRO PRO A . n A 1 423 ILE 423 423 423 ILE ILE A . n A 1 424 TRP 424 424 424 TRP TRP A . n A 1 425 ARG 425 425 425 ARG ARG A . n A 1 426 ASP 426 426 426 ASP ASP A . n A 1 427 THR 427 427 427 THR THR A . n A 1 428 VAL 428 428 428 VAL VAL A . n A 1 429 SER 429 429 429 SER SER A . n A 1 430 ILE 430 430 430 ILE ILE A . n A 1 431 GLY 431 431 431 GLY GLY A . n A 1 432 GLY 432 432 432 GLY GLY A . n A 1 433 THR 433 433 433 THR THR A . n A 1 434 GLY 434 434 434 GLY GLY A . n A 1 435 ASP 435 435 435 ASP ASP A . n A 1 436 ASN 436 436 436 ASN ASN A . n A 1 437 VAL 437 437 437 VAL VAL A . n A 1 438 THR 438 438 438 THR THR A . n A 1 439 ILE 439 439 439 ILE ILE A . n A 1 440 ARG 440 440 440 ARG ARG A . n A 1 441 PHE 441 441 441 PHE PHE A . n A 1 442 THR 442 442 442 THR THR A . n A 1 443 THR 443 443 443 THR THR A . n A 1 444 ASN 444 444 444 ASN ASN A . n A 1 445 ASN 445 445 445 ASN ASN A . n A 1 446 PRO 446 446 446 PRO PRO A . n A 1 447 GLY 447 447 447 GLY GLY A . n A 1 448 PRO 448 448 448 PRO PRO A . n A 1 449 TRP 449 449 449 TRP TRP A . n A 1 450 PHE 450 450 450 PHE PHE A . n A 1 451 LEU 451 451 451 LEU LEU A . n A 1 452 HIS 452 452 452 HIS HIS A . n A 1 453 CYS 453 453 453 CYS CYS A . n A 1 454 HIS 454 454 454 HIS HIS A . n A 1 455 ILE 455 455 455 ILE ILE A . n A 1 456 ASP 456 456 456 ASP ASP A . n A 1 457 TRP 457 457 457 TRP TRP A . n A 1 458 HIS 458 458 458 HIS HIS A . n A 1 459 LEU 459 459 459 LEU LEU A . n A 1 460 GLU 460 460 460 GLU GLU A . n A 1 461 ALA 461 461 461 ALA ALA A . n A 1 462 GLY 462 462 462 GLY GLY A . n A 1 463 PHE 463 463 463 PHE PHE A . n A 1 464 ALA 464 464 464 ALA ALA A . n A 1 465 ILE 465 465 465 ILE ILE A . n A 1 466 VAL 466 466 466 VAL VAL A . n A 1 467 PHE 467 467 467 PHE PHE A . n A 1 468 ALA 468 468 468 ALA ALA A . n A 1 469 GLU 469 469 469 GLU GLU A . n A 1 470 ASP 470 470 470 ASP ASP A . n A 1 471 ILE 471 471 471 ILE ILE A . n A 1 472 PRO 472 472 472 PRO PRO A . n A 1 473 ASP 473 473 473 ASP ASP A . n A 1 474 THR 474 474 474 THR THR A . n A 1 475 ALA 475 475 475 ALA ALA A . n A 1 476 SER 476 476 476 SER SER A . n A 1 477 ALA 477 477 477 ALA ALA A . n A 1 478 ASN 478 478 478 ASN ASN A . n A 1 479 PRO 479 479 479 PRO PRO A . n A 1 480 VAL 480 480 480 VAL VAL A . n A 1 481 PRO 481 481 481 PRO PRO A . n A 1 482 GLN 482 482 482 GLN GLN A . n A 1 483 ALA 483 483 483 ALA ALA A . n A 1 484 TRP 484 484 484 TRP TRP A . n A 1 485 SER 485 485 485 SER SER A . n A 1 486 ASP 486 486 486 ASP ASP A . n A 1 487 LEU 487 487 487 LEU LEU A . n A 1 488 CYS 488 488 488 CYS CYS A . n A 1 489 PRO 489 489 489 PRO PRO A . n A 1 490 ALA 490 490 490 ALA ALA A . n A 1 491 TYR 491 491 491 TYR TYR A . n A 1 492 ASP 492 492 492 ASP ASP A . n A 1 493 GLN 493 493 493 GLN GLN A . n A 1 494 ALA 494 494 494 ALA ALA A . n A 1 495 HIS 495 495 495 HIS HIS A . n A 1 496 ASN 496 496 ? ? ? A . n A 1 497 ILE 497 497 ? ? ? A . n A 1 498 SER 498 498 ? ? ? A . n A 1 499 THR 499 499 ? ? ? A . n A 1 500 ALA 500 500 ? ? ? A . n A 1 501 THR 501 501 ? ? ? A . n A 1 502 ARG 502 502 ? ? ? A . n A 1 503 GLN 503 503 ? ? ? A . n A 1 504 ASP 504 504 ? ? ? A . n A 1 505 PHE 505 505 ? ? ? A . n A 1 506 GLN 506 506 ? ? ? A . n A 1 507 ILE 507 507 ? ? ? A . n A 1 508 LEU 508 508 ? ? ? A . n A 1 509 CYS 509 509 ? ? ? A . n A 1 510 ILE 510 510 ? ? ? A . n A 1 511 CYS 511 511 ? ? ? A . n A 1 512 GLY 512 512 ? ? ? A . n A 1 513 ILE 513 513 ? ? ? A . n A 1 514 LEU 514 514 ? ? ? A . n A 1 515 HIS 515 515 ? ? ? A . n A 1 516 VAL 516 516 ? ? ? A . n A 1 517 ASN 517 517 ? ? ? A . n A 1 518 PHE 518 518 ? ? ? A . n A 1 519 ARG 519 519 ? ? ? A . n A 1 520 GLN 520 520 ? ? ? A . n A 1 521 GLU 521 521 ? ? ? A . n A 1 522 GLU 522 522 ? ? ? A . n A 1 523 ARG 523 523 ? ? ? A . n A 1 524 CYS 524 524 ? ? ? A . n A 1 525 GLY 525 525 ? ? ? A . n A 1 526 ILE 526 526 ? ? ? A . n A 1 527 SER 527 527 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 CU 1 601 1500 CU CU A . C 2 CU 1 602 1501 CU CU A . D 2 CU 1 603 1502 CU CU A . E 2 CU 1 604 1503 CU CU A . F 3 NA 1 605 1504 NA NA A . G 4 NAG 1 606 1510 NAG NAG A . H 4 NAG 2 607 1513 NAG NAG A . I 4 NAG 1 608 1511 NAG NAG A . J 4 NAG 2 609 1512 NAG NAG A . K 5 PG6 1 610 1 PG6 PG6 A . L 5 PG6 1 611 2 PG6 PG6 A . M 6 HOH 1 701 701 HOH HOH A . M 6 HOH 2 702 702 HOH HOH A . M 6 HOH 3 703 593 HOH HOH A . M 6 HOH 4 704 678 HOH HOH A . M 6 HOH 5 705 577 HOH HOH A . M 6 HOH 6 706 513 HOH HOH A . M 6 HOH 7 707 624 HOH HOH A . M 6 HOH 8 708 396 HOH HOH A . M 6 HOH 9 709 574 HOH HOH A . M 6 HOH 10 710 576 HOH HOH A . M 6 HOH 11 711 480 HOH HOH A . M 6 HOH 12 712 598 HOH HOH A . M 6 HOH 13 713 579 HOH HOH A . M 6 HOH 14 714 458 HOH HOH A . M 6 HOH 15 715 208 HOH HOH A . M 6 HOH 16 716 229 HOH HOH A . M 6 HOH 17 717 356 HOH HOH A . M 6 HOH 18 718 449 HOH HOH A . M 6 HOH 19 719 586 HOH HOH A . M 6 HOH 20 720 697 HOH HOH A . M 6 HOH 21 721 475 HOH HOH A . M 6 HOH 22 722 472 HOH HOH A . M 6 HOH 23 723 476 HOH HOH A . M 6 HOH 24 724 486 HOH HOH A . M 6 HOH 25 725 595 HOH HOH A . M 6 HOH 26 726 275 HOH HOH A . M 6 HOH 27 727 399 HOH HOH A . M 6 HOH 28 728 225 HOH HOH A . M 6 HOH 29 729 657 HOH HOH A . M 6 HOH 30 730 173 HOH HOH A . M 6 HOH 31 731 252 HOH HOH A . M 6 HOH 32 732 663 HOH HOH A . M 6 HOH 33 733 454 HOH HOH A . M 6 HOH 34 734 408 HOH HOH A . M 6 HOH 35 735 379 HOH HOH A . M 6 HOH 36 736 622 HOH HOH A . M 6 HOH 37 737 7 HOH HOH A . M 6 HOH 38 738 546 HOH HOH A . M 6 HOH 39 739 597 HOH HOH A . M 6 HOH 40 740 585 HOH HOH A . M 6 HOH 41 741 289 HOH HOH A . M 6 HOH 42 742 193 HOH HOH A . M 6 HOH 43 743 572 HOH HOH A . M 6 HOH 44 744 718 HOH HOH A . M 6 HOH 45 745 644 HOH HOH A . M 6 HOH 46 746 49 HOH HOH A . M 6 HOH 47 747 165 HOH HOH A . M 6 HOH 48 748 214 HOH HOH A . M 6 HOH 49 749 301 HOH HOH A . M 6 HOH 50 750 555 HOH HOH A . M 6 HOH 51 751 164 HOH HOH A . M 6 HOH 52 752 97 HOH HOH A . M 6 HOH 53 753 45 HOH HOH A . M 6 HOH 54 754 142 HOH HOH A . M 6 HOH 55 755 167 HOH HOH A . M 6 HOH 56 756 601 HOH HOH A . M 6 HOH 57 757 367 HOH HOH A . M 6 HOH 58 758 375 HOH HOH A . M 6 HOH 59 759 656 HOH HOH A . M 6 HOH 60 760 13 HOH HOH A . M 6 HOH 61 761 51 HOH HOH A . M 6 HOH 62 762 402 HOH HOH A . M 6 HOH 63 763 6 HOH HOH A . M 6 HOH 64 764 709 HOH HOH A . M 6 HOH 65 765 463 HOH HOH A . M 6 HOH 66 766 122 HOH HOH A . M 6 HOH 67 767 581 HOH HOH A . M 6 HOH 68 768 31 HOH HOH A . M 6 HOH 69 769 422 HOH HOH A . M 6 HOH 70 770 453 HOH HOH A . M 6 HOH 71 771 291 HOH HOH A . M 6 HOH 72 772 68 HOH HOH A . M 6 HOH 73 773 194 HOH HOH A . M 6 HOH 74 774 233 HOH HOH A . M 6 HOH 75 775 505 HOH HOH A . M 6 HOH 76 776 5 HOH HOH A . M 6 HOH 77 777 22 HOH HOH A . M 6 HOH 78 778 620 HOH HOH A . M 6 HOH 79 779 527 HOH HOH A . M 6 HOH 80 780 53 HOH HOH A . M 6 HOH 81 781 727 HOH HOH A . M 6 HOH 82 782 24 HOH HOH A . M 6 HOH 83 783 441 HOH HOH A . M 6 HOH 84 784 148 HOH HOH A . M 6 HOH 85 785 404 HOH HOH A . M 6 HOH 86 786 377 HOH HOH A . M 6 HOH 87 787 632 HOH HOH A . M 6 HOH 88 788 346 HOH HOH A . M 6 HOH 89 789 526 HOH HOH A . M 6 HOH 90 790 621 HOH HOH A . M 6 HOH 91 791 545 HOH HOH A . M 6 HOH 92 792 409 HOH HOH A . M 6 HOH 93 793 84 HOH HOH A . M 6 HOH 94 794 16 HOH HOH A . M 6 HOH 95 795 728 HOH HOH A . M 6 HOH 96 796 101 HOH HOH A . M 6 HOH 97 797 676 HOH HOH A . M 6 HOH 98 798 303 HOH HOH A . M 6 HOH 99 799 360 HOH HOH A . M 6 HOH 100 800 168 HOH HOH A . M 6 HOH 101 801 186 HOH HOH A . M 6 HOH 102 802 393 HOH HOH A . M 6 HOH 103 803 371 HOH HOH A . M 6 HOH 104 804 94 HOH HOH A . M 6 HOH 105 805 75 HOH HOH A . M 6 HOH 106 806 364 HOH HOH A . M 6 HOH 107 807 434 HOH HOH A . M 6 HOH 108 808 662 HOH HOH A . M 6 HOH 109 809 134 HOH HOH A . M 6 HOH 110 810 467 HOH HOH A . M 6 HOH 111 811 163 HOH HOH A . M 6 HOH 112 812 155 HOH HOH A . M 6 HOH 113 813 304 HOH HOH A . M 6 HOH 114 814 184 HOH HOH A . M 6 HOH 115 815 251 HOH HOH A . M 6 HOH 116 816 188 HOH HOH A . M 6 HOH 117 817 400 HOH HOH A . M 6 HOH 118 818 110 HOH HOH A . M 6 HOH 119 819 136 HOH HOH A . M 6 HOH 120 820 277 HOH HOH A . M 6 HOH 121 821 625 HOH HOH A . M 6 HOH 122 822 23 HOH HOH A . M 6 HOH 123 823 8 HOH HOH A . M 6 HOH 124 824 358 HOH HOH A . M 6 HOH 125 825 292 HOH HOH A . M 6 HOH 126 826 113 HOH HOH A . M 6 HOH 127 827 48 HOH HOH A . M 6 HOH 128 828 236 HOH HOH A . M 6 HOH 129 829 262 HOH HOH A . M 6 HOH 130 830 115 HOH HOH A . M 6 HOH 131 831 112 HOH HOH A . M 6 HOH 132 832 351 HOH HOH A . M 6 HOH 133 833 348 HOH HOH A . M 6 HOH 134 834 319 HOH HOH A . M 6 HOH 135 835 398 HOH HOH A . M 6 HOH 136 836 179 HOH HOH A . M 6 HOH 137 837 419 HOH HOH A . M 6 HOH 138 838 550 HOH HOH A . M 6 HOH 139 839 470 HOH HOH A . M 6 HOH 140 840 619 HOH HOH A . M 6 HOH 141 841 680 HOH HOH A . M 6 HOH 142 842 55 HOH HOH A . M 6 HOH 143 843 158 HOH HOH A . M 6 HOH 144 844 2 HOH HOH A . M 6 HOH 145 845 175 HOH HOH A . M 6 HOH 146 846 69 HOH HOH A . M 6 HOH 147 847 246 HOH HOH A . M 6 HOH 148 848 118 HOH HOH A . M 6 HOH 149 849 253 HOH HOH A . M 6 HOH 150 850 25 HOH HOH A . M 6 HOH 151 851 1 HOH HOH A . M 6 HOH 152 852 496 HOH HOH A . M 6 HOH 153 853 410 HOH HOH A . M 6 HOH 154 854 362 HOH HOH A . M 6 HOH 155 855 509 HOH HOH A . M 6 HOH 156 856 119 HOH HOH A . M 6 HOH 157 857 417 HOH HOH A . M 6 HOH 158 858 50 HOH HOH A . M 6 HOH 159 859 144 HOH HOH A . M 6 HOH 160 860 98 HOH HOH A . M 6 HOH 161 861 378 HOH HOH A . M 6 HOH 162 862 256 HOH HOH A . M 6 HOH 163 863 191 HOH HOH A . M 6 HOH 164 864 502 HOH HOH A . M 6 HOH 165 865 324 HOH HOH A . M 6 HOH 166 866 44 HOH HOH A . M 6 HOH 167 867 334 HOH HOH A . M 6 HOH 168 868 95 HOH HOH A . M 6 HOH 169 869 37 HOH HOH A . M 6 HOH 170 870 77 HOH HOH A . M 6 HOH 171 871 30 HOH HOH A . M 6 HOH 172 872 3 HOH HOH A . M 6 HOH 173 873 266 HOH HOH A . M 6 HOH 174 874 129 HOH HOH A . M 6 HOH 175 875 40 HOH HOH A . M 6 HOH 176 876 102 HOH HOH A . M 6 HOH 177 877 279 HOH HOH A . M 6 HOH 178 878 652 HOH HOH A . M 6 HOH 179 879 368 HOH HOH A . M 6 HOH 180 880 78 HOH HOH A . M 6 HOH 181 881 124 HOH HOH A . M 6 HOH 182 882 90 HOH HOH A . M 6 HOH 183 883 343 HOH HOH A . M 6 HOH 184 884 63 HOH HOH A . M 6 HOH 185 885 464 HOH HOH A . M 6 HOH 186 886 54 HOH HOH A . M 6 HOH 187 887 133 HOH HOH A . M 6 HOH 188 888 504 HOH HOH A . M 6 HOH 189 889 46 HOH HOH A . M 6 HOH 190 890 207 HOH HOH A . M 6 HOH 191 891 245 HOH HOH A . M 6 HOH 192 892 671 HOH HOH A . M 6 HOH 193 893 32 HOH HOH A . M 6 HOH 194 894 503 HOH HOH A . M 6 HOH 195 895 88 HOH HOH A . M 6 HOH 196 896 323 HOH HOH A . M 6 HOH 197 897 83 HOH HOH A . M 6 HOH 198 898 176 HOH HOH A . M 6 HOH 199 899 120 HOH HOH A . M 6 HOH 200 900 278 HOH HOH A . M 6 HOH 201 901 533 HOH HOH A . M 6 HOH 202 902 151 HOH HOH A . M 6 HOH 203 903 47 HOH HOH A . M 6 HOH 204 904 543 HOH HOH A . M 6 HOH 205 905 706 HOH HOH A . M 6 HOH 206 906 516 HOH HOH A . M 6 HOH 207 907 114 HOH HOH A . M 6 HOH 208 908 80 HOH HOH A . M 6 HOH 209 909 353 HOH HOH A . M 6 HOH 210 910 147 HOH HOH A . M 6 HOH 211 911 627 HOH HOH A . M 6 HOH 212 912 187 HOH HOH A . M 6 HOH 213 913 423 HOH HOH A . M 6 HOH 214 914 153 HOH HOH A . M 6 HOH 215 915 128 HOH HOH A . M 6 HOH 216 916 314 HOH HOH A . M 6 HOH 217 917 232 HOH HOH A . M 6 HOH 218 918 310 HOH HOH A . M 6 HOH 219 919 320 HOH HOH A . M 6 HOH 220 920 28 HOH HOH A . M 6 HOH 221 921 169 HOH HOH A . M 6 HOH 222 922 70 HOH HOH A . M 6 HOH 223 923 571 HOH HOH A . M 6 HOH 224 924 230 HOH HOH A . M 6 HOH 225 925 64 HOH HOH A . M 6 HOH 226 926 591 HOH HOH A . M 6 HOH 227 927 199 HOH HOH A . M 6 HOH 228 928 203 HOH HOH A . M 6 HOH 229 929 531 HOH HOH A . M 6 HOH 230 930 327 HOH HOH A . M 6 HOH 231 931 231 HOH HOH A . M 6 HOH 232 932 156 HOH HOH A . M 6 HOH 233 933 493 HOH HOH A . M 6 HOH 234 934 666 HOH HOH A . M 6 HOH 235 935 271 HOH HOH A . M 6 HOH 236 936 26 HOH HOH A . M 6 HOH 237 937 512 HOH HOH A . M 6 HOH 238 938 109 HOH HOH A . M 6 HOH 239 939 349 HOH HOH A . M 6 HOH 240 940 29 HOH HOH A . M 6 HOH 241 941 427 HOH HOH A . M 6 HOH 242 942 192 HOH HOH A . M 6 HOH 243 943 416 HOH HOH A . M 6 HOH 244 944 174 HOH HOH A . M 6 HOH 245 945 235 HOH HOH A . M 6 HOH 246 946 365 HOH HOH A . M 6 HOH 247 947 710 HOH HOH A . M 6 HOH 248 948 221 HOH HOH A . M 6 HOH 249 949 380 HOH HOH A . M 6 HOH 250 950 14 HOH HOH A . M 6 HOH 251 951 366 HOH HOH A . M 6 HOH 252 952 542 HOH HOH A . M 6 HOH 253 953 259 HOH HOH A . M 6 HOH 254 954 719 HOH HOH A . M 6 HOH 255 955 34 HOH HOH A . M 6 HOH 256 956 280 HOH HOH A . M 6 HOH 257 957 329 HOH HOH A . M 6 HOH 258 958 242 HOH HOH A . M 6 HOH 259 959 311 HOH HOH A . M 6 HOH 260 960 211 HOH HOH A . M 6 HOH 261 961 85 HOH HOH A . M 6 HOH 262 962 499 HOH HOH A . M 6 HOH 263 963 411 HOH HOH A . M 6 HOH 264 964 35 HOH HOH A . M 6 HOH 265 965 268 HOH HOH A . M 6 HOH 266 966 15 HOH HOH A . M 6 HOH 267 967 196 HOH HOH A . M 6 HOH 268 968 306 HOH HOH A . M 6 HOH 269 969 209 HOH HOH A . M 6 HOH 270 970 381 HOH HOH A . M 6 HOH 271 971 222 HOH HOH A . M 6 HOH 272 972 590 HOH HOH A . M 6 HOH 273 973 67 HOH HOH A . M 6 HOH 274 974 547 HOH HOH A . M 6 HOH 275 975 143 HOH HOH A . M 6 HOH 276 976 384 HOH HOH A . M 6 HOH 277 977 578 HOH HOH A . M 6 HOH 278 978 494 HOH HOH A . M 6 HOH 279 979 729 HOH HOH A . M 6 HOH 280 980 247 HOH HOH A . M 6 HOH 281 981 274 HOH HOH A . M 6 HOH 282 982 540 HOH HOH A . M 6 HOH 283 983 561 HOH HOH A . M 6 HOH 284 984 651 HOH HOH A . M 6 HOH 285 985 206 HOH HOH A . M 6 HOH 286 986 532 HOH HOH A . M 6 HOH 287 987 631 HOH HOH A . M 6 HOH 288 988 91 HOH HOH A . M 6 HOH 289 989 424 HOH HOH A . M 6 HOH 290 990 160 HOH HOH A . M 6 HOH 291 991 42 HOH HOH A . M 6 HOH 292 992 172 HOH HOH A . M 6 HOH 293 993 190 HOH HOH A . M 6 HOH 294 994 635 HOH HOH A . M 6 HOH 295 995 9 HOH HOH A . M 6 HOH 296 996 468 HOH HOH A . M 6 HOH 297 997 305 HOH HOH A . M 6 HOH 298 998 185 HOH HOH A . M 6 HOH 299 999 395 HOH HOH A . M 6 HOH 300 1000 127 HOH HOH A . M 6 HOH 301 1001 707 HOH HOH A . M 6 HOH 302 1002 87 HOH HOH A . M 6 HOH 303 1003 33 HOH HOH A . M 6 HOH 304 1004 330 HOH HOH A . M 6 HOH 305 1005 690 HOH HOH A . M 6 HOH 306 1006 141 HOH HOH A . M 6 HOH 307 1007 525 HOH HOH A . M 6 HOH 308 1008 105 HOH HOH A . M 6 HOH 309 1009 66 HOH HOH A . M 6 HOH 310 1010 459 HOH HOH A . M 6 HOH 311 1011 354 HOH HOH A . M 6 HOH 312 1012 57 HOH HOH A . M 6 HOH 313 1013 161 HOH HOH A . M 6 HOH 314 1014 440 HOH HOH A . M 6 HOH 315 1015 195 HOH HOH A . M 6 HOH 316 1016 204 HOH HOH A . M 6 HOH 317 1017 41 HOH HOH A . M 6 HOH 318 1018 391 HOH HOH A . M 6 HOH 319 1019 79 HOH HOH A . M 6 HOH 320 1020 556 HOH HOH A . M 6 HOH 321 1021 580 HOH HOH A . M 6 HOH 322 1022 269 HOH HOH A . M 6 HOH 323 1023 272 HOH HOH A . M 6 HOH 324 1024 205 HOH HOH A . M 6 HOH 325 1025 18 HOH HOH A . M 6 HOH 326 1026 492 HOH HOH A . M 6 HOH 327 1027 659 HOH HOH A . M 6 HOH 328 1028 60 HOH HOH A . M 6 HOH 329 1029 89 HOH HOH A . M 6 HOH 330 1030 264 HOH HOH A . M 6 HOH 331 1031 11 HOH HOH A . M 6 HOH 332 1032 135 HOH HOH A . M 6 HOH 333 1033 202 HOH HOH A . M 6 HOH 334 1034 116 HOH HOH A . M 6 HOH 335 1035 92 HOH HOH A . M 6 HOH 336 1036 183 HOH HOH A . M 6 HOH 337 1037 108 HOH HOH A . M 6 HOH 338 1038 645 HOH HOH A . M 6 HOH 339 1039 337 HOH HOH A . M 6 HOH 340 1040 220 HOH HOH A . M 6 HOH 341 1041 325 HOH HOH A . M 6 HOH 342 1042 437 HOH HOH A . M 6 HOH 343 1043 294 HOH HOH A . M 6 HOH 344 1044 485 HOH HOH A . M 6 HOH 345 1045 157 HOH HOH A . M 6 HOH 346 1046 107 HOH HOH A . M 6 HOH 347 1047 170 HOH HOH A . M 6 HOH 348 1048 412 HOH HOH A . M 6 HOH 349 1049 730 HOH HOH A . M 6 HOH 350 1050 73 HOH HOH A . M 6 HOH 351 1051 86 HOH HOH A . M 6 HOH 352 1052 4 HOH HOH A . M 6 HOH 353 1053 374 HOH HOH A . M 6 HOH 354 1054 511 HOH HOH A . M 6 HOH 355 1055 389 HOH HOH A . M 6 HOH 356 1056 111 HOH HOH A . M 6 HOH 357 1057 425 HOH HOH A . M 6 HOH 358 1058 27 HOH HOH A . M 6 HOH 359 1059 421 HOH HOH A . M 6 HOH 360 1060 296 HOH HOH A . M 6 HOH 361 1061 159 HOH HOH A . M 6 HOH 362 1062 589 HOH HOH A . M 6 HOH 363 1063 413 HOH HOH A . M 6 HOH 364 1064 415 HOH HOH A . M 6 HOH 365 1065 704 HOH HOH A . M 6 HOH 366 1066 267 HOH HOH A . M 6 HOH 367 1067 385 HOH HOH A . M 6 HOH 368 1068 331 HOH HOH A . M 6 HOH 369 1069 130 HOH HOH A . M 6 HOH 370 1070 713 HOH HOH A . M 6 HOH 371 1071 487 HOH HOH A . M 6 HOH 372 1072 443 HOH HOH A . M 6 HOH 373 1073 131 HOH HOH A . M 6 HOH 374 1074 592 HOH HOH A . M 6 HOH 375 1075 38 HOH HOH A . M 6 HOH 376 1076 106 HOH HOH A . M 6 HOH 377 1077 700 HOH HOH A . M 6 HOH 378 1078 299 HOH HOH A . M 6 HOH 379 1079 20 HOH HOH A . M 6 HOH 380 1080 340 HOH HOH A . M 6 HOH 381 1081 342 HOH HOH A . M 6 HOH 382 1082 488 HOH HOH A . M 6 HOH 383 1083 322 HOH HOH A . M 6 HOH 384 1084 328 HOH HOH A . M 6 HOH 385 1085 152 HOH HOH A . M 6 HOH 386 1086 361 HOH HOH A . M 6 HOH 387 1087 12 HOH HOH A . M 6 HOH 388 1088 234 HOH HOH A . M 6 HOH 389 1089 154 HOH HOH A . M 6 HOH 390 1090 181 HOH HOH A . M 6 HOH 391 1091 258 HOH HOH A . M 6 HOH 392 1092 444 HOH HOH A . M 6 HOH 393 1093 249 HOH HOH A . M 6 HOH 394 1094 250 HOH HOH A . M 6 HOH 395 1095 62 HOH HOH A . M 6 HOH 396 1096 19 HOH HOH A . M 6 HOH 397 1097 442 HOH HOH A . M 6 HOH 398 1098 648 HOH HOH A . M 6 HOH 399 1099 667 HOH HOH A . M 6 HOH 400 1100 59 HOH HOH A . M 6 HOH 401 1101 344 HOH HOH A . M 6 HOH 402 1102 218 HOH HOH A . M 6 HOH 403 1103 541 HOH HOH A . M 6 HOH 404 1104 660 HOH HOH A . M 6 HOH 405 1105 10 HOH HOH A . M 6 HOH 406 1106 243 HOH HOH A . M 6 HOH 407 1107 58 HOH HOH A . M 6 HOH 408 1108 285 HOH HOH A . M 6 HOH 409 1109 539 HOH HOH A . M 6 HOH 410 1110 616 HOH HOH A . M 6 HOH 411 1111 223 HOH HOH A . M 6 HOH 412 1112 276 HOH HOH A . M 6 HOH 413 1113 372 HOH HOH A . M 6 HOH 414 1114 121 HOH HOH A . M 6 HOH 415 1115 140 HOH HOH A . M 6 HOH 416 1116 99 HOH HOH A . M 6 HOH 417 1117 357 HOH HOH A . M 6 HOH 418 1118 237 HOH HOH A . M 6 HOH 419 1119 286 HOH HOH A . M 6 HOH 420 1120 414 HOH HOH A . M 6 HOH 421 1121 39 HOH HOH A . M 6 HOH 422 1122 655 HOH HOH A . M 6 HOH 423 1123 290 HOH HOH A . M 6 HOH 424 1124 403 HOH HOH A . M 6 HOH 425 1125 469 HOH HOH A . M 6 HOH 426 1126 315 HOH HOH A . M 6 HOH 427 1127 725 HOH HOH A . M 6 HOH 428 1128 180 HOH HOH A . M 6 HOH 429 1129 363 HOH HOH A . M 6 HOH 430 1130 630 HOH HOH A . M 6 HOH 431 1131 439 HOH HOH A . M 6 HOH 432 1132 261 HOH HOH A . M 6 HOH 433 1133 43 HOH HOH A . M 6 HOH 434 1134 583 HOH HOH A . M 6 HOH 435 1135 287 HOH HOH A . M 6 HOH 436 1136 257 HOH HOH A . M 6 HOH 437 1137 81 HOH HOH A . M 6 HOH 438 1138 641 HOH HOH A . M 6 HOH 439 1139 137 HOH HOH A . M 6 HOH 440 1140 617 HOH HOH A . M 6 HOH 441 1141 338 HOH HOH A . M 6 HOH 442 1142 244 HOH HOH A . M 6 HOH 443 1143 100 HOH HOH A . M 6 HOH 444 1144 436 HOH HOH A . M 6 HOH 445 1145 162 HOH HOH A . M 6 HOH 446 1146 125 HOH HOH A . M 6 HOH 447 1147 52 HOH HOH A . M 6 HOH 448 1148 433 HOH HOH A . M 6 HOH 449 1149 490 HOH HOH A . M 6 HOH 450 1150 594 HOH HOH A . M 6 HOH 451 1151 687 HOH HOH A . M 6 HOH 452 1152 238 HOH HOH A . M 6 HOH 453 1153 295 HOH HOH A . M 6 HOH 454 1154 198 HOH HOH A . M 6 HOH 455 1155 132 HOH HOH A . M 6 HOH 456 1156 228 HOH HOH A . M 6 HOH 457 1157 514 HOH HOH A . M 6 HOH 458 1158 65 HOH HOH A . M 6 HOH 459 1159 71 HOH HOH A . M 6 HOH 460 1160 248 HOH HOH A . M 6 HOH 461 1161 93 HOH HOH A . M 6 HOH 462 1162 647 HOH HOH A . M 6 HOH 463 1163 604 HOH HOH A . M 6 HOH 464 1164 150 HOH HOH A . M 6 HOH 465 1165 507 HOH HOH A . M 6 HOH 466 1166 56 HOH HOH A . M 6 HOH 467 1167 300 HOH HOH A . M 6 HOH 468 1168 201 HOH HOH A . M 6 HOH 469 1169 336 HOH HOH A . M 6 HOH 470 1170 139 HOH HOH A . M 6 HOH 471 1171 508 HOH HOH A . M 6 HOH 472 1172 720 HOH HOH A . M 6 HOH 473 1173 227 HOH HOH A . M 6 HOH 474 1174 138 HOH HOH A . M 6 HOH 475 1175 17 HOH HOH A . M 6 HOH 476 1176 263 HOH HOH A . M 6 HOH 477 1177 462 HOH HOH A . M 6 HOH 478 1178 607 HOH HOH A . M 6 HOH 479 1179 36 HOH HOH A . M 6 HOH 480 1180 293 HOH HOH A . M 6 HOH 481 1181 567 HOH HOH A . M 6 HOH 482 1182 265 HOH HOH A . M 6 HOH 483 1183 672 HOH HOH A . M 6 HOH 484 1184 664 HOH HOH A . M 6 HOH 485 1185 288 HOH HOH A . M 6 HOH 486 1186 668 HOH HOH A . M 6 HOH 487 1187 677 HOH HOH A . M 6 HOH 488 1188 562 HOH HOH A . M 6 HOH 489 1189 569 HOH HOH A . M 6 HOH 490 1190 61 HOH HOH A . M 6 HOH 491 1191 407 HOH HOH A . M 6 HOH 492 1192 661 HOH HOH A . M 6 HOH 493 1193 613 HOH HOH A . M 6 HOH 494 1194 628 HOH HOH A . M 6 HOH 495 1195 518 HOH HOH A . M 6 HOH 496 1196 345 HOH HOH A . M 6 HOH 497 1197 282 HOH HOH A . M 6 HOH 498 1198 254 HOH HOH A . M 6 HOH 499 1199 350 HOH HOH A . M 6 HOH 500 1200 126 HOH HOH A . M 6 HOH 501 1201 568 HOH HOH A . M 6 HOH 502 1202 500 HOH HOH A . M 6 HOH 503 1203 432 HOH HOH A . M 6 HOH 504 1204 149 HOH HOH A . M 6 HOH 505 1205 420 HOH HOH A . M 6 HOH 506 1206 534 HOH HOH A . M 6 HOH 507 1207 281 HOH HOH A . M 6 HOH 508 1208 428 HOH HOH A . M 6 HOH 509 1209 401 HOH HOH A . M 6 HOH 510 1210 451 HOH HOH A . M 6 HOH 511 1211 21 HOH HOH A . M 6 HOH 512 1212 705 HOH HOH A . M 6 HOH 513 1213 302 HOH HOH A . M 6 HOH 514 1214 146 HOH HOH A . M 6 HOH 515 1215 473 HOH HOH A . M 6 HOH 516 1216 166 HOH HOH A . M 6 HOH 517 1217 429 HOH HOH A . M 6 HOH 518 1218 406 HOH HOH A . M 6 HOH 519 1219 633 HOH HOH A . M 6 HOH 520 1220 714 HOH HOH A . M 6 HOH 521 1221 491 HOH HOH A . M 6 HOH 522 1222 308 HOH HOH A . M 6 HOH 523 1223 418 HOH HOH A . M 6 HOH 524 1224 605 HOH HOH A . M 6 HOH 525 1225 703 HOH HOH A . M 6 HOH 526 1226 517 HOH HOH A . M 6 HOH 527 1227 717 HOH HOH A . M 6 HOH 528 1228 388 HOH HOH A . M 6 HOH 529 1229 117 HOH HOH A . M 6 HOH 530 1230 394 HOH HOH A . M 6 HOH 531 1231 722 HOH HOH A . M 6 HOH 532 1232 217 HOH HOH A . M 6 HOH 533 1233 684 HOH HOH A . M 6 HOH 534 1234 483 HOH HOH A . M 6 HOH 535 1235 489 HOH HOH A . M 6 HOH 536 1236 479 HOH HOH A . M 6 HOH 537 1237 397 HOH HOH A . M 6 HOH 538 1238 178 HOH HOH A . M 6 HOH 539 1239 608 HOH HOH A . M 6 HOH 540 1240 636 HOH HOH A . M 6 HOH 541 1241 599 HOH HOH A . M 6 HOH 542 1242 498 HOH HOH A . M 6 HOH 543 1243 482 HOH HOH A . M 6 HOH 544 1244 726 HOH HOH A . M 6 HOH 545 1245 326 HOH HOH A . M 6 HOH 546 1246 484 HOH HOH A . M 6 HOH 547 1247 642 HOH HOH A . M 6 HOH 548 1248 548 HOH HOH A . M 6 HOH 549 1249 382 HOH HOH A . M 6 HOH 550 1250 339 HOH HOH A . M 6 HOH 551 1251 612 HOH HOH A . M 6 HOH 552 1252 457 HOH HOH A . M 6 HOH 553 1253 212 HOH HOH A . M 6 HOH 554 1254 390 HOH HOH A . M 6 HOH 555 1255 549 HOH HOH A . M 6 HOH 556 1256 640 HOH HOH A . M 6 HOH 557 1257 530 HOH HOH A . M 6 HOH 558 1258 200 HOH HOH A . M 6 HOH 559 1259 312 HOH HOH A . M 6 HOH 560 1260 708 HOH HOH A . M 6 HOH 561 1261 563 HOH HOH A . M 6 HOH 562 1262 552 HOH HOH A . M 6 HOH 563 1263 123 HOH HOH A . M 6 HOH 564 1264 519 HOH HOH A . M 6 HOH 565 1265 606 HOH HOH A . M 6 HOH 566 1266 694 HOH HOH A . M 6 HOH 567 1267 465 HOH HOH A . M 6 HOH 568 1268 689 HOH HOH A . M 6 HOH 569 1269 355 HOH HOH A . M 6 HOH 570 1270 210 HOH HOH A . M 6 HOH 571 1271 510 HOH HOH A . M 6 HOH 572 1272 335 HOH HOH A . M 6 HOH 573 1273 270 HOH HOH A . M 6 HOH 574 1274 609 HOH HOH A . M 6 HOH 575 1275 658 HOH HOH A . M 6 HOH 576 1276 670 HOH HOH A . M 6 HOH 577 1277 96 HOH HOH A . M 6 HOH 578 1278 446 HOH HOH A . M 6 HOH 579 1279 682 HOH HOH A . M 6 HOH 580 1280 566 HOH HOH A . M 6 HOH 581 1281 588 HOH HOH A . M 6 HOH 582 1282 309 HOH HOH A . M 6 HOH 583 1283 438 HOH HOH A . M 6 HOH 584 1284 455 HOH HOH A . M 6 HOH 585 1285 383 HOH HOH A . M 6 HOH 586 1286 219 HOH HOH A . M 6 HOH 587 1287 650 HOH HOH A . M 6 HOH 588 1288 522 HOH HOH A . M 6 HOH 589 1289 614 HOH HOH A . M 6 HOH 590 1290 535 HOH HOH A . M 6 HOH 591 1291 536 HOH HOH A . M 6 HOH 592 1292 72 HOH HOH A . M 6 HOH 593 1293 653 HOH HOH A . M 6 HOH 594 1294 626 HOH HOH A . M 6 HOH 595 1295 699 HOH HOH A . M 6 HOH 596 1296 639 HOH HOH A . M 6 HOH 597 1297 481 HOH HOH A . M 6 HOH 598 1298 215 HOH HOH A . M 6 HOH 599 1299 239 HOH HOH A . M 6 HOH 600 1300 373 HOH HOH A . M 6 HOH 601 1301 673 HOH HOH A . M 6 HOH 602 1302 298 HOH HOH A . M 6 HOH 603 1303 226 HOH HOH A . M 6 HOH 604 1304 145 HOH HOH A . M 6 HOH 605 1305 688 HOH HOH A . M 6 HOH 606 1306 333 HOH HOH A . M 6 HOH 607 1307 447 HOH HOH A . M 6 HOH 608 1308 392 HOH HOH A . M 6 HOH 609 1309 538 HOH HOH A . M 6 HOH 610 1310 213 HOH HOH A . M 6 HOH 611 1311 466 HOH HOH A . M 6 HOH 612 1312 711 HOH HOH A . M 6 HOH 613 1313 405 HOH HOH A . M 6 HOH 614 1314 615 HOH HOH A . M 6 HOH 615 1315 600 HOH HOH A . M 6 HOH 616 1316 596 HOH HOH A . M 6 HOH 617 1317 696 HOH HOH A . M 6 HOH 618 1318 520 HOH HOH A . M 6 HOH 619 1319 450 HOH HOH A . M 6 HOH 620 1320 318 HOH HOH A . M 6 HOH 621 1321 506 HOH HOH A . M 6 HOH 622 1322 683 HOH HOH A . M 6 HOH 623 1323 691 HOH HOH A . M 6 HOH 624 1324 74 HOH HOH A . M 6 HOH 625 1325 554 HOH HOH A . M 6 HOH 626 1326 692 HOH HOH A . M 6 HOH 627 1327 573 HOH HOH A . M 6 HOH 628 1328 679 HOH HOH A . M 6 HOH 629 1329 460 HOH HOH A . M 6 HOH 630 1330 283 HOH HOH A . M 6 HOH 631 1331 431 HOH HOH A . M 6 HOH 632 1332 623 HOH HOH A . M 6 HOH 633 1333 529 HOH HOH A . M 6 HOH 634 1334 284 HOH HOH A . M 6 HOH 635 1335 387 HOH HOH A . M 6 HOH 636 1336 524 HOH HOH A . M 6 HOH 637 1337 76 HOH HOH A . M 6 HOH 638 1338 316 HOH HOH A . M 6 HOH 639 1339 445 HOH HOH A . M 6 HOH 640 1340 675 HOH HOH A . M 6 HOH 641 1341 721 HOH HOH A . M 6 HOH 642 1342 341 HOH HOH A . M 6 HOH 643 1343 681 HOH HOH A . M 6 HOH 644 1344 560 HOH HOH A . M 6 HOH 645 1345 224 HOH HOH A . M 6 HOH 646 1346 426 HOH HOH A . M 6 HOH 647 1347 82 HOH HOH A . M 6 HOH 648 1348 369 HOH HOH A . M 6 HOH 649 1349 241 HOH HOH A . M 6 HOH 650 1350 515 HOH HOH A . M 6 HOH 651 1351 558 HOH HOH A . M 6 HOH 652 1352 171 HOH HOH A . M 6 HOH 653 1353 584 HOH HOH A . M 6 HOH 654 1354 638 HOH HOH A . M 6 HOH 655 1355 497 HOH HOH A . M 6 HOH 656 1356 544 HOH HOH A . M 6 HOH 657 1357 724 HOH HOH A . M 6 HOH 658 1358 452 HOH HOH A . M 6 HOH 659 1359 570 HOH HOH A . M 6 HOH 660 1360 712 HOH HOH A . M 6 HOH 661 1361 332 HOH HOH A . M 6 HOH 662 1362 575 HOH HOH A . M 6 HOH 663 1363 537 HOH HOH A . M 6 HOH 664 1364 602 HOH HOH A . M 6 HOH 665 1365 177 HOH HOH A . M 6 HOH 666 1366 603 HOH HOH A . M 6 HOH 667 1367 240 HOH HOH A . M 6 HOH 668 1368 553 HOH HOH A . M 6 HOH 669 1369 386 HOH HOH A . M 6 HOH 670 1370 521 HOH HOH A . M 6 HOH 671 1371 471 HOH HOH A . M 6 HOH 672 1372 723 HOH HOH A . M 6 HOH 673 1373 347 HOH HOH A . M 6 HOH 674 1374 461 HOH HOH A . M 6 HOH 675 1375 731 HOH HOH A . M 6 HOH 676 1376 693 HOH HOH A . M 6 HOH 677 1377 370 HOH HOH A . M 6 HOH 678 1378 352 HOH HOH A . M 6 HOH 679 1379 565 HOH HOH A . M 6 HOH 680 1380 297 HOH HOH A . M 6 HOH 681 1381 260 HOH HOH A . M 6 HOH 682 1382 665 HOH HOH A . M 6 HOH 683 1383 189 HOH HOH A . M 6 HOH 684 1384 528 HOH HOH A . M 6 HOH 685 1385 582 HOH HOH A . M 6 HOH 686 1386 523 HOH HOH A . M 6 HOH 687 1387 456 HOH HOH A . M 6 HOH 688 1388 686 HOH HOH A . M 6 HOH 689 1389 698 HOH HOH A . M 6 HOH 690 1390 564 HOH HOH A . M 6 HOH 691 1391 182 HOH HOH A . M 6 HOH 692 1392 495 HOH HOH A . M 6 HOH 693 1393 611 HOH HOH A . M 6 HOH 694 1394 629 HOH HOH A . M 6 HOH 695 1395 448 HOH HOH A . M 6 HOH 696 1396 216 HOH HOH A . M 6 HOH 697 1397 649 HOH HOH A . M 6 HOH 698 1398 557 HOH HOH A . M 6 HOH 699 1399 430 HOH HOH A . M 6 HOH 700 1400 559 HOH HOH A . M 6 HOH 701 1401 618 HOH HOH A . M 6 HOH 702 1402 103 HOH HOH A . M 6 HOH 703 1403 104 HOH HOH A . M 6 HOH 704 1404 376 HOH HOH A . M 6 HOH 705 1405 359 HOH HOH A . M 6 HOH 706 1406 695 HOH HOH A . M 6 HOH 707 1407 654 HOH HOH A . M 6 HOH 708 1408 501 HOH HOH A . M 6 HOH 709 1409 273 HOH HOH A . M 6 HOH 710 1410 646 HOH HOH A . M 6 HOH 711 1411 255 HOH HOH A . M 6 HOH 712 1412 685 HOH HOH A . M 6 HOH 713 1413 197 HOH HOH A . M 6 HOH 714 1414 610 HOH HOH A . M 6 HOH 715 1415 474 HOH HOH A . M 6 HOH 716 1416 313 HOH HOH A . M 6 HOH 717 1417 321 HOH HOH A . M 6 HOH 718 1418 674 HOH HOH A . M 6 HOH 719 1419 587 HOH HOH A . M 6 HOH 720 1420 477 HOH HOH A . M 6 HOH 721 1421 478 HOH HOH A . M 6 HOH 722 1422 715 HOH HOH A . M 6 HOH 723 1423 317 HOH HOH A . M 6 HOH 724 1424 637 HOH HOH A . M 6 HOH 725 1425 634 HOH HOH A . M 6 HOH 726 1426 643 HOH HOH A . M 6 HOH 727 1427 716 HOH HOH A . M 6 HOH 728 1428 551 HOH HOH A . M 6 HOH 729 1429 435 HOH HOH A . M 6 HOH 730 1430 307 HOH HOH A . M 6 HOH 731 1431 669 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 G NAG ? A NAG 606 ? NAG -D 2 I NAG ? A NAG 608 ? NAG -D 3 J NAG ? A NAG 609 ? NAG -D 4 H NAG ? A NAG 607 ? NAG -D # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 2020 ? 1 MORE -5 ? 1 'SSA (A^2)' 17480 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 NE2 ? A HIS 65 ? A HIS 65 ? 1_555 CU ? D CU . ? A CU 603 ? 1_555 NE2 ? A HIS 400 ? A HIS 400 ? 1_555 168.8 ? 2 NE2 ? A HIS 65 ? A HIS 65 ? 1_555 CU ? D CU . ? A CU 603 ? 1_555 O ? M HOH . ? A HOH 996 ? 1_555 94.7 ? 3 NE2 ? A HIS 400 ? A HIS 400 ? 1_555 CU ? D CU . ? A CU 603 ? 1_555 O ? M HOH . ? A HOH 996 ? 1_555 96.4 ? 4 ND1 ? A HIS 67 ? A HIS 67 ? 1_555 CU B C CU . ? A CU 602 ? 1_555 NE2 ? A HIS 110 ? A HIS 110 ? 1_555 120.5 ? 5 ND1 ? A HIS 67 ? A HIS 67 ? 1_555 CU B C CU . ? A CU 602 ? 1_555 NE2 ? A HIS 454 ? A HIS 454 ? 1_555 103.3 ? 6 NE2 ? A HIS 110 ? A HIS 110 ? 1_555 CU B C CU . ? A CU 602 ? 1_555 NE2 ? A HIS 454 ? A HIS 454 ? 1_555 107.3 ? 7 ND1 ? A HIS 67 ? A HIS 67 ? 1_555 CU B C CU . ? A CU 602 ? 1_555 O ? M HOH . ? A HOH 1125 ? 1_555 129.3 ? 8 NE2 ? A HIS 110 ? A HIS 110 ? 1_555 CU B C CU . ? A CU 602 ? 1_555 O ? M HOH . ? A HOH 1125 ? 1_555 102.1 ? 9 NE2 ? A HIS 454 ? A HIS 454 ? 1_555 CU B C CU . ? A CU 602 ? 1_555 O ? M HOH . ? A HOH 1125 ? 1_555 87.4 ? 10 ND1 ? A HIS 67 ? A HIS 67 ? 1_555 CU A C CU . ? A CU 602 ? 1_555 NE2 ? A HIS 110 ? A HIS 110 ? 1_555 144.2 ? 11 ND1 ? A HIS 67 ? A HIS 67 ? 1_555 CU A C CU . ? A CU 602 ? 1_555 NE2 ? A HIS 454 ? A HIS 454 ? 1_555 108.6 ? 12 NE2 ? A HIS 110 ? A HIS 110 ? 1_555 CU A C CU . ? A CU 602 ? 1_555 NE2 ? A HIS 454 ? A HIS 454 ? 1_555 106.8 ? 13 NE2 ? A HIS 112 ? A HIS 112 ? 1_555 CU A B CU . ? A CU 601 ? 1_555 NE2 ? A HIS 402 ? A HIS 402 ? 1_555 110.8 ? 14 NE2 ? A HIS 112 ? A HIS 112 ? 1_555 CU A B CU . ? A CU 601 ? 1_555 NE2 ? A HIS 452 ? A HIS 452 ? 1_555 121.9 ? 15 NE2 ? A HIS 402 ? A HIS 402 ? 1_555 CU A B CU . ? A CU 601 ? 1_555 NE2 ? A HIS 452 ? A HIS 452 ? 1_555 125.6 ? 16 NE2 ? A HIS 112 ? A HIS 112 ? 1_555 CU A B CU . ? A CU 601 ? 1_555 O ? M HOH . ? A HOH 1125 ? 1_555 86.5 ? 17 NE2 ? A HIS 402 ? A HIS 402 ? 1_555 CU A B CU . ? A CU 601 ? 1_555 O ? M HOH . ? A HOH 1125 ? 1_555 100.8 ? 18 NE2 ? A HIS 452 ? A HIS 452 ? 1_555 CU A B CU . ? A CU 601 ? 1_555 O ? M HOH . ? A HOH 1125 ? 1_555 95.2 ? 19 NE2 ? A HIS 112 ? A HIS 112 ? 1_555 CU B B CU . ? A CU 601 ? 1_555 NE2 ? A HIS 402 ? A HIS 402 ? 1_555 100.9 ? 20 NE2 ? A HIS 112 ? A HIS 112 ? 1_555 CU B B CU . ? A CU 601 ? 1_555 NE2 ? A HIS 452 ? A HIS 452 ? 1_555 101.5 ? 21 NE2 ? A HIS 402 ? A HIS 402 ? 1_555 CU B B CU . ? A CU 601 ? 1_555 NE2 ? A HIS 452 ? A HIS 452 ? 1_555 107.8 ? 22 NE2 ? A HIS 112 ? A HIS 112 ? 1_555 CU B B CU . ? A CU 601 ? 1_555 O ? M HOH . ? A HOH 1125 ? 1_555 102.4 ? 23 NE2 ? A HIS 402 ? A HIS 402 ? 1_555 CU B B CU . ? A CU 601 ? 1_555 O ? M HOH . ? A HOH 1125 ? 1_555 130.1 ? 24 NE2 ? A HIS 452 ? A HIS 452 ? 1_555 CU B B CU . ? A CU 601 ? 1_555 O ? M HOH . ? A HOH 1125 ? 1_555 109.8 ? 25 O ? A VAL 317 ? A VAL 317 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 959 ? 1_555 85.8 ? 26 O ? A VAL 317 ? A VAL 317 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1243 ? 1_555 104.3 ? 27 O ? M HOH . ? A HOH 959 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1243 ? 1_555 89.2 ? 28 O ? A VAL 317 ? A VAL 317 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1144 ? 1_555 90.4 ? 29 O ? M HOH . ? A HOH 959 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1144 ? 1_555 174.9 ? 30 O ? M HOH . ? A HOH 1243 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1144 ? 1_555 88.6 ? 31 O ? A VAL 317 ? A VAL 317 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1390 ? 1_555 168.0 ? 32 O ? M HOH . ? A HOH 959 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1390 ? 1_555 89.6 ? 33 O ? M HOH . ? A HOH 1243 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1390 ? 1_555 86.7 ? 34 O ? M HOH . ? A HOH 1144 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1390 ? 1_555 94.7 ? 35 O ? A VAL 317 ? A VAL 317 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1171 ? 1_555 77.7 ? 36 O ? M HOH . ? A HOH 959 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1171 ? 1_555 94.6 ? 37 O ? M HOH . ? A HOH 1243 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1171 ? 1_555 175.9 ? 38 O ? M HOH . ? A HOH 1144 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1171 ? 1_555 87.8 ? 39 O ? M HOH . ? A HOH 1390 ? 1_555 NA ? F NA . ? A NA 605 ? 1_555 O ? M HOH . ? A HOH 1171 ? 1_555 91.6 ? 40 ND1 ? A HIS 397 ? A HIS 397 ? 1_555 CU ? E CU . ? A CU 604 ? 1_555 SG ? A CYS 453 ? A CYS 453 ? 1_555 123.5 ? 41 ND1 ? A HIS 397 ? A HIS 397 ? 1_555 CU ? E CU . ? A CU 604 ? 1_555 ND1 ? A HIS 458 ? A HIS 458 ? 1_555 104.6 ? 42 SG ? A CYS 453 ? A CYS 453 ? 1_555 CU ? E CU . ? A CU 604 ? 1_555 ND1 ? A HIS 458 ? A HIS 458 ? 1_555 131.6 ? # 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 2015-12-23 2 'Structure model' 1 1 2018-08-01 # _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' 'Data collection' 2 2 'Structure model' 'Database references' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' citation 2 2 'Structure model' citation_author 3 2 'Structure model' diffrn_source # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_citation.country' 2 2 'Structure model' '_citation.journal_abbrev' 3 2 'Structure model' '_citation.journal_id_ASTM' 4 2 'Structure model' '_citation.journal_id_CSD' 5 2 'Structure model' '_citation.journal_id_ISSN' 6 2 'Structure model' '_citation.journal_volume' 7 2 'Structure model' '_citation.page_first' 8 2 'Structure model' '_citation.page_last' 9 2 'Structure model' '_citation.pdbx_database_id_DOI' 10 2 'Structure model' '_citation.pdbx_database_id_PubMed' 11 2 'Structure model' '_citation.title' 12 2 'Structure model' '_citation.year' 13 2 'Structure model' '_diffrn_source.pdbx_synchrotron_site' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0049 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CA A VAL 409 ? ? CB A VAL 409 ? ? CG2 A VAL 409 ? A 120.78 110.90 9.88 1.50 N 2 1 CB A PHE 450 ? ? CG A PHE 450 ? ? CD1 A PHE 450 ? ? 125.11 120.80 4.31 0.70 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LEU A 59 ? ? 77.50 131.18 2 1 SER A 114 ? ? 50.95 -141.20 3 1 ASP A 209 ? ? -159.20 -73.94 4 1 ALA A 244 ? ? 82.40 -5.32 5 1 VAL A 420 ? ? -109.40 -63.32 6 1 ASN A 421 ? ? -143.30 40.07 7 1 ASN A 436 ? ? -144.15 56.36 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 1428 ? 5.83 . 2 1 O ? A HOH 1429 ? 5.88 . 3 1 O ? A HOH 1430 ? 6.04 . 4 1 O ? A HOH 1431 ? 8.47 . # 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 1 A GLN 493 ? CG ? A GLN 493 CG 2 1 Y 1 A GLN 493 ? CD ? A GLN 493 CD 3 1 Y 1 A GLN 493 ? OE1 ? A GLN 493 OE1 4 1 Y 1 A GLN 493 ? NE2 ? A GLN 493 NE2 5 1 Y 1 A HIS 495 ? CG ? A HIS 495 CG 6 1 Y 1 A HIS 495 ? ND1 ? A HIS 495 ND1 7 1 Y 1 A HIS 495 ? CD2 ? A HIS 495 CD2 8 1 Y 1 A HIS 495 ? CE1 ? A HIS 495 CE1 9 1 Y 1 A HIS 495 ? NE2 ? A HIS 495 NE2 10 1 N 1 A PG6 610 ? C1 ? K PG6 1 C1 11 1 N 1 A PG6 610 ? O1 ? K PG6 1 O1 12 1 N 1 A PG6 610 ? C2 ? K PG6 1 C2 13 1 N 1 A PG6 610 ? C3 ? K PG6 1 C3 14 1 N 1 A PG6 610 ? O2 ? K PG6 1 O2 15 1 N 1 A PG6 610 ? C10 ? K PG6 1 C10 16 1 N 1 A PG6 610 ? C11 ? K PG6 1 C11 17 1 N 1 A PG6 610 ? O6 ? K PG6 1 O6 18 1 N 1 A PG6 610 ? C12 ? K PG6 1 C12 19 1 N 1 A PG6 611 ? C1 ? L PG6 1 C1 20 1 N 1 A PG6 611 ? O1 ? L PG6 1 O1 21 1 N 1 A PG6 611 ? C2 ? L PG6 1 C2 22 1 N 1 A PG6 611 ? C3 ? L PG6 1 C3 23 1 N 1 A PG6 611 ? O2 ? L PG6 1 O2 24 1 N 1 A PG6 611 ? C4 ? L PG6 1 C4 25 1 N 1 A PG6 611 ? C5 ? L PG6 1 C5 26 1 N 1 A PG6 611 ? C8 ? L PG6 1 C8 27 1 N 1 A PG6 611 ? C9 ? L PG6 1 C9 28 1 N 1 A PG6 611 ? O5 ? L PG6 1 O5 29 1 N 1 A PG6 611 ? C10 ? L PG6 1 C10 30 1 N 1 A PG6 611 ? C11 ? L PG6 1 C11 31 1 N 1 A PG6 611 ? O6 ? L PG6 1 O6 32 1 N 1 A PG6 611 ? C12 ? L PG6 1 C12 # 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 ASN 496 ? A ASN 496 2 1 Y 1 A ILE 497 ? A ILE 497 3 1 Y 1 A SER 498 ? A SER 498 4 1 Y 1 A THR 499 ? A THR 499 5 1 Y 1 A ALA 500 ? A ALA 500 6 1 Y 1 A THR 501 ? A THR 501 7 1 Y 1 A ARG 502 ? A ARG 502 8 1 Y 1 A GLN 503 ? A GLN 503 9 1 Y 1 A ASP 504 ? A ASP 504 10 1 Y 1 A PHE 505 ? A PHE 505 11 1 Y 1 A GLN 506 ? A GLN 506 12 1 Y 1 A ILE 507 ? A ILE 507 13 1 Y 1 A LEU 508 ? A LEU 508 14 1 Y 1 A CYS 509 ? A CYS 509 15 1 Y 1 A ILE 510 ? A ILE 510 16 1 Y 1 A CYS 511 ? A CYS 511 17 1 Y 1 A GLY 512 ? A GLY 512 18 1 Y 1 A ILE 513 ? A ILE 513 19 1 Y 1 A LEU 514 ? A LEU 514 20 1 Y 1 A HIS 515 ? A HIS 515 21 1 Y 1 A VAL 516 ? A VAL 516 22 1 Y 1 A ASN 517 ? A ASN 517 23 1 Y 1 A PHE 518 ? A PHE 518 24 1 Y 1 A ARG 519 ? A ARG 519 25 1 Y 1 A GLN 520 ? A GLN 520 26 1 Y 1 A GLU 521 ? A GLU 521 27 1 Y 1 A GLU 522 ? A GLU 522 28 1 Y 1 A ARG 523 ? A ARG 523 29 1 Y 1 A CYS 524 ? A CYS 524 30 1 Y 1 A GLY 525 ? A GLY 525 31 1 Y 1 A ILE 526 ? A ILE 526 32 1 Y 1 A SER 527 ? A SER 527 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'COPPER (II) ION' CU 3 'SODIUM ION' NA 4 N-ACETYL-D-GLUCOSAMINE NAG 5 '1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE' PG6 6 water HOH #