data_1E33 # _entry.id 1E33 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.295 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1E33 PDBE EBI-5004 WWPDB D_1290005004 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 1AUK unspecified 'HUMAN ARYLSULFATASE A' PDB 1E3C unspecified 'CRYSTAL STRUCTURE OF AN ARYLSULFATASE A MUTANT C69S SOAKED IN SYNTHETIC SUBSTRATE' PDB 1E2S unspecified 'CRYSTAL STRUCTURE OF AN ARYLSULFATASE A MUTANT C69A' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1E33 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2000-06-06 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'von Buelow, R.' 1 ? 'Schmidt, B.' 2 ? 'Dierks, T.' 3 ? 'von Figura, K.' 4 ? 'Uson, I.' 5 ? # _citation.id primary _citation.title 'Defective oligomerization of arylsulfatase a as a cause of its instability in lysosomes and metachromatic leukodystrophy.' _citation.journal_abbrev 'J. Biol. Chem.' _citation.journal_volume 277 _citation.page_first 9455 _citation.page_last 9461 _citation.year 2002 _citation.journal_id_ASTM JBCHA3 _citation.country US _citation.journal_id_ISSN 0021-9258 _citation.journal_id_CSD 0071 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 11777924 _citation.pdbx_database_id_DOI 10.1074/jbc.M111993200 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'von Bulow, R.' 1 primary 'Schmidt, B.' 2 primary 'Dierks, T.' 3 primary 'Schwabauer, N.' 4 primary 'Schilling, K.' 5 primary 'Weber, E.' 6 primary 'Uson, I.' 7 primary 'von Figura, K.' 8 # _cell.entry_id 1E33 _cell.length_a 131.400 _cell.length_b 131.400 _cell.length_c 192.000 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 16 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1E33 _symmetry.space_group_name_H-M 'I 4 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 97 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Arylsulfatase A' 51975.777 1 3.1.6.8 P426L ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 non-polymer syn 'MAGNESIUM ION' 24.305 1 ? ? ? ? 4 water nat water 18.015 170 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name ASA,Cerebroside-sulfatase # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;RPPNIVLIFADDLGYGDLGCYGHPSSTTPNLDQLAAGGLRFTDFYVPVSL(DDZ)TPSRAALLTGRLPVRMGMYPGVLVP SSRGGLPLEEVTVAEVLAARGYLTGMAGKWHLGVGPEGAFLPPHQGFHRFLGIPYSHDQGPCQNLTCFPPATPCDGGCDQ GLVPIPLLANLSVEAQPPWLPGLEARYMAFAHDLMADAQREDRPFFLYYASHHTHYPQFSGQSFAERSGRGPFGDSLMEL DAAVGTLMTAIGDLGLLEETLVIFTADNGPETMRMSRGGCSGLLRCGKGTTYEGGVREPALAFWPGHIAPGVTHELASSL DLLPTLAALAGAPLPNVTLDGFDLSPLLLGTGKSPRQSLFFYPSYPDEVRGVFAVRTGKYKAHFFTQGSAHSDTTADPAC HASSSLTAHEPLLLYDLSKDPGENYNLLGGVAGATPEVLQALKQLQLLKAQLDAAVTFGPSQVARGEDPALQICCHPGCT PRPACCHCPDPHA ; _entity_poly.pdbx_seq_one_letter_code_can ;RPPNIVLIFADDLGYGDLGCYGHPSSTTPNLDQLAAGGLRFTDFYVPVSLXTPSRAALLTGRLPVRMGMYPGVLVPSSRG GLPLEEVTVAEVLAARGYLTGMAGKWHLGVGPEGAFLPPHQGFHRFLGIPYSHDQGPCQNLTCFPPATPCDGGCDQGLVP IPLLANLSVEAQPPWLPGLEARYMAFAHDLMADAQREDRPFFLYYASHHTHYPQFSGQSFAERSGRGPFGDSLMELDAAV GTLMTAIGDLGLLEETLVIFTADNGPETMRMSRGGCSGLLRCGKGTTYEGGVREPALAFWPGHIAPGVTHELASSLDLLP TLAALAGAPLPNVTLDGFDLSPLLLGTGKSPRQSLFFYPSYPDEVRGVFAVRTGKYKAHFFTQGSAHSDTTADPACHASS SLTAHEPLLLYDLSKDPGENYNLLGGVAGATPEVLQALKQLQLLKAQLDAAVTFGPSQVARGEDPALQICCHPGCTPRPA CCHCPDPHA ; _entity_poly.pdbx_strand_id P _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ARG n 1 2 PRO n 1 3 PRO n 1 4 ASN n 1 5 ILE n 1 6 VAL n 1 7 LEU n 1 8 ILE n 1 9 PHE n 1 10 ALA n 1 11 ASP n 1 12 ASP n 1 13 LEU n 1 14 GLY n 1 15 TYR n 1 16 GLY n 1 17 ASP n 1 18 LEU n 1 19 GLY n 1 20 CYS n 1 21 TYR n 1 22 GLY n 1 23 HIS n 1 24 PRO n 1 25 SER n 1 26 SER n 1 27 THR n 1 28 THR n 1 29 PRO n 1 30 ASN n 1 31 LEU n 1 32 ASP n 1 33 GLN n 1 34 LEU n 1 35 ALA n 1 36 ALA n 1 37 GLY n 1 38 GLY n 1 39 LEU n 1 40 ARG n 1 41 PHE n 1 42 THR n 1 43 ASP n 1 44 PHE n 1 45 TYR n 1 46 VAL n 1 47 PRO n 1 48 VAL n 1 49 SER n 1 50 LEU n 1 51 DDZ n 1 52 THR n 1 53 PRO n 1 54 SER n 1 55 ARG n 1 56 ALA n 1 57 ALA n 1 58 LEU n 1 59 LEU n 1 60 THR n 1 61 GLY n 1 62 ARG n 1 63 LEU n 1 64 PRO n 1 65 VAL n 1 66 ARG n 1 67 MET n 1 68 GLY n 1 69 MET n 1 70 TYR n 1 71 PRO n 1 72 GLY n 1 73 VAL n 1 74 LEU n 1 75 VAL n 1 76 PRO n 1 77 SER n 1 78 SER n 1 79 ARG n 1 80 GLY n 1 81 GLY n 1 82 LEU n 1 83 PRO n 1 84 LEU n 1 85 GLU n 1 86 GLU n 1 87 VAL n 1 88 THR n 1 89 VAL n 1 90 ALA n 1 91 GLU n 1 92 VAL n 1 93 LEU n 1 94 ALA n 1 95 ALA n 1 96 ARG n 1 97 GLY n 1 98 TYR n 1 99 LEU n 1 100 THR n 1 101 GLY n 1 102 MET n 1 103 ALA n 1 104 GLY n 1 105 LYS n 1 106 TRP n 1 107 HIS n 1 108 LEU n 1 109 GLY n 1 110 VAL n 1 111 GLY n 1 112 PRO n 1 113 GLU n 1 114 GLY n 1 115 ALA n 1 116 PHE n 1 117 LEU n 1 118 PRO n 1 119 PRO n 1 120 HIS n 1 121 GLN n 1 122 GLY n 1 123 PHE n 1 124 HIS n 1 125 ARG n 1 126 PHE n 1 127 LEU n 1 128 GLY n 1 129 ILE n 1 130 PRO n 1 131 TYR n 1 132 SER n 1 133 HIS n 1 134 ASP n 1 135 GLN n 1 136 GLY n 1 137 PRO n 1 138 CYS n 1 139 GLN n 1 140 ASN n 1 141 LEU n 1 142 THR n 1 143 CYS n 1 144 PHE n 1 145 PRO n 1 146 PRO n 1 147 ALA n 1 148 THR n 1 149 PRO n 1 150 CYS n 1 151 ASP n 1 152 GLY n 1 153 GLY n 1 154 CYS n 1 155 ASP n 1 156 GLN n 1 157 GLY n 1 158 LEU n 1 159 VAL n 1 160 PRO n 1 161 ILE n 1 162 PRO n 1 163 LEU n 1 164 LEU n 1 165 ALA n 1 166 ASN n 1 167 LEU n 1 168 SER n 1 169 VAL n 1 170 GLU n 1 171 ALA n 1 172 GLN n 1 173 PRO n 1 174 PRO n 1 175 TRP n 1 176 LEU n 1 177 PRO n 1 178 GLY n 1 179 LEU n 1 180 GLU n 1 181 ALA n 1 182 ARG n 1 183 TYR n 1 184 MET n 1 185 ALA n 1 186 PHE n 1 187 ALA n 1 188 HIS n 1 189 ASP n 1 190 LEU n 1 191 MET n 1 192 ALA n 1 193 ASP n 1 194 ALA n 1 195 GLN n 1 196 ARG n 1 197 GLU n 1 198 ASP n 1 199 ARG n 1 200 PRO n 1 201 PHE n 1 202 PHE n 1 203 LEU n 1 204 TYR n 1 205 TYR n 1 206 ALA n 1 207 SER n 1 208 HIS n 1 209 HIS n 1 210 THR n 1 211 HIS n 1 212 TYR n 1 213 PRO n 1 214 GLN n 1 215 PHE n 1 216 SER n 1 217 GLY n 1 218 GLN n 1 219 SER n 1 220 PHE n 1 221 ALA n 1 222 GLU n 1 223 ARG n 1 224 SER n 1 225 GLY n 1 226 ARG n 1 227 GLY n 1 228 PRO n 1 229 PHE n 1 230 GLY n 1 231 ASP n 1 232 SER n 1 233 LEU n 1 234 MET n 1 235 GLU n 1 236 LEU n 1 237 ASP n 1 238 ALA n 1 239 ALA n 1 240 VAL n 1 241 GLY n 1 242 THR n 1 243 LEU n 1 244 MET n 1 245 THR n 1 246 ALA n 1 247 ILE n 1 248 GLY n 1 249 ASP n 1 250 LEU n 1 251 GLY n 1 252 LEU n 1 253 LEU n 1 254 GLU n 1 255 GLU n 1 256 THR n 1 257 LEU n 1 258 VAL n 1 259 ILE n 1 260 PHE n 1 261 THR n 1 262 ALA n 1 263 ASP n 1 264 ASN n 1 265 GLY n 1 266 PRO n 1 267 GLU n 1 268 THR n 1 269 MET n 1 270 ARG n 1 271 MET n 1 272 SER n 1 273 ARG n 1 274 GLY n 1 275 GLY n 1 276 CYS n 1 277 SER n 1 278 GLY n 1 279 LEU n 1 280 LEU n 1 281 ARG n 1 282 CYS n 1 283 GLY n 1 284 LYS n 1 285 GLY n 1 286 THR n 1 287 THR n 1 288 TYR n 1 289 GLU n 1 290 GLY n 1 291 GLY n 1 292 VAL n 1 293 ARG n 1 294 GLU n 1 295 PRO n 1 296 ALA n 1 297 LEU n 1 298 ALA n 1 299 PHE n 1 300 TRP n 1 301 PRO n 1 302 GLY n 1 303 HIS n 1 304 ILE n 1 305 ALA n 1 306 PRO n 1 307 GLY n 1 308 VAL n 1 309 THR n 1 310 HIS n 1 311 GLU n 1 312 LEU n 1 313 ALA n 1 314 SER n 1 315 SER n 1 316 LEU n 1 317 ASP n 1 318 LEU n 1 319 LEU n 1 320 PRO n 1 321 THR n 1 322 LEU n 1 323 ALA n 1 324 ALA n 1 325 LEU n 1 326 ALA n 1 327 GLY n 1 328 ALA n 1 329 PRO n 1 330 LEU n 1 331 PRO n 1 332 ASN n 1 333 VAL n 1 334 THR n 1 335 LEU n 1 336 ASP n 1 337 GLY n 1 338 PHE n 1 339 ASP n 1 340 LEU n 1 341 SER n 1 342 PRO n 1 343 LEU n 1 344 LEU n 1 345 LEU n 1 346 GLY n 1 347 THR n 1 348 GLY n 1 349 LYS n 1 350 SER n 1 351 PRO n 1 352 ARG n 1 353 GLN n 1 354 SER n 1 355 LEU n 1 356 PHE n 1 357 PHE n 1 358 TYR n 1 359 PRO n 1 360 SER n 1 361 TYR n 1 362 PRO n 1 363 ASP n 1 364 GLU n 1 365 VAL n 1 366 ARG n 1 367 GLY n 1 368 VAL n 1 369 PHE n 1 370 ALA n 1 371 VAL n 1 372 ARG n 1 373 THR n 1 374 GLY n 1 375 LYS n 1 376 TYR n 1 377 LYS n 1 378 ALA n 1 379 HIS n 1 380 PHE n 1 381 PHE n 1 382 THR n 1 383 GLN n 1 384 GLY n 1 385 SER n 1 386 ALA n 1 387 HIS n 1 388 SER n 1 389 ASP n 1 390 THR n 1 391 THR n 1 392 ALA n 1 393 ASP n 1 394 PRO n 1 395 ALA n 1 396 CYS n 1 397 HIS n 1 398 ALA n 1 399 SER n 1 400 SER n 1 401 SER n 1 402 LEU n 1 403 THR n 1 404 ALA n 1 405 HIS n 1 406 GLU n 1 407 PRO n 1 408 LEU n 1 409 LEU n 1 410 LEU n 1 411 TYR n 1 412 ASP n 1 413 LEU n 1 414 SER n 1 415 LYS n 1 416 ASP n 1 417 PRO n 1 418 GLY n 1 419 GLU n 1 420 ASN n 1 421 TYR n 1 422 ASN n 1 423 LEU n 1 424 LEU n 1 425 GLY n 1 426 GLY n 1 427 VAL n 1 428 ALA n 1 429 GLY n 1 430 ALA n 1 431 THR n 1 432 PRO n 1 433 GLU n 1 434 VAL n 1 435 LEU n 1 436 GLN n 1 437 ALA n 1 438 LEU n 1 439 LYS n 1 440 GLN n 1 441 LEU n 1 442 GLN n 1 443 LEU n 1 444 LEU n 1 445 LYS n 1 446 ALA n 1 447 GLN n 1 448 LEU n 1 449 ASP n 1 450 ALA n 1 451 ALA n 1 452 VAL n 1 453 THR n 1 454 PHE n 1 455 GLY n 1 456 PRO n 1 457 SER n 1 458 GLN n 1 459 VAL n 1 460 ALA n 1 461 ARG n 1 462 GLY n 1 463 GLU n 1 464 ASP n 1 465 PRO n 1 466 ALA n 1 467 LEU n 1 468 GLN n 1 469 ILE n 1 470 CYS n 1 471 CYS n 1 472 HIS n 1 473 PRO n 1 474 GLY n 1 475 CYS n 1 476 THR n 1 477 PRO n 1 478 ARG n 1 479 PRO n 1 480 ALA n 1 481 CYS n 1 482 CYS n 1 483 HIS n 1 484 CYS n 1 485 PRO n 1 486 ASP n 1 487 PRO n 1 488 HIS n 1 489 ALA n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 489 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ARSA _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ TESTIS _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location LYSOSOME _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Mus musculus' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 10090 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line MEF _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code ARSA_HUMAN _struct_ref.pdbx_db_accession P15289 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;RPPNIVLIFADDLGYGDLGCYGHPSSTTPNLDQLAAGGLRFTDFYVPVSLCTPSRAALLTGRLPVRMGMYPGVLVPSSRG GLPLEEVTVAEVLAARGYLTGMAGKWHLGVGPEGAFLPPHQGFHRFLGIPYSHDQGPCQNLTCFPPATPCDGGCDQGLVP IPLLANLSVEAQPPWLPGLEARYMAFAHDLMADAQRQDRPFFLYYASHHTHYPQFSGQSFAERSGRGPFGDSLMELDAAV GTLMTAIGDLGLLEETLVIFTADNGPETMRMSRGGCSGLLRCGKGTTYEGGVREPALAFWPGHIAPGVTHELASSLDLLP TLAALAGAPLPNVTLDGFDLSPLLLGTGKSPRQSLFFYPSYPDEVRGVFAVRTGKYKAHFFTQGSAHSDTTADPACHASS SLTAHEPPLLYDLSKDPGENYNLLGGVAGATPEVLQALKQLQLLKAQLDAAVTFGPSQVARGEDPALQICCHPGCTPRPA CCHCPDPHA ; _struct_ref.pdbx_align_begin 19 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1E33 _struct_ref_seq.pdbx_strand_id P _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 489 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P15289 _struct_ref_seq.db_align_beg 19 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 507 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 19 _struct_ref_seq.pdbx_auth_seq_align_end 507 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 1E33 GLU P 197 ? UNP P15289 GLN 215 conflict 215 1 1 1E33 LEU P 408 ? UNP P15289 PRO 426 'engineered mutation' 426 2 # 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DDZ 'L-peptide linking' n '3,3-DIHYDROXY L-ALANINE' 3-HYDROXY-L-SERINE 'C3 H7 N O4' 121.092 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 MG non-polymer . 'MAGNESIUM ION' ? 'Mg 2' 24.305 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 1E33 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 3 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.3 _exptl_crystal.density_percent_sol 63 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.40 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details ;PROTEIN WAS CRYSTALLIZED BY VAPOR DIFFUSION IN HANGING DROPS AT 291 K. SOLUTION CONTAINING 10MG/ML PROTEIN, 10 MM TRIS/HCL (PH 7.4) AND 150 MM NACL WAS MIXED WITH SAME VOLUME OF RESERVOIR SOLUTION, CONTAINING 100 MM NA-ACETATE (PH 5.0 - 5.4) AND 10 - 13 % PEG 6000 ; # _diffrn.id 1 _diffrn.ambient_temp 277.0 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 1998-12-15 _diffrn_detector.details 'BENT CRYSTAL' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'GE SINGLE CRYSTAL' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.91 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'EMBL/DESY, HAMBURG BEAMLINE X11' _diffrn_source.pdbx_synchrotron_site 'EMBL/DESY, HAMBURG' _diffrn_source.pdbx_synchrotron_beamline X11 _diffrn_source.pdbx_wavelength 0.91 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 1E33 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.000 _reflns.d_resolution_high 2.500 _reflns.number_obs 29188 _reflns.number_all ? _reflns.percent_possible_obs 99.2 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.08300 _reflns.pdbx_netI_over_sigmaI 14.9000 _reflns.B_iso_Wilson_estimate 43.4 _reflns.pdbx_redundancy 5.400 _reflns.pdbx_CC_half ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_Rrim_I_all ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.50 _reflns_shell.d_res_low 2.60 _reflns_shell.percent_possible_all 99.3 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.36000 _reflns_shell.meanI_over_sigI_obs 2.800 _reflns_shell.pdbx_redundancy 4.70 _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_Rrim_I_all ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 1E33 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 33144 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 30 _refine.ls_d_res_high 2.50 _refine.ls_percent_reflns_obs 99.2 _refine.ls_R_factor_obs 0.187 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.185 _refine.ls_R_factor_R_free 0.250 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 1476 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 39.6 _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method 'FREE R' _refine.details ? _refine.pdbx_starting_model 1AUK _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.257 _refine.pdbx_overall_ESU_R_Free 0.235 _refine.overall_SU_ML 0.154 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 7.08 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3555 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 29 _refine_hist.number_atoms_solvent 170 _refine_hist.number_atoms_total 3754 _refine_hist.d_res_high 2.50 _refine_hist.d_res_low 30 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function p_bond_d 0.020 0.02 ? ? 'X-RAY DIFFRACTION' ? p_angle_d 0.053 0.04 ? ? 'X-RAY DIFFRACTION' ? p_angle_deg ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_d 0.099 0.05 ? ? 'X-RAY DIFFRACTION' ? p_hb_or_metal_coord 0.05 ? ? ? 'X-RAY DIFFRACTION' ? p_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_plane_restr ? ? ? ? 'X-RAY DIFFRACTION' ? p_chiral_restr ? ? ? ? 'X-RAY DIFFRACTION' ? p_singtor_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_multtor_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_xhyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_xyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_staggered_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_orthonormal_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_transverse_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_special_tor ? ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1E33 _struct.title 'Crystal structure of an Arylsulfatase A mutant P426L' _struct.pdbx_descriptor 'ARYLSULFATASE A (E.C.3.1.6.8)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1E33 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, CEREBROSIDE-3-SULFATE HYDROLYSIS, LYSOSOMAL ENZYME, FORMYLGLYCINE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 LEU A 18 ? GLY A 22 ? LEU P 36 GLY P 40 5 ? 5 HELX_P HELX_P2 2 THR A 28 ? GLY A 37 ? THR P 46 GLY P 55 1 ? 10 HELX_P HELX_P3 3 THR A 52 ? GLY A 61 ? THR P 70 GLY P 79 1 ? 10 HELX_P HELX_P4 4 THR A 88 ? ALA A 95 ? THR P 106 ALA P 113 1 ? 8 HELX_P HELX_P5 5 LEU A 117 ? GLY A 122 ? LEU P 135 GLY P 140 5 ? 6 HELX_P HELX_P6 6 TRP A 175 ? PRO A 177 ? TRP P 193 PRO P 195 5 ? 3 HELX_P HELX_P7 7 GLY A 178 ? GLU A 197 ? GLY P 196 GLU P 215 1 ? 20 HELX_P HELX_P8 8 ARG A 226 ? LEU A 250 ? ARG P 244 LEU P 268 1 ? 25 HELX_P HELX_P9 9 LEU A 252 ? GLU A 254 ? LEU P 270 GLU P 272 5 ? 3 HELX_P HELX_P10 10 GLU A 267 ? MET A 271 ? GLU P 285 MET P 289 5 ? 5 HELX_P HELX_P11 11 ARG A 270 ? GLY A 274 ? ARG P 288 GLY P 292 5 ? 5 HELX_P HELX_P12 12 TYR A 288 ? VAL A 292 ? TYR P 306 VAL P 310 1 ? 5 HELX_P HELX_P13 13 ASP A 317 ? ALA A 326 ? ASP P 335 ALA P 344 1 ? 10 HELX_P HELX_P14 14 LEU A 340 ? GLY A 346 ? LEU P 358 GLY P 364 1 ? 7 HELX_P HELX_P15 15 SER A 385 ? ASP A 389 ? SER P 403 ASP P 407 5 ? 5 HELX_P HELX_P16 16 ASP A 393 ? HIS A 397 ? ASP P 411 HIS P 415 5 ? 5 HELX_P HELX_P17 17 THR A 431 ? VAL A 452 ? THR P 449 VAL P 470 1 ? 22 HELX_P HELX_P18 18 GLN A 458 ? GLY A 462 ? GLN P 476 GLY P 480 5 ? 5 HELX_P HELX_P19 19 ASP A 464 ? GLN A 468 ? ASP P 482 GLN P 486 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 138 SG ? ? ? 1_555 A CYS 154 SG ? ? P CYS 156 P CYS 172 1_555 ? ? ? ? ? ? ? 1.953 ? disulf2 disulf ? ? A CYS 143 SG ? ? ? 1_555 A CYS 150 SG ? ? P CYS 161 P CYS 168 1_555 ? ? ? ? ? ? ? 1.990 ? disulf3 disulf ? ? A CYS 282 SG ? ? ? 1_555 A CYS 396 SG ? ? P CYS 300 P CYS 414 1_555 ? ? ? ? ? ? ? 1.943 ? disulf4 disulf ? ? A CYS 470 SG ? ? ? 1_555 A CYS 482 SG ? ? P CYS 488 P CYS 500 1_555 ? ? ? ? ? ? ? 1.999 ? disulf5 disulf ? ? A CYS 471 SG ? ? ? 1_555 A CYS 484 SG ? ? P CYS 489 P CYS 502 1_555 ? ? ? ? ? ? ? 2.018 ? disulf6 disulf ? ? A CYS 475 SG ? ? ? 1_555 A CYS 481 SG ? ? P CYS 493 P CYS 499 1_555 ? ? ? ? ? ? ? 2.016 ? covale1 covale ? ? A LEU 50 C ? ? ? 1_555 A DDZ 51 N ? ? P LEU 68 P DDZ 69 1_555 ? ? ? ? ? ? ? 1.323 ? covale2 covale ? ? A DDZ 51 C ? ? ? 1_555 A THR 52 N ? ? P DDZ 69 P THR 70 1_555 ? ? ? ? ? ? ? 1.341 ? covale3 covale ? ? A ASN 166 ND2 ? ? ? 1_555 B NAG . C1 ? ? P ASN 184 P NAG 601 1_555 ? ? ? ? ? ? ? 1.464 ? covale4 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? P NAG 601 P NAG 602 1_555 ? ? ? ? ? ? ? 1.415 ? metalc1 metalc ? ? D MG . MG ? ? ? 1_555 A ASN 264 OD1 ? ? P MG 603 P ASN 282 1_555 ? ? ? ? ? ? ? 2.645 ? metalc2 metalc ? ? D MG . MG ? ? ? 1_555 A ASP 12 OD1 ? ? P MG 603 P ASP 30 1_555 ? ? ? ? ? ? ? 2.382 ? metalc3 metalc ? ? D MG . MG ? ? ? 1_555 A ASP 11 OD1 ? ? P MG 603 P ASP 29 1_555 ? ? ? ? ? ? ? 2.324 ? metalc4 metalc ? ? D MG . MG ? ? ? 1_555 A ASP 263 OD1 ? ? P MG 603 P ASP 281 1_555 ? ? ? ? ? ? ? 2.713 ? metalc5 metalc ? ? D MG . MG ? ? ? 1_555 A ASP 263 OD2 ? ? P MG 603 P ASP 281 1_555 ? ? ? ? ? ? ? 2.309 ? metalc6 metalc ? ? D MG . MG ? ? ? 1_555 A DDZ 51 OG1 ? ? P MG 603 P DDZ 69 1_555 ? ? ? ? ? ? ? 2.377 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 70 A . ? TYR 88 P PRO 71 A ? PRO 89 P 1 -8.44 2 PRO 145 A . ? PRO 163 P PRO 146 A ? PRO 164 P 1 2.75 3 GLN 172 A . ? GLN 190 P PRO 173 A ? PRO 191 P 1 -2.42 4 HIS 209 A . ? HIS 227 P THR 210 A ? THR 228 P 1 -2.36 5 TYR 212 A . ? TYR 230 P PRO 213 A ? PRO 231 P 1 -0.80 6 GLU 406 A . ? GLU 424 P PRO 407 A ? PRO 425 P 1 5.44 7 THR 476 A . ? THR 494 P PRO 477 A ? PRO 495 P 1 -13.41 8 ARG 478 A . ? ARG 496 P PRO 479 A ? PRO 497 P 1 14.94 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 10 ? B ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? parallel A 4 5 ? parallel A 5 6 ? parallel A 6 7 ? parallel A 7 8 ? anti-parallel A 8 9 ? anti-parallel A 9 10 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 SER A 168 ? ALA A 171 ? SER P 186 ALA P 189 A 2 LEU A 163 ? ALA A 165 ? LEU P 181 ALA P 183 A 3 ARG A 125 ? ILE A 129 ? ARG P 143 ILE P 147 A 4 LEU A 99 ? GLY A 104 ? LEU P 117 GLY P 122 A 5 PHE A 201 ? ALA A 206 ? PHE P 219 ALA P 224 A 6 ASN A 4 ? ALA A 10 ? ASN P 22 ALA P 28 A 7 THR A 256 ? ALA A 262 ? THR P 274 ALA P 280 A 8 ALA A 296 ? PHE A 299 ? ALA P 314 PHE P 317 A 9 LEU A 39 ? PHE A 41 ? LEU P 57 PHE P 59 A 10 GLY A 307 ? THR A 309 ? GLY P 325 THR P 327 B 1 SER A 354 ? PHE A 357 ? SER P 372 PHE P 375 B 2 ALA A 370 ? THR A 373 ? ALA P 388 THR P 391 B 3 TYR A 376 ? HIS A 379 ? TYR P 394 HIS P 397 B 4 LEU A 409 ? ASP A 412 ? LEU P 427 ASP P 430 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O SER A 168 ? O SER P 186 N ALA A 165 ? N ALA P 183 A 2 3 O LEU A 164 ? O LEU P 182 N GLY A 128 ? N GLY P 146 A 3 4 O ARG A 125 ? O ARG P 143 N MET A 102 ? N MET P 120 A 4 5 O LEU A 99 ? O LEU P 117 N PHE A 202 ? N PHE P 220 A 5 6 O LEU A 203 ? O LEU P 221 N ILE A 5 ? N ILE P 23 A 6 7 O ASN A 4 ? O ASN P 22 N LEU A 257 ? N LEU P 275 A 7 8 O VAL A 258 ? O VAL P 276 N PHE A 299 ? N PHE P 317 A 8 9 O ALA A 296 ? O ALA P 314 N PHE A 41 ? N PHE P 59 A 9 10 O ARG A 40 ? O ARG P 58 N GLY A 307 ? N GLY P 325 B 1 2 O LEU A 355 ? O LEU P 373 N ARG A 372 ? N ARG P 390 B 2 3 O VAL A 371 ? O VAL P 389 N ALA A 378 ? N ALA P 396 B 3 4 O LYS A 377 ? O LYS P 395 N TYR A 411 ? N TYR P 429 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NDG P 601' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NDG P 602' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MG P 603' # 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 124 ? HIS P 142 . ? 1_555 ? 2 AC1 5 ARG A 125 ? ARG P 143 . ? 1_555 ? 3 AC1 5 ASN A 166 ? ASN P 184 . ? 1_555 ? 4 AC1 5 PHE A 186 ? PHE P 204 . ? 1_555 ? 5 AC1 5 NAG C . ? NAG P 602 . ? 1_555 ? 6 AC2 4 LEU A 99 ? LEU P 117 . ? 1_555 ? 7 AC2 4 ARG A 125 ? ARG P 143 . ? 1_555 ? 8 AC2 4 ASP A 193 ? ASP P 211 . ? 1_555 ? 9 AC2 4 NAG B . ? NAG P 601 . ? 1_555 ? 10 AC3 5 ASP A 11 ? ASP P 29 . ? 1_555 ? 11 AC3 5 ASP A 12 ? ASP P 30 . ? 1_555 ? 12 AC3 5 DDZ A 51 ? DDZ P 69 . ? 1_555 ? 13 AC3 5 ASP A 263 ? ASP P 281 . ? 1_555 ? 14 AC3 5 ASN A 264 ? ASN P 282 . ? 1_555 ? # _database_PDB_matrix.entry_id 1E33 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1E33 _atom_sites.fract_transf_matrix[1][1] 0.007610 _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] 0.007610 _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] 0.005208 _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 MG N 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 . ARG A 1 1 ? 35.982 68.392 -16.313 1.00 93.72 ? 19 ARG P N 1 ATOM 2 C CA . ARG A 1 1 ? 35.139 67.794 -17.396 1.00 91.26 ? 19 ARG P CA 1 ATOM 3 C C . ARG A 1 1 ? 34.637 66.447 -16.892 1.00 89.34 ? 19 ARG P C 1 ATOM 4 O O . ARG A 1 1 ? 35.127 65.922 -15.883 1.00 94.27 ? 19 ARG P O 1 ATOM 5 C CB . ARG A 1 1 ? 35.858 67.632 -18.725 1.00 89.90 ? 19 ARG P CB 1 ATOM 6 N N . PRO A 1 2 ? 33.616 65.925 -17.553 1.00 82.97 ? 20 PRO P N 1 ATOM 7 C CA . PRO A 1 2 ? 33.041 64.624 -17.208 1.00 77.78 ? 20 PRO P CA 1 ATOM 8 C C . PRO A 1 2 ? 34.121 63.584 -17.385 1.00 70.17 ? 20 PRO P C 1 ATOM 9 O O . PRO A 1 2 ? 34.998 63.815 -18.225 1.00 71.08 ? 20 PRO P O 1 ATOM 10 C CB . PRO A 1 2 ? 31.938 64.480 -18.242 1.00 81.89 ? 20 PRO P CB 1 ATOM 11 C CG . PRO A 1 2 ? 32.440 65.237 -19.422 1.00 80.75 ? 20 PRO P CG 1 ATOM 12 C CD . PRO A 1 2 ? 32.993 66.486 -18.763 1.00 83.38 ? 20 PRO P CD 1 ATOM 13 N N . PRO A 1 3 ? 34.132 62.530 -16.583 1.00 63.47 ? 21 PRO P N 1 ATOM 14 C CA . PRO A 1 3 ? 35.206 61.543 -16.667 1.00 52.52 ? 21 PRO P CA 1 ATOM 15 C C . PRO A 1 3 ? 35.024 60.588 -17.811 1.00 48.06 ? 21 PRO P C 1 ATOM 16 O O . PRO A 1 3 ? 34.033 60.494 -18.576 1.00 43.66 ? 21 PRO P O 1 ATOM 17 C CB . PRO A 1 3 ? 35.197 60.925 -15.262 1.00 55.68 ? 21 PRO P CB 1 ATOM 18 C CG . PRO A 1 3 ? 33.798 61.059 -14.785 1.00 54.52 ? 21 PRO P CG 1 ATOM 19 C CD . PRO A 1 3 ? 33.170 62.215 -15.509 1.00 58.94 ? 21 PRO P CD 1 ATOM 20 N N . ASN A 1 4 ? 36.158 59.948 -18.121 1.00 45.94 ? 22 ASN P N 1 ATOM 21 C CA . ASN A 1 4 ? 35.992 58.818 -19.065 1.00 51.99 ? 22 ASN P CA 1 ATOM 22 C C . ASN A 1 4 ? 35.403 57.660 -18.202 1.00 52.90 ? 22 ASN P C 1 ATOM 23 O O . ASN A 1 4 ? 35.592 57.454 -16.970 1.00 43.91 ? 22 ASN P O 1 ATOM 24 C CB . ASN A 1 4 ? 37.289 58.391 -19.691 1.00 57.40 ? 22 ASN P CB 1 ATOM 25 C CG . ASN A 1 4 ? 37.906 59.585 -20.471 1.00 56.26 ? 22 ASN P CG 1 ATOM 26 O OD1 . ASN A 1 4 ? 37.316 60.076 -21.459 1.00 48.99 ? 22 ASN P OD1 1 ATOM 27 N ND2 . ASN A 1 4 ? 39.065 59.833 -19.883 1.00 43.01 ? 22 ASN P ND2 1 ATOM 28 N N . ILE A 1 5 ? 34.554 56.909 -18.890 1.00 43.99 ? 23 ILE P N 1 ATOM 29 C CA . ILE A 1 5 ? 33.897 55.794 -18.244 1.00 48.41 ? 23 ILE P CA 1 ATOM 30 C C . ILE A 1 5 ? 34.100 54.437 -18.892 1.00 45.55 ? 23 ILE P C 1 ATOM 31 O O . ILE A 1 5 ? 33.654 54.278 -20.038 1.00 43.09 ? 23 ILE P O 1 ATOM 32 C CB . ILE A 1 5 ? 32.362 56.047 -18.173 1.00 47.52 ? 23 ILE P CB 1 ATOM 33 C CG1 . ILE A 1 5 ? 32.078 57.351 -17.412 1.00 41.74 ? 23 ILE P CG1 1 ATOM 34 C CG2 . ILE A 1 5 ? 31.779 54.804 -17.501 1.00 48.30 ? 23 ILE P CG2 1 ATOM 35 C CD1 . ILE A 1 5 ? 30.636 57.790 -17.348 1.00 36.75 ? 23 ILE P CD1 1 ATOM 36 N N . VAL A 1 6 ? 34.635 53.515 -18.109 1.00 45.25 ? 24 VAL P N 1 ATOM 37 C CA . VAL A 1 6 ? 34.656 52.126 -18.621 1.00 45.70 ? 24 VAL P CA 1 ATOM 38 C C . VAL A 1 6 ? 33.795 51.234 -17.719 1.00 43.42 ? 24 VAL P C 1 ATOM 39 O O . VAL A 1 6 ? 33.939 51.126 -16.477 1.00 34.91 ? 24 VAL P O 1 ATOM 40 C CB . VAL A 1 6 ? 36.040 51.608 -18.893 1.00 46.84 ? 24 VAL P CB 1 ATOM 41 C CG1 . VAL A 1 6 ? 37.030 51.854 -17.793 1.00 52.83 ? 24 VAL P CG1 1 ATOM 42 C CG2 . VAL A 1 6 ? 35.955 50.106 -19.158 1.00 46.41 ? 24 VAL P CG2 1 ATOM 43 N N . LEU A 1 7 ? 32.772 50.678 -18.368 1.00 38.57 ? 25 LEU P N 1 ATOM 44 C CA . LEU A 1 7 ? 31.790 49.754 -17.769 1.00 34.52 ? 25 LEU P CA 1 ATOM 45 C C . LEU A 1 7 ? 31.980 48.290 -18.176 1.00 31.40 ? 25 LEU P C 1 ATOM 46 O O . LEU A 1 7 ? 31.715 48.004 -19.361 1.00 30.44 ? 25 LEU P O 1 ATOM 47 C CB . LEU A 1 7 ? 30.398 50.210 -18.100 1.00 35.14 ? 25 LEU P CB 1 ATOM 48 C CG . LEU A 1 7 ? 29.166 49.418 -17.676 1.00 45.37 ? 25 LEU P CG 1 ATOM 49 C CD1 . LEU A 1 7 ? 29.376 48.765 -16.341 1.00 48.93 ? 25 LEU P CD1 1 ATOM 50 C CD2 . LEU A 1 7 ? 27.941 50.308 -17.696 1.00 45.87 ? 25 LEU P CD2 1 ATOM 51 N N . ILE A 1 8 ? 32.666 47.468 -17.392 1.00 32.20 ? 26 ILE P N 1 ATOM 52 C CA . ILE A 1 8 ? 32.865 46.052 -17.767 1.00 38.67 ? 26 ILE P CA 1 ATOM 53 C C . ILE A 1 8 ? 31.768 45.186 -17.182 1.00 37.09 ? 26 ILE P C 1 ATOM 54 O O . ILE A 1 8 ? 31.585 45.294 -15.955 1.00 33.24 ? 26 ILE P O 1 ATOM 55 C CB . ILE A 1 8 ? 34.197 45.592 -17.123 1.00 41.05 ? 26 ILE P CB 1 ATOM 56 C CG1 . ILE A 1 8 ? 35.148 46.746 -17.555 1.00 36.36 ? 26 ILE P CG1 1 ATOM 57 C CG2 . ILE A 1 8 ? 34.525 44.199 -17.617 1.00 30.27 ? 26 ILE P CG2 1 ATOM 58 C CD1 . ILE A 1 8 ? 36.574 46.448 -17.200 1.00 44.45 ? 26 ILE P CD1 1 ATOM 59 N N . PHE A 1 9 ? 31.055 44.402 -17.951 1.00 32.32 ? 27 PHE P N 1 ATOM 60 C CA . PHE A 1 9 ? 29.920 43.570 -17.538 1.00 27.41 ? 27 PHE P CA 1 ATOM 61 C C . PHE A 1 9 ? 30.175 42.128 -17.958 1.00 28.58 ? 27 PHE P C 1 ATOM 62 O O . PHE A 1 9 ? 29.981 41.726 -19.155 1.00 28.95 ? 27 PHE P O 1 ATOM 63 C CB . PHE A 1 9 ? 28.659 44.055 -18.241 1.00 31.80 ? 27 PHE P CB 1 ATOM 64 C CG . PHE A 1 9 ? 27.341 43.896 -17.547 1.00 28.51 ? 27 PHE P CG 1 ATOM 65 C CD1 . PHE A 1 9 ? 27.107 44.125 -16.226 1.00 34.16 ? 27 PHE P CD1 1 ATOM 66 C CD2 . PHE A 1 9 ? 26.257 43.543 -18.299 1.00 29.28 ? 27 PHE P CD2 1 ATOM 67 C CE1 . PHE A 1 9 ? 25.857 44.003 -15.631 1.00 28.36 ? 27 PHE P CE1 1 ATOM 68 C CE2 . PHE A 1 9 ? 25.010 43.394 -17.802 1.00 23.98 ? 27 PHE P CE2 1 ATOM 69 C CZ . PHE A 1 9 ? 24.822 43.619 -16.417 1.00 30.68 ? 27 PHE P CZ 1 ATOM 70 N N . ALA A 1 10 ? 30.480 41.361 -16.942 1.00 27.02 ? 28 ALA P N 1 ATOM 71 C CA . ALA A 1 10 ? 30.743 39.925 -17.170 1.00 26.35 ? 28 ALA P CA 1 ATOM 72 C C . ALA A 1 10 ? 29.421 39.192 -17.308 1.00 29.06 ? 28 ALA P C 1 ATOM 73 O O . ALA A 1 10 ? 28.310 39.752 -17.159 1.00 24.12 ? 28 ALA P O 1 ATOM 74 C CB . ALA A 1 10 ? 31.659 39.350 -16.160 1.00 22.24 ? 28 ALA P CB 1 ATOM 75 N N . ASP A 1 11 ? 29.539 37.936 -17.764 1.00 21.48 ? 29 ASP P N 1 ATOM 76 C CA . ASP A 1 11 ? 28.332 37.170 -18.079 1.00 23.48 ? 29 ASP P CA 1 ATOM 77 C C . ASP A 1 11 ? 28.238 35.898 -17.238 1.00 23.27 ? 29 ASP P C 1 ATOM 78 O O . ASP A 1 11 ? 29.176 35.098 -17.204 1.00 23.01 ? 29 ASP P O 1 ATOM 79 C CB . ASP A 1 11 ? 28.400 36.775 -19.558 1.00 19.03 ? 29 ASP P CB 1 ATOM 80 C CG . ASP A 1 11 ? 27.074 36.287 -20.122 1.00 31.05 ? 29 ASP P CG 1 ATOM 81 O OD1 . ASP A 1 11 ? 26.097 36.314 -19.351 1.00 46.03 ? 29 ASP P OD1 1 ATOM 82 O OD2 . ASP A 1 11 ? 26.815 35.867 -21.250 1.00 28.86 ? 29 ASP P OD2 1 ATOM 83 N N . ASP A 1 12 ? 27.101 35.643 -16.568 1.00 19.80 ? 30 ASP P N 1 ATOM 84 C CA . ASP A 1 12 ? 26.980 34.435 -15.736 1.00 21.89 ? 30 ASP P CA 1 ATOM 85 C C . ASP A 1 12 ? 28.133 34.236 -14.778 1.00 24.05 ? 30 ASP P C 1 ATOM 86 O O . ASP A 1 12 ? 28.840 33.194 -14.763 1.00 23.79 ? 30 ASP P O 1 ATOM 87 C CB . ASP A 1 12 ? 26.820 33.193 -16.632 1.00 16.92 ? 30 ASP P CB 1 ATOM 88 C CG . ASP A 1 12 ? 25.488 33.109 -17.331 1.00 19.28 ? 30 ASP P CG 1 ATOM 89 O OD1 . ASP A 1 12 ? 24.810 34.170 -17.355 1.00 22.27 ? 30 ASP P OD1 1 ATOM 90 O OD2 . ASP A 1 12 ? 25.113 32.027 -17.871 1.00 18.54 ? 30 ASP P OD2 1 ATOM 91 N N . LEU A 1 13 ? 28.441 35.291 -13.990 1.00 25.73 ? 31 LEU P N 1 ATOM 92 C CA . LEU A 1 13 ? 29.581 35.194 -13.084 1.00 24.43 ? 31 LEU P CA 1 ATOM 93 C C . LEU A 1 13 ? 29.080 35.342 -11.668 1.00 27.46 ? 31 LEU P C 1 ATOM 94 O O . LEU A 1 13 ? 28.235 36.198 -11.373 1.00 17.78 ? 31 LEU P O 1 ATOM 95 C CB . LEU A 1 13 ? 30.537 36.307 -13.415 1.00 24.38 ? 31 LEU P CB 1 ATOM 96 C CG . LEU A 1 13 ? 31.780 36.440 -12.497 1.00 28.24 ? 31 LEU P CG 1 ATOM 97 C CD1 . LEU A 1 13 ? 32.780 35.298 -12.543 1.00 14.96 ? 31 LEU P CD1 1 ATOM 98 C CD2 . LEU A 1 13 ? 32.546 37.733 -12.855 1.00 37.78 ? 31 LEU P CD2 1 ATOM 99 N N . GLY A 1 14 ? 29.582 34.495 -10.758 1.00 19.11 ? 32 GLY P N 1 ATOM 100 C CA . GLY A 1 14 ? 28.920 34.552 -9.484 1.00 20.82 ? 32 GLY P CA 1 ATOM 101 C C . GLY A 1 14 ? 29.563 35.447 -8.445 1.00 32.38 ? 32 GLY P C 1 ATOM 102 O O . GLY A 1 14 ? 30.785 35.691 -8.468 1.00 34.01 ? 32 GLY P O 1 ATOM 103 N N . TYR A 1 15 ? 28.742 35.694 -7.416 1.00 25.39 ? 33 TYR P N 1 ATOM 104 C CA . TYR A 1 15 ? 29.257 36.355 -6.248 1.00 26.56 ? 33 TYR P CA 1 ATOM 105 C C . TYR A 1 15 ? 30.484 35.656 -5.674 1.00 20.88 ? 33 TYR P C 1 ATOM 106 O O . TYR A 1 15 ? 31.222 36.461 -5.136 1.00 19.86 ? 33 TYR P O 1 ATOM 107 C CB . TYR A 1 15 ? 28.156 36.401 -5.210 1.00 24.57 ? 33 TYR P CB 1 ATOM 108 C CG . TYR A 1 15 ? 28.520 37.177 -3.972 1.00 27.95 ? 33 TYR P CG 1 ATOM 109 C CD1 . TYR A 1 15 ? 29.140 36.730 -2.812 1.00 27.91 ? 33 TYR P CD1 1 ATOM 110 C CD2 . TYR A 1 15 ? 28.038 38.506 -4.004 1.00 25.19 ? 33 TYR P CD2 1 ATOM 111 C CE1 . TYR A 1 15 ? 29.311 37.599 -1.731 1.00 27.52 ? 33 TYR P CE1 1 ATOM 112 C CE2 . TYR A 1 15 ? 28.230 39.348 -2.949 1.00 27.52 ? 33 TYR P CE2 1 ATOM 113 C CZ . TYR A 1 15 ? 28.865 38.890 -1.795 1.00 24.47 ? 33 TYR P CZ 1 ATOM 114 O OH . TYR A 1 15 ? 28.974 39.886 -0.834 1.00 24.94 ? 33 TYR P OH 1 ATOM 115 N N . GLY A 1 16 ? 30.795 34.344 -5.752 1.00 16.55 ? 34 GLY P N 1 ATOM 116 C CA . GLY A 1 16 ? 32.034 33.993 -5.056 1.00 6.55 ? 34 GLY P CA 1 ATOM 117 C C . GLY A 1 16 ? 33.106 33.536 -6.046 1.00 21.36 ? 34 GLY P C 1 ATOM 118 O O . GLY A 1 16 ? 33.986 32.726 -5.689 1.00 26.03 ? 34 GLY P O 1 ATOM 119 N N . ASP A 1 17 ? 33.031 34.087 -7.263 1.00 18.31 ? 35 ASP P N 1 ATOM 120 C CA . ASP A 1 17 ? 34.043 33.680 -8.262 1.00 24.90 ? 35 ASP P CA 1 ATOM 121 C C . ASP A 1 17 ? 35.283 34.548 -8.175 1.00 25.51 ? 35 ASP P C 1 ATOM 122 O O . ASP A 1 17 ? 36.347 33.926 -8.289 1.00 18.89 ? 35 ASP P O 1 ATOM 123 C CB . ASP A 1 17 ? 33.326 33.738 -9.594 1.00 20.41 ? 35 ASP P CB 1 ATOM 124 C CG . ASP A 1 17 ? 32.564 32.442 -9.908 1.00 23.41 ? 35 ASP P CG 1 ATOM 125 O OD1 . ASP A 1 17 ? 33.170 31.386 -9.660 1.00 15.82 ? 35 ASP P OD1 1 ATOM 126 O OD2 . ASP A 1 17 ? 31.463 32.626 -10.502 1.00 14.41 ? 35 ASP P OD2 1 ATOM 127 N N . LEU A 1 18 ? 35.261 35.873 -7.848 1.00 21.38 ? 36 LEU P N 1 ATOM 128 C CA . LEU A 1 18 ? 36.528 36.568 -7.809 1.00 28.49 ? 36 LEU P CA 1 ATOM 129 C C . LEU A 1 18 ? 37.432 36.154 -6.662 1.00 31.36 ? 36 LEU P C 1 ATOM 130 O O . LEU A 1 18 ? 36.964 35.858 -5.579 1.00 33.70 ? 36 LEU P O 1 ATOM 131 C CB . LEU A 1 18 ? 36.443 38.102 -7.811 1.00 19.51 ? 36 LEU P CB 1 ATOM 132 C CG . LEU A 1 18 ? 35.589 38.704 -8.893 1.00 28.66 ? 36 LEU P CG 1 ATOM 133 C CD1 . LEU A 1 18 ? 35.714 40.207 -8.995 1.00 35.21 ? 36 LEU P CD1 1 ATOM 134 C CD2 . LEU A 1 18 ? 35.673 38.166 -10.271 1.00 24.80 ? 36 LEU P CD2 1 ATOM 135 N N . GLY A 1 19 ? 38.794 36.292 -6.801 1.00 28.63 ? 37 GLY P N 1 ATOM 136 C CA . GLY A 1 19 ? 39.714 35.937 -5.745 1.00 23.00 ? 37 GLY P CA 1 ATOM 137 C C . GLY A 1 19 ? 39.430 36.762 -4.489 1.00 31.63 ? 37 GLY P C 1 ATOM 138 O O . GLY A 1 19 ? 39.388 36.333 -3.315 1.00 32.31 ? 37 GLY P O 1 ATOM 139 N N . CYS A 1 20 ? 39.042 38.001 -4.815 1.00 26.26 ? 38 CYS P N 1 ATOM 140 C CA . CYS A 1 20 ? 38.774 38.947 -3.739 1.00 27.19 ? 38 CYS P CA 1 ATOM 141 C C . CYS A 1 20 ? 37.390 38.737 -3.125 1.00 34.78 ? 38 CYS P C 1 ATOM 142 O O . CYS A 1 20 ? 36.999 39.587 -2.317 1.00 36.03 ? 38 CYS P O 1 ATOM 143 C CB . CYS A 1 20 ? 38.978 40.355 -4.323 1.00 20.55 ? 38 CYS P CB 1 ATOM 144 S SG . CYS A 1 20 ? 37.873 41.065 -5.568 1.00 30.77 ? 38 CYS P SG 1 ATOM 145 N N . TYR A 1 21 ? 36.544 37.810 -3.611 1.00 32.41 ? 39 TYR P N 1 ATOM 146 C CA . TYR A 1 21 ? 35.291 37.516 -2.996 1.00 27.02 ? 39 TYR P CA 1 ATOM 147 C C . TYR A 1 21 ? 35.402 36.116 -2.341 1.00 27.40 ? 39 TYR P C 1 ATOM 148 O O . TYR A 1 21 ? 34.370 35.702 -1.807 1.00 31.73 ? 39 TYR P O 1 ATOM 149 C CB . TYR A 1 21 ? 34.017 37.582 -3.712 1.00 29.49 ? 39 TYR P CB 1 ATOM 150 C CG . TYR A 1 21 ? 33.535 38.953 -4.046 1.00 25.17 ? 39 TYR P CG 1 ATOM 151 C CD1 . TYR A 1 21 ? 34.190 39.730 -4.951 1.00 20.27 ? 39 TYR P CD1 1 ATOM 152 C CD2 . TYR A 1 21 ? 32.348 39.413 -3.445 1.00 25.06 ? 39 TYR P CD2 1 ATOM 153 C CE1 . TYR A 1 21 ? 33.687 40.974 -5.272 1.00 20.99 ? 39 TYR P CE1 1 ATOM 154 C CE2 . TYR A 1 21 ? 31.828 40.649 -3.749 1.00 23.47 ? 39 TYR P CE2 1 ATOM 155 C CZ . TYR A 1 21 ? 32.556 41.442 -4.626 1.00 25.99 ? 39 TYR P CZ 1 ATOM 156 O OH . TYR A 1 21 ? 32.038 42.714 -4.953 1.00 21.82 ? 39 TYR P OH 1 ATOM 157 N N . GLY A 1 22 ? 36.673 35.650 -2.180 1.00 22.10 ? 40 GLY P N 1 ATOM 158 C CA . GLY A 1 22 ? 36.803 34.439 -1.369 1.00 15.95 ? 40 GLY P CA 1 ATOM 159 C C . GLY A 1 22 ? 37.218 33.229 -2.173 1.00 27.79 ? 40 GLY P C 1 ATOM 160 O O . GLY A 1 22 ? 37.654 32.255 -1.551 1.00 25.01 ? 40 GLY P O 1 ATOM 161 N N . HIS A 1 23 ? 37.010 33.192 -3.528 1.00 22.86 ? 41 HIS P N 1 ATOM 162 C CA . HIS A 1 23 ? 37.315 31.914 -4.128 1.00 23.49 ? 41 HIS P CA 1 ATOM 163 C C . HIS A 1 23 ? 38.665 31.334 -3.833 1.00 16.84 ? 41 HIS P C 1 ATOM 164 O O . HIS A 1 23 ? 39.643 32.031 -4.059 1.00 25.66 ? 41 HIS P O 1 ATOM 165 C CB . HIS A 1 23 ? 37.104 32.078 -5.629 1.00 19.08 ? 41 HIS P CB 1 ATOM 166 C CG . HIS A 1 23 ? 36.640 30.734 -6.115 1.00 21.38 ? 41 HIS P CG 1 ATOM 167 N ND1 . HIS A 1 23 ? 37.636 29.754 -6.389 1.00 29.84 ? 41 HIS P ND1 1 ATOM 168 C CD2 . HIS A 1 23 ? 35.409 30.187 -6.339 1.00 13.70 ? 41 HIS P CD2 1 ATOM 169 C CE1 . HIS A 1 23 ? 37.026 28.653 -6.789 1.00 20.26 ? 41 HIS P CE1 1 ATOM 170 N NE2 . HIS A 1 23 ? 35.718 28.900 -6.775 1.00 16.35 ? 41 HIS P NE2 1 ATOM 171 N N . PRO A 1 24 ? 38.841 30.055 -3.522 1.00 19.90 ? 42 PRO P N 1 ATOM 172 C CA . PRO A 1 24 ? 40.167 29.551 -3.224 1.00 23.06 ? 42 PRO P CA 1 ATOM 173 C C . PRO A 1 24 ? 40.989 29.246 -4.469 1.00 26.88 ? 42 PRO P C 1 ATOM 174 O O . PRO A 1 24 ? 42.044 28.618 -4.230 1.00 23.53 ? 42 PRO P O 1 ATOM 175 C CB . PRO A 1 24 ? 39.922 28.172 -2.571 1.00 28.19 ? 42 PRO P CB 1 ATOM 176 C CG . PRO A 1 24 ? 38.519 27.828 -3.012 1.00 20.58 ? 42 PRO P CG 1 ATOM 177 C CD . PRO A 1 24 ? 37.758 29.131 -3.152 1.00 18.15 ? 42 PRO P CD 1 ATOM 178 N N . SER A 1 25 ? 40.436 29.277 -5.718 1.00 26.82 ? 43 SER P N 1 ATOM 179 C CA . SER A 1 25 ? 41.317 28.701 -6.736 1.00 21.48 ? 43 SER P CA 1 ATOM 180 C C . SER A 1 25 ? 41.262 29.608 -7.989 1.00 25.40 ? 43 SER P C 1 ATOM 181 O O . SER A 1 25 ? 42.214 29.508 -8.700 1.00 27.42 ? 43 SER P O 1 ATOM 182 C CB . SER A 1 25 ? 41.118 27.282 -7.187 1.00 13.99 ? 43 SER P CB 1 ATOM 183 O OG . SER A 1 25 ? 39.809 27.164 -7.828 1.00 29.40 ? 43 SER P OG 1 ATOM 184 N N . SER A 1 26 ? 40.348 30.548 -8.032 1.00 22.73 ? 44 SER P N 1 ATOM 185 C CA . SER A 1 26 ? 40.364 31.457 -9.129 1.00 22.87 ? 44 SER P CA 1 ATOM 186 C C . SER A 1 26 ? 41.670 32.243 -9.171 1.00 28.63 ? 44 SER P C 1 ATOM 187 O O . SER A 1 26 ? 42.236 32.511 -8.143 1.00 26.73 ? 44 SER P O 1 ATOM 188 C CB . SER A 1 26 ? 39.266 32.521 -9.033 1.00 21.35 ? 44 SER P CB 1 ATOM 189 O OG . SER A 1 26 ? 38.019 31.958 -8.772 1.00 28.09 ? 44 SER P OG 1 ATOM 190 N N . THR A 1 27 ? 41.987 32.681 -10.402 1.00 39.79 ? 45 THR P N 1 ATOM 191 C CA . THR A 1 27 ? 43.138 33.550 -10.610 1.00 32.26 ? 45 THR P CA 1 ATOM 192 C C . THR A 1 27 ? 42.612 34.817 -11.225 1.00 34.53 ? 45 THR P C 1 ATOM 193 O O . THR A 1 27 ? 42.285 34.799 -12.400 1.00 24.89 ? 45 THR P O 1 ATOM 194 C CB . THR A 1 27 ? 44.078 32.908 -11.632 1.00 36.90 ? 45 THR P CB 1 ATOM 195 O OG1 . THR A 1 27 ? 44.705 31.807 -10.929 1.00 40.50 ? 45 THR P OG1 1 ATOM 196 C CG2 . THR A 1 27 ? 45.137 33.917 -12.068 1.00 37.67 ? 45 THR P CG2 1 ATOM 197 N N . THR A 1 28 ? 42.457 35.901 -10.465 1.00 32.54 ? 46 THR P N 1 ATOM 198 C CA . THR A 1 28 ? 41.960 37.186 -10.935 1.00 32.94 ? 46 THR P CA 1 ATOM 199 C C . THR A 1 28 ? 42.739 38.353 -10.327 1.00 34.37 ? 46 THR P C 1 ATOM 200 O O . THR A 1 28 ? 42.247 39.258 -9.607 1.00 41.44 ? 46 THR P O 1 ATOM 201 C CB . THR A 1 28 ? 40.443 37.260 -10.593 1.00 31.42 ? 46 THR P CB 1 ATOM 202 O OG1 . THR A 1 28 ? 40.267 37.211 -9.140 1.00 35.09 ? 46 THR P OG1 1 ATOM 203 C CG2 . THR A 1 28 ? 39.590 36.125 -11.132 1.00 24.80 ? 46 THR P CG2 1 ATOM 204 N N . PRO A 1 29 ? 44.040 38.436 -10.599 1.00 39.93 ? 47 PRO P N 1 ATOM 205 C CA . PRO A 1 29 ? 44.970 39.417 -10.024 1.00 38.74 ? 47 PRO P CA 1 ATOM 206 C C . PRO A 1 29 ? 44.683 40.865 -10.384 1.00 38.38 ? 47 PRO P C 1 ATOM 207 O O . PRO A 1 29 ? 44.564 41.732 -9.504 1.00 38.91 ? 47 PRO P O 1 ATOM 208 C CB . PRO A 1 29 ? 46.343 39.030 -10.543 1.00 40.12 ? 47 PRO P CB 1 ATOM 209 C CG . PRO A 1 29 ? 46.129 38.057 -11.628 1.00 38.51 ? 47 PRO P CG 1 ATOM 210 C CD . PRO A 1 29 ? 44.753 37.490 -11.540 1.00 39.69 ? 47 PRO P CD 1 ATOM 211 N N . ASN A 1 30 ? 44.257 41.117 -11.632 1.00 32.31 ? 48 ASN P N 1 ATOM 212 C CA . ASN A 1 30 ? 43.884 42.514 -11.906 1.00 29.51 ? 48 ASN P CA 1 ATOM 213 C C . ASN A 1 30 ? 42.666 42.909 -11.160 1.00 35.92 ? 48 ASN P C 1 ATOM 214 O O . ASN A 1 30 ? 42.728 44.002 -10.521 1.00 51.57 ? 48 ASN P O 1 ATOM 215 C CB . ASN A 1 30 ? 43.773 42.740 -13.427 1.00 33.72 ? 48 ASN P CB 1 ATOM 216 C CG . ASN A 1 30 ? 45.112 42.284 -14.021 1.00 43.73 ? 48 ASN P CG 1 ATOM 217 O OD1 . ASN A 1 30 ? 45.117 41.299 -14.751 1.00 52.02 ? 48 ASN P OD1 1 ATOM 218 N ND2 . ASN A 1 30 ? 46.254 42.832 -13.687 1.00 40.02 ? 48 ASN P ND2 1 ATOM 219 N N . LEU A 1 31 ? 41.572 42.143 -11.190 1.00 38.70 ? 49 LEU P N 1 ATOM 220 C CA . LEU A 1 31 ? 40.375 42.498 -10.391 1.00 32.69 ? 49 LEU P CA 1 ATOM 221 C C . LEU A 1 31 ? 40.665 42.583 -8.918 1.00 24.99 ? 49 LEU P C 1 ATOM 222 O O . LEU A 1 31 ? 40.179 43.556 -8.294 1.00 27.37 ? 49 LEU P O 1 ATOM 223 C CB . LEU A 1 31 ? 39.182 41.611 -10.733 1.00 23.52 ? 49 LEU P CB 1 ATOM 224 C CG . LEU A 1 31 ? 38.742 41.790 -12.179 1.00 28.25 ? 49 LEU P CG 1 ATOM 225 C CD1 . LEU A 1 31 ? 37.993 40.536 -12.659 1.00 30.05 ? 49 LEU P CD1 1 ATOM 226 C CD2 . LEU A 1 31 ? 37.892 43.075 -12.282 1.00 18.17 ? 49 LEU P CD2 1 ATOM 227 N N . ASP A 1 32 ? 41.542 41.726 -8.400 1.00 23.69 ? 50 ASP P N 1 ATOM 228 C CA . ASP A 1 32 ? 41.841 41.907 -6.962 1.00 30.12 ? 50 ASP P CA 1 ATOM 229 C C . ASP A 1 32 ? 42.512 43.244 -6.707 1.00 37.86 ? 50 ASP P C 1 ATOM 230 O O . ASP A 1 32 ? 42.292 43.993 -5.721 1.00 38.08 ? 50 ASP P O 1 ATOM 231 C CB . ASP A 1 32 ? 42.672 40.684 -6.521 1.00 31.30 ? 50 ASP P CB 1 ATOM 232 C CG . ASP A 1 32 ? 41.834 39.415 -6.589 1.00 35.99 ? 50 ASP P CG 1 ATOM 233 O OD1 . ASP A 1 32 ? 40.606 39.455 -6.880 1.00 37.31 ? 50 ASP P OD1 1 ATOM 234 O OD2 . ASP A 1 32 ? 42.350 38.316 -6.327 1.00 30.55 ? 50 ASP P OD2 1 ATOM 235 N N . GLN A 1 33 ? 43.353 43.673 -7.682 1.00 45.63 ? 51 GLN P N 1 ATOM 236 C CA . GLN A 1 33 ? 44.090 44.926 -7.470 1.00 46.81 ? 51 GLN P CA 1 ATOM 237 C C . GLN A 1 33 ? 43.154 46.078 -7.646 1.00 40.99 ? 51 GLN P C 1 ATOM 238 O O . GLN A 1 33 ? 43.128 47.094 -6.944 1.00 49.65 ? 51 GLN P O 1 ATOM 239 C CB . GLN A 1 33 ? 45.305 44.957 -8.323 1.00 55.03 ? 51 GLN P CB 1 ATOM 240 C CG . GLN A 1 33 ? 46.721 44.798 -7.810 1.00 68.57 ? 51 GLN P CG 1 ATOM 241 C CD . GLN A 1 33 ? 47.544 45.474 -8.921 1.00 80.21 ? 51 GLN P CD 1 ATOM 242 O OE1 . GLN A 1 33 ? 47.615 44.992 -10.060 1.00 84.29 ? 51 GLN P OE1 1 ATOM 243 N NE2 . GLN A 1 33 ? 48.122 46.640 -8.624 1.00 85.65 ? 51 GLN P NE2 1 ATOM 244 N N . LEU A 1 34 ? 42.220 45.901 -8.535 1.00 33.81 ? 52 LEU P N 1 ATOM 245 C CA . LEU A 1 34 ? 41.174 46.952 -8.713 1.00 43.12 ? 52 LEU P CA 1 ATOM 246 C C . LEU A 1 34 ? 40.316 47.043 -7.471 1.00 50.04 ? 52 LEU P C 1 ATOM 247 O O . LEU A 1 34 ? 39.708 48.093 -7.164 1.00 52.98 ? 52 LEU P O 1 ATOM 248 C CB . LEU A 1 34 ? 40.603 46.479 -10.018 1.00 51.00 ? 52 LEU P CB 1 ATOM 249 C CG . LEU A 1 34 ? 39.861 47.322 -11.035 1.00 61.32 ? 52 LEU P CG 1 ATOM 250 C CD1 . LEU A 1 34 ? 38.615 47.862 -10.304 1.00 63.47 ? 52 LEU P CD1 1 ATOM 251 C CD2 . LEU A 1 34 ? 40.726 48.416 -11.630 1.00 58.10 ? 52 LEU P CD2 1 ATOM 252 N N . ALA A 1 35 ? 40.221 46.036 -6.578 1.00 47.90 ? 53 ALA P N 1 ATOM 253 C CA . ALA A 1 35 ? 39.332 46.088 -5.416 1.00 43.37 ? 53 ALA P CA 1 ATOM 254 C C . ALA A 1 35 ? 40.091 46.696 -4.262 1.00 42.32 ? 53 ALA P C 1 ATOM 255 O O . ALA A 1 35 ? 39.613 47.462 -3.409 1.00 40.69 ? 53 ALA P O 1 ATOM 256 C CB . ALA A 1 35 ? 38.934 44.642 -5.033 1.00 44.80 ? 53 ALA P CB 1 ATOM 257 N N . ALA A 1 36 ? 41.342 46.189 -4.294 1.00 31.69 ? 54 ALA P N 1 ATOM 258 C CA . ALA A 1 36 ? 42.322 46.746 -3.373 1.00 40.02 ? 54 ALA P CA 1 ATOM 259 C C . ALA A 1 36 ? 42.475 48.249 -3.579 1.00 37.96 ? 54 ALA P C 1 ATOM 260 O O . ALA A 1 36 ? 42.382 48.940 -2.554 1.00 45.58 ? 54 ALA P O 1 ATOM 261 C CB . ALA A 1 36 ? 43.609 45.987 -3.526 1.00 42.34 ? 54 ALA P CB 1 ATOM 262 N N . GLY A 1 37 ? 42.384 48.849 -4.753 1.00 40.10 ? 55 GLY P N 1 ATOM 263 C CA . GLY A 1 37 ? 42.481 50.331 -4.778 1.00 38.53 ? 55 GLY P CA 1 ATOM 264 C C . GLY A 1 37 ? 41.171 51.000 -5.055 1.00 47.17 ? 55 GLY P C 1 ATOM 265 O O . GLY A 1 37 ? 41.172 52.122 -5.621 1.00 50.00 ? 55 GLY P O 1 ATOM 266 N N . GLY A 1 38 ? 40.041 50.349 -4.644 1.00 39.85 ? 56 GLY P N 1 ATOM 267 C CA . GLY A 1 38 ? 38.751 50.980 -5.023 1.00 34.29 ? 56 GLY P CA 1 ATOM 268 C C . GLY A 1 38 ? 37.637 50.533 -4.130 1.00 34.69 ? 56 GLY P C 1 ATOM 269 O O . GLY A 1 38 ? 37.896 50.019 -3.044 1.00 33.41 ? 56 GLY P O 1 ATOM 270 N N . LEU A 1 39 ? 36.400 50.807 -4.554 1.00 29.93 ? 57 LEU P N 1 ATOM 271 C CA . LEU A 1 39 ? 35.259 50.382 -3.713 1.00 33.79 ? 57 LEU P CA 1 ATOM 272 C C . LEU A 1 39 ? 34.675 49.033 -4.183 1.00 39.87 ? 57 LEU P C 1 ATOM 273 O O . LEU A 1 39 ? 34.370 48.786 -5.359 1.00 33.14 ? 57 LEU P O 1 ATOM 274 C CB . LEU A 1 39 ? 34.281 51.474 -3.874 1.00 26.63 ? 57 LEU P CB 1 ATOM 275 C CG . LEU A 1 39 ? 33.162 51.506 -2.878 1.00 37.15 ? 57 LEU P CG 1 ATOM 276 C CD1 . LEU A 1 39 ? 33.659 51.501 -1.409 1.00 35.63 ? 57 LEU P CD1 1 ATOM 277 C CD2 . LEU A 1 39 ? 32.364 52.758 -3.197 1.00 36.15 ? 57 LEU P CD2 1 ATOM 278 N N . ARG A 1 40 ? 34.718 48.061 -3.262 1.00 36.51 ? 58 ARG P N 1 ATOM 279 C CA . ARG A 1 40 ? 34.148 46.733 -3.410 1.00 35.00 ? 58 ARG P CA 1 ATOM 280 C C . ARG A 1 40 ? 32.764 46.710 -2.723 1.00 35.99 ? 58 ARG P C 1 ATOM 281 O O . ARG A 1 40 ? 32.580 47.095 -1.555 1.00 31.57 ? 58 ARG P O 1 ATOM 282 C CB . ARG A 1 40 ? 35.036 45.624 -2.873 1.00 29.66 ? 58 ARG P CB 1 ATOM 283 C CG . ARG A 1 40 ? 34.392 44.245 -2.998 1.00 31.76 ? 58 ARG P CG 1 ATOM 284 C CD . ARG A 1 40 ? 35.385 43.137 -2.762 1.00 28.23 ? 58 ARG P CD 1 ATOM 285 N NE . ARG A 1 40 ? 35.815 43.081 -1.392 1.00 33.36 ? 58 ARG P NE 1 ATOM 286 C CZ . ARG A 1 40 ? 35.082 42.468 -0.457 1.00 30.49 ? 58 ARG P CZ 1 ATOM 287 N NH1 . ARG A 1 40 ? 33.987 41.887 -0.863 1.00 24.19 ? 58 ARG P NH1 1 ATOM 288 N NH2 . ARG A 1 40 ? 35.462 42.395 0.791 1.00 30.49 ? 58 ARG P NH2 1 ATOM 289 N N . PHE A 1 41 ? 31.756 46.400 -3.553 1.00 32.22 ? 59 PHE P N 1 ATOM 290 C CA . PHE A 1 41 ? 30.448 46.313 -2.895 1.00 34.72 ? 59 PHE P CA 1 ATOM 291 C C . PHE A 1 41 ? 30.151 44.892 -2.333 1.00 34.36 ? 59 PHE P C 1 ATOM 292 O O . PHE A 1 41 ? 30.296 43.944 -3.121 1.00 29.34 ? 59 PHE P O 1 ATOM 293 C CB . PHE A 1 41 ? 29.340 46.657 -3.875 1.00 30.98 ? 59 PHE P CB 1 ATOM 294 C CG . PHE A 1 41 ? 29.361 48.058 -4.396 1.00 38.50 ? 59 PHE P CG 1 ATOM 295 C CD1 . PHE A 1 41 ? 30.416 48.486 -5.228 1.00 35.19 ? 59 PHE P CD1 1 ATOM 296 C CD2 . PHE A 1 41 ? 28.316 48.928 -4.085 1.00 35.76 ? 59 PHE P CD2 1 ATOM 297 C CE1 . PHE A 1 41 ? 30.388 49.781 -5.722 1.00 37.70 ? 59 PHE P CE1 1 ATOM 298 C CE2 . PHE A 1 41 ? 28.290 50.214 -4.571 1.00 30.25 ? 59 PHE P CE2 1 ATOM 299 C CZ . PHE A 1 41 ? 29.328 50.610 -5.390 1.00 38.16 ? 59 PHE P CZ 1 ATOM 300 N N . THR A 1 42 ? 29.480 44.777 -1.150 1.00 26.61 ? 60 THR P N 1 ATOM 301 C CA . THR A 1 42 ? 29.110 43.422 -0.730 1.00 25.01 ? 60 THR P CA 1 ATOM 302 C C . THR A 1 42 ? 27.648 43.035 -1.056 1.00 30.36 ? 60 THR P C 1 ATOM 303 O O . THR A 1 42 ? 27.266 41.834 -1.036 1.00 17.58 ? 60 THR P O 1 ATOM 304 C CB . THR A 1 42 ? 29.280 43.228 0.736 1.00 21.30 ? 60 THR P CB 1 ATOM 305 O OG1 . THR A 1 42 ? 28.571 44.257 1.486 1.00 22.98 ? 60 THR P OG1 1 ATOM 306 C CG2 . THR A 1 42 ? 30.737 43.214 1.190 1.00 19.94 ? 60 THR P CG2 1 ATOM 307 N N . ASP A 1 43 ? 26.859 44.056 -1.351 1.00 21.71 ? 61 ASP P N 1 ATOM 308 C CA . ASP A 1 43 ? 25.422 44.025 -1.497 1.00 16.62 ? 61 ASP P CA 1 ATOM 309 C C . ASP A 1 43 ? 25.030 44.758 -2.740 1.00 20.11 ? 61 ASP P C 1 ATOM 310 O O . ASP A 1 43 ? 24.141 45.574 -2.673 1.00 23.09 ? 61 ASP P O 1 ATOM 311 C CB . ASP A 1 43 ? 24.576 44.690 -0.333 1.00 14.22 ? 61 ASP P CB 1 ATOM 312 C CG . ASP A 1 43 ? 24.896 43.928 0.977 1.00 30.42 ? 61 ASP P CG 1 ATOM 313 O OD1 . ASP A 1 43 ? 26.099 43.819 1.358 1.00 25.62 ? 61 ASP P OD1 1 ATOM 314 O OD2 . ASP A 1 43 ? 23.995 43.362 1.682 1.00 29.16 ? 61 ASP P OD2 1 ATOM 315 N N . PHE A 1 44 ? 25.624 44.388 -3.911 1.00 26.51 ? 62 PHE P N 1 ATOM 316 C CA . PHE A 1 44 ? 25.150 45.027 -5.150 1.00 23.14 ? 62 PHE P CA 1 ATOM 317 C C . PHE A 1 44 ? 24.312 43.971 -5.844 1.00 30.33 ? 62 PHE P C 1 ATOM 318 O O . PHE A 1 44 ? 24.593 42.753 -5.964 1.00 26.40 ? 62 PHE P O 1 ATOM 319 C CB . PHE A 1 44 ? 26.475 45.489 -5.839 1.00 25.62 ? 62 PHE P CB 1 ATOM 320 C CG . PHE A 1 44 ? 26.163 46.164 -7.170 1.00 35.40 ? 62 PHE P CG 1 ATOM 321 C CD1 . PHE A 1 44 ? 25.878 45.376 -8.288 1.00 38.86 ? 62 PHE P CD1 1 ATOM 322 C CD2 . PHE A 1 44 ? 26.141 47.523 -7.370 1.00 35.90 ? 62 PHE P CD2 1 ATOM 323 C CE1 . PHE A 1 44 ? 25.499 45.900 -9.502 1.00 36.05 ? 62 PHE P CE1 1 ATOM 324 C CE2 . PHE A 1 44 ? 25.826 48.077 -8.597 1.00 38.88 ? 62 PHE P CE2 1 ATOM 325 C CZ . PHE A 1 44 ? 25.494 47.258 -9.657 1.00 39.09 ? 62 PHE P CZ 1 ATOM 326 N N . TYR A 1 45 ? 23.220 44.326 -6.521 1.00 21.34 ? 63 TYR P N 1 ATOM 327 C CA . TYR A 1 45 ? 22.282 43.517 -7.172 1.00 24.49 ? 63 TYR P CA 1 ATOM 328 C C . TYR A 1 45 ? 21.901 43.866 -8.586 1.00 32.05 ? 63 TYR P C 1 ATOM 329 O O . TYR A 1 45 ? 21.933 45.038 -8.963 1.00 36.13 ? 63 TYR P O 1 ATOM 330 C CB . TYR A 1 45 ? 20.906 43.815 -6.389 1.00 23.19 ? 63 TYR P CB 1 ATOM 331 C CG . TYR A 1 45 ? 20.912 43.209 -5.033 1.00 30.55 ? 63 TYR P CG 1 ATOM 332 C CD1 . TYR A 1 45 ? 21.425 43.890 -3.916 1.00 31.70 ? 63 TYR P CD1 1 ATOM 333 C CD2 . TYR A 1 45 ? 20.427 41.917 -4.866 1.00 28.91 ? 63 TYR P CD2 1 ATOM 334 C CE1 . TYR A 1 45 ? 21.456 43.290 -2.674 1.00 28.86 ? 63 TYR P CE1 1 ATOM 335 C CE2 . TYR A 1 45 ? 20.492 41.303 -3.627 1.00 29.16 ? 63 TYR P CE2 1 ATOM 336 C CZ . TYR A 1 45 ? 20.971 42.007 -2.539 1.00 35.73 ? 63 TYR P CZ 1 ATOM 337 O OH . TYR A 1 45 ? 20.982 41.402 -1.311 1.00 32.60 ? 63 TYR P OH 1 ATOM 338 N N . VAL A 1 46 ? 21.255 42.888 -9.240 1.00 25.49 ? 64 VAL P N 1 ATOM 339 C CA . VAL A 1 46 ? 20.550 43.032 -10.489 1.00 26.72 ? 64 VAL P CA 1 ATOM 340 C C . VAL A 1 46 ? 19.111 42.579 -10.201 1.00 31.16 ? 64 VAL P C 1 ATOM 341 O O . VAL A 1 46 ? 18.784 41.823 -9.289 1.00 35.52 ? 64 VAL P O 1 ATOM 342 C CB . VAL A 1 46 ? 21.162 42.240 -11.633 1.00 23.06 ? 64 VAL P CB 1 ATOM 343 C CG1 . VAL A 1 46 ? 22.577 42.789 -11.970 1.00 19.65 ? 64 VAL P CG1 1 ATOM 344 C CG2 . VAL A 1 46 ? 21.159 40.754 -11.270 1.00 19.06 ? 64 VAL P CG2 1 ATOM 345 N N . PRO A 1 47 ? 18.151 43.097 -10.913 1.00 34.08 ? 65 PRO P N 1 ATOM 346 C CA . PRO A 1 47 ? 16.769 42.828 -10.571 1.00 26.97 ? 65 PRO P CA 1 ATOM 347 C C . PRO A 1 47 ? 16.168 41.593 -11.141 1.00 28.97 ? 65 PRO P C 1 ATOM 348 O O . PRO A 1 47 ? 15.057 41.228 -10.705 1.00 34.08 ? 65 PRO P O 1 ATOM 349 C CB . PRO A 1 47 ? 16.118 44.153 -11.045 1.00 34.72 ? 65 PRO P CB 1 ATOM 350 C CG . PRO A 1 47 ? 16.878 44.521 -12.274 1.00 25.57 ? 65 PRO P CG 1 ATOM 351 C CD . PRO A 1 47 ? 18.329 44.157 -11.980 1.00 30.56 ? 65 PRO P CD 1 ATOM 352 N N . VAL A 1 48 ? 16.720 40.936 -12.145 1.00 27.28 ? 66 VAL P N 1 ATOM 353 C CA . VAL A 1 48 ? 16.267 39.681 -12.731 1.00 26.38 ? 66 VAL P CA 1 ATOM 354 C C . VAL A 1 48 ? 17.446 38.787 -13.120 1.00 27.07 ? 66 VAL P C 1 ATOM 355 O O . VAL A 1 48 ? 18.409 39.377 -13.543 1.00 26.17 ? 66 VAL P O 1 ATOM 356 C CB . VAL A 1 48 ? 15.465 39.836 -14.032 1.00 29.73 ? 66 VAL P CB 1 ATOM 357 C CG1 . VAL A 1 48 ? 14.997 38.475 -14.579 1.00 23.50 ? 66 VAL P CG1 1 ATOM 358 C CG2 . VAL A 1 48 ? 14.288 40.789 -13.814 1.00 14.02 ? 66 VAL P CG2 1 ATOM 359 N N . SER A 1 49 ? 17.518 37.469 -12.854 1.00 26.65 ? 67 SER P N 1 ATOM 360 C CA . SER A 1 49 ? 18.739 36.743 -13.082 1.00 27.97 ? 67 SER P CA 1 ATOM 361 C C . SER A 1 49 ? 18.848 35.959 -14.372 1.00 28.01 ? 67 SER P C 1 ATOM 362 O O . SER A 1 49 ? 19.342 34.835 -14.412 1.00 32.47 ? 67 SER P O 1 ATOM 363 C CB . SER A 1 49 ? 19.154 35.809 -11.919 1.00 23.68 ? 67 SER P CB 1 ATOM 364 O OG . SER A 1 49 ? 17.989 35.046 -11.697 1.00 34.92 ? 67 SER P OG 1 ATOM 365 N N . LEU A 1 50 ? 18.471 36.624 -15.418 1.00 27.25 ? 68 LEU P N 1 ATOM 366 C CA . LEU A 1 50 ? 18.719 36.244 -16.802 1.00 32.11 ? 68 LEU P CA 1 ATOM 367 C C . LEU A 1 50 ? 19.414 37.367 -17.582 1.00 31.31 ? 68 LEU P C 1 ATOM 368 O O . LEU A 1 50 ? 19.142 38.577 -17.338 1.00 31.03 ? 68 LEU P O 1 ATOM 369 C CB . LEU A 1 50 ? 17.398 35.989 -17.543 1.00 29.08 ? 68 LEU P CB 1 ATOM 370 C CG . LEU A 1 50 ? 16.832 34.626 -17.280 1.00 29.62 ? 68 LEU P CG 1 ATOM 371 C CD1 . LEU A 1 50 ? 15.732 34.378 -18.249 1.00 33.02 ? 68 LEU P CD1 1 ATOM 372 C CD2 . LEU A 1 50 ? 17.869 33.559 -17.313 1.00 25.34 ? 68 LEU P CD2 1 HETATM 373 N N . DDZ A 1 51 ? 20.097 36.998 -18.653 1.00 31.42 ? 69 DDZ P N 1 HETATM 374 C CA . DDZ A 1 51 ? 20.841 37.893 -19.550 1.00 28.81 ? 69 DDZ P CA 1 HETATM 375 C C . DDZ A 1 51 ? 20.136 39.077 -20.226 1.00 28.86 ? 69 DDZ P C 1 HETATM 376 O O . DDZ A 1 51 ? 20.555 40.225 -20.014 1.00 28.03 ? 69 DDZ P O 1 HETATM 377 O OG1 . DDZ A 1 51 ? 22.354 36.038 -20.169 1.00 28.50 ? 69 DDZ P OG1 1 HETATM 378 O OG2 . DDZ A 1 51 ? 22.064 38.048 -21.490 1.00 33.27 ? 69 DDZ P OG2 1 HETATM 379 C CB . DDZ A 1 51 ? 21.496 36.989 -20.688 1.00 32.05 ? 69 DDZ P CB 1 ATOM 380 N N . THR A 1 52 ? 19.066 38.853 -21.003 1.00 27.70 ? 70 THR P N 1 ATOM 381 C CA . THR A 1 52 ? 18.412 39.950 -21.651 1.00 23.60 ? 70 THR P CA 1 ATOM 382 C C . THR A 1 52 ? 17.890 40.955 -20.681 1.00 29.93 ? 70 THR P C 1 ATOM 383 O O . THR A 1 52 ? 18.296 42.126 -20.626 1.00 39.68 ? 70 THR P O 1 ATOM 384 C CB . THR A 1 52 ? 17.292 39.453 -22.596 1.00 27.58 ? 70 THR P CB 1 ATOM 385 O OG1 . THR A 1 52 ? 17.983 38.677 -23.550 1.00 30.02 ? 70 THR P OG1 1 ATOM 386 C CG2 . THR A 1 52 ? 16.368 40.503 -23.220 1.00 18.69 ? 70 THR P CG2 1 ATOM 387 N N . PRO A 1 53 ? 16.990 40.528 -19.819 1.00 33.20 ? 71 PRO P N 1 ATOM 388 C CA . PRO A 1 53 ? 16.345 41.429 -18.837 1.00 30.36 ? 71 PRO P CA 1 ATOM 389 C C . PRO A 1 53 ? 17.400 42.129 -18.033 1.00 28.00 ? 71 PRO P C 1 ATOM 390 O O . PRO A 1 53 ? 17.262 43.355 -17.827 1.00 23.32 ? 71 PRO P O 1 ATOM 391 C CB . PRO A 1 53 ? 15.370 40.530 -18.116 1.00 28.27 ? 71 PRO P CB 1 ATOM 392 C CG . PRO A 1 53 ? 16.194 39.264 -18.149 1.00 33.87 ? 71 PRO P CG 1 ATOM 393 C CD . PRO A 1 53 ? 16.444 39.163 -19.673 1.00 27.06 ? 71 PRO P CD 1 ATOM 394 N N . SER A 1 54 ? 18.512 41.454 -17.684 1.00 29.36 ? 72 SER P N 1 ATOM 395 C CA . SER A 1 54 ? 19.519 42.199 -16.849 1.00 27.61 ? 72 SER P CA 1 ATOM 396 C C . SER A 1 54 ? 20.167 43.298 -17.687 1.00 35.31 ? 72 SER P C 1 ATOM 397 O O . SER A 1 54 ? 20.210 44.509 -17.317 1.00 35.94 ? 72 SER P O 1 ATOM 398 C CB . SER A 1 54 ? 20.390 41.174 -16.263 1.00 23.88 ? 72 SER P CB 1 ATOM 399 O OG . SER A 1 54 ? 21.488 41.685 -15.525 1.00 31.92 ? 72 SER P OG 1 ATOM 400 N N . ARG A 1 55 ? 20.551 42.945 -18.921 1.00 33.25 ? 73 ARG P N 1 ATOM 401 C CA . ARG A 1 55 ? 21.136 43.905 -19.859 1.00 31.90 ? 73 ARG P CA 1 ATOM 402 C C . ARG A 1 55 ? 20.184 45.073 -20.158 1.00 29.69 ? 73 ARG P C 1 ATOM 403 O O . ARG A 1 55 ? 20.644 46.214 -20.124 1.00 29.05 ? 73 ARG P O 1 ATOM 404 C CB . ARG A 1 55 ? 21.573 43.147 -21.092 1.00 19.13 ? 73 ARG P CB 1 ATOM 405 C CG . ARG A 1 55 ? 22.842 42.358 -20.841 1.00 19.47 ? 73 ARG P CG 1 ATOM 406 C CD . ARG A 1 55 ? 22.868 41.118 -21.794 1.00 15.70 ? 73 ARG P CD 1 ATOM 407 N NE . ARG A 1 55 ? 23.967 40.329 -21.302 1.00 19.55 ? 73 ARG P NE 1 ATOM 408 C CZ . ARG A 1 55 ? 25.254 40.281 -21.152 1.00 31.45 ? 73 ARG P CZ 1 ATOM 409 N NH1 . ARG A 1 55 ? 25.875 41.224 -21.828 1.00 30.10 ? 73 ARG P NH1 1 ATOM 410 N NH2 . ARG A 1 55 ? 25.892 39.329 -20.417 1.00 26.28 ? 73 ARG P NH2 1 ATOM 411 N N . ALA A 1 56 ? 18.871 44.871 -20.288 1.00 28.51 ? 74 ALA P N 1 ATOM 412 C CA . ALA A 1 56 ? 17.960 45.972 -20.501 1.00 29.91 ? 74 ALA P CA 1 ATOM 413 C C . ALA A 1 56 ? 17.963 46.894 -19.293 1.00 40.01 ? 74 ALA P C 1 ATOM 414 O O . ALA A 1 56 ? 17.960 48.093 -19.475 1.00 47.64 ? 74 ALA P O 1 ATOM 415 C CB . ALA A 1 56 ? 16.494 45.492 -20.552 1.00 22.46 ? 74 ALA P CB 1 ATOM 416 N N . ALA A 1 57 ? 18.016 46.330 -18.078 1.00 40.82 ? 75 ALA P N 1 ATOM 417 C CA . ALA A 1 57 ? 17.853 47.156 -16.898 1.00 38.38 ? 75 ALA P CA 1 ATOM 418 C C . ALA A 1 57 ? 19.025 48.078 -16.669 1.00 36.52 ? 75 ALA P C 1 ATOM 419 O O . ALA A 1 57 ? 18.828 49.193 -16.197 1.00 37.72 ? 75 ALA P O 1 ATOM 420 C CB . ALA A 1 57 ? 17.681 46.276 -15.657 1.00 35.30 ? 75 ALA P CB 1 ATOM 421 N N . LEU A 1 58 ? 20.218 47.531 -16.854 1.00 30.61 ? 76 LEU P N 1 ATOM 422 C CA . LEU A 1 58 ? 21.455 48.256 -16.727 1.00 36.69 ? 76 LEU P CA 1 ATOM 423 C C . LEU A 1 58 ? 21.421 49.446 -17.702 1.00 42.63 ? 76 LEU P C 1 ATOM 424 O O . LEU A 1 58 ? 21.817 50.546 -17.278 1.00 45.90 ? 76 LEU P O 1 ATOM 425 C CB . LEU A 1 58 ? 22.640 47.430 -17.186 1.00 35.87 ? 76 LEU P CB 1 ATOM 426 C CG . LEU A 1 58 ? 24.031 47.989 -17.118 1.00 40.09 ? 76 LEU P CG 1 ATOM 427 C CD1 . LEU A 1 58 ? 24.600 47.845 -15.731 1.00 39.45 ? 76 LEU P CD1 1 ATOM 428 C CD2 . LEU A 1 58 ? 24.961 47.090 -17.968 1.00 31.84 ? 76 LEU P CD2 1 ATOM 429 N N . LEU A 1 59 ? 21.042 49.222 -18.965 1.00 46.40 ? 77 LEU P N 1 ATOM 430 C CA . LEU A 1 59 ? 21.219 50.289 -19.961 1.00 42.91 ? 77 LEU P CA 1 ATOM 431 C C . LEU A 1 59 ? 20.123 51.331 -19.824 1.00 42.23 ? 77 LEU P C 1 ATOM 432 O O . LEU A 1 59 ? 20.448 52.410 -20.287 1.00 36.35 ? 77 LEU P O 1 ATOM 433 C CB . LEU A 1 59 ? 21.279 49.770 -21.425 1.00 38.12 ? 77 LEU P CB 1 ATOM 434 C CG . LEU A 1 59 ? 22.517 48.895 -21.652 1.00 44.03 ? 77 LEU P CG 1 ATOM 435 C CD1 . LEU A 1 59 ? 22.612 48.201 -22.964 1.00 33.22 ? 77 LEU P CD1 1 ATOM 436 C CD2 . LEU A 1 59 ? 23.767 49.725 -21.425 1.00 44.22 ? 77 LEU P CD2 1 ATOM 437 N N . THR A 1 60 ? 18.912 50.982 -19.360 1.00 38.07 ? 78 THR P N 1 ATOM 438 C CA . THR A 1 60 ? 17.889 52.002 -19.270 1.00 36.62 ? 78 THR P CA 1 ATOM 439 C C . THR A 1 60 ? 17.605 52.516 -17.873 1.00 39.58 ? 78 THR P C 1 ATOM 440 O O . THR A 1 60 ? 16.693 53.345 -17.721 1.00 43.88 ? 78 THR P O 1 ATOM 441 C CB . THR A 1 60 ? 16.551 51.446 -19.774 1.00 40.02 ? 78 THR P CB 1 ATOM 442 O OG1 . THR A 1 60 ? 16.220 50.369 -18.924 1.00 40.30 ? 78 THR P OG1 1 ATOM 443 C CG2 . THR A 1 60 ? 16.646 50.883 -21.177 1.00 43.87 ? 78 THR P CG2 1 ATOM 444 N N . GLY A 1 61 ? 18.237 51.889 -16.852 1.00 34.47 ? 79 GLY P N 1 ATOM 445 C CA . GLY A 1 61 ? 17.850 52.155 -15.481 1.00 31.96 ? 79 GLY P CA 1 ATOM 446 C C . GLY A 1 61 ? 16.362 51.836 -15.229 1.00 27.43 ? 79 GLY P C 1 ATOM 447 O O . GLY A 1 61 ? 15.712 52.448 -14.375 1.00 33.70 ? 79 GLY P O 1 ATOM 448 N N . ARG A 1 62 ? 15.762 50.879 -15.916 1.00 27.77 ? 80 ARG P N 1 ATOM 449 C CA . ARG A 1 62 ? 14.349 50.647 -15.760 1.00 30.70 ? 80 ARG P CA 1 ATOM 450 C C . ARG A 1 62 ? 14.028 49.153 -15.570 1.00 32.85 ? 80 ARG P C 1 ATOM 451 O O . ARG A 1 62 ? 14.678 48.390 -16.255 1.00 34.96 ? 80 ARG P O 1 ATOM 452 C CB . ARG A 1 62 ? 13.548 51.091 -16.959 1.00 29.90 ? 80 ARG P CB 1 ATOM 453 C CG . ARG A 1 62 ? 12.999 52.498 -16.794 1.00 37.39 ? 80 ARG P CG 1 ATOM 454 C CD . ARG A 1 62 ? 13.184 53.229 -18.161 1.00 37.24 ? 80 ARG P CD 1 ATOM 455 N NE . ARG A 1 62 ? 12.196 52.687 -19.089 1.00 33.36 ? 80 ARG P NE 1 ATOM 456 C CZ . ARG A 1 62 ? 10.899 52.976 -18.928 1.00 39.88 ? 80 ARG P CZ 1 ATOM 457 N NH1 . ARG A 1 62 ? 10.616 53.788 -17.931 1.00 36.56 ? 80 ARG P NH1 1 ATOM 458 N NH2 . ARG A 1 62 ? 9.902 52.528 -19.683 1.00 39.20 ? 80 ARG P NH2 1 ATOM 459 N N . LEU A 1 63 ? 13.063 48.758 -14.768 1.00 36.00 ? 81 LEU P N 1 ATOM 460 C CA . LEU A 1 63 ? 12.751 47.362 -14.535 1.00 26.24 ? 81 LEU P CA 1 ATOM 461 C C . LEU A 1 63 ? 12.342 46.884 -15.916 1.00 24.73 ? 81 LEU P C 1 ATOM 462 O O . LEU A 1 63 ? 11.393 47.260 -16.634 1.00 29.38 ? 81 LEU P O 1 ATOM 463 C CB . LEU A 1 63 ? 11.658 47.308 -13.458 1.00 27.25 ? 81 LEU P CB 1 ATOM 464 C CG . LEU A 1 63 ? 11.949 47.505 -12.003 1.00 28.81 ? 81 LEU P CG 1 ATOM 465 C CD1 . LEU A 1 63 ? 10.695 47.893 -11.189 1.00 22.03 ? 81 LEU P CD1 1 ATOM 466 C CD2 . LEU A 1 63 ? 12.611 46.295 -11.398 1.00 29.29 ? 81 LEU P CD2 1 ATOM 467 N N . PRO A 1 64 ? 12.822 45.674 -16.239 1.00 31.73 ? 82 PRO P N 1 ATOM 468 C CA . PRO A 1 64 ? 12.563 45.022 -17.549 1.00 25.91 ? 82 PRO P CA 1 ATOM 469 C C . PRO A 1 64 ? 11.112 44.865 -17.839 1.00 29.37 ? 82 PRO P C 1 ATOM 470 O O . PRO A 1 64 ? 10.791 44.735 -18.994 1.00 45.13 ? 82 PRO P O 1 ATOM 471 C CB . PRO A 1 64 ? 13.141 43.629 -17.351 1.00 27.40 ? 82 PRO P CB 1 ATOM 472 C CG . PRO A 1 64 ? 14.312 43.910 -16.400 1.00 25.57 ? 82 PRO P CG 1 ATOM 473 C CD . PRO A 1 64 ? 13.754 44.914 -15.362 1.00 18.02 ? 82 PRO P CD 1 ATOM 474 N N . VAL A 1 65 ? 10.187 44.781 -16.882 1.00 30.43 ? 83 VAL P N 1 ATOM 475 C CA . VAL A 1 65 ? 8.816 44.445 -17.324 1.00 36.55 ? 83 VAL P CA 1 ATOM 476 C C . VAL A 1 65 ? 8.195 45.714 -17.898 1.00 38.91 ? 83 VAL P C 1 ATOM 477 O O . VAL A 1 65 ? 7.125 45.666 -18.512 1.00 36.27 ? 83 VAL P O 1 ATOM 478 C CB . VAL A 1 65 ? 7.976 43.964 -16.121 1.00 33.40 ? 83 VAL P CB 1 ATOM 479 C CG1 . VAL A 1 65 ? 8.223 42.535 -15.662 1.00 30.59 ? 83 VAL P CG1 1 ATOM 480 C CG2 . VAL A 1 65 ? 8.217 44.926 -14.966 1.00 34.50 ? 83 VAL P CG2 1 ATOM 481 N N . ARG A 1 66 ? 8.784 46.882 -17.578 1.00 30.06 ? 84 ARG P N 1 ATOM 482 C CA . ARG A 1 66 ? 8.204 48.138 -18.011 1.00 36.42 ? 84 ARG P CA 1 ATOM 483 C C . ARG A 1 66 ? 8.262 48.131 -19.548 1.00 43.39 ? 84 ARG P C 1 ATOM 484 O O . ARG A 1 66 ? 7.290 48.565 -20.106 1.00 45.26 ? 84 ARG P O 1 ATOM 485 C CB . ARG A 1 66 ? 8.974 49.361 -17.493 1.00 34.91 ? 84 ARG P CB 1 ATOM 486 C CG . ARG A 1 66 ? 8.864 49.553 -15.972 1.00 37.85 ? 84 ARG P CG 1 ATOM 487 C CD . ARG A 1 66 ? 9.233 50.965 -15.598 1.00 39.80 ? 84 ARG P CD 1 ATOM 488 N NE . ARG A 1 66 ? 9.470 51.291 -14.172 1.00 39.55 ? 84 ARG P NE 1 ATOM 489 C CZ . ARG A 1 66 ? 8.383 51.506 -13.442 1.00 36.75 ? 84 ARG P CZ 1 ATOM 490 N NH1 . ARG A 1 66 ? 7.179 51.405 -13.983 1.00 37.41 ? 84 ARG P NH1 1 ATOM 491 N NH2 . ARG A 1 66 ? 8.392 51.754 -12.176 1.00 41.51 ? 84 ARG P NH2 1 ATOM 492 N N . MET A 1 67 ? 9.306 47.618 -20.182 1.00 44.79 ? 85 MET P N 1 ATOM 493 C CA . MET A 1 67 ? 9.455 47.619 -21.594 1.00 47.93 ? 85 MET P CA 1 ATOM 494 C C . MET A 1 67 ? 9.328 46.264 -22.269 1.00 42.38 ? 85 MET P C 1 ATOM 495 O O . MET A 1 67 ? 9.929 46.109 -23.334 1.00 44.83 ? 85 MET P O 1 ATOM 496 C CB . MET A 1 67 ? 10.796 48.166 -22.178 1.00 35.36 ? 85 MET P CB 1 ATOM 497 C CG . MET A 1 67 ? 11.476 48.843 -21.009 1.00 49.94 ? 85 MET P CG 1 ATOM 498 S SD . MET A 1 67 ? 12.647 47.596 -20.473 1.00 55.56 ? 85 MET P SD 1 ATOM 499 C CE . MET A 1 67 ? 13.707 48.788 -19.580 1.00 46.95 ? 85 MET P CE 1 ATOM 500 N N . GLY A 1 68 ? 8.600 45.364 -21.688 1.00 32.23 ? 86 GLY P N 1 ATOM 501 C CA . GLY A 1 68 ? 8.428 44.107 -22.430 1.00 33.33 ? 86 GLY P CA 1 ATOM 502 C C . GLY A 1 68 ? 9.621 43.186 -22.488 1.00 35.47 ? 86 GLY P C 1 ATOM 503 O O . GLY A 1 68 ? 9.422 42.216 -23.254 1.00 33.67 ? 86 GLY P O 1 ATOM 504 N N . MET A 1 69 ? 10.723 43.336 -21.741 1.00 34.09 ? 87 MET P N 1 ATOM 505 C CA . MET A 1 69 ? 11.853 42.402 -21.822 1.00 28.94 ? 87 MET P CA 1 ATOM 506 C C . MET A 1 69 ? 11.666 41.141 -20.963 1.00 31.81 ? 87 MET P C 1 ATOM 507 O O . MET A 1 69 ? 12.437 40.824 -20.049 1.00 33.75 ? 87 MET P O 1 ATOM 508 C CB . MET A 1 69 ? 13.135 43.122 -21.411 1.00 27.13 ? 87 MET P CB 1 ATOM 509 C CG . MET A 1 69 ? 13.636 44.272 -22.288 1.00 36.15 ? 87 MET P CG 1 ATOM 510 S SD . MET A 1 69 ? 13.162 44.056 -24.068 1.00 48.90 ? 87 MET P SD 1 ATOM 511 C CE . MET A 1 69 ? 14.351 42.805 -24.401 1.00 28.45 ? 87 MET P CE 1 ATOM 512 N N . TYR A 1 70 ? 10.672 40.311 -21.226 1.00 27.34 ? 88 TYR P N 1 ATOM 513 C CA . TYR A 1 70 ? 10.370 39.081 -20.549 1.00 32.39 ? 88 TYR P CA 1 ATOM 514 C C . TYR A 1 70 ? 9.444 38.380 -21.537 1.00 36.36 ? 88 TYR P C 1 ATOM 515 O O . TYR A 1 70 ? 8.856 39.166 -22.296 1.00 35.30 ? 88 TYR P O 1 ATOM 516 C CB . TYR A 1 70 ? 9.417 39.327 -19.363 1.00 28.11 ? 88 TYR P CB 1 ATOM 517 C CG . TYR A 1 70 ? 8.112 40.004 -19.655 1.00 32.22 ? 88 TYR P CG 1 ATOM 518 C CD1 . TYR A 1 70 ? 7.950 41.394 -19.668 1.00 32.39 ? 88 TYR P CD1 1 ATOM 519 C CD2 . TYR A 1 70 ? 6.991 39.250 -19.944 1.00 30.06 ? 88 TYR P CD2 1 ATOM 520 C CE1 . TYR A 1 70 ? 6.725 41.987 -19.973 1.00 28.01 ? 88 TYR P CE1 1 ATOM 521 C CE2 . TYR A 1 70 ? 5.769 39.821 -20.211 1.00 30.95 ? 88 TYR P CE2 1 ATOM 522 C CZ . TYR A 1 70 ? 5.647 41.207 -20.225 1.00 34.10 ? 88 TYR P CZ 1 ATOM 523 O OH . TYR A 1 70 ? 4.401 41.759 -20.517 1.00 39.54 ? 88 TYR P OH 1 ATOM 524 N N . PRO A 1 71 ? 9.242 37.103 -21.304 1.00 36.04 ? 89 PRO P N 1 ATOM 525 C CA . PRO A 1 71 ? 9.956 36.314 -20.316 1.00 34.38 ? 89 PRO P CA 1 ATOM 526 C C . PRO A 1 71 ? 11.233 35.719 -20.910 1.00 32.94 ? 89 PRO P C 1 ATOM 527 O O . PRO A 1 71 ? 11.318 35.811 -22.105 1.00 33.76 ? 89 PRO P O 1 ATOM 528 C CB . PRO A 1 71 ? 9.075 35.044 -20.131 1.00 27.77 ? 89 PRO P CB 1 ATOM 529 C CG . PRO A 1 71 ? 8.270 34.984 -21.403 1.00 30.61 ? 89 PRO P CG 1 ATOM 530 C CD . PRO A 1 71 ? 8.281 36.326 -22.101 1.00 27.10 ? 89 PRO P CD 1 ATOM 531 N N . GLY A 1 72 ? 11.981 34.840 -20.321 1.00 30.76 ? 90 GLY P N 1 ATOM 532 C CA . GLY A 1 72 ? 13.126 34.248 -20.903 1.00 31.71 ? 90 GLY P CA 1 ATOM 533 C C . GLY A 1 72 ? 14.093 35.299 -21.458 1.00 33.59 ? 90 GLY P C 1 ATOM 534 O O . GLY A 1 72 ? 14.402 36.264 -20.827 1.00 37.32 ? 90 GLY P O 1 ATOM 535 N N . VAL A 1 73 ? 14.843 34.963 -22.494 1.00 35.51 ? 91 VAL P N 1 ATOM 536 C CA . VAL A 1 73 ? 15.831 35.803 -23.139 1.00 33.96 ? 91 VAL P CA 1 ATOM 537 C C . VAL A 1 73 ? 15.564 35.830 -24.649 1.00 32.10 ? 91 VAL P C 1 ATOM 538 O O . VAL A 1 73 ? 14.850 34.954 -25.083 1.00 30.17 ? 91 VAL P O 1 ATOM 539 C CB . VAL A 1 73 ? 17.237 35.256 -22.928 1.00 32.32 ? 91 VAL P CB 1 ATOM 540 C CG1 . VAL A 1 73 ? 17.670 35.433 -21.484 1.00 34.97 ? 91 VAL P CG1 1 ATOM 541 C CG2 . VAL A 1 73 ? 17.338 33.819 -23.394 1.00 24.70 ? 91 VAL P CG2 1 ATOM 542 N N . LEU A 1 74 ? 16.026 36.775 -25.436 1.00 35.44 ? 92 LEU P N 1 ATOM 543 C CA . LEU A 1 74 ? 15.880 36.710 -26.877 1.00 27.82 ? 92 LEU P CA 1 ATOM 544 C C . LEU A 1 74 ? 16.783 35.688 -27.553 1.00 26.55 ? 92 LEU P C 1 ATOM 545 O O . LEU A 1 74 ? 17.792 35.130 -27.014 1.00 32.03 ? 92 LEU P O 1 ATOM 546 C CB . LEU A 1 74 ? 16.258 38.093 -27.391 1.00 28.34 ? 92 LEU P CB 1 ATOM 547 C CG . LEU A 1 74 ? 15.261 39.146 -26.959 1.00 31.66 ? 92 LEU P CG 1 ATOM 548 C CD1 . LEU A 1 74 ? 15.916 40.484 -27.138 1.00 29.41 ? 92 LEU P CD1 1 ATOM 549 C CD2 . LEU A 1 74 ? 13.908 38.886 -27.667 1.00 29.14 ? 92 LEU P CD2 1 ATOM 550 N N . VAL A 1 75 ? 16.325 35.243 -28.714 1.00 36.00 ? 93 VAL P N 1 ATOM 551 C CA . VAL A 1 75 ? 17.095 34.220 -29.501 1.00 39.90 ? 93 VAL P CA 1 ATOM 552 C C . VAL A 1 75 ? 17.413 34.849 -30.842 1.00 37.34 ? 93 VAL P C 1 ATOM 553 O O . VAL A 1 75 ? 16.753 35.852 -31.233 1.00 37.43 ? 93 VAL P O 1 ATOM 554 C CB . VAL A 1 75 ? 16.157 33.027 -29.780 1.00 39.63 ? 93 VAL P CB 1 ATOM 555 C CG1 . VAL A 1 75 ? 15.842 32.194 -28.547 1.00 33.41 ? 93 VAL P CG1 1 ATOM 556 C CG2 . VAL A 1 75 ? 14.835 33.670 -30.197 1.00 33.72 ? 93 VAL P CG2 1 ATOM 557 N N . PRO A 1 76 ? 18.204 34.185 -31.657 1.00 38.06 ? 94 PRO P N 1 ATOM 558 C CA . PRO A 1 76 ? 18.526 34.706 -33.022 1.00 35.60 ? 94 PRO P CA 1 ATOM 559 C C . PRO A 1 76 ? 17.310 34.947 -33.875 1.00 36.57 ? 94 PRO P C 1 ATOM 560 O O . PRO A 1 76 ? 17.285 36.068 -34.439 1.00 37.63 ? 94 PRO P O 1 ATOM 561 C CB . PRO A 1 76 ? 19.525 33.743 -33.551 1.00 31.02 ? 94 PRO P CB 1 ATOM 562 C CG . PRO A 1 76 ? 20.223 33.341 -32.227 1.00 37.05 ? 94 PRO P CG 1 ATOM 563 C CD . PRO A 1 76 ? 18.977 32.961 -31.418 1.00 33.97 ? 94 PRO P CD 1 ATOM 564 N N . SER A 1 77 ? 16.253 34.166 -33.859 1.00 33.41 ? 95 SER P N 1 ATOM 565 C CA . SER A 1 77 ? 15.124 34.399 -34.739 1.00 35.76 ? 95 SER P CA 1 ATOM 566 C C . SER A 1 77 ? 14.077 35.365 -34.274 1.00 39.35 ? 95 SER P C 1 ATOM 567 O O . SER A 1 77 ? 13.015 35.524 -34.890 1.00 36.98 ? 95 SER P O 1 ATOM 568 C CB . SER A 1 77 ? 14.334 33.107 -35.060 1.00 30.71 ? 95 SER P CB 1 ATOM 569 O OG . SER A 1 77 ? 15.329 32.186 -35.568 1.00 44.23 ? 95 SER P OG 1 ATOM 570 N N . SER A 1 78 ? 14.404 35.886 -33.105 1.00 43.26 ? 96 SER P N 1 ATOM 571 C CA . SER A 1 78 ? 13.486 36.748 -32.380 1.00 43.81 ? 96 SER P CA 1 ATOM 572 C C . SER A 1 78 ? 12.992 37.925 -33.191 1.00 41.62 ? 96 SER P C 1 ATOM 573 O O . SER A 1 78 ? 13.844 38.797 -33.416 1.00 41.42 ? 96 SER P O 1 ATOM 574 C CB . SER A 1 78 ? 14.220 37.296 -31.097 1.00 39.71 ? 96 SER P CB 1 ATOM 575 O OG . SER A 1 78 ? 13.748 36.420 -30.075 1.00 38.96 ? 96 SER P OG 1 ATOM 576 N N . ARG A 1 79 ? 11.689 38.078 -33.372 1.00 39.67 ? 97 ARG P N 1 ATOM 577 C CA . ARG A 1 79 ? 11.263 39.350 -33.920 1.00 40.33 ? 97 ARG P CA 1 ATOM 578 C C . ARG A 1 79 ? 11.469 40.513 -32.989 1.00 43.78 ? 97 ARG P C 1 ATOM 579 O O . ARG A 1 79 ? 11.293 41.610 -33.526 1.00 45.97 ? 97 ARG P O 1 ATOM 580 C CB . ARG A 1 79 ? 9.747 39.442 -34.203 1.00 45.90 ? 97 ARG P CB 1 ATOM 581 C CG . ARG A 1 79 ? 9.294 38.269 -35.065 1.00 50.89 ? 97 ARG P CG 1 ATOM 582 C CD . ARG A 1 79 ? 7.872 38.512 -35.547 1.00 57.79 ? 97 ARG P CD 1 ATOM 583 N NE . ARG A 1 79 ? 7.419 37.563 -36.566 1.00 65.67 ? 97 ARG P NE 1 ATOM 584 C CZ . ARG A 1 79 ? 6.892 36.396 -36.251 1.00 73.21 ? 97 ARG P CZ 1 ATOM 585 N NH1 . ARG A 1 79 ? 6.820 36.126 -34.948 1.00 79.12 ? 97 ARG P NH1 1 ATOM 586 N NH2 . ARG A 1 79 ? 6.443 35.467 -37.094 1.00 74.12 ? 97 ARG P NH2 1 ATOM 587 N N . GLY A 1 80 ? 11.578 40.393 -31.657 1.00 49.93 ? 98 GLY P N 1 ATOM 588 C CA . GLY A 1 80 ? 11.508 41.565 -30.787 1.00 35.40 ? 98 GLY P CA 1 ATOM 589 C C . GLY A 1 80 ? 12.804 42.171 -30.301 1.00 31.54 ? 98 GLY P C 1 ATOM 590 O O . GLY A 1 80 ? 13.869 41.644 -30.657 1.00 32.81 ? 98 GLY P O 1 ATOM 591 N N . GLY A 1 81 ? 12.739 43.249 -29.514 1.00 26.46 ? 99 GLY P N 1 ATOM 592 C CA . GLY A 1 81 ? 14.037 43.875 -29.161 1.00 29.51 ? 99 GLY P CA 1 ATOM 593 C C . GLY A 1 81 ? 13.643 44.978 -28.138 1.00 33.03 ? 99 GLY P C 1 ATOM 594 O O . GLY A 1 81 ? 12.471 45.155 -27.895 1.00 39.98 ? 99 GLY P O 1 ATOM 595 N N . LEU A 1 82 ? 14.601 45.557 -27.476 1.00 28.98 ? 100 LEU P N 1 ATOM 596 C CA . LEU A 1 82 ? 14.453 46.659 -26.595 1.00 31.38 ? 100 LEU P CA 1 ATOM 597 C C . LEU A 1 82 ? 13.963 47.792 -27.510 1.00 44.42 ? 100 LEU P C 1 ATOM 598 O O . LEU A 1 82 ? 14.688 48.188 -28.454 1.00 47.02 ? 100 LEU P O 1 ATOM 599 C CB . LEU A 1 82 ? 15.958 46.922 -26.211 1.00 22.60 ? 100 LEU P CB 1 ATOM 600 C CG . LEU A 1 82 ? 15.971 48.198 -25.307 1.00 29.34 ? 100 LEU P CG 1 ATOM 601 C CD1 . LEU A 1 82 ? 15.143 47.947 -24.031 1.00 34.05 ? 100 LEU P CD1 1 ATOM 602 C CD2 . LEU A 1 82 ? 17.338 48.753 -24.966 1.00 25.74 ? 100 LEU P CD2 1 ATOM 603 N N . PRO A 1 83 ? 12.758 48.297 -27.317 1.00 45.15 ? 101 PRO P N 1 ATOM 604 C CA . PRO A 1 83 ? 12.217 49.409 -28.084 1.00 36.30 ? 101 PRO P CA 1 ATOM 605 C C . PRO A 1 83 ? 13.270 50.504 -28.311 1.00 45.89 ? 101 PRO P C 1 ATOM 606 O O . PRO A 1 83 ? 14.103 50.841 -27.457 1.00 41.37 ? 101 PRO P O 1 ATOM 607 C CB . PRO A 1 83 ? 11.063 49.949 -27.270 1.00 25.16 ? 101 PRO P CB 1 ATOM 608 C CG . PRO A 1 83 ? 10.563 48.726 -26.537 1.00 42.49 ? 101 PRO P CG 1 ATOM 609 C CD . PRO A 1 83 ? 11.825 47.923 -26.211 1.00 48.12 ? 101 PRO P CD 1 ATOM 610 N N . LEU A 1 84 ? 13.090 51.120 -29.523 1.00 44.03 ? 102 LEU P N 1 ATOM 611 C CA . LEU A 1 84 ? 14.060 52.152 -29.918 1.00 39.59 ? 102 LEU P CA 1 ATOM 612 C C . LEU A 1 84 ? 13.915 53.420 -29.073 1.00 42.30 ? 102 LEU P C 1 ATOM 613 O O . LEU A 1 84 ? 14.930 54.080 -28.725 1.00 34.45 ? 102 LEU P O 1 ATOM 614 C CB . LEU A 1 84 ? 13.906 52.421 -31.407 1.00 41.58 ? 102 LEU P CB 1 ATOM 615 C CG . LEU A 1 84 ? 14.573 51.280 -32.233 1.00 45.04 ? 102 LEU P CG 1 ATOM 616 C CD1 . LEU A 1 84 ? 14.251 51.476 -33.666 1.00 44.19 ? 102 LEU P CD1 1 ATOM 617 C CD2 . LEU A 1 84 ? 16.068 51.201 -32.014 1.00 42.48 ? 102 LEU P CD2 1 ATOM 618 N N . GLU A 1 85 ? 12.637 53.520 -28.660 1.00 36.68 ? 103 GLU P N 1 ATOM 619 C CA . GLU A 1 85 ? 12.174 54.616 -27.848 1.00 48.57 ? 103 GLU P CA 1 ATOM 620 C C . GLU A 1 85 ? 12.801 54.676 -26.469 1.00 51.77 ? 103 GLU P C 1 ATOM 621 O O . GLU A 1 85 ? 12.592 55.720 -25.865 1.00 58.05 ? 103 GLU P O 1 ATOM 622 C CB . GLU A 1 85 ? 10.663 54.721 -27.684 1.00 54.14 ? 103 GLU P CB 1 ATOM 623 C CG . GLU A 1 85 ? 9.773 53.523 -27.879 1.00 79.09 ? 103 GLU P CG 1 ATOM 624 C CD . GLU A 1 85 ? 8.783 53.190 -26.768 1.00 91.94 ? 103 GLU P CD 1 ATOM 625 O OE1 . GLU A 1 85 ? 8.325 54.083 -25.991 1.00 100.21 ? 103 GLU P OE1 1 ATOM 626 O OE2 . GLU A 1 85 ? 8.363 52.005 -26.589 1.00 97.42 ? 103 GLU P OE2 1 ATOM 627 N N . GLU A 1 86 ? 13.349 53.624 -25.916 1.00 53.84 ? 104 GLU P N 1 ATOM 628 C CA . GLU A 1 86 ? 13.932 53.637 -24.585 1.00 42.80 ? 104 GLU P CA 1 ATOM 629 C C . GLU A 1 86 ? 15.239 54.393 -24.813 1.00 41.19 ? 104 GLU P C 1 ATOM 630 O O . GLU A 1 86 ? 15.852 54.296 -25.876 1.00 40.22 ? 104 GLU P O 1 ATOM 631 C CB . GLU A 1 86 ? 14.286 52.196 -24.181 1.00 48.47 ? 104 GLU P CB 1 ATOM 632 C CG . GLU A 1 86 ? 13.207 51.197 -23.841 1.00 42.70 ? 104 GLU P CG 1 ATOM 633 C CD . GLU A 1 86 ? 12.488 51.713 -22.599 1.00 45.20 ? 104 GLU P CD 1 ATOM 634 O OE1 . GLU A 1 86 ? 13.087 52.291 -21.671 1.00 42.22 ? 104 GLU P OE1 1 ATOM 635 O OE2 . GLU A 1 86 ? 11.255 51.562 -22.586 1.00 44.56 ? 104 GLU P OE2 1 ATOM 636 N N . VAL A 1 87 ? 15.671 55.107 -23.830 1.00 40.12 ? 105 VAL P N 1 ATOM 637 C CA . VAL A 1 87 ? 16.867 55.886 -23.827 1.00 36.89 ? 105 VAL P CA 1 ATOM 638 C C . VAL A 1 87 ? 17.931 55.164 -23.067 1.00 38.84 ? 105 VAL P C 1 ATOM 639 O O . VAL A 1 87 ? 17.826 54.909 -21.858 1.00 43.50 ? 105 VAL P O 1 ATOM 640 C CB . VAL A 1 87 ? 16.588 57.267 -23.144 1.00 40.19 ? 105 VAL P CB 1 ATOM 641 C CG1 . VAL A 1 87 ? 17.832 58.112 -23.283 1.00 40.56 ? 105 VAL P CG1 1 ATOM 642 C CG2 . VAL A 1 87 ? 15.402 57.828 -23.870 1.00 33.18 ? 105 VAL P CG2 1 ATOM 643 N N . THR A 1 88 ? 18.946 54.782 -23.833 1.00 40.41 ? 106 THR P N 1 ATOM 644 C CA . THR A 1 88 ? 19.981 54.012 -23.163 1.00 39.86 ? 106 THR P CA 1 ATOM 645 C C . THR A 1 88 ? 20.949 54.969 -22.522 1.00 44.77 ? 106 THR P C 1 ATOM 646 O O . THR A 1 88 ? 20.863 56.150 -22.803 1.00 45.59 ? 106 THR P O 1 ATOM 647 C CB . THR A 1 88 ? 20.739 53.139 -24.138 1.00 39.47 ? 106 THR P CB 1 ATOM 648 O OG1 . THR A 1 88 ? 21.626 54.001 -24.861 1.00 49.67 ? 106 THR P OG1 1 ATOM 649 C CG2 . THR A 1 88 ? 19.744 52.366 -24.953 1.00 34.71 ? 106 THR P CG2 1 ATOM 650 N N . VAL A 1 89 ? 21.924 54.339 -21.861 1.00 39.79 ? 107 VAL P N 1 ATOM 651 C CA . VAL A 1 89 ? 22.935 55.152 -21.199 1.00 41.84 ? 107 VAL P CA 1 ATOM 652 C C . VAL A 1 89 ? 23.773 55.808 -22.309 1.00 45.65 ? 107 VAL P C 1 ATOM 653 O O . VAL A 1 89 ? 24.412 56.819 -22.029 1.00 49.26 ? 107 VAL P O 1 ATOM 654 C CB . VAL A 1 89 ? 23.913 54.270 -20.389 1.00 36.05 ? 107 VAL P CB 1 ATOM 655 C CG1 . VAL A 1 89 ? 24.675 55.006 -19.297 1.00 40.22 ? 107 VAL P CG1 1 ATOM 656 C CG2 . VAL A 1 89 ? 23.144 53.162 -19.752 1.00 45.81 ? 107 VAL P CG2 1 ATOM 657 N N . ALA A 1 90 ? 23.931 55.073 -23.401 1.00 47.75 ? 108 ALA P N 1 ATOM 658 C CA . ALA A 1 90 ? 24.828 55.560 -24.455 1.00 50.96 ? 108 ALA P CA 1 ATOM 659 C C . ALA A 1 90 ? 24.140 56.747 -25.133 1.00 45.73 ? 108 ALA P C 1 ATOM 660 O O . ALA A 1 90 ? 24.783 57.800 -25.221 1.00 43.69 ? 108 ALA P O 1 ATOM 661 C CB . ALA A 1 90 ? 25.282 54.352 -25.231 1.00 51.14 ? 108 ALA P CB 1 ATOM 662 N N . GLU A 1 91 ? 22.874 56.769 -25.447 1.00 40.20 ? 109 GLU P N 1 ATOM 663 C CA . GLU A 1 91 ? 22.069 57.850 -25.883 1.00 39.06 ? 109 GLU P CA 1 ATOM 664 C C . GLU A 1 91 ? 22.323 59.022 -24.978 1.00 48.98 ? 109 GLU P C 1 ATOM 665 O O . GLU A 1 91 ? 22.952 60.023 -25.401 1.00 61.04 ? 109 GLU P O 1 ATOM 666 C CB . GLU A 1 91 ? 20.561 57.509 -26.088 1.00 34.14 ? 109 GLU P CB 1 ATOM 667 C CG . GLU A 1 91 ? 20.453 56.414 -27.155 1.00 32.73 ? 109 GLU P CG 1 ATOM 668 C CD . GLU A 1 91 ? 19.177 55.771 -27.501 1.00 39.77 ? 109 GLU P CD 1 ATOM 669 O OE1 . GLU A 1 91 ? 18.195 55.472 -26.845 1.00 40.69 ? 109 GLU P OE1 1 ATOM 670 O OE2 . GLU A 1 91 ? 18.876 55.347 -28.672 1.00 55.15 ? 109 GLU P OE2 1 ATOM 671 N N . VAL A 1 92 ? 22.145 58.949 -23.689 1.00 58.27 ? 110 VAL P N 1 ATOM 672 C CA . VAL A 1 92 ? 22.412 60.003 -22.707 1.00 52.07 ? 110 VAL P CA 1 ATOM 673 C C . VAL A 1 92 ? 23.796 60.615 -22.738 1.00 56.44 ? 110 VAL P C 1 ATOM 674 O O . VAL A 1 92 ? 24.022 61.823 -22.422 1.00 60.03 ? 110 VAL P O 1 ATOM 675 C CB . VAL A 1 92 ? 22.099 59.389 -21.311 1.00 43.83 ? 110 VAL P CB 1 ATOM 676 C CG1 . VAL A 1 92 ? 22.520 60.166 -20.104 1.00 43.60 ? 110 VAL P CG1 1 ATOM 677 C CG2 . VAL A 1 92 ? 20.583 59.253 -21.167 1.00 50.88 ? 110 VAL P CG2 1 ATOM 678 N N . LEU A 1 93 ? 24.831 59.832 -22.958 1.00 50.26 ? 111 LEU P N 1 ATOM 679 C CA . LEU A 1 93 ? 26.210 60.336 -22.850 1.00 54.48 ? 111 LEU P CA 1 ATOM 680 C C . LEU A 1 93 ? 26.718 60.930 -24.184 1.00 59.05 ? 111 LEU P C 1 ATOM 681 O O . LEU A 1 93 ? 27.694 61.688 -24.311 1.00 49.72 ? 111 LEU P O 1 ATOM 682 C CB . LEU A 1 93 ? 27.069 59.159 -22.369 1.00 48.86 ? 111 LEU P CB 1 ATOM 683 C CG . LEU A 1 93 ? 27.441 58.987 -20.912 1.00 51.16 ? 111 LEU P CG 1 ATOM 684 C CD1 . LEU A 1 93 ? 26.402 59.550 -19.984 1.00 51.03 ? 111 LEU P CD1 1 ATOM 685 C CD2 . LEU A 1 93 ? 27.715 57.504 -20.637 1.00 50.02 ? 111 LEU P CD2 1 ATOM 686 N N . ALA A 1 94 ? 26.088 60.440 -25.247 1.00 58.09 ? 112 ALA P N 1 ATOM 687 C CA . ALA A 1 94 ? 26.293 60.774 -26.636 1.00 61.13 ? 112 ALA P CA 1 ATOM 688 C C . ALA A 1 94 ? 25.872 62.253 -26.717 1.00 66.53 ? 112 ALA P C 1 ATOM 689 O O . ALA A 1 94 ? 26.684 63.137 -26.993 1.00 72.75 ? 112 ALA P O 1 ATOM 690 C CB . ALA A 1 94 ? 25.351 60.063 -27.589 1.00 46.12 ? 112 ALA P CB 1 ATOM 691 N N . ALA A 1 95 ? 24.663 62.503 -26.200 1.00 62.14 ? 113 ALA P N 1 ATOM 692 C CA . ALA A 1 95 ? 24.182 63.870 -26.211 1.00 56.40 ? 113 ALA P CA 1 ATOM 693 C C . ALA A 1 95 ? 24.998 64.771 -25.315 1.00 53.64 ? 113 ALA P C 1 ATOM 694 O O . ALA A 1 95 ? 24.748 65.991 -25.351 1.00 63.49 ? 113 ALA P O 1 ATOM 695 C CB . ALA A 1 95 ? 22.686 63.942 -25.963 1.00 51.20 ? 113 ALA P CB 1 ATOM 696 N N . ARG A 1 96 ? 25.983 64.365 -24.578 1.00 50.34 ? 114 ARG P N 1 ATOM 697 C CA . ARG A 1 96 ? 26.757 65.291 -23.731 1.00 50.34 ? 114 ARG P CA 1 ATOM 698 C C . ARG A 1 96 ? 28.087 65.276 -24.447 1.00 49.08 ? 114 ARG P C 1 ATOM 699 O O . ARG A 1 96 ? 29.106 65.715 -23.940 1.00 53.84 ? 114 ARG P O 1 ATOM 700 C CB . ARG A 1 96 ? 26.827 64.886 -22.254 1.00 49.13 ? 114 ARG P CB 1 ATOM 701 C CG . ARG A 1 96 ? 27.145 65.960 -21.221 1.00 51.91 ? 114 ARG P CG 1 ATOM 702 N N . GLY A 1 97 ? 28.087 64.615 -25.598 1.00 52.74 ? 115 GLY P N 1 ATOM 703 C CA . GLY A 1 97 ? 29.227 64.506 -26.486 1.00 58.15 ? 115 GLY P CA 1 ATOM 704 C C . GLY A 1 97 ? 30.323 63.545 -26.181 1.00 60.08 ? 115 GLY P C 1 ATOM 705 O O . GLY A 1 97 ? 31.502 63.837 -26.340 1.00 63.56 ? 115 GLY P O 1 ATOM 706 N N . TYR A 1 98 ? 29.972 62.312 -25.809 1.00 61.94 ? 116 TYR P N 1 ATOM 707 C CA . TYR A 1 98 ? 30.983 61.316 -25.417 1.00 48.43 ? 116 TYR P CA 1 ATOM 708 C C . TYR A 1 98 ? 31.180 60.542 -26.702 1.00 50.37 ? 116 TYR P C 1 ATOM 709 O O . TYR A 1 98 ? 30.320 60.367 -27.609 1.00 50.44 ? 116 TYR P O 1 ATOM 710 C CB . TYR A 1 98 ? 30.394 60.522 -24.240 1.00 56.24 ? 116 TYR P CB 1 ATOM 711 C CG . TYR A 1 98 ? 30.676 60.803 -22.791 1.00 51.04 ? 116 TYR P CG 1 ATOM 712 C CD1 . TYR A 1 98 ? 30.108 61.819 -22.062 1.00 47.89 ? 116 TYR P CD1 1 ATOM 713 C CD2 . TYR A 1 98 ? 31.589 59.985 -22.105 1.00 53.75 ? 116 TYR P CD2 1 ATOM 714 C CE1 . TYR A 1 98 ? 30.452 62.057 -20.727 1.00 46.40 ? 116 TYR P CE1 1 ATOM 715 C CE2 . TYR A 1 98 ? 31.921 60.189 -20.757 1.00 45.20 ? 116 TYR P CE2 1 ATOM 716 C CZ . TYR A 1 98 ? 31.365 61.238 -20.094 1.00 46.70 ? 116 TYR P CZ 1 ATOM 717 O OH . TYR A 1 98 ? 31.738 61.444 -18.767 1.00 47.45 ? 116 TYR P OH 1 ATOM 718 N N . LEU A 1 99 ? 32.420 60.097 -26.848 1.00 46.93 ? 117 LEU P N 1 ATOM 719 C CA . LEU A 1 99 ? 32.585 59.169 -28.011 1.00 48.17 ? 117 LEU P CA 1 ATOM 720 C C . LEU A 1 99 ? 32.128 57.809 -27.399 1.00 51.00 ? 117 LEU P C 1 ATOM 721 O O . LEU A 1 99 ? 32.743 57.331 -26.410 1.00 48.96 ? 117 LEU P O 1 ATOM 722 C CB . LEU A 1 99 ? 34.035 59.296 -28.478 1.00 37.01 ? 117 LEU P CB 1 ATOM 723 C CG . LEU A 1 99 ? 34.433 58.231 -29.480 1.00 46.17 ? 117 LEU P CG 1 ATOM 724 C CD1 . LEU A 1 99 ? 33.646 58.283 -30.783 1.00 46.61 ? 117 LEU P CD1 1 ATOM 725 C CD2 . LEU A 1 99 ? 35.939 58.215 -29.727 1.00 54.57 ? 117 LEU P CD2 1 ATOM 726 N N . THR A 1 100 ? 31.023 57.211 -27.812 1.00 46.34 ? 118 THR P N 1 ATOM 727 C CA . THR A 1 100 ? 30.577 55.977 -27.211 1.00 45.53 ? 118 THR P CA 1 ATOM 728 C C . THR A 1 100 ? 30.843 54.695 -27.958 1.00 52.87 ? 118 THR P C 1 ATOM 729 O O . THR A 1 100 ? 30.555 54.568 -29.159 1.00 54.20 ? 118 THR P O 1 ATOM 730 C CB . THR A 1 100 ? 29.072 55.988 -26.948 1.00 45.36 ? 118 THR P CB 1 ATOM 731 O OG1 . THR A 1 100 ? 28.462 56.021 -28.227 1.00 43.67 ? 118 THR P OG1 1 ATOM 732 C CG2 . THR A 1 100 ? 28.699 57.141 -26.020 1.00 47.86 ? 118 THR P CG2 1 ATOM 733 N N . GLY A 1 101 ? 31.354 53.709 -27.175 1.00 55.15 ? 119 GLY P N 1 ATOM 734 C CA . GLY A 1 101 ? 31.651 52.437 -27.838 1.00 54.66 ? 119 GLY P CA 1 ATOM 735 C C . GLY A 1 101 ? 31.328 51.208 -27.019 1.00 53.04 ? 119 GLY P C 1 ATOM 736 O O . GLY A 1 101 ? 31.525 51.107 -25.809 1.00 52.59 ? 119 GLY P O 1 ATOM 737 N N . MET A 1 102 ? 30.940 50.144 -27.716 1.00 48.26 ? 120 MET P N 1 ATOM 738 C CA . MET A 1 102 ? 30.617 48.855 -27.150 1.00 30.63 ? 120 MET P CA 1 ATOM 739 C C . MET A 1 102 ? 31.350 47.726 -27.805 1.00 36.65 ? 120 MET P C 1 ATOM 740 O O . MET A 1 102 ? 31.233 47.615 -29.034 1.00 40.62 ? 120 MET P O 1 ATOM 741 C CB . MET A 1 102 ? 29.140 48.485 -27.314 1.00 29.76 ? 120 MET P CB 1 ATOM 742 C CG . MET A 1 102 ? 28.855 47.069 -26.834 1.00 24.16 ? 120 MET P CG 1 ATOM 743 S SD . MET A 1 102 ? 27.042 46.806 -26.932 1.00 39.10 ? 120 MET P SD 1 ATOM 744 C CE . MET A 1 102 ? 27.245 44.993 -26.793 1.00 33.92 ? 120 MET P CE 1 ATOM 745 N N . ALA A 1 103 ? 31.921 46.861 -26.952 1.00 39.60 ? 121 ALA P N 1 ATOM 746 C CA . ALA A 1 103 ? 32.530 45.618 -27.512 1.00 37.18 ? 121 ALA P CA 1 ATOM 747 C C . ALA A 1 103 ? 31.799 44.474 -26.813 1.00 38.46 ? 121 ALA P C 1 ATOM 748 O O . ALA A 1 103 ? 31.591 44.533 -25.586 1.00 40.29 ? 121 ALA P O 1 ATOM 749 C CB . ALA A 1 103 ? 33.985 45.562 -27.098 1.00 32.20 ? 121 ALA P CB 1 ATOM 750 N N . GLY A 1 104 ? 31.400 43.393 -27.462 1.00 39.34 ? 122 GLY P N 1 ATOM 751 C CA . GLY A 1 104 ? 30.824 42.229 -26.904 1.00 36.27 ? 122 GLY P CA 1 ATOM 752 C C . GLY A 1 104 ? 29.371 41.855 -27.053 1.00 37.15 ? 122 GLY P C 1 ATOM 753 O O . GLY A 1 104 ? 28.791 42.101 -28.086 1.00 32.88 ? 122 GLY P O 1 ATOM 754 N N . LYS A 1 105 ? 28.842 41.145 -26.027 1.00 39.05 ? 123 LYS P N 1 ATOM 755 C CA . LYS A 1 105 ? 27.495 40.563 -26.135 1.00 34.39 ? 123 LYS P CA 1 ATOM 756 C C . LYS A 1 105 ? 26.412 41.582 -26.051 1.00 28.29 ? 123 LYS P C 1 ATOM 757 O O . LYS A 1 105 ? 26.528 42.412 -25.111 1.00 36.27 ? 123 LYS P O 1 ATOM 758 C CB . LYS A 1 105 ? 27.334 39.652 -24.888 1.00 31.25 ? 123 LYS P CB 1 ATOM 759 C CG . LYS A 1 105 ? 25.945 39.030 -24.830 1.00 27.66 ? 123 LYS P CG 1 ATOM 760 C CD . LYS A 1 105 ? 26.051 37.694 -24.084 1.00 34.60 ? 123 LYS P CD 1 ATOM 761 C CE . LYS A 1 105 ? 24.688 37.500 -23.334 1.00 36.64 ? 123 LYS P CE 1 ATOM 762 N NZ . LYS A 1 105 ? 24.702 36.082 -22.881 1.00 34.31 ? 123 LYS P NZ 1 ATOM 763 N N . TRP A 1 106 ? 25.418 41.660 -26.873 1.00 27.20 ? 124 TRP P N 1 ATOM 764 C CA . TRP A 1 106 ? 24.391 42.711 -26.784 1.00 25.72 ? 124 TRP P CA 1 ATOM 765 C C . TRP A 1 106 ? 23.136 42.069 -26.219 1.00 30.09 ? 124 TRP P C 1 ATOM 766 O O . TRP A 1 106 ? 22.343 42.576 -25.440 1.00 33.35 ? 124 TRP P O 1 ATOM 767 C CB . TRP A 1 106 ? 24.143 43.211 -28.222 1.00 27.49 ? 124 TRP P CB 1 ATOM 768 C CG . TRP A 1 106 ? 22.900 44.018 -28.530 1.00 23.93 ? 124 TRP P CG 1 ATOM 769 C CD1 . TRP A 1 106 ? 21.864 43.704 -29.353 1.00 24.76 ? 124 TRP P CD1 1 ATOM 770 C CD2 . TRP A 1 106 ? 22.602 45.341 -28.012 1.00 24.38 ? 124 TRP P CD2 1 ATOM 771 N NE1 . TRP A 1 106 ? 20.940 44.731 -29.382 1.00 31.56 ? 124 TRP P NE1 1 ATOM 772 C CE2 . TRP A 1 106 ? 21.397 45.759 -28.571 1.00 25.90 ? 124 TRP P CE2 1 ATOM 773 C CE3 . TRP A 1 106 ? 23.336 46.173 -27.118 1.00 30.01 ? 124 TRP P CE3 1 ATOM 774 C CZ2 . TRP A 1 106 ? 20.809 46.967 -28.235 1.00 32.07 ? 124 TRP P CZ2 1 ATOM 775 C CZ3 . TRP A 1 106 ? 22.759 47.400 -26.793 1.00 30.53 ? 124 TRP P CZ3 1 ATOM 776 C CH2 . TRP A 1 106 ? 21.524 47.780 -27.345 1.00 31.12 ? 124 TRP P CH2 1 ATOM 777 N N . HIS A 1 107 ? 22.718 40.943 -26.797 1.00 28.76 ? 125 HIS P N 1 ATOM 778 C CA . HIS A 1 107 ? 21.534 40.211 -26.479 1.00 28.00 ? 125 HIS P CA 1 ATOM 779 C C . HIS A 1 107 ? 20.346 41.098 -26.184 1.00 35.13 ? 125 HIS P C 1 ATOM 780 O O . HIS A 1 107 ? 19.539 40.646 -25.330 1.00 33.45 ? 125 HIS P O 1 ATOM 781 C CB . HIS A 1 107 ? 21.756 39.450 -25.140 1.00 31.93 ? 125 HIS P CB 1 ATOM 782 C CG . HIS A 1 107 ? 21.019 38.130 -25.144 1.00 35.02 ? 125 HIS P CG 1 ATOM 783 N ND1 . HIS A 1 107 ? 21.283 37.150 -24.246 1.00 34.28 ? 125 HIS P ND1 1 ATOM 784 C CD2 . HIS A 1 107 ? 20.065 37.624 -25.969 1.00 36.22 ? 125 HIS P CD2 1 ATOM 785 C CE1 . HIS A 1 107 ? 20.559 36.080 -24.521 1.00 36.62 ? 125 HIS P CE1 1 ATOM 786 N NE2 . HIS A 1 107 ? 19.811 36.332 -25.584 1.00 33.38 ? 125 HIS P NE2 1 ATOM 787 N N . LEU A 1 108 ? 20.179 42.218 -26.909 1.00 34.49 ? 126 LEU P N 1 ATOM 788 C CA . LEU A 1 108 ? 19.063 43.117 -26.694 1.00 31.22 ? 126 LEU P CA 1 ATOM 789 C C . LEU A 1 108 ? 18.219 43.325 -27.944 1.00 39.50 ? 126 LEU P C 1 ATOM 790 O O . LEU A 1 108 ? 17.308 44.198 -28.032 1.00 43.13 ? 126 LEU P O 1 ATOM 791 C CB . LEU A 1 108 ? 19.566 44.459 -26.115 1.00 31.86 ? 126 LEU P CB 1 ATOM 792 C CG . LEU A 1 108 ? 19.917 44.379 -24.611 1.00 40.90 ? 126 LEU P CG 1 ATOM 793 C CD1 . LEU A 1 108 ? 20.750 45.546 -24.100 1.00 32.28 ? 126 LEU P CD1 1 ATOM 794 C CD2 . LEU A 1 108 ? 18.623 44.217 -23.793 1.00 30.64 ? 126 LEU P CD2 1 ATOM 795 N N . GLY A 1 109 ? 18.355 42.339 -28.857 1.00 34.07 ? 127 GLY P N 1 ATOM 796 C CA . GLY A 1 109 ? 17.537 42.259 -30.081 1.00 30.30 ? 127 GLY P CA 1 ATOM 797 C C . GLY A 1 109 ? 18.403 42.605 -31.334 1.00 38.26 ? 127 GLY P C 1 ATOM 798 O O . GLY A 1 109 ? 19.477 43.260 -31.375 1.00 28.71 ? 127 GLY P O 1 ATOM 799 N N . VAL A 1 110 ? 17.891 42.070 -32.408 1.00 32.51 ? 128 VAL P N 1 ATOM 800 C CA . VAL A 1 110 ? 18.480 42.150 -33.751 1.00 42.58 ? 128 VAL P CA 1 ATOM 801 C C . VAL A 1 110 ? 17.446 42.711 -34.704 1.00 40.64 ? 128 VAL P C 1 ATOM 802 O O . VAL A 1 110 ? 17.411 43.945 -34.880 1.00 39.97 ? 128 VAL P O 1 ATOM 803 C CB . VAL A 1 110 ? 19.009 40.805 -34.191 1.00 45.04 ? 128 VAL P CB 1 ATOM 804 C CG1 . VAL A 1 110 ? 19.391 40.961 -35.653 1.00 51.70 ? 128 VAL P CG1 1 ATOM 805 C CG2 . VAL A 1 110 ? 20.319 40.500 -33.390 1.00 48.95 ? 128 VAL P CG2 1 ATOM 806 N N . GLY A 1 111 ? 16.381 41.962 -35.013 1.00 41.99 ? 129 GLY P N 1 ATOM 807 C CA . GLY A 1 111 ? 15.340 42.626 -35.804 1.00 37.22 ? 129 GLY P CA 1 ATOM 808 C C . GLY A 1 111 ? 15.648 42.668 -37.310 1.00 44.74 ? 129 GLY P C 1 ATOM 809 O O . GLY A 1 111 ? 16.746 42.431 -37.878 1.00 32.34 ? 129 GLY P O 1 ATOM 810 N N . PRO A 1 112 ? 14.551 43.069 -37.933 1.00 51.33 ? 130 PRO P N 1 ATOM 811 C CA . PRO A 1 112 ? 14.485 43.156 -39.414 1.00 48.14 ? 130 PRO P CA 1 ATOM 812 C C . PRO A 1 112 ? 15.466 44.216 -39.851 1.00 45.67 ? 130 PRO P C 1 ATOM 813 O O . PRO A 1 112 ? 15.354 45.337 -39.358 1.00 45.93 ? 130 PRO P O 1 ATOM 814 C CB . PRO A 1 112 ? 13.057 43.573 -39.699 1.00 45.09 ? 130 PRO P CB 1 ATOM 815 C CG . PRO A 1 112 ? 12.637 44.281 -38.436 1.00 56.46 ? 130 PRO P CG 1 ATOM 816 C CD . PRO A 1 112 ? 13.250 43.474 -37.281 1.00 48.53 ? 130 PRO P CD 1 ATOM 817 N N . GLU A 1 113 ? 16.556 43.806 -40.502 1.00 46.88 ? 131 GLU P N 1 ATOM 818 C CA . GLU A 1 113 ? 17.631 44.693 -40.923 1.00 49.44 ? 131 GLU P CA 1 ATOM 819 C C . GLU A 1 113 ? 18.451 45.388 -39.855 1.00 46.86 ? 131 GLU P C 1 ATOM 820 C CB . GLU A 1 113 ? 16.959 45.708 -41.905 1.00 59.56 ? 131 GLU P CB 1 ATOM 821 N N . GLY A 1 114 ? 18.298 44.735 -38.625 1.00 50.59 ? 132 GLY P N 1 ATOM 822 C CA . GLY A 1 114 ? 19.306 44.921 -37.567 1.00 31.23 ? 132 GLY P CA 1 ATOM 823 C C . GLY A 1 114 ? 18.942 46.243 -36.882 1.00 33.11 ? 132 GLY P C 1 ATOM 824 O O . GLY A 1 114 ? 19.690 46.971 -36.199 1.00 37.63 ? 132 GLY P O 1 ATOM 825 N N . ALA A 1 115 ? 17.643 46.547 -36.932 1.00 25.33 ? 133 ALA P N 1 ATOM 826 C CA . ALA A 1 115 ? 17.100 47.749 -36.331 1.00 34.75 ? 133 ALA P CA 1 ATOM 827 C C . ALA A 1 115 ? 17.298 47.854 -34.840 1.00 43.06 ? 133 ALA P C 1 ATOM 828 O O . ALA A 1 115 ? 17.164 48.987 -34.323 1.00 51.99 ? 133 ALA P O 1 ATOM 829 C CB . ALA A 1 115 ? 15.595 47.636 -36.579 1.00 33.82 ? 133 ALA P CB 1 ATOM 830 N N . PHE A 1 116 ? 17.594 46.758 -34.138 1.00 39.93 ? 134 PHE P N 1 ATOM 831 C CA . PHE A 1 116 ? 17.759 46.926 -32.656 1.00 42.04 ? 134 PHE P CA 1 ATOM 832 C C . PHE A 1 116 ? 19.227 46.874 -32.253 1.00 42.35 ? 134 PHE P C 1 ATOM 833 O O . PHE A 1 116 ? 19.469 46.897 -31.051 1.00 41.68 ? 134 PHE P O 1 ATOM 834 C CB . PHE A 1 116 ? 17.044 45.815 -31.959 1.00 32.33 ? 134 PHE P CB 1 ATOM 835 C CG . PHE A 1 116 ? 15.560 45.726 -32.260 1.00 29.58 ? 134 PHE P CG 1 ATOM 836 C CD1 . PHE A 1 116 ? 14.730 46.749 -31.919 1.00 40.25 ? 134 PHE P CD1 1 ATOM 837 C CD2 . PHE A 1 116 ? 14.999 44.605 -32.769 1.00 35.76 ? 134 PHE P CD2 1 ATOM 838 C CE1 . PHE A 1 116 ? 13.363 46.699 -32.097 1.00 38.92 ? 134 PHE P CE1 1 ATOM 839 C CE2 . PHE A 1 116 ? 13.629 44.473 -32.981 1.00 40.70 ? 134 PHE P CE2 1 ATOM 840 C CZ . PHE A 1 116 ? 12.852 45.545 -32.649 1.00 42.05 ? 134 PHE P CZ 1 ATOM 841 N N . LEU A 1 117 ? 20.096 46.756 -33.267 1.00 39.59 ? 135 LEU P N 1 ATOM 842 C CA . LEU A 1 117 ? 21.492 46.616 -32.996 1.00 38.53 ? 135 LEU P CA 1 ATOM 843 C C . LEU A 1 117 ? 22.005 47.852 -32.315 1.00 40.57 ? 135 LEU P C 1 ATOM 844 O O . LEU A 1 117 ? 21.410 48.926 -32.456 1.00 35.29 ? 135 LEU P O 1 ATOM 845 C CB . LEU A 1 117 ? 22.356 46.264 -34.195 1.00 41.23 ? 135 LEU P CB 1 ATOM 846 C CG . LEU A 1 117 ? 22.305 44.799 -34.595 1.00 50.62 ? 135 LEU P CG 1 ATOM 847 C CD1 . LEU A 1 117 ? 23.045 44.639 -35.929 1.00 52.48 ? 135 LEU P CD1 1 ATOM 848 C CD2 . LEU A 1 117 ? 22.834 43.862 -33.514 1.00 46.63 ? 135 LEU P CD2 1 ATOM 849 N N . PRO A 1 118 ? 23.127 47.686 -31.584 1.00 39.92 ? 136 PRO P N 1 ATOM 850 C CA . PRO A 1 118 ? 23.695 48.795 -30.831 1.00 37.97 ? 136 PRO P CA 1 ATOM 851 C C . PRO A 1 118 ? 23.756 50.092 -31.602 1.00 48.76 ? 136 PRO P C 1 ATOM 852 O O . PRO A 1 118 ? 23.240 51.115 -31.097 1.00 50.73 ? 136 PRO P O 1 ATOM 853 C CB . PRO A 1 118 ? 25.032 48.300 -30.340 1.00 32.94 ? 136 PRO P CB 1 ATOM 854 C CG . PRO A 1 118 ? 25.037 46.816 -30.527 1.00 32.18 ? 136 PRO P CG 1 ATOM 855 C CD . PRO A 1 118 ? 23.852 46.410 -31.373 1.00 29.44 ? 136 PRO P CD 1 ATOM 856 N N . PRO A 1 119 ? 24.190 50.151 -32.870 1.00 49.19 ? 137 PRO P N 1 ATOM 857 C CA . PRO A 1 119 ? 24.340 51.415 -33.616 1.00 42.57 ? 137 PRO P CA 1 ATOM 858 C C . PRO A 1 119 ? 23.080 52.185 -33.633 1.00 42.76 ? 137 PRO P C 1 ATOM 859 O O . PRO A 1 119 ? 23.175 53.416 -33.712 1.00 57.05 ? 137 PRO P O 1 ATOM 860 C CB . PRO A 1 119 ? 24.898 50.980 -34.963 1.00 44.11 ? 137 PRO P CB 1 ATOM 861 C CG . PRO A 1 119 ? 25.773 49.817 -34.630 1.00 41.80 ? 137 PRO P CG 1 ATOM 862 C CD . PRO A 1 119 ? 24.937 49.087 -33.572 1.00 46.77 ? 137 PRO P CD 1 ATOM 863 N N . HIS A 1 120 ? 21.887 51.661 -33.458 1.00 41.83 ? 138 HIS P N 1 ATOM 864 C CA . HIS A 1 120 ? 20.657 52.391 -33.277 1.00 41.24 ? 138 HIS P CA 1 ATOM 865 C C . HIS A 1 120 ? 20.363 52.836 -31.858 1.00 42.65 ? 138 HIS P C 1 ATOM 866 O O . HIS A 1 120 ? 19.332 53.471 -31.581 1.00 47.08 ? 138 HIS P O 1 ATOM 867 C CB . HIS A 1 120 ? 19.506 51.498 -33.838 1.00 39.38 ? 138 HIS P CB 1 ATOM 868 C CG . HIS A 1 120 ? 19.846 51.241 -35.273 1.00 54.50 ? 138 HIS P CG 1 ATOM 869 N ND1 . HIS A 1 120 ? 19.778 50.016 -35.912 1.00 60.18 ? 138 HIS P ND1 1 ATOM 870 C CD2 . HIS A 1 120 ? 20.301 52.158 -36.208 1.00 56.32 ? 138 HIS P CD2 1 ATOM 871 C CE1 . HIS A 1 120 ? 20.186 50.208 -37.183 1.00 62.31 ? 138 HIS P CE1 1 ATOM 872 N NE2 . HIS A 1 120 ? 20.518 51.479 -37.360 1.00 53.36 ? 138 HIS P NE2 1 ATOM 873 N N . GLN A 1 121 ? 21.109 52.442 -30.834 1.00 44.24 ? 139 GLN P N 1 ATOM 874 C CA . GLN A 1 121 ? 20.728 52.773 -29.447 1.00 41.64 ? 139 GLN P CA 1 ATOM 875 C C . GLN A 1 121 ? 21.903 53.533 -28.831 1.00 49.12 ? 139 GLN P C 1 ATOM 876 O O . GLN A 1 121 ? 22.129 53.459 -27.606 1.00 52.08 ? 139 GLN P O 1 ATOM 877 C CB . GLN A 1 121 ? 20.311 51.602 -28.549 1.00 32.84 ? 139 GLN P CB 1 ATOM 878 C CG . GLN A 1 121 ? 19.094 50.756 -28.996 1.00 26.95 ? 139 GLN P CG 1 ATOM 879 C CD . GLN A 1 121 ? 17.871 51.402 -28.358 1.00 38.75 ? 139 GLN P CD 1 ATOM 880 O OE1 . GLN A 1 121 ? 18.076 52.562 -27.937 1.00 43.80 ? 139 GLN P OE1 1 ATOM 881 N NE2 . GLN A 1 121 ? 16.699 50.784 -28.324 1.00 39.19 ? 139 GLN P NE2 1 ATOM 882 N N . GLY A 1 122 ? 22.590 54.302 -29.721 1.00 45.57 ? 140 GLY P N 1 ATOM 883 C CA . GLY A 1 122 ? 23.536 55.285 -29.230 1.00 28.85 ? 140 GLY P CA 1 ATOM 884 C C . GLY A 1 122 ? 24.987 54.983 -29.117 1.00 37.65 ? 140 GLY P C 1 ATOM 885 O O . GLY A 1 122 ? 25.634 55.892 -28.557 1.00 32.68 ? 140 GLY P O 1 ATOM 886 N N . PHE A 1 123 ? 25.396 53.811 -29.647 1.00 39.97 ? 141 PHE P N 1 ATOM 887 C CA . PHE A 1 123 ? 26.856 53.630 -29.621 1.00 39.04 ? 141 PHE P CA 1 ATOM 888 C C . PHE A 1 123 ? 27.404 54.085 -30.987 1.00 49.55 ? 141 PHE P C 1 ATOM 889 O O . PHE A 1 123 ? 26.986 53.597 -32.087 1.00 43.61 ? 141 PHE P O 1 ATOM 890 C CB . PHE A 1 123 ? 27.196 52.155 -29.347 1.00 37.52 ? 141 PHE P CB 1 ATOM 891 C CG . PHE A 1 123 ? 26.880 51.721 -27.932 1.00 43.28 ? 141 PHE P CG 1 ATOM 892 C CD1 . PHE A 1 123 ? 27.802 51.880 -26.924 1.00 43.13 ? 141 PHE P CD1 1 ATOM 893 C CD2 . PHE A 1 123 ? 25.625 51.156 -27.635 1.00 42.23 ? 141 PHE P CD2 1 ATOM 894 C CE1 . PHE A 1 123 ? 27.499 51.498 -25.621 1.00 45.18 ? 141 PHE P CE1 1 ATOM 895 C CE2 . PHE A 1 123 ? 25.313 50.793 -26.364 1.00 44.38 ? 141 PHE P CE2 1 ATOM 896 C CZ . PHE A 1 123 ? 26.234 50.972 -25.340 1.00 39.75 ? 141 PHE P CZ 1 ATOM 897 N N . HIS A 1 124 ? 28.462 54.902 -30.962 1.00 49.25 ? 142 HIS P N 1 ATOM 898 C CA . HIS A 1 124 ? 29.090 55.285 -32.246 1.00 49.95 ? 142 HIS P CA 1 ATOM 899 C C . HIS A 1 124 ? 29.800 54.075 -32.862 1.00 59.61 ? 142 HIS P C 1 ATOM 900 O O . HIS A 1 124 ? 29.834 53.893 -34.074 1.00 55.27 ? 142 HIS P O 1 ATOM 901 C CB . HIS A 1 124 ? 30.142 56.382 -31.966 1.00 43.12 ? 142 HIS P CB 1 ATOM 902 C CG . HIS A 1 124 ? 29.490 57.567 -31.341 1.00 42.72 ? 142 HIS P CG 1 ATOM 903 N ND1 . HIS A 1 124 ? 29.949 58.235 -30.219 1.00 52.93 ? 142 HIS P ND1 1 ATOM 904 C CD2 . HIS A 1 124 ? 28.328 58.165 -31.711 1.00 47.53 ? 142 HIS P CD2 1 ATOM 905 C CE1 . HIS A 1 124 ? 29.076 59.191 -29.918 1.00 51.83 ? 142 HIS P CE1 1 ATOM 906 N NE2 . HIS A 1 124 ? 28.043 59.159 -30.796 1.00 44.95 ? 142 HIS P NE2 1 ATOM 907 N N . ARG A 1 125 ? 30.433 53.243 -32.011 1.00 57.20 ? 143 ARG P N 1 ATOM 908 C CA . ARG A 1 125 ? 31.196 52.097 -32.393 1.00 52.35 ? 143 ARG P CA 1 ATOM 909 C C . ARG A 1 125 ? 30.729 50.795 -31.685 1.00 56.67 ? 143 ARG P C 1 ATOM 910 O O . ARG A 1 125 ? 30.545 50.698 -30.472 1.00 56.91 ? 143 ARG P O 1 ATOM 911 C CB . ARG A 1 125 ? 32.671 52.236 -31.997 1.00 48.35 ? 143 ARG P CB 1 ATOM 912 C CG . ARG A 1 125 ? 33.341 53.525 -32.429 1.00 58.47 ? 143 ARG P CG 1 ATOM 913 C CD . ARG A 1 125 ? 34.823 53.295 -32.851 1.00 54.63 ? 143 ARG P CD 1 ATOM 914 N NE . ARG A 1 125 ? 35.347 54.603 -33.119 1.00 54.97 ? 143 ARG P NE 1 ATOM 915 C CZ . ARG A 1 125 ? 36.502 55.217 -33.000 1.00 57.94 ? 143 ARG P CZ 1 ATOM 916 N NH1 . ARG A 1 125 ? 37.641 54.656 -32.586 1.00 50.47 ? 143 ARG P NH1 1 ATOM 917 N NH2 . ARG A 1 125 ? 36.423 56.513 -33.368 1.00 54.22 ? 143 ARG P NH2 1 ATOM 918 N N . PHE A 1 126 ? 30.696 49.700 -32.428 1.00 51.83 ? 144 PHE P N 1 ATOM 919 C CA . PHE A 1 126 ? 30.339 48.393 -32.036 1.00 42.52 ? 144 PHE P CA 1 ATOM 920 C C . PHE A 1 126 ? 31.087 47.270 -32.718 1.00 48.34 ? 144 PHE P C 1 ATOM 921 O O . PHE A 1 126 ? 30.834 47.024 -33.903 1.00 57.00 ? 144 PHE P O 1 ATOM 922 C CB . PHE A 1 126 ? 28.850 48.171 -32.398 1.00 41.35 ? 144 PHE P CB 1 ATOM 923 C CG . PHE A 1 126 ? 28.344 46.822 -31.988 1.00 49.13 ? 144 PHE P CG 1 ATOM 924 C CD1 . PHE A 1 126 ? 28.790 46.232 -30.793 1.00 49.29 ? 144 PHE P CD1 1 ATOM 925 C CD2 . PHE A 1 126 ? 27.426 46.155 -32.800 1.00 45.56 ? 144 PHE P CD2 1 ATOM 926 C CE1 . PHE A 1 126 ? 28.366 44.962 -30.442 1.00 44.60 ? 144 PHE P CE1 1 ATOM 927 C CE2 . PHE A 1 126 ? 26.997 44.889 -32.438 1.00 46.75 ? 144 PHE P CE2 1 ATOM 928 C CZ . PHE A 1 126 ? 27.458 44.323 -31.277 1.00 47.25 ? 144 PHE P CZ 1 ATOM 929 N N . LEU A 1 127 ? 31.887 46.530 -31.990 1.00 42.54 ? 145 LEU P N 1 ATOM 930 C CA . LEU A 1 127 ? 32.428 45.266 -32.450 1.00 39.09 ? 145 LEU P CA 1 ATOM 931 C C . LEU A 1 127 ? 31.923 44.169 -31.482 1.00 43.24 ? 145 LEU P C 1 ATOM 932 O O . LEU A 1 127 ? 32.343 44.083 -30.308 1.00 41.92 ? 145 LEU P O 1 ATOM 933 C CB . LEU A 1 127 ? 33.991 45.290 -32.450 1.00 37.32 ? 145 LEU P CB 1 ATOM 934 C CG . LEU A 1 127 ? 34.605 43.972 -32.944 1.00 41.58 ? 145 LEU P CG 1 ATOM 935 C CD1 . LEU A 1 127 ? 34.122 43.511 -34.332 1.00 39.09 ? 145 LEU P CD1 1 ATOM 936 C CD2 . LEU A 1 127 ? 36.103 43.957 -32.836 1.00 33.07 ? 145 LEU P CD2 1 ATOM 937 N N . GLY A 1 128 ? 31.011 43.276 -31.831 1.00 40.45 ? 146 GLY P N 1 ATOM 938 C CA . GLY A 1 128 ? 30.610 42.179 -31.023 1.00 39.18 ? 146 GLY P CA 1 ATOM 939 C C . GLY A 1 128 ? 29.658 41.171 -31.595 1.00 44.16 ? 146 GLY P C 1 ATOM 940 O O . GLY A 1 128 ? 29.167 41.194 -32.717 1.00 46.36 ? 146 GLY P O 1 ATOM 941 N N . ILE A 1 129 ? 29.208 40.255 -30.726 1.00 41.58 ? 147 ILE P N 1 ATOM 942 C CA . ILE A 1 129 ? 28.257 39.188 -31.034 1.00 37.50 ? 147 ILE P CA 1 ATOM 943 C C . ILE A 1 129 ? 26.922 39.623 -30.494 1.00 39.64 ? 147 ILE P C 1 ATOM 944 O O . ILE A 1 129 ? 26.928 40.217 -29.410 1.00 46.97 ? 147 ILE P O 1 ATOM 945 C CB . ILE A 1 129 ? 28.786 37.907 -30.390 1.00 34.28 ? 147 ILE P CB 1 ATOM 946 C CG1 . ILE A 1 129 ? 30.231 37.663 -30.742 1.00 32.66 ? 147 ILE P CG1 1 ATOM 947 C CG2 . ILE A 1 129 ? 27.864 36.786 -30.821 1.00 42.24 ? 147 ILE P CG2 1 ATOM 948 C CD1 . ILE A 1 129 ? 30.763 36.341 -30.227 1.00 41.30 ? 147 ILE P CD1 1 ATOM 949 N N . PRO A 1 130 ? 25.866 39.618 -31.260 1.00 41.24 ? 148 PRO P N 1 ATOM 950 C CA . PRO A 1 130 ? 24.600 40.232 -30.881 1.00 38.19 ? 148 PRO P CA 1 ATOM 951 C C . PRO A 1 130 ? 23.704 39.496 -29.920 1.00 36.28 ? 148 PRO P C 1 ATOM 952 O O . PRO A 1 130 ? 22.474 39.785 -29.727 1.00 31.56 ? 148 PRO P O 1 ATOM 953 C CB . PRO A 1 130 ? 23.788 40.268 -32.234 1.00 34.36 ? 148 PRO P CB 1 ATOM 954 C CG . PRO A 1 130 ? 24.349 39.134 -32.982 1.00 32.50 ? 148 PRO P CG 1 ATOM 955 C CD . PRO A 1 130 ? 25.883 39.208 -32.687 1.00 33.47 ? 148 PRO P CD 1 ATOM 956 N N . TYR A 1 131 ? 24.221 38.377 -29.383 1.00 34.15 ? 149 TYR P N 1 ATOM 957 C CA . TYR A 1 131 ? 23.431 37.528 -28.446 1.00 32.56 ? 149 TYR P CA 1 ATOM 958 C C . TYR A 1 131 ? 24.381 36.544 -27.818 1.00 35.32 ? 149 TYR P C 1 ATOM 959 O O . TYR A 1 131 ? 25.574 36.970 -27.813 1.00 32.94 ? 149 TYR P O 1 ATOM 960 C CB . TYR A 1 131 ? 22.211 36.982 -29.108 1.00 36.61 ? 149 TYR P CB 1 ATOM 961 C CG . TYR A 1 131 ? 22.345 36.456 -30.507 1.00 43.64 ? 149 TYR P CG 1 ATOM 962 C CD1 . TYR A 1 131 ? 23.274 35.443 -30.703 1.00 40.81 ? 149 TYR P CD1 1 ATOM 963 C CD2 . TYR A 1 131 ? 21.568 36.926 -31.591 1.00 45.18 ? 149 TYR P CD2 1 ATOM 964 C CE1 . TYR A 1 131 ? 23.432 34.882 -31.964 1.00 43.56 ? 149 TYR P CE1 1 ATOM 965 C CE2 . TYR A 1 131 ? 21.746 36.392 -32.855 1.00 41.94 ? 149 TYR P CE2 1 ATOM 966 C CZ . TYR A 1 131 ? 22.690 35.394 -33.026 1.00 45.79 ? 149 TYR P CZ 1 ATOM 967 O OH . TYR A 1 131 ? 22.899 34.756 -34.235 1.00 42.60 ? 149 TYR P OH 1 ATOM 968 N N . SER A 1 132 ? 24.018 35.491 -27.075 1.00 29.88 ? 150 SER P N 1 ATOM 969 C CA . SER A 1 132 ? 25.108 34.824 -26.357 1.00 32.33 ? 150 SER P CA 1 ATOM 970 C C . SER A 1 132 ? 25.961 34.017 -27.344 1.00 33.23 ? 150 SER P C 1 ATOM 971 O O . SER A 1 132 ? 25.340 33.336 -28.198 1.00 31.62 ? 150 SER P O 1 ATOM 972 C CB . SER A 1 132 ? 24.667 33.807 -25.267 1.00 25.09 ? 150 SER P CB 1 ATOM 973 O OG . SER A 1 132 ? 23.526 34.318 -24.679 1.00 37.95 ? 150 SER P OG 1 ATOM 974 N N . HIS A 1 133 ? 27.217 33.689 -26.961 1.00 24.50 ? 151 HIS P N 1 ATOM 975 C CA . HIS A 1 133 ? 27.954 32.926 -27.944 1.00 30.21 ? 151 HIS P CA 1 ATOM 976 C C . HIS A 1 133 ? 27.578 31.492 -28.151 1.00 31.61 ? 151 HIS P C 1 ATOM 977 O O . HIS A 1 133 ? 28.334 30.811 -28.882 1.00 35.20 ? 151 HIS P O 1 ATOM 978 C CB . HIS A 1 133 ? 29.462 32.989 -27.596 1.00 22.78 ? 151 HIS P CB 1 ATOM 979 C CG . HIS A 1 133 ? 29.957 32.451 -26.331 1.00 29.60 ? 151 HIS P CG 1 ATOM 980 N ND1 . HIS A 1 133 ? 29.748 33.073 -25.042 1.00 22.09 ? 151 HIS P ND1 1 ATOM 981 C CD2 . HIS A 1 133 ? 30.757 31.382 -26.219 1.00 28.28 ? 151 HIS P CD2 1 ATOM 982 C CE1 . HIS A 1 133 ? 30.444 32.247 -24.252 1.00 28.67 ? 151 HIS P CE1 1 ATOM 983 N NE2 . HIS A 1 133 ? 31.060 31.239 -24.895 1.00 28.13 ? 151 HIS P NE2 1 ATOM 984 N N . ASP A 1 134 ? 26.626 30.940 -27.405 1.00 30.37 ? 152 ASP P N 1 ATOM 985 C CA . ASP A 1 134 ? 26.237 29.536 -27.485 1.00 28.68 ? 152 ASP P CA 1 ATOM 986 C C . ASP A 1 134 ? 24.915 29.445 -28.221 1.00 21.37 ? 152 ASP P C 1 ATOM 987 O O . ASP A 1 134 ? 24.342 28.355 -28.293 1.00 30.70 ? 152 ASP P O 1 ATOM 988 C CB . ASP A 1 134 ? 26.120 28.862 -26.098 1.00 25.00 ? 152 ASP P CB 1 ATOM 989 C CG . ASP A 1 134 ? 24.878 29.342 -25.354 1.00 32.65 ? 152 ASP P CG 1 ATOM 990 O OD1 . ASP A 1 134 ? 24.560 30.558 -25.355 1.00 27.45 ? 152 ASP P OD1 1 ATOM 991 O OD2 . ASP A 1 134 ? 24.177 28.554 -24.683 1.00 40.05 ? 152 ASP P OD2 1 ATOM 992 N N . GLN A 1 135 ? 24.435 30.554 -28.736 1.00 24.28 ? 153 GLN P N 1 ATOM 993 C CA . GLN A 1 135 ? 23.194 30.530 -29.463 1.00 28.35 ? 153 GLN P CA 1 ATOM 994 C C . GLN A 1 135 ? 23.469 30.237 -30.923 1.00 34.69 ? 153 GLN P C 1 ATOM 995 O O . GLN A 1 135 ? 23.042 31.015 -31.789 1.00 26.45 ? 153 GLN P O 1 ATOM 996 C CB . GLN A 1 135 ? 22.438 31.837 -29.168 1.00 24.20 ? 153 GLN P CB 1 ATOM 997 C CG . GLN A 1 135 ? 21.836 31.881 -27.739 1.00 27.85 ? 153 GLN P CG 1 ATOM 998 C CD . GLN A 1 135 ? 21.049 33.120 -27.400 1.00 25.50 ? 153 GLN P CD 1 ATOM 999 O OE1 . GLN A 1 135 ? 19.798 33.201 -27.229 1.00 27.86 ? 153 GLN P OE1 1 ATOM 1000 N NE2 . GLN A 1 135 ? 21.737 34.240 -27.200 1.00 27.93 ? 153 GLN P NE2 1 ATOM 1001 N N . GLY A 1 136 ? 24.170 29.142 -31.289 1.00 29.09 ? 154 GLY P N 1 ATOM 1002 C CA . GLY A 1 136 ? 24.422 28.813 -32.709 1.00 34.21 ? 154 GLY P CA 1 ATOM 1003 C C . GLY A 1 136 ? 25.402 27.652 -32.533 1.00 39.71 ? 154 GLY P C 1 ATOM 1004 O O . GLY A 1 136 ? 25.891 27.612 -31.421 1.00 33.29 ? 154 GLY P O 1 ATOM 1005 N N . PRO A 1 137 ? 25.521 26.679 -33.416 1.00 43.91 ? 155 PRO P N 1 ATOM 1006 C CA . PRO A 1 137 ? 26.182 25.419 -33.175 1.00 35.11 ? 155 PRO P CA 1 ATOM 1007 C C . PRO A 1 137 ? 27.662 25.503 -32.937 1.00 33.87 ? 155 PRO P C 1 ATOM 1008 O O . PRO A 1 137 ? 28.229 26.371 -33.594 1.00 40.49 ? 155 PRO P O 1 ATOM 1009 C CB . PRO A 1 137 ? 25.880 24.586 -34.408 1.00 36.34 ? 155 PRO P CB 1 ATOM 1010 C CG . PRO A 1 137 ? 25.352 25.538 -35.434 1.00 34.89 ? 155 PRO P CG 1 ATOM 1011 C CD . PRO A 1 137 ? 24.671 26.626 -34.657 1.00 45.01 ? 155 PRO P CD 1 ATOM 1012 N N . CYS A 1 138 ? 28.265 24.680 -32.062 1.00 29.55 ? 156 CYS P N 1 ATOM 1013 C CA . CYS A 1 138 ? 29.667 25.000 -31.730 1.00 27.99 ? 156 CYS P CA 1 ATOM 1014 C C . CYS A 1 138 ? 30.358 23.689 -31.669 1.00 33.06 ? 156 CYS P C 1 ATOM 1015 O O . CYS A 1 138 ? 31.505 23.631 -31.197 1.00 27.13 ? 156 CYS P O 1 ATOM 1016 C CB . CYS A 1 138 ? 29.614 25.766 -30.380 1.00 35.87 ? 156 CYS P CB 1 ATOM 1017 S SG . CYS A 1 138 ? 29.165 24.754 -28.853 1.00 35.25 ? 156 CYS P SG 1 ATOM 1018 N N . GLN A 1 139 ? 29.687 22.603 -32.165 1.00 28.59 ? 157 GLN P N 1 ATOM 1019 C CA . GLN A 1 139 ? 30.410 21.310 -32.096 1.00 36.29 ? 157 GLN P CA 1 ATOM 1020 C C . GLN A 1 139 ? 31.671 21.374 -32.948 1.00 39.48 ? 157 GLN P C 1 ATOM 1021 O O . GLN A 1 139 ? 32.667 20.729 -32.672 1.00 45.26 ? 157 GLN P O 1 ATOM 1022 C CB . GLN A 1 139 ? 29.673 20.122 -32.658 1.00 43.55 ? 157 GLN P CB 1 ATOM 1023 C CG . GLN A 1 139 ? 28.889 20.453 -33.910 1.00 39.14 ? 157 GLN P CG 1 ATOM 1024 C CD . GLN A 1 139 ? 27.553 21.100 -33.678 1.00 48.75 ? 157 GLN P CD 1 ATOM 1025 O OE1 . GLN A 1 139 ? 27.274 22.096 -33.006 1.00 48.54 ? 157 GLN P OE1 1 ATOM 1026 N NE2 . GLN A 1 139 ? 26.531 20.507 -34.275 1.00 54.38 ? 157 GLN P NE2 1 ATOM 1027 N N . ASN A 1 140 ? 31.645 22.206 -33.992 1.00 42.70 ? 158 ASN P N 1 ATOM 1028 C CA . ASN A 1 140 ? 32.879 22.362 -34.773 1.00 50.64 ? 158 ASN P CA 1 ATOM 1029 C C . ASN A 1 140 ? 33.631 23.574 -34.284 1.00 49.87 ? 158 ASN P C 1 ATOM 1030 O O . ASN A 1 140 ? 34.761 23.725 -34.788 1.00 50.82 ? 158 ASN P O 1 ATOM 1031 C CB . ASN A 1 140 ? 32.511 22.260 -36.276 1.00 52.71 ? 158 ASN P CB 1 ATOM 1032 C CG . ASN A 1 140 ? 31.838 20.979 -36.726 1.00 62.53 ? 158 ASN P CG 1 ATOM 1033 O OD1 . ASN A 1 140 ? 30.992 20.920 -37.671 1.00 71.66 ? 158 ASN P OD1 1 ATOM 1034 N ND2 . ASN A 1 140 ? 32.102 19.788 -36.136 1.00 65.58 ? 158 ASN P ND2 1 ATOM 1035 N N . LEU A 1 141 ? 33.268 24.431 -33.278 1.00 43.37 ? 159 LEU P N 1 ATOM 1036 C CA . LEU A 1 141 ? 34.221 25.520 -32.954 1.00 34.91 ? 159 LEU P CA 1 ATOM 1037 C C . LEU A 1 141 ? 35.405 25.154 -32.102 1.00 31.99 ? 159 LEU P C 1 ATOM 1038 O O . LEU A 1 141 ? 35.320 24.123 -31.463 1.00 38.18 ? 159 LEU P O 1 ATOM 1039 C CB . LEU A 1 141 ? 33.567 26.714 -32.331 1.00 36.77 ? 159 LEU P CB 1 ATOM 1040 C CG . LEU A 1 141 ? 32.327 27.229 -33.073 1.00 43.73 ? 159 LEU P CG 1 ATOM 1041 C CD1 . LEU A 1 141 ? 32.189 28.726 -32.835 1.00 45.71 ? 159 LEU P CD1 1 ATOM 1042 C CD2 . LEU A 1 141 ? 32.291 26.991 -34.568 1.00 44.02 ? 159 LEU P CD2 1 ATOM 1043 N N . THR A 1 142 ? 36.513 25.891 -32.082 1.00 34.42 ? 160 THR P N 1 ATOM 1044 C CA . THR A 1 142 ? 37.623 25.610 -31.195 1.00 37.56 ? 160 THR P CA 1 ATOM 1045 C C . THR A 1 142 ? 37.389 26.495 -29.965 1.00 43.29 ? 160 THR P C 1 ATOM 1046 O O . THR A 1 142 ? 37.046 27.676 -30.151 1.00 43.92 ? 160 THR P O 1 ATOM 1047 C CB . THR A 1 142 ? 39.013 25.801 -31.784 1.00 39.02 ? 160 THR P CB 1 ATOM 1048 O OG1 . THR A 1 142 ? 39.142 24.602 -32.601 1.00 46.64 ? 160 THR P OG1 1 ATOM 1049 C CG2 . THR A 1 142 ? 40.240 25.739 -30.863 1.00 24.23 ? 160 THR P CG2 1 ATOM 1050 N N . CYS A 1 143 ? 37.525 25.916 -28.771 1.00 39.02 ? 161 CYS P N 1 ATOM 1051 C CA . CYS A 1 143 ? 37.262 26.873 -27.637 1.00 38.02 ? 161 CYS P CA 1 ATOM 1052 C C . CYS A 1 143 ? 38.559 27.270 -27.016 1.00 41.16 ? 161 CYS P C 1 ATOM 1053 O O . CYS A 1 143 ? 38.742 28.339 -26.442 1.00 44.47 ? 161 CYS P O 1 ATOM 1054 C CB . CYS A 1 143 ? 36.212 26.171 -26.767 1.00 36.61 ? 161 CYS P CB 1 ATOM 1055 S SG . CYS A 1 143 ? 34.577 26.899 -26.917 1.00 40.28 ? 161 CYS P SG 1 ATOM 1056 N N . PHE A 1 144 ? 39.536 26.346 -27.066 1.00 34.59 ? 162 PHE P N 1 ATOM 1057 C CA . PHE A 1 144 ? 40.860 26.513 -26.535 1.00 40.63 ? 162 PHE P CA 1 ATOM 1058 C C . PHE A 1 144 ? 41.844 25.978 -27.618 1.00 46.49 ? 162 PHE P C 1 ATOM 1059 O O . PHE A 1 144 ? 41.670 24.882 -28.117 1.00 43.44 ? 162 PHE P O 1 ATOM 1060 C CB . PHE A 1 144 ? 41.091 25.686 -25.245 1.00 42.41 ? 162 PHE P CB 1 ATOM 1061 C CG . PHE A 1 144 ? 40.163 26.092 -24.115 1.00 40.01 ? 162 PHE P CG 1 ATOM 1062 C CD1 . PHE A 1 144 ? 40.436 27.190 -23.332 1.00 33.48 ? 162 PHE P CD1 1 ATOM 1063 C CD2 . PHE A 1 144 ? 38.971 25.369 -23.936 1.00 36.59 ? 162 PHE P CD2 1 ATOM 1064 C CE1 . PHE A 1 144 ? 39.579 27.599 -22.358 1.00 40.74 ? 162 PHE P CE1 1 ATOM 1065 C CE2 . PHE A 1 144 ? 38.094 25.814 -22.971 1.00 36.86 ? 162 PHE P CE2 1 ATOM 1066 C CZ . PHE A 1 144 ? 38.395 26.890 -22.164 1.00 37.34 ? 162 PHE P CZ 1 ATOM 1067 N N . PRO A 1 145 ? 42.746 26.824 -28.057 1.00 51.61 ? 163 PRO P N 1 ATOM 1068 C CA . PRO A 1 145 ? 43.718 26.524 -29.081 1.00 57.71 ? 163 PRO P CA 1 ATOM 1069 C C . PRO A 1 145 ? 44.702 25.556 -28.449 1.00 58.28 ? 163 PRO P C 1 ATOM 1070 O O . PRO A 1 145 ? 44.783 25.630 -27.248 1.00 57.98 ? 163 PRO P O 1 ATOM 1071 C CB . PRO A 1 145 ? 44.409 27.868 -29.309 1.00 55.43 ? 163 PRO P CB 1 ATOM 1072 C CG . PRO A 1 145 ? 44.398 28.498 -27.973 1.00 53.45 ? 163 PRO P CG 1 ATOM 1073 C CD . PRO A 1 145 ? 42.958 28.215 -27.542 1.00 55.21 ? 163 PRO P CD 1 ATOM 1074 N N . PRO A 1 146 ? 45.390 24.762 -29.246 1.00 57.59 ? 164 PRO P N 1 ATOM 1075 C CA . PRO A 1 146 ? 45.289 24.816 -30.677 1.00 50.70 ? 164 PRO P CA 1 ATOM 1076 C C . PRO A 1 146 ? 44.069 24.165 -31.233 1.00 51.31 ? 164 PRO P C 1 ATOM 1077 O O . PRO A 1 146 ? 43.581 24.553 -32.313 1.00 49.18 ? 164 PRO P O 1 ATOM 1078 C CB . PRO A 1 146 ? 46.574 24.094 -31.150 1.00 52.71 ? 164 PRO P CB 1 ATOM 1079 C CG . PRO A 1 146 ? 46.917 23.137 -30.061 1.00 56.29 ? 164 PRO P CG 1 ATOM 1080 C CD . PRO A 1 146 ? 46.437 23.810 -28.774 1.00 62.68 ? 164 PRO P CD 1 ATOM 1081 N N . ALA A 1 147 ? 43.578 23.068 -30.612 1.00 56.99 ? 165 ALA P N 1 ATOM 1082 C CA . ALA A 1 147 ? 42.334 22.541 -31.273 1.00 60.40 ? 165 ALA P CA 1 ATOM 1083 C C . ALA A 1 147 ? 41.375 21.795 -30.349 1.00 59.54 ? 165 ALA P C 1 ATOM 1084 O O . ALA A 1 147 ? 40.590 20.913 -30.745 1.00 57.64 ? 165 ALA P O 1 ATOM 1085 C CB . ALA A 1 147 ? 42.774 21.857 -32.534 1.00 50.26 ? 165 ALA P CB 1 ATOM 1086 N N . THR A 1 148 ? 41.333 22.303 -29.098 1.00 54.52 ? 166 THR P N 1 ATOM 1087 C CA . THR A 1 148 ? 40.349 21.807 -28.124 1.00 43.99 ? 166 THR P CA 1 ATOM 1088 C C . THR A 1 148 ? 39.005 22.440 -28.474 1.00 39.23 ? 166 THR P C 1 ATOM 1089 O O . THR A 1 148 ? 38.777 23.674 -28.595 1.00 45.20 ? 166 THR P O 1 ATOM 1090 C CB . THR A 1 148 ? 40.768 22.099 -26.688 1.00 52.36 ? 166 THR P CB 1 ATOM 1091 O OG1 . THR A 1 148 ? 42.114 21.635 -26.450 1.00 53.33 ? 166 THR P OG1 1 ATOM 1092 C CG2 . THR A 1 148 ? 39.808 21.481 -25.671 1.00 49.09 ? 166 THR P CG2 1 ATOM 1093 N N . PRO A 1 149 ? 38.101 21.573 -28.836 1.00 29.53 ? 167 PRO P N 1 ATOM 1094 C CA . PRO A 1 149 ? 36.762 21.993 -29.252 1.00 34.07 ? 167 PRO P CA 1 ATOM 1095 C C . PRO A 1 149 ? 35.822 22.436 -28.140 1.00 37.76 ? 167 PRO P C 1 ATOM 1096 O O . PRO A 1 149 ? 35.842 21.811 -27.082 1.00 45.18 ? 167 PRO P O 1 ATOM 1097 C CB . PRO A 1 149 ? 36.169 20.696 -29.873 1.00 27.55 ? 167 PRO P CB 1 ATOM 1098 C CG . PRO A 1 149 ? 37.065 19.557 -29.552 1.00 22.84 ? 167 PRO P CG 1 ATOM 1099 C CD . PRO A 1 149 ? 38.273 20.093 -28.772 1.00 23.92 ? 167 PRO P CD 1 ATOM 1100 N N . CYS A 1 150 ? 34.871 23.340 -28.380 1.00 41.57 ? 168 CYS P N 1 ATOM 1101 C CA . CYS A 1 150 ? 33.861 23.716 -27.405 1.00 42.02 ? 168 CYS P CA 1 ATOM 1102 C C . CYS A 1 150 ? 33.084 22.549 -26.825 1.00 37.64 ? 168 CYS P C 1 ATOM 1103 O O . CYS A 1 150 ? 32.869 21.607 -27.559 1.00 46.37 ? 168 CYS P O 1 ATOM 1104 C CB . CYS A 1 150 ? 32.824 24.641 -28.067 1.00 42.04 ? 168 CYS P CB 1 ATOM 1105 S SG . CYS A 1 150 ? 33.701 26.168 -28.547 1.00 38.44 ? 168 CYS P SG 1 ATOM 1106 N N . ASP A 1 151 ? 32.674 22.541 -25.548 1.00 37.58 ? 169 ASP P N 1 ATOM 1107 C CA . ASP A 1 151 ? 32.065 21.299 -25.079 1.00 26.38 ? 169 ASP P CA 1 ATOM 1108 C C . ASP A 1 151 ? 30.616 21.378 -25.388 1.00 25.58 ? 169 ASP P C 1 ATOM 1109 O O . ASP A 1 151 ? 29.974 22.431 -25.337 1.00 30.50 ? 169 ASP P O 1 ATOM 1110 C CB . ASP A 1 151 ? 32.445 20.784 -23.663 1.00 37.75 ? 169 ASP P CB 1 ATOM 1111 C CG . ASP A 1 151 ? 31.513 21.312 -22.596 1.00 52.33 ? 169 ASP P CG 1 ATOM 1112 O OD1 . ASP A 1 151 ? 31.386 22.573 -22.616 1.00 62.32 ? 169 ASP P OD1 1 ATOM 1113 O OD2 . ASP A 1 151 ? 30.909 20.579 -21.781 1.00 53.51 ? 169 ASP P OD2 1 ATOM 1114 N N . GLY A 1 152 ? 30.094 20.164 -25.621 1.00 25.23 ? 170 GLY P N 1 ATOM 1115 C CA . GLY A 1 152 ? 28.708 20.016 -25.947 1.00 30.94 ? 170 GLY P CA 1 ATOM 1116 C C . GLY A 1 152 ? 28.002 20.600 -27.129 1.00 43.42 ? 170 GLY P C 1 ATOM 1117 O O . GLY A 1 152 ? 26.720 20.519 -27.075 1.00 47.49 ? 170 GLY P O 1 ATOM 1118 N N . GLY A 1 153 ? 28.581 21.218 -28.187 1.00 32.70 ? 171 GLY P N 1 ATOM 1119 C CA . GLY A 1 153 ? 27.540 21.597 -29.176 1.00 27.10 ? 171 GLY P CA 1 ATOM 1120 C C . GLY A 1 153 ? 26.634 22.784 -29.168 1.00 34.20 ? 171 GLY P C 1 ATOM 1121 O O . GLY A 1 153 ? 26.283 23.272 -30.288 1.00 35.50 ? 171 GLY P O 1 ATOM 1122 N N . CYS A 1 154 ? 26.362 23.525 -28.091 1.00 25.40 ? 172 CYS P N 1 ATOM 1123 C CA . CYS A 1 154 ? 25.461 24.659 -28.129 1.00 19.28 ? 172 CYS P CA 1 ATOM 1124 C C . CYS A 1 154 ? 24.199 24.557 -28.898 1.00 22.28 ? 172 CYS P C 1 ATOM 1125 O O . CYS A 1 154 ? 23.683 23.456 -29.103 1.00 35.48 ? 172 CYS P O 1 ATOM 1126 C CB . CYS A 1 154 ? 26.154 25.965 -28.618 1.00 22.01 ? 172 CYS P CB 1 ATOM 1127 S SG . CYS A 1 154 ? 27.855 25.957 -28.047 1.00 31.79 ? 172 CYS P SG 1 ATOM 1128 N N . ASP A 1 155 ? 23.557 25.713 -29.213 1.00 25.60 ? 173 ASP P N 1 ATOM 1129 C CA . ASP A 1 155 ? 22.260 25.568 -29.928 1.00 30.13 ? 173 ASP P CA 1 ATOM 1130 C C . ASP A 1 155 ? 22.344 25.087 -31.356 1.00 37.09 ? 173 ASP P C 1 ATOM 1131 O O . ASP A 1 155 ? 23.222 25.393 -32.173 1.00 45.45 ? 173 ASP P O 1 ATOM 1132 C CB . ASP A 1 155 ? 21.451 26.879 -29.878 1.00 35.73 ? 173 ASP P CB 1 ATOM 1133 C CG . ASP A 1 155 ? 21.163 27.344 -28.467 1.00 39.81 ? 173 ASP P CG 1 ATOM 1134 O OD1 . ASP A 1 155 ? 21.505 26.665 -27.473 1.00 35.65 ? 173 ASP P OD1 1 ATOM 1135 O OD2 . ASP A 1 155 ? 20.556 28.423 -28.341 1.00 48.03 ? 173 ASP P OD2 1 ATOM 1136 N N . GLN A 1 156 ? 21.402 24.273 -31.756 1.00 44.28 ? 174 GLN P N 1 ATOM 1137 C CA . GLN A 1 156 ? 21.305 23.601 -33.026 1.00 39.39 ? 174 GLN P CA 1 ATOM 1138 C C . GLN A 1 156 ? 20.228 24.215 -33.910 1.00 45.59 ? 174 GLN P C 1 ATOM 1139 O O . GLN A 1 156 ? 19.281 24.807 -33.428 1.00 47.32 ? 174 GLN P O 1 ATOM 1140 C CB . GLN A 1 156 ? 21.081 22.118 -32.811 1.00 41.53 ? 174 GLN P CB 1 ATOM 1141 C CG . GLN A 1 156 ? 22.188 21.260 -32.215 1.00 44.19 ? 174 GLN P CG 1 ATOM 1142 C CD . GLN A 1 156 ? 23.553 21.496 -32.771 1.00 54.97 ? 174 GLN P CD 1 ATOM 1143 O OE1 . GLN A 1 156 ? 23.641 21.310 -34.000 1.00 67.39 ? 174 GLN P OE1 1 ATOM 1144 N NE2 . GLN A 1 156 ? 24.622 21.891 -32.084 1.00 55.34 ? 174 GLN P NE2 1 ATOM 1145 N N . GLY A 1 157 ? 20.425 24.101 -35.227 1.00 44.30 ? 175 GLY P N 1 ATOM 1146 C CA . GLY A 1 157 ? 19.397 24.479 -36.204 1.00 38.33 ? 175 GLY P CA 1 ATOM 1147 C C . GLY A 1 157 ? 19.535 25.936 -36.579 1.00 39.74 ? 175 GLY P C 1 ATOM 1148 O O . GLY A 1 157 ? 18.576 26.605 -36.935 1.00 54.23 ? 175 GLY P O 1 ATOM 1149 N N . LEU A 1 158 ? 20.703 26.533 -36.307 1.00 38.60 ? 176 LEU P N 1 ATOM 1150 C CA . LEU A 1 158 ? 20.765 27.990 -36.401 1.00 37.30 ? 176 LEU P CA 1 ATOM 1151 C C . LEU A 1 158 ? 22.011 28.404 -37.140 1.00 37.25 ? 176 LEU P C 1 ATOM 1152 O O . LEU A 1 158 ? 23.029 27.700 -37.150 1.00 47.32 ? 176 LEU P O 1 ATOM 1153 C CB . LEU A 1 158 ? 20.829 28.525 -34.951 1.00 36.05 ? 176 LEU P CB 1 ATOM 1154 C CG . LEU A 1 158 ? 19.685 28.490 -33.961 1.00 44.90 ? 176 LEU P CG 1 ATOM 1155 C CD1 . LEU A 1 158 ? 20.164 29.025 -32.565 1.00 44.88 ? 176 LEU P CD1 1 ATOM 1156 C CD2 . LEU A 1 158 ? 18.552 29.406 -34.481 1.00 44.01 ? 176 LEU P CD2 1 ATOM 1157 N N . VAL A 1 159 ? 22.014 29.580 -37.676 1.00 36.70 ? 177 VAL P N 1 ATOM 1158 C CA . VAL A 1 159 ? 23.220 30.207 -38.292 1.00 44.74 ? 177 VAL P CA 1 ATOM 1159 C C . VAL A 1 159 ? 24.330 30.254 -37.294 1.00 46.88 ? 177 VAL P C 1 ATOM 1160 O O . VAL A 1 159 ? 24.188 30.424 -36.071 1.00 40.87 ? 177 VAL P O 1 ATOM 1161 C CB . VAL A 1 159 ? 22.524 31.567 -38.600 1.00 47.95 ? 177 VAL P CB 1 ATOM 1162 C CG1 . VAL A 1 159 ? 22.639 32.716 -37.624 1.00 39.73 ? 177 VAL P CG1 1 ATOM 1163 C CG2 . VAL A 1 159 ? 22.645 31.967 -40.036 1.00 41.19 ? 177 VAL P CG2 1 ATOM 1164 N N . PRO A 1 160 ? 25.578 30.111 -37.699 1.00 50.51 ? 178 PRO P N 1 ATOM 1165 C CA . PRO A 1 160 ? 26.719 30.222 -36.777 1.00 45.16 ? 178 PRO P CA 1 ATOM 1166 C C . PRO A 1 160 ? 26.679 31.598 -36.153 1.00 41.82 ? 178 PRO P C 1 ATOM 1167 O O . PRO A 1 160 ? 25.955 32.514 -36.523 1.00 41.09 ? 178 PRO P O 1 ATOM 1168 C CB . PRO A 1 160 ? 27.997 29.943 -37.552 1.00 40.46 ? 178 PRO P CB 1 ATOM 1169 C CG . PRO A 1 160 ? 27.439 29.207 -38.747 1.00 43.21 ? 178 PRO P CG 1 ATOM 1170 C CD . PRO A 1 160 ? 26.036 29.729 -39.051 1.00 44.53 ? 178 PRO P CD 1 ATOM 1171 N N . ILE A 1 161 ? 27.490 31.733 -35.126 1.00 40.17 ? 179 ILE P N 1 ATOM 1172 C CA . ILE A 1 161 ? 27.609 33.014 -34.420 1.00 42.37 ? 179 ILE P CA 1 ATOM 1173 C C . ILE A 1 161 ? 28.301 34.043 -35.270 1.00 38.44 ? 179 ILE P C 1 ATOM 1174 O O . ILE A 1 161 ? 29.469 33.973 -35.674 1.00 43.46 ? 179 ILE P O 1 ATOM 1175 C CB . ILE A 1 161 ? 28.209 32.614 -33.041 1.00 37.94 ? 179 ILE P CB 1 ATOM 1176 C CG1 . ILE A 1 161 ? 27.078 33.146 -32.102 1.00 39.19 ? 179 ILE P CG1 1 ATOM 1177 C CG2 . ILE A 1 161 ? 29.520 32.903 -32.420 1.00 30.70 ? 179 ILE P CG2 1 ATOM 1178 C CD1 . ILE A 1 161 ? 26.367 31.842 -31.733 1.00 44.63 ? 179 ILE P CD1 1 ATOM 1179 N N . PRO A 1 162 ? 27.642 35.162 -35.477 1.00 38.40 ? 180 PRO P N 1 ATOM 1180 C CA . PRO A 1 162 ? 28.259 36.232 -36.238 1.00 33.93 ? 180 PRO P CA 1 ATOM 1181 C C . PRO A 1 162 ? 28.991 37.228 -35.395 1.00 40.64 ? 180 PRO P C 1 ATOM 1182 O O . PRO A 1 162 ? 28.327 37.821 -34.540 1.00 38.45 ? 180 PRO P O 1 ATOM 1183 C CB . PRO A 1 162 ? 27.028 36.893 -36.827 1.00 34.13 ? 180 PRO P CB 1 ATOM 1184 C CG . PRO A 1 162 ? 25.927 36.816 -35.799 1.00 31.60 ? 180 PRO P CG 1 ATOM 1185 C CD . PRO A 1 162 ? 26.261 35.503 -35.060 1.00 35.12 ? 180 PRO P CD 1 ATOM 1186 N N . LEU A 1 163 ? 30.244 37.566 -35.678 1.00 42.12 ? 181 LEU P N 1 ATOM 1187 C CA . LEU A 1 163 ? 30.904 38.743 -35.114 1.00 38.35 ? 181 LEU P CA 1 ATOM 1188 C C . LEU A 1 163 ? 30.517 39.900 -36.075 1.00 48.12 ? 181 LEU P C 1 ATOM 1189 O O . LEU A 1 163 ? 30.459 39.721 -37.302 1.00 45.37 ? 181 LEU P O 1 ATOM 1190 C CB . LEU A 1 163 ? 32.413 38.534 -35.085 1.00 37.68 ? 181 LEU P CB 1 ATOM 1191 C CG . LEU A 1 163 ? 33.201 39.783 -34.677 1.00 39.82 ? 181 LEU P CG 1 ATOM 1192 C CD1 . LEU A 1 163 ? 32.824 40.158 -33.233 1.00 41.85 ? 181 LEU P CD1 1 ATOM 1193 C CD2 . LEU A 1 163 ? 34.684 39.490 -34.760 1.00 34.12 ? 181 LEU P CD2 1 ATOM 1194 N N . LEU A 1 164 ? 30.023 41.013 -35.586 1.00 46.35 ? 182 LEU P N 1 ATOM 1195 C CA . LEU A 1 164 ? 29.582 42.180 -36.217 1.00 37.81 ? 182 LEU P CA 1 ATOM 1196 C C . LEU A 1 164 ? 30.426 43.431 -35.940 1.00 46.26 ? 182 LEU P C 1 ATOM 1197 O O . LEU A 1 164 ? 31.107 43.524 -34.923 1.00 45.07 ? 182 LEU P O 1 ATOM 1198 C CB . LEU A 1 164 ? 28.220 42.655 -35.790 1.00 38.98 ? 182 LEU P CB 1 ATOM 1199 C CG . LEU A 1 164 ? 27.085 41.678 -36.058 1.00 41.98 ? 182 LEU P CG 1 ATOM 1200 C CD1 . LEU A 1 164 ? 25.779 42.425 -35.708 1.00 47.34 ? 182 LEU P CD1 1 ATOM 1201 C CD2 . LEU A 1 164 ? 27.015 41.326 -37.518 1.00 38.90 ? 182 LEU P CD2 1 ATOM 1202 N N . ALA A 1 165 ? 30.418 44.297 -36.987 1.00 48.42 ? 183 ALA P N 1 ATOM 1203 C CA . ALA A 1 165 ? 31.090 45.613 -36.916 1.00 44.44 ? 183 ALA P CA 1 ATOM 1204 C C . ALA A 1 165 ? 29.996 46.598 -37.327 1.00 44.82 ? 183 ALA P C 1 ATOM 1205 O O . ALA A 1 165 ? 29.423 46.457 -38.407 1.00 41.17 ? 183 ALA P O 1 ATOM 1206 C CB . ALA A 1 165 ? 32.325 45.777 -37.692 1.00 34.35 ? 183 ALA P CB 1 ATOM 1207 N N . ASN A 1 166 ? 29.530 47.310 -36.308 1.00 42.98 ? 184 ASN P N 1 ATOM 1208 C CA . ASN A 1 166 ? 28.320 48.128 -36.548 1.00 49.48 ? 184 ASN P CA 1 ATOM 1209 C C . ASN A 1 166 ? 27.285 47.192 -37.140 1.00 45.34 ? 184 ASN P C 1 ATOM 1210 O O . ASN A 1 166 ? 27.039 46.199 -36.449 1.00 51.42 ? 184 ASN P O 1 ATOM 1211 C CB . ASN A 1 166 ? 28.576 49.369 -37.370 1.00 50.17 ? 184 ASN P CB 1 ATOM 1212 C CG . ASN A 1 166 ? 29.768 50.131 -36.746 1.00 54.57 ? 184 ASN P CG 1 ATOM 1213 O OD1 . ASN A 1 166 ? 29.639 50.390 -35.534 1.00 51.18 ? 184 ASN P OD1 1 ATOM 1214 N ND2 . ASN A 1 166 ? 30.742 50.276 -37.560 1.00 57.71 ? 184 ASN P ND2 1 ATOM 1215 N N . LEU A 1 167 ? 26.739 47.378 -38.299 1.00 44.59 ? 185 LEU P N 1 ATOM 1216 C CA . LEU A 1 167 ? 25.821 46.396 -38.842 1.00 46.34 ? 185 LEU P CA 1 ATOM 1217 C C . LEU A 1 167 ? 26.459 45.421 -39.827 1.00 45.91 ? 185 LEU P C 1 ATOM 1218 O O . LEU A 1 167 ? 25.683 44.658 -40.422 1.00 46.29 ? 185 LEU P O 1 ATOM 1219 C CB . LEU A 1 167 ? 24.632 47.027 -39.555 1.00 46.88 ? 185 LEU P CB 1 ATOM 1220 C CG . LEU A 1 167 ? 24.288 48.438 -39.057 1.00 50.18 ? 185 LEU P CG 1 ATOM 1221 C CD1 . LEU A 1 167 ? 23.122 48.976 -39.872 1.00 48.11 ? 185 LEU P CD1 1 ATOM 1222 C CD2 . LEU A 1 167 ? 23.984 48.444 -37.568 1.00 49.27 ? 185 LEU P CD2 1 ATOM 1223 N N . SER A 1 168 ? 27.770 45.148 -39.810 1.00 44.06 ? 186 SER P N 1 ATOM 1224 C CA . SER A 1 168 ? 28.184 44.230 -40.842 1.00 45.87 ? 186 SER P CA 1 ATOM 1225 C C . SER A 1 168 ? 28.846 42.994 -40.291 1.00 45.09 ? 186 SER P C 1 ATOM 1226 O O . SER A 1 168 ? 29.712 43.077 -39.425 1.00 43.13 ? 186 SER P O 1 ATOM 1227 C CB . SER A 1 168 ? 29.170 44.936 -41.815 1.00 54.86 ? 186 SER P CB 1 ATOM 1228 O OG . SER A 1 168 ? 28.564 45.933 -42.605 1.00 65.73 ? 186 SER P OG 1 ATOM 1229 N N . VAL A 1 169 ? 28.519 41.876 -40.959 1.00 43.47 ? 187 VAL P N 1 ATOM 1230 C CA . VAL A 1 169 ? 29.151 40.689 -40.509 1.00 38.81 ? 187 VAL P CA 1 ATOM 1231 C C . VAL A 1 169 ? 30.646 40.773 -40.758 1.00 45.42 ? 187 VAL P C 1 ATOM 1232 O O . VAL A 1 169 ? 31.032 40.363 -41.838 1.00 53.57 ? 187 VAL P O 1 ATOM 1233 C CB . VAL A 1 169 ? 28.696 39.412 -41.194 1.00 36.92 ? 187 VAL P CB 1 ATOM 1234 C CG1 . VAL A 1 169 ? 29.425 38.240 -40.516 1.00 38.12 ? 187 VAL P CG1 1 ATOM 1235 C CG2 . VAL A 1 169 ? 27.206 39.393 -41.127 1.00 31.74 ? 187 VAL P CG2 1 ATOM 1236 N N . GLU A 1 170 ? 31.471 41.082 -39.798 1.00 39.09 ? 188 GLU P N 1 ATOM 1237 C CA . GLU A 1 170 ? 32.896 40.878 -39.977 1.00 41.48 ? 188 GLU P CA 1 ATOM 1238 C C . GLU A 1 170 ? 33.328 39.449 -39.942 1.00 45.51 ? 188 GLU P C 1 ATOM 1239 O O . GLU A 1 170 ? 34.526 39.177 -40.173 1.00 52.70 ? 188 GLU P O 1 ATOM 1240 C CB . GLU A 1 170 ? 33.534 41.694 -38.857 1.00 49.31 ? 188 GLU P CB 1 ATOM 1241 C CG . GLU A 1 170 ? 34.996 41.389 -38.622 1.00 61.50 ? 188 GLU P CG 1 ATOM 1242 C CD . GLU A 1 170 ? 35.718 42.719 -38.748 1.00 72.22 ? 188 GLU P CD 1 ATOM 1243 O OE1 . GLU A 1 170 ? 35.290 43.520 -39.615 1.00 78.75 ? 188 GLU P OE1 1 ATOM 1244 O OE2 . GLU A 1 170 ? 36.661 42.909 -37.955 1.00 79.22 ? 188 GLU P OE2 1 ATOM 1245 N N . ALA A 1 171 ? 32.593 38.405 -39.576 1.00 53.16 ? 189 ALA P N 1 ATOM 1246 C CA . ALA A 1 171 ? 33.089 37.016 -39.471 1.00 44.04 ? 189 ALA P CA 1 ATOM 1247 C C . ALA A 1 171 ? 31.981 36.060 -39.036 1.00 44.76 ? 189 ALA P C 1 ATOM 1248 O O . ALA A 1 171 ? 31.055 36.556 -38.383 1.00 47.15 ? 189 ALA P O 1 ATOM 1249 C CB . ALA A 1 171 ? 34.234 36.762 -38.522 1.00 28.07 ? 189 ALA P CB 1 ATOM 1250 N N . GLN A 1 172 ? 32.019 34.779 -39.459 1.00 36.89 ? 190 GLN P N 1 ATOM 1251 C CA . GLN A 1 172 ? 30.854 34.008 -39.059 1.00 32.88 ? 190 GLN P CA 1 ATOM 1252 C C . GLN A 1 172 ? 31.183 32.555 -39.314 1.00 42.61 ? 190 GLN P C 1 ATOM 1253 O O . GLN A 1 172 ? 30.788 32.053 -40.312 1.00 38.24 ? 190 GLN P O 1 ATOM 1254 C CB . GLN A 1 172 ? 29.578 34.527 -39.624 1.00 28.17 ? 190 GLN P CB 1 ATOM 1255 C CG . GLN A 1 172 ? 28.423 33.540 -39.727 1.00 40.42 ? 190 GLN P CG 1 ATOM 1256 C CD . GLN A 1 172 ? 27.092 34.177 -40.036 1.00 47.60 ? 190 GLN P CD 1 ATOM 1257 O OE1 . GLN A 1 172 ? 27.083 35.034 -40.928 1.00 59.43 ? 190 GLN P OE1 1 ATOM 1258 N NE2 . GLN A 1 172 ? 25.918 33.948 -39.451 1.00 52.72 ? 190 GLN P NE2 1 ATOM 1259 N N . PRO A 1 173 ? 31.591 31.847 -38.245 1.00 47.97 ? 191 PRO P N 1 ATOM 1260 C CA . PRO A 1 173 ? 31.748 32.478 -36.956 1.00 36.71 ? 191 PRO P CA 1 ATOM 1261 C C . PRO A 1 173 ? 33.131 32.985 -36.757 1.00 41.29 ? 191 PRO P C 1 ATOM 1262 O O . PRO A 1 173 ? 34.004 32.482 -37.433 1.00 46.19 ? 191 PRO P O 1 ATOM 1263 C CB . PRO A 1 173 ? 31.524 31.269 -36.035 1.00 47.08 ? 191 PRO P CB 1 ATOM 1264 C CG . PRO A 1 173 ? 32.220 30.146 -36.765 1.00 49.79 ? 191 PRO P CG 1 ATOM 1265 C CD . PRO A 1 173 ? 31.800 30.375 -38.215 1.00 43.85 ? 191 PRO P CD 1 ATOM 1266 N N . PRO A 1 174 ? 33.375 33.759 -35.703 1.00 46.72 ? 192 PRO P N 1 ATOM 1267 C CA . PRO A 1 174 ? 34.705 34.184 -35.321 1.00 39.21 ? 192 PRO P CA 1 ATOM 1268 C C . PRO A 1 174 ? 35.498 33.061 -34.699 1.00 41.10 ? 192 PRO P C 1 ATOM 1269 O O . PRO A 1 174 ? 34.995 31.970 -34.492 1.00 40.33 ? 192 PRO P O 1 ATOM 1270 C CB . PRO A 1 174 ? 34.405 35.325 -34.344 1.00 43.64 ? 192 PRO P CB 1 ATOM 1271 C CG . PRO A 1 174 ? 33.174 34.805 -33.667 1.00 45.06 ? 192 PRO P CG 1 ATOM 1272 C CD . PRO A 1 174 ? 32.323 34.242 -34.756 1.00 41.49 ? 192 PRO P CD 1 ATOM 1273 N N . TRP A 1 175 ? 36.779 33.285 -34.479 1.00 41.20 ? 193 TRP P N 1 ATOM 1274 C CA . TRP A 1 175 ? 37.696 32.352 -33.883 1.00 47.15 ? 193 TRP P CA 1 ATOM 1275 C C . TRP A 1 175 ? 37.764 32.749 -32.378 1.00 51.25 ? 193 TRP P C 1 ATOM 1276 O O . TRP A 1 175 ? 38.308 33.773 -31.931 1.00 47.27 ? 193 TRP P O 1 ATOM 1277 C CB . TRP A 1 175 ? 39.063 32.405 -34.598 1.00 38.20 ? 193 TRP P CB 1 ATOM 1278 C CG . TRP A 1 175 ? 39.885 31.190 -34.290 1.00 34.88 ? 193 TRP P CG 1 ATOM 1279 C CD1 . TRP A 1 175 ? 39.700 29.804 -34.424 1.00 35.42 ? 193 TRP P CD1 1 ATOM 1280 C CD2 . TRP A 1 175 ? 41.131 31.345 -33.615 1.00 23.92 ? 193 TRP P CD2 1 ATOM 1281 N NE1 . TRP A 1 175 ? 40.803 29.076 -33.849 1.00 34.89 ? 193 TRP P NE1 1 ATOM 1282 C CE2 . TRP A 1 175 ? 41.645 30.059 -33.359 1.00 23.42 ? 193 TRP P CE2 1 ATOM 1283 C CE3 . TRP A 1 175 ? 41.800 32.489 -33.270 1.00 30.67 ? 193 TRP P CE3 1 ATOM 1284 C CZ2 . TRP A 1 175 ? 42.855 29.863 -32.781 1.00 37.31 ? 193 TRP P CZ2 1 ATOM 1285 C CZ3 . TRP A 1 175 ? 43.038 32.305 -32.636 1.00 40.70 ? 193 TRP P CZ3 1 ATOM 1286 C CH2 . TRP A 1 175 ? 43.546 31.010 -32.386 1.00 44.21 ? 193 TRP P CH2 1 ATOM 1287 N N . LEU A 1 176 ? 37.201 31.848 -31.518 1.00 50.20 ? 194 LEU P N 1 ATOM 1288 C CA . LEU A 1 176 ? 37.060 32.249 -30.113 1.00 39.72 ? 194 LEU P CA 1 ATOM 1289 C C . LEU A 1 176 ? 38.376 32.460 -29.434 1.00 33.11 ? 194 LEU P C 1 ATOM 1290 O O . LEU A 1 176 ? 38.407 33.534 -28.846 1.00 32.44 ? 194 LEU P O 1 ATOM 1291 C CB . LEU A 1 176 ? 36.060 31.474 -29.319 1.00 34.86 ? 194 LEU P CB 1 ATOM 1292 C CG . LEU A 1 176 ? 34.675 31.261 -29.959 1.00 36.43 ? 194 LEU P CG 1 ATOM 1293 C CD1 . LEU A 1 176 ? 34.159 29.895 -29.511 1.00 31.22 ? 194 LEU P CD1 1 ATOM 1294 C CD2 . LEU A 1 176 ? 33.646 32.292 -29.617 1.00 26.40 ? 194 LEU P CD2 1 ATOM 1295 N N . PRO A 1 177 ? 39.442 31.739 -29.646 1.00 33.65 ? 195 PRO P N 1 ATOM 1296 C CA . PRO A 1 177 ? 40.716 32.037 -29.011 1.00 37.40 ? 195 PRO P CA 1 ATOM 1297 C C . PRO A 1 177 ? 41.200 33.405 -29.407 1.00 40.51 ? 195 PRO P C 1 ATOM 1298 O O . PRO A 1 177 ? 42.045 33.959 -28.722 1.00 44.56 ? 195 PRO P O 1 ATOM 1299 C CB . PRO A 1 177 ? 41.642 30.878 -29.386 1.00 32.44 ? 195 PRO P CB 1 ATOM 1300 C CG . PRO A 1 177 ? 40.682 29.798 -29.739 1.00 32.63 ? 195 PRO P CG 1 ATOM 1301 C CD . PRO A 1 177 ? 39.491 30.453 -30.415 1.00 36.22 ? 195 PRO P CD 1 ATOM 1302 N N . GLY A 1 178 ? 40.665 34.088 -30.431 1.00 42.80 ? 196 GLY P N 1 ATOM 1303 C CA . GLY A 1 178 ? 41.084 35.440 -30.711 1.00 39.31 ? 196 GLY P CA 1 ATOM 1304 C C . GLY A 1 178 ? 40.205 36.580 -30.359 1.00 42.90 ? 196 GLY P C 1 ATOM 1305 O O . GLY A 1 178 ? 40.632 37.755 -30.438 1.00 52.04 ? 196 GLY P O 1 ATOM 1306 N N . LEU A 1 179 ? 38.958 36.364 -29.918 1.00 42.79 ? 197 LEU P N 1 ATOM 1307 C CA . LEU A 1 179 ? 38.084 37.493 -29.564 1.00 39.03 ? 197 LEU P CA 1 ATOM 1308 C C . LEU A 1 179 ? 38.682 38.508 -28.629 1.00 35.81 ? 197 LEU P C 1 ATOM 1309 O O . LEU A 1 179 ? 38.586 39.732 -28.764 1.00 43.83 ? 197 LEU P O 1 ATOM 1310 C CB . LEU A 1 179 ? 36.880 36.762 -29.031 1.00 44.47 ? 197 LEU P CB 1 ATOM 1311 C CG . LEU A 1 179 ? 35.661 36.676 -29.922 1.00 51.46 ? 197 LEU P CG 1 ATOM 1312 C CD1 . LEU A 1 179 ? 34.377 36.575 -29.135 1.00 48.65 ? 197 LEU P CD1 1 ATOM 1313 C CD2 . LEU A 1 179 ? 35.620 37.870 -30.879 1.00 53.24 ? 197 LEU P CD2 1 ATOM 1314 N N . GLU A 1 180 ? 39.292 38.151 -27.528 1.00 36.82 ? 198 GLU P N 1 ATOM 1315 C CA . GLU A 1 180 ? 39.801 39.056 -26.533 1.00 45.90 ? 198 GLU P CA 1 ATOM 1316 C C . GLU A 1 180 ? 40.610 40.137 -27.258 1.00 47.07 ? 198 GLU P C 1 ATOM 1317 O O . GLU A 1 180 ? 40.210 41.311 -27.346 1.00 45.91 ? 198 GLU P O 1 ATOM 1318 C CB . GLU A 1 180 ? 40.489 38.298 -25.387 1.00 42.04 ? 198 GLU P CB 1 ATOM 1319 C CG . GLU A 1 180 ? 40.643 39.318 -24.238 1.00 55.59 ? 198 GLU P CG 1 ATOM 1320 C CD . GLU A 1 180 ? 42.110 39.677 -24.012 1.00 68.97 ? 198 GLU P CD 1 ATOM 1321 O OE1 . GLU A 1 180 ? 42.933 38.956 -24.658 1.00 74.09 ? 198 GLU P OE1 1 ATOM 1322 O OE2 . GLU A 1 180 ? 42.492 40.595 -23.231 1.00 71.06 ? 198 GLU P OE2 1 ATOM 1323 N N . ALA A 1 181 ? 41.672 39.727 -27.941 1.00 49.68 ? 199 ALA P N 1 ATOM 1324 C CA . ALA A 1 181 ? 42.581 40.545 -28.755 1.00 45.69 ? 199 ALA P CA 1 ATOM 1325 C C . ALA A 1 181 ? 41.836 41.482 -29.676 1.00 34.46 ? 199 ALA P C 1 ATOM 1326 O O . ALA A 1 181 ? 41.874 42.694 -29.540 1.00 38.18 ? 199 ALA P O 1 ATOM 1327 C CB . ALA A 1 181 ? 43.478 39.654 -29.565 1.00 35.30 ? 199 ALA P CB 1 ATOM 1328 N N . ARG A 1 182 ? 40.854 40.950 -30.388 1.00 32.68 ? 200 ARG P N 1 ATOM 1329 C CA . ARG A 1 182 ? 40.074 41.874 -31.220 1.00 37.11 ? 200 ARG P CA 1 ATOM 1330 C C . ARG A 1 182 ? 39.495 42.910 -30.267 1.00 49.25 ? 200 ARG P C 1 ATOM 1331 O O . ARG A 1 182 ? 39.691 44.103 -30.462 1.00 58.28 ? 200 ARG P O 1 ATOM 1332 C CB . ARG A 1 182 ? 39.045 41.135 -32.054 1.00 41.16 ? 200 ARG P CB 1 ATOM 1333 C CG . ARG A 1 182 ? 39.700 40.193 -33.019 1.00 52.57 ? 200 ARG P CG 1 ATOM 1334 C CD . ARG A 1 182 ? 38.724 39.390 -33.876 1.00 64.00 ? 200 ARG P CD 1 ATOM 1335 N NE . ARG A 1 182 ? 38.219 40.143 -34.979 1.00 73.07 ? 200 ARG P NE 1 ATOM 1336 C CZ . ARG A 1 182 ? 37.896 39.786 -36.217 1.00 78.70 ? 200 ARG P CZ 1 ATOM 1337 N NH1 . ARG A 1 182 ? 38.017 38.573 -36.746 1.00 77.98 ? 200 ARG P NH1 1 ATOM 1338 N NH2 . ARG A 1 182 ? 37.407 40.779 -36.965 1.00 78.15 ? 200 ARG P NH2 1 ATOM 1339 N N . TYR A 1 183 ? 38.876 42.457 -29.152 1.00 45.77 ? 201 TYR P N 1 ATOM 1340 C CA . TYR A 1 183 ? 38.186 43.395 -28.329 1.00 44.57 ? 201 TYR P CA 1 ATOM 1341 C C . TYR A 1 183 ? 39.150 44.383 -27.701 1.00 40.05 ? 201 TYR P C 1 ATOM 1342 O O . TYR A 1 183 ? 38.725 45.524 -27.476 1.00 30.04 ? 201 TYR P O 1 ATOM 1343 C CB . TYR A 1 183 ? 37.257 42.673 -27.353 1.00 49.23 ? 201 TYR P CB 1 ATOM 1344 C CG . TYR A 1 183 ? 36.050 41.941 -27.845 1.00 46.96 ? 201 TYR P CG 1 ATOM 1345 C CD1 . TYR A 1 183 ? 35.530 42.139 -29.103 1.00 45.51 ? 201 TYR P CD1 1 ATOM 1346 C CD2 . TYR A 1 183 ? 35.407 41.004 -27.013 1.00 46.66 ? 201 TYR P CD2 1 ATOM 1347 C CE1 . TYR A 1 183 ? 34.377 41.475 -29.530 1.00 49.17 ? 201 TYR P CE1 1 ATOM 1348 C CE2 . TYR A 1 183 ? 34.267 40.331 -27.433 1.00 47.75 ? 201 TYR P CE2 1 ATOM 1349 C CZ . TYR A 1 183 ? 33.751 40.558 -28.694 1.00 51.14 ? 201 TYR P CZ 1 ATOM 1350 O OH . TYR A 1 183 ? 32.651 39.867 -29.160 1.00 46.51 ? 201 TYR P OH 1 ATOM 1351 N N . MET A 1 184 ? 40.337 43.979 -27.264 1.00 42.30 ? 202 MET P N 1 ATOM 1352 C CA . MET A 1 184 ? 41.245 44.982 -26.624 1.00 47.36 ? 202 MET P CA 1 ATOM 1353 C C . MET A 1 184 ? 41.583 46.090 -27.610 1.00 55.03 ? 202 MET P C 1 ATOM 1354 O O . MET A 1 184 ? 41.321 47.281 -27.399 1.00 55.62 ? 202 MET P O 1 ATOM 1355 C CB . MET A 1 184 ? 42.426 44.217 -26.011 1.00 43.61 ? 202 MET P CB 1 ATOM 1356 C CG . MET A 1 184 ? 42.202 43.476 -24.668 1.00 46.43 ? 202 MET P CG 1 ATOM 1357 S SD . MET A 1 184 ? 41.266 44.511 -23.495 1.00 49.81 ? 202 MET P SD 1 ATOM 1358 C CE . MET A 1 184 ? 39.554 44.304 -24.049 1.00 40.09 ? 202 MET P CE 1 ATOM 1359 N N . ALA A 1 185 ? 41.958 45.725 -28.857 1.00 56.03 ? 203 ALA P N 1 ATOM 1360 C CA . ALA A 1 185 ? 42.336 46.635 -29.921 1.00 49.71 ? 203 ALA P CA 1 ATOM 1361 C C . ALA A 1 185 ? 41.227 47.620 -30.218 1.00 51.66 ? 203 ALA P C 1 ATOM 1362 O O . ALA A 1 185 ? 41.442 48.847 -30.145 1.00 54.03 ? 203 ALA P O 1 ATOM 1363 C CB . ALA A 1 185 ? 42.696 45.857 -31.167 1.00 47.46 ? 203 ALA P CB 1 ATOM 1364 N N . PHE A 1 186 ? 40.007 47.139 -30.380 1.00 45.28 ? 204 PHE P N 1 ATOM 1365 C CA . PHE A 1 186 ? 38.869 48.055 -30.565 1.00 38.65 ? 204 PHE P CA 1 ATOM 1366 C C . PHE A 1 186 ? 38.770 49.043 -29.409 1.00 46.52 ? 204 PHE P C 1 ATOM 1367 O O . PHE A 1 186 ? 38.429 50.213 -29.586 1.00 52.39 ? 204 PHE P O 1 ATOM 1368 C CB . PHE A 1 186 ? 37.598 47.248 -30.678 1.00 27.91 ? 204 PHE P CB 1 ATOM 1369 C CG . PHE A 1 186 ? 36.342 48.046 -30.525 1.00 33.97 ? 204 PHE P CG 1 ATOM 1370 C CD1 . PHE A 1 186 ? 35.799 48.309 -29.250 1.00 27.51 ? 204 PHE P CD1 1 ATOM 1371 C CD2 . PHE A 1 186 ? 35.644 48.473 -31.656 1.00 26.26 ? 204 PHE P CD2 1 ATOM 1372 C CE1 . PHE A 1 186 ? 34.648 49.037 -29.143 1.00 30.96 ? 204 PHE P CE1 1 ATOM 1373 C CE2 . PHE A 1 186 ? 34.419 49.169 -31.501 1.00 30.76 ? 204 PHE P CE2 1 ATOM 1374 C CZ . PHE A 1 186 ? 33.913 49.489 -30.257 1.00 32.55 ? 204 PHE P CZ 1 ATOM 1375 N N . ALA A 1 187 ? 38.984 48.638 -28.191 1.00 42.86 ? 205 ALA P N 1 ATOM 1376 C CA . ALA A 1 187 ? 38.882 49.417 -26.992 1.00 53.85 ? 205 ALA P CA 1 ATOM 1377 C C . ALA A 1 187 ? 40.018 50.435 -27.038 1.00 51.30 ? 205 ALA P C 1 ATOM 1378 O O . ALA A 1 187 ? 39.670 51.604 -26.962 1.00 53.25 ? 205 ALA P O 1 ATOM 1379 C CB . ALA A 1 187 ? 38.982 48.541 -25.708 1.00 49.74 ? 205 ALA P CB 1 ATOM 1380 N N . HIS A 1 188 ? 41.251 49.986 -27.186 1.00 54.29 ? 206 HIS P N 1 ATOM 1381 C CA . HIS A 1 188 ? 42.400 50.877 -27.334 1.00 63.51 ? 206 HIS P CA 1 ATOM 1382 C C . HIS A 1 188 ? 42.213 52.010 -28.362 1.00 62.39 ? 206 HIS P C 1 ATOM 1383 O O . HIS A 1 188 ? 42.350 53.190 -28.066 1.00 61.54 ? 206 HIS P O 1 ATOM 1384 C CB . HIS A 1 188 ? 43.664 50.145 -27.815 1.00 66.09 ? 206 HIS P CB 1 ATOM 1385 C CG . HIS A 1 188 ? 44.799 51.123 -27.815 1.00 76.16 ? 206 HIS P CG 1 ATOM 1386 N ND1 . HIS A 1 188 ? 45.165 51.856 -28.929 1.00 81.22 ? 206 HIS P ND1 1 ATOM 1387 C CD2 . HIS A 1 188 ? 45.628 51.503 -26.816 1.00 79.02 ? 206 HIS P CD2 1 ATOM 1388 C CE1 . HIS A 1 188 ? 46.182 52.643 -28.616 1.00 79.74 ? 206 HIS P CE1 1 ATOM 1389 N NE2 . HIS A 1 188 ? 46.470 52.446 -27.331 1.00 80.73 ? 206 HIS P NE2 1 ATOM 1390 N N . ASP A 1 189 ? 41.802 51.637 -29.578 1.00 59.03 ? 207 ASP P N 1 ATOM 1391 C CA . ASP A 1 189 ? 41.534 52.645 -30.570 1.00 60.09 ? 207 ASP P CA 1 ATOM 1392 C C . ASP A 1 189 ? 40.474 53.620 -30.106 1.00 59.14 ? 207 ASP P C 1 ATOM 1393 O O . ASP A 1 189 ? 40.668 54.800 -30.317 1.00 66.68 ? 207 ASP P O 1 ATOM 1394 C CB . ASP A 1 189 ? 40.969 52.121 -31.877 1.00 61.70 ? 207 ASP P CB 1 ATOM 1395 C CG . ASP A 1 189 ? 41.894 51.238 -32.689 1.00 59.16 ? 207 ASP P CG 1 ATOM 1396 O OD1 . ASP A 1 189 ? 43.070 51.046 -32.296 1.00 51.59 ? 207 ASP P OD1 1 ATOM 1397 O OD2 . ASP A 1 189 ? 41.266 50.754 -33.689 1.00 62.21 ? 207 ASP P OD2 1 ATOM 1398 N N . LEU A 1 190 ? 39.381 53.174 -29.502 1.00 57.18 ? 208 LEU P N 1 ATOM 1399 C CA . LEU A 1 190 ? 38.299 54.084 -29.135 1.00 45.03 ? 208 LEU P CA 1 ATOM 1400 C C . LEU A 1 190 ? 38.799 55.095 -28.125 1.00 49.01 ? 208 LEU P C 1 ATOM 1401 O O . LEU A 1 190 ? 38.318 56.231 -28.128 1.00 54.49 ? 208 LEU P O 1 ATOM 1402 C CB . LEU A 1 190 ? 37.079 53.366 -28.615 1.00 41.49 ? 208 LEU P CB 1 ATOM 1403 C CG . LEU A 1 190 ? 35.928 54.216 -28.066 1.00 45.30 ? 208 LEU P CG 1 ATOM 1404 C CD1 . LEU A 1 190 ? 34.851 54.491 -29.117 1.00 49.82 ? 208 LEU P CD1 1 ATOM 1405 C CD2 . LEU A 1 190 ? 35.261 53.555 -26.880 1.00 41.99 ? 208 LEU P CD2 1 ATOM 1406 N N . MET A 1 191 ? 39.704 54.651 -27.271 1.00 47.97 ? 209 MET P N 1 ATOM 1407 C CA . MET A 1 191 ? 40.155 55.539 -26.199 1.00 54.23 ? 209 MET P CA 1 ATOM 1408 C C . MET A 1 191 ? 40.962 56.669 -26.838 1.00 57.95 ? 209 MET P C 1 ATOM 1409 O O . MET A 1 191 ? 40.617 57.857 -26.860 1.00 57.66 ? 209 MET P O 1 ATOM 1410 C CB . MET A 1 191 ? 40.832 54.663 -25.137 1.00 52.12 ? 209 MET P CB 1 ATOM 1411 C CG . MET A 1 191 ? 39.890 53.754 -24.360 1.00 57.61 ? 209 MET P CG 1 ATOM 1412 S SD . MET A 1 191 ? 40.512 53.103 -22.780 1.00 58.24 ? 209 MET P SD 1 ATOM 1413 C CE . MET A 1 191 ? 41.699 51.909 -23.342 1.00 49.53 ? 209 MET P CE 1 ATOM 1414 N N . ALA A 1 192 ? 42.041 56.234 -27.484 1.00 60.40 ? 210 ALA P N 1 ATOM 1415 C CA . ALA A 1 192 ? 42.980 57.073 -28.251 1.00 55.77 ? 210 ALA P CA 1 ATOM 1416 C C . ALA A 1 192 ? 42.205 57.912 -29.240 1.00 56.25 ? 210 ALA P C 1 ATOM 1417 O O . ALA A 1 192 ? 42.078 59.138 -28.930 1.00 57.68 ? 210 ALA P O 1 ATOM 1418 C CB . ALA A 1 192 ? 44.103 56.159 -28.667 1.00 49.08 ? 210 ALA P CB 1 ATOM 1419 N N . ASP A 1 193 ? 41.410 57.517 -30.214 1.00 56.05 ? 211 ASP P N 1 ATOM 1420 C CA . ASP A 1 193 ? 40.576 58.518 -30.898 1.00 61.44 ? 211 ASP P CA 1 ATOM 1421 C C . ASP A 1 193 ? 39.959 59.524 -29.939 1.00 67.97 ? 211 ASP P C 1 ATOM 1422 O O . ASP A 1 193 ? 40.199 60.729 -30.098 1.00 77.27 ? 211 ASP P O 1 ATOM 1423 C CB . ASP A 1 193 ? 39.580 57.830 -31.843 1.00 61.14 ? 211 ASP P CB 1 ATOM 1424 C CG . ASP A 1 193 ? 40.309 56.833 -32.751 1.00 63.38 ? 211 ASP P CG 1 ATOM 1425 O OD1 . ASP A 1 193 ? 41.588 56.705 -32.684 1.00 60.10 ? 211 ASP P OD1 1 ATOM 1426 O OD2 . ASP A 1 193 ? 39.587 56.163 -33.532 1.00 56.41 ? 211 ASP P OD2 1 ATOM 1427 N N . ALA A 1 194 ? 39.257 59.266 -28.851 1.00 66.78 ? 212 ALA P N 1 ATOM 1428 C CA . ALA A 1 194 ? 38.668 60.196 -27.929 1.00 63.61 ? 212 ALA P CA 1 ATOM 1429 C C . ALA A 1 194 ? 39.698 61.175 -27.331 1.00 65.12 ? 212 ALA P C 1 ATOM 1430 O O . ALA A 1 194 ? 39.352 62.355 -27.111 1.00 60.50 ? 212 ALA P O 1 ATOM 1431 C CB . ALA A 1 194 ? 37.976 59.437 -26.785 1.00 61.37 ? 212 ALA P CB 1 ATOM 1432 N N . GLN A 1 195 ? 40.882 60.702 -26.943 1.00 54.74 ? 213 GLN P N 1 ATOM 1433 C CA . GLN A 1 195 ? 41.888 61.660 -26.515 1.00 65.65 ? 213 GLN P CA 1 ATOM 1434 C C . GLN A 1 195 ? 42.064 62.661 -27.681 1.00 72.96 ? 213 GLN P C 1 ATOM 1435 O O . GLN A 1 195 ? 41.630 63.835 -27.740 1.00 70.96 ? 213 GLN P O 1 ATOM 1436 C CB . GLN A 1 195 ? 43.164 60.907 -26.170 1.00 60.89 ? 213 GLN P CB 1 ATOM 1437 C CG . GLN A 1 195 ? 43.853 61.482 -24.984 1.00 58.69 ? 213 GLN P CG 1 ATOM 1438 C CD . GLN A 1 195 ? 45.152 60.799 -24.653 1.00 70.59 ? 213 GLN P CD 1 ATOM 1439 O OE1 . GLN A 1 195 ? 45.726 60.090 -25.485 1.00 79.49 ? 213 GLN P OE1 1 ATOM 1440 N NE2 . GLN A 1 195 ? 45.704 60.968 -23.433 1.00 73.79 ? 213 GLN P NE2 1 ATOM 1441 N N . ARG A 1 196 ? 42.610 62.130 -28.787 1.00 77.36 ? 214 ARG P N 1 ATOM 1442 C CA . ARG A 1 196 ? 42.771 62.835 -30.042 1.00 75.64 ? 214 ARG P CA 1 ATOM 1443 C C . ARG A 1 196 ? 41.746 63.957 -30.152 1.00 76.01 ? 214 ARG P C 1 ATOM 1444 O O . ARG A 1 196 ? 42.227 65.095 -30.164 1.00 82.11 ? 214 ARG P O 1 ATOM 1445 N N . GLU A 1 197 ? 40.441 63.768 -30.167 1.00 70.13 ? 215 GLU P N 1 ATOM 1446 C CA . GLU A 1 197 ? 39.443 64.803 -30.342 1.00 63.95 ? 215 GLU P CA 1 ATOM 1447 C C . GLU A 1 197 ? 39.089 65.578 -29.087 1.00 62.04 ? 215 GLU P C 1 ATOM 1448 O O . GLU A 1 197 ? 38.004 66.190 -28.997 1.00 61.95 ? 215 GLU P O 1 ATOM 1449 C CB . GLU A 1 197 ? 38.157 64.255 -31.000 1.00 60.51 ? 215 GLU P CB 1 ATOM 1450 C CG . GLU A 1 197 ? 38.312 62.978 -31.830 1.00 61.36 ? 215 GLU P CG 1 ATOM 1451 C CD . GLU A 1 197 ? 36.982 62.419 -32.328 1.00 71.05 ? 215 GLU P CD 1 ATOM 1452 O OE1 . GLU A 1 197 ? 35.894 62.954 -31.956 1.00 71.17 ? 215 GLU P OE1 1 ATOM 1453 O OE2 . GLU A 1 197 ? 36.888 61.415 -33.105 1.00 73.31 ? 215 GLU P OE2 1 ATOM 1454 N N . ASP A 1 198 ? 39.943 65.582 -28.065 1.00 58.65 ? 216 ASP P N 1 ATOM 1455 C CA . ASP A 1 198 ? 39.629 66.237 -26.802 1.00 70.83 ? 216 ASP P CA 1 ATOM 1456 C C . ASP A 1 198 ? 38.283 65.802 -26.230 1.00 76.93 ? 216 ASP P C 1 ATOM 1457 O O . ASP A 1 198 ? 37.613 66.700 -25.698 1.00 83.73 ? 216 ASP P O 1 ATOM 1458 N N . ARG A 1 199 ? 37.780 64.560 -26.321 1.00 77.92 ? 217 ARG P N 1 ATOM 1459 C CA . ARG A 1 199 ? 36.434 64.255 -25.807 1.00 71.65 ? 217 ARG P CA 1 ATOM 1460 C C . ARG A 1 199 ? 36.435 63.047 -24.882 1.00 67.65 ? 217 ARG P C 1 ATOM 1461 O O . ARG A 1 199 ? 37.292 62.168 -25.026 1.00 66.32 ? 217 ARG P O 1 ATOM 1462 C CB . ARG A 1 199 ? 35.441 64.113 -26.944 1.00 66.31 ? 217 ARG P CB 1 ATOM 1463 C CG . ARG A 1 199 ? 35.941 63.126 -27.972 1.00 68.02 ? 217 ARG P CG 1 ATOM 1464 C CD . ARG A 1 199 ? 34.956 63.034 -29.107 1.00 73.36 ? 217 ARG P CD 1 ATOM 1465 N NE . ARG A 1 199 ? 33.537 63.329 -28.854 1.00 78.40 ? 217 ARG P NE 1 ATOM 1466 C CZ . ARG A 1 199 ? 32.635 62.806 -29.717 1.00 78.19 ? 217 ARG P CZ 1 ATOM 1467 N NH1 . ARG A 1 199 ? 33.023 62.036 -30.728 1.00 76.88 ? 217 ARG P NH1 1 ATOM 1468 N NH2 . ARG A 1 199 ? 31.330 62.962 -29.646 1.00 77.68 ? 217 ARG P NH2 1 ATOM 1469 N N . PRO A 1 200 ? 35.566 63.048 -23.877 1.00 65.49 ? 218 PRO P N 1 ATOM 1470 C CA . PRO A 1 200 ? 35.480 61.906 -22.948 1.00 63.24 ? 218 PRO P CA 1 ATOM 1471 C C . PRO A 1 200 ? 34.943 60.641 -23.634 1.00 54.46 ? 218 PRO P C 1 ATOM 1472 O O . PRO A 1 200 ? 34.131 60.726 -24.618 1.00 50.44 ? 218 PRO P O 1 ATOM 1473 C CB . PRO A 1 200 ? 34.644 62.524 -21.826 1.00 66.19 ? 218 PRO P CB 1 ATOM 1474 C CG . PRO A 1 200 ? 33.667 63.423 -22.494 1.00 64.95 ? 218 PRO P CG 1 ATOM 1475 C CD . PRO A 1 200 ? 34.464 64.000 -23.650 1.00 68.45 ? 218 PRO P CD 1 ATOM 1476 N N . PHE A 1 201 ? 35.553 59.474 -23.333 1.00 37.54 ? 219 PHE P N 1 ATOM 1477 C CA . PHE A 1 201 ? 34.899 58.278 -23.976 1.00 46.43 ? 219 PHE P CA 1 ATOM 1478 C C . PHE A 1 201 ? 34.017 57.497 -22.953 1.00 48.68 ? 219 PHE P C 1 ATOM 1479 O O . PHE A 1 201 ? 34.109 57.615 -21.730 1.00 40.05 ? 219 PHE P O 1 ATOM 1480 C CB . PHE A 1 201 ? 35.874 57.301 -24.548 1.00 41.71 ? 219 PHE P CB 1 ATOM 1481 C CG . PHE A 1 201 ? 36.874 56.841 -23.544 1.00 45.21 ? 219 PHE P CG 1 ATOM 1482 C CD1 . PHE A 1 201 ? 38.016 57.558 -23.274 1.00 50.19 ? 219 PHE P CD1 1 ATOM 1483 C CD2 . PHE A 1 201 ? 36.647 55.693 -22.805 1.00 48.53 ? 219 PHE P CD2 1 ATOM 1484 C CE1 . PHE A 1 201 ? 38.955 57.148 -22.323 1.00 53.50 ? 219 PHE P CE1 1 ATOM 1485 C CE2 . PHE A 1 201 ? 37.579 55.289 -21.859 1.00 52.85 ? 219 PHE P CE2 1 ATOM 1486 C CZ . PHE A 1 201 ? 38.757 56.002 -21.594 1.00 49.73 ? 219 PHE P CZ 1 ATOM 1487 N N . PHE A 1 202 ? 33.109 56.662 -23.390 1.00 50.27 ? 220 PHE P N 1 ATOM 1488 C CA . PHE A 1 202 ? 32.284 55.731 -22.685 1.00 46.79 ? 220 PHE P CA 1 ATOM 1489 C C . PHE A 1 202 ? 32.485 54.340 -23.328 1.00 46.69 ? 220 PHE P C 1 ATOM 1490 O O . PHE A 1 202 ? 31.922 54.215 -24.425 1.00 44.97 ? 220 PHE P O 1 ATOM 1491 C CB . PHE A 1 202 ? 30.778 56.015 -22.853 1.00 49.93 ? 220 PHE P CB 1 ATOM 1492 C CG . PHE A 1 202 ? 29.905 54.944 -22.287 1.00 51.95 ? 220 PHE P CG 1 ATOM 1493 C CD1 . PHE A 1 202 ? 30.176 54.388 -21.040 1.00 56.67 ? 220 PHE P CD1 1 ATOM 1494 C CD2 . PHE A 1 202 ? 28.849 54.434 -23.011 1.00 51.37 ? 220 PHE P CD2 1 ATOM 1495 C CE1 . PHE A 1 202 ? 29.370 53.378 -20.520 1.00 49.40 ? 220 PHE P CE1 1 ATOM 1496 C CE2 . PHE A 1 202 ? 28.043 53.430 -22.502 1.00 51.43 ? 220 PHE P CE2 1 ATOM 1497 C CZ . PHE A 1 202 ? 28.281 52.928 -21.233 1.00 46.69 ? 220 PHE P CZ 1 ATOM 1498 N N . LEU A 1 203 ? 33.318 53.474 -22.769 1.00 38.88 ? 221 LEU P N 1 ATOM 1499 C CA . LEU A 1 203 ? 33.443 52.107 -23.290 1.00 36.30 ? 221 LEU P CA 1 ATOM 1500 C C . LEU A 1 203 ? 32.546 51.122 -22.506 1.00 41.45 ? 221 LEU P C 1 ATOM 1501 O O . LEU A 1 203 ? 32.546 51.004 -21.262 1.00 43.92 ? 221 LEU P O 1 ATOM 1502 C CB . LEU A 1 203 ? 34.895 51.622 -23.070 1.00 39.04 ? 221 LEU P CB 1 ATOM 1503 C CG . LEU A 1 203 ? 35.121 50.124 -23.448 1.00 33.34 ? 221 LEU P CG 1 ATOM 1504 C CD1 . LEU A 1 203 ? 34.668 49.983 -24.882 1.00 30.11 ? 221 LEU P CD1 1 ATOM 1505 C CD2 . LEU A 1 203 ? 36.568 49.772 -23.252 1.00 34.29 ? 221 LEU P CD2 1 ATOM 1506 N N . TYR A 1 204 ? 31.715 50.356 -23.133 1.00 34.93 ? 222 TYR P N 1 ATOM 1507 C CA . TYR A 1 204 ? 30.860 49.292 -22.670 1.00 34.16 ? 222 TYR P CA 1 ATOM 1508 C C . TYR A 1 204 ? 31.457 47.990 -23.184 1.00 31.45 ? 222 TYR P C 1 ATOM 1509 O O . TYR A 1 204 ? 31.456 47.609 -24.351 1.00 34.32 ? 222 TYR P O 1 ATOM 1510 C CB . TYR A 1 204 ? 29.426 49.404 -23.182 1.00 31.76 ? 222 TYR P CB 1 ATOM 1511 C CG . TYR A 1 204 ? 28.474 48.362 -22.669 1.00 32.37 ? 222 TYR P CG 1 ATOM 1512 C CD1 . TYR A 1 204 ? 28.569 47.841 -21.383 1.00 37.85 ? 222 TYR P CD1 1 ATOM 1513 C CD2 . TYR A 1 204 ? 27.489 47.852 -23.495 1.00 32.05 ? 222 TYR P CD2 1 ATOM 1514 C CE1 . TYR A 1 204 ? 27.687 46.876 -20.860 1.00 26.07 ? 222 TYR P CE1 1 ATOM 1515 C CE2 . TYR A 1 204 ? 26.610 46.863 -23.044 1.00 43.30 ? 222 TYR P CE2 1 ATOM 1516 C CZ . TYR A 1 204 ? 26.742 46.404 -21.709 1.00 39.26 ? 222 TYR P CZ 1 ATOM 1517 O OH . TYR A 1 204 ? 25.847 45.472 -21.344 1.00 35.92 ? 222 TYR P OH 1 ATOM 1518 N N . TYR A 1 205 ? 32.218 47.345 -22.347 1.00 32.65 ? 223 TYR P N 1 ATOM 1519 C CA . TYR A 1 205 ? 32.842 46.052 -22.572 1.00 36.15 ? 223 TYR P CA 1 ATOM 1520 C C . TYR A 1 205 ? 31.980 44.927 -21.951 1.00 41.46 ? 223 TYR P C 1 ATOM 1521 O O . TYR A 1 205 ? 31.966 44.700 -20.740 1.00 47.59 ? 223 TYR P O 1 ATOM 1522 C CB . TYR A 1 205 ? 34.206 46.210 -21.823 1.00 34.24 ? 223 TYR P CB 1 ATOM 1523 C CG . TYR A 1 205 ? 34.938 44.920 -22.019 1.00 45.19 ? 223 TYR P CG 1 ATOM 1524 C CD1 . TYR A 1 205 ? 34.850 44.227 -23.220 1.00 47.77 ? 223 TYR P CD1 1 ATOM 1525 C CD2 . TYR A 1 205 ? 35.662 44.346 -20.996 1.00 54.51 ? 223 TYR P CD2 1 ATOM 1526 C CE1 . TYR A 1 205 ? 35.466 43.010 -23.403 1.00 50.80 ? 223 TYR P CE1 1 ATOM 1527 C CE2 . TYR A 1 205 ? 36.316 43.124 -21.168 1.00 57.90 ? 223 TYR P CE2 1 ATOM 1528 C CZ . TYR A 1 205 ? 36.204 42.472 -22.374 1.00 55.19 ? 223 TYR P CZ 1 ATOM 1529 O OH . TYR A 1 205 ? 36.837 41.273 -22.541 1.00 64.54 ? 223 TYR P OH 1 ATOM 1530 N N . ALA A 1 206 ? 31.056 44.288 -22.639 1.00 32.72 ? 224 ALA P N 1 ATOM 1531 C CA . ALA A 1 206 ? 30.203 43.200 -22.213 1.00 26.71 ? 224 ALA P CA 1 ATOM 1532 C C . ALA A 1 206 ? 30.814 41.843 -22.531 1.00 21.11 ? 224 ALA P C 1 ATOM 1533 O O . ALA A 1 206 ? 30.679 41.275 -23.620 1.00 24.34 ? 224 ALA P O 1 ATOM 1534 C CB . ALA A 1 206 ? 28.837 43.326 -22.931 1.00 18.48 ? 224 ALA P CB 1 ATOM 1535 N N . SER A 1 207 ? 31.703 41.377 -21.671 1.00 29.19 ? 225 SER P N 1 ATOM 1536 C CA . SER A 1 207 ? 32.421 40.103 -22.061 1.00 21.79 ? 225 SER P CA 1 ATOM 1537 C C . SER A 1 207 ? 31.540 38.917 -22.227 1.00 28.09 ? 225 SER P C 1 ATOM 1538 O O . SER A 1 207 ? 30.374 38.917 -21.783 1.00 30.47 ? 225 SER P O 1 ATOM 1539 C CB . SER A 1 207 ? 33.494 39.933 -20.995 1.00 17.56 ? 225 SER P CB 1 ATOM 1540 O OG . SER A 1 207 ? 34.128 38.730 -21.254 1.00 33.28 ? 225 SER P OG 1 ATOM 1541 N N . HIS A 1 208 ? 32.046 37.913 -22.920 1.00 29.24 ? 226 HIS P N 1 ATOM 1542 C CA . HIS A 1 208 ? 31.392 36.665 -23.194 1.00 27.18 ? 226 HIS P CA 1 ATOM 1543 C C . HIS A 1 208 ? 31.756 35.705 -22.030 1.00 31.78 ? 226 HIS P C 1 ATOM 1544 O O . HIS A 1 208 ? 31.095 34.684 -21.776 1.00 28.32 ? 226 HIS P O 1 ATOM 1545 C CB . HIS A 1 208 ? 31.740 35.964 -24.526 1.00 25.47 ? 226 HIS P CB 1 ATOM 1546 C CG . HIS A 1 208 ? 31.241 36.872 -25.623 1.00 32.63 ? 226 HIS P CG 1 ATOM 1547 N ND1 . HIS A 1 208 ? 32.073 37.644 -26.466 1.00 27.34 ? 226 HIS P ND1 1 ATOM 1548 C CD2 . HIS A 1 208 ? 29.955 37.105 -25.947 1.00 26.94 ? 226 HIS P CD2 1 ATOM 1549 C CE1 . HIS A 1 208 ? 31.241 38.272 -27.268 1.00 31.97 ? 226 HIS P CE1 1 ATOM 1550 N NE2 . HIS A 1 208 ? 29.963 38.050 -27.007 1.00 32.99 ? 226 HIS P NE2 1 ATOM 1551 N N . HIS A 1 209 ? 32.885 35.949 -21.376 1.00 24.73 ? 227 HIS P N 1 ATOM 1552 C CA . HIS A 1 209 ? 33.145 35.182 -20.187 1.00 34.63 ? 227 HIS P CA 1 ATOM 1553 C C . HIS A 1 209 ? 32.214 35.605 -19.024 1.00 33.92 ? 227 HIS P C 1 ATOM 1554 O O . HIS A 1 209 ? 31.994 36.807 -18.875 1.00 33.37 ? 227 HIS P O 1 ATOM 1555 C CB . HIS A 1 209 ? 34.529 35.646 -19.760 1.00 34.91 ? 227 HIS P CB 1 ATOM 1556 C CG . HIS A 1 209 ? 35.487 35.241 -20.814 1.00 42.71 ? 227 HIS P CG 1 ATOM 1557 N ND1 . HIS A 1 209 ? 35.417 34.083 -21.551 1.00 40.47 ? 227 HIS P ND1 1 ATOM 1558 C CD2 . HIS A 1 209 ? 36.623 35.891 -21.185 1.00 39.18 ? 227 HIS P CD2 1 ATOM 1559 C CE1 . HIS A 1 209 ? 36.488 34.055 -22.330 1.00 33.87 ? 227 HIS P CE1 1 ATOM 1560 N NE2 . HIS A 1 209 ? 37.260 35.121 -22.064 1.00 27.61 ? 227 HIS P NE2 1 ATOM 1561 N N . THR A 1 210 ? 31.798 34.707 -18.141 1.00 33.33 ? 228 THR P N 1 ATOM 1562 C CA . THR A 1 210 ? 32.114 33.295 -18.198 1.00 30.00 ? 228 THR P CA 1 ATOM 1563 C C . THR A 1 210 ? 30.937 32.425 -18.590 1.00 28.95 ? 228 THR P C 1 ATOM 1564 O O . THR A 1 210 ? 30.513 31.394 -18.057 1.00 26.36 ? 228 THR P O 1 ATOM 1565 C CB . THR A 1 210 ? 32.586 32.936 -16.766 1.00 31.61 ? 228 THR P CB 1 ATOM 1566 O OG1 . THR A 1 210 ? 31.578 33.416 -15.858 1.00 30.84 ? 228 THR P OG1 1 ATOM 1567 C CG2 . THR A 1 210 ? 33.921 33.560 -16.413 1.00 21.05 ? 228 THR P CG2 1 ATOM 1568 N N . HIS A 1 211 ? 30.257 32.871 -19.653 1.00 22.08 ? 229 HIS P N 1 ATOM 1569 C CA . HIS A 1 211 ? 29.125 32.121 -20.167 1.00 14.40 ? 229 HIS P CA 1 ATOM 1570 C C . HIS A 1 211 ? 29.633 30.871 -20.833 1.00 25.60 ? 229 HIS P C 1 ATOM 1571 O O . HIS A 1 211 ? 30.776 30.772 -21.269 1.00 29.09 ? 229 HIS P O 1 ATOM 1572 C CB . HIS A 1 211 ? 28.380 33.036 -21.108 1.00 12.59 ? 229 HIS P CB 1 ATOM 1573 C CG . HIS A 1 211 ? 27.000 32.533 -21.402 1.00 20.50 ? 229 HIS P CG 1 ATOM 1574 N ND1 . HIS A 1 211 ? 26.872 31.323 -22.080 1.00 28.73 ? 229 HIS P ND1 1 ATOM 1575 C CD2 . HIS A 1 211 ? 25.776 32.960 -21.146 1.00 17.55 ? 229 HIS P CD2 1 ATOM 1576 C CE1 . HIS A 1 211 ? 25.535 31.080 -22.245 1.00 27.94 ? 229 HIS P CE1 1 ATOM 1577 N NE2 . HIS A 1 211 ? 24.850 32.038 -21.683 1.00 21.75 ? 229 HIS P NE2 1 ATOM 1578 N N . TYR A 1 212 ? 28.861 29.821 -20.879 1.00 32.10 ? 230 TYR P N 1 ATOM 1579 C CA . TYR A 1 212 ? 29.095 28.564 -21.610 1.00 29.45 ? 230 TYR P CA 1 ATOM 1580 C C . TYR A 1 212 ? 28.975 28.860 -23.089 1.00 25.79 ? 230 TYR P C 1 ATOM 1581 O O . TYR A 1 212 ? 28.108 29.669 -23.563 1.00 30.51 ? 230 TYR P O 1 ATOM 1582 C CB . TYR A 1 212 ? 27.936 27.583 -21.221 1.00 23.67 ? 230 TYR P CB 1 ATOM 1583 C CG . TYR A 1 212 ? 27.708 26.576 -22.307 1.00 22.52 ? 230 TYR P CG 1 ATOM 1584 C CD1 . TYR A 1 212 ? 28.485 25.426 -22.212 1.00 25.78 ? 230 TYR P CD1 1 ATOM 1585 C CD2 . TYR A 1 212 ? 26.743 26.640 -23.315 1.00 26.93 ? 230 TYR P CD2 1 ATOM 1586 C CE1 . TYR A 1 212 ? 28.349 24.406 -23.163 1.00 22.52 ? 230 TYR P CE1 1 ATOM 1587 C CE2 . TYR A 1 212 ? 26.639 25.618 -24.276 1.00 27.33 ? 230 TYR P CE2 1 ATOM 1588 C CZ . TYR A 1 212 ? 27.476 24.540 -24.226 1.00 29.59 ? 230 TYR P CZ 1 ATOM 1589 O OH . TYR A 1 212 ? 27.484 23.464 -25.161 1.00 33.78 ? 230 TYR P OH 1 ATOM 1590 N N . PRO A 1 213 ? 29.851 28.293 -23.896 1.00 30.95 ? 231 PRO P N 1 ATOM 1591 C CA . PRO A 1 213 ? 30.923 27.432 -23.519 1.00 34.06 ? 231 PRO P CA 1 ATOM 1592 C C . PRO A 1 213 ? 32.133 28.255 -23.168 1.00 32.98 ? 231 PRO P C 1 ATOM 1593 O O . PRO A 1 213 ? 32.339 29.347 -23.656 1.00 31.50 ? 231 PRO P O 1 ATOM 1594 C CB . PRO A 1 213 ? 31.349 26.598 -24.757 1.00 29.63 ? 231 PRO P CB 1 ATOM 1595 C CG . PRO A 1 213 ? 30.575 27.199 -25.853 1.00 34.09 ? 231 PRO P CG 1 ATOM 1596 C CD . PRO A 1 213 ? 29.805 28.364 -25.399 1.00 36.33 ? 231 PRO P CD 1 ATOM 1597 N N . GLN A 1 214 ? 32.928 27.569 -22.338 1.00 30.39 ? 232 GLN P N 1 ATOM 1598 C CA . GLN A 1 214 ? 34.121 28.342 -21.975 1.00 30.01 ? 232 GLN P CA 1 ATOM 1599 C C . GLN A 1 214 ? 35.125 28.341 -23.103 1.00 33.86 ? 232 GLN P C 1 ATOM 1600 O O . GLN A 1 214 ? 35.372 27.299 -23.700 1.00 30.42 ? 232 GLN P O 1 ATOM 1601 C CB . GLN A 1 214 ? 34.652 27.794 -20.673 1.00 31.09 ? 232 GLN P CB 1 ATOM 1602 C CG . GLN A 1 214 ? 33.652 27.685 -19.520 1.00 29.81 ? 232 GLN P CG 1 ATOM 1603 C CD . GLN A 1 214 ? 33.210 29.041 -19.085 1.00 25.19 ? 232 GLN P CD 1 ATOM 1604 O OE1 . GLN A 1 214 ? 33.908 30.056 -19.119 1.00 32.85 ? 232 GLN P OE1 1 ATOM 1605 N NE2 . GLN A 1 214 ? 31.923 29.091 -18.726 1.00 24.45 ? 232 GLN P NE2 1 ATOM 1606 N N . PHE A 1 215 ? 35.884 29.412 -23.259 1.00 34.80 ? 233 PHE P N 1 ATOM 1607 C CA . PHE A 1 215 ? 36.941 29.573 -24.188 1.00 31.24 ? 233 PHE P CA 1 ATOM 1608 C C . PHE A 1 215 ? 37.975 30.573 -23.659 1.00 39.43 ? 233 PHE P C 1 ATOM 1609 O O . PHE A 1 215 ? 37.630 31.340 -22.758 1.00 39.60 ? 233 PHE P O 1 ATOM 1610 C CB . PHE A 1 215 ? 36.420 30.104 -25.522 1.00 29.55 ? 233 PHE P CB 1 ATOM 1611 C CG . PHE A 1 215 ? 35.892 31.499 -25.546 1.00 37.75 ? 233 PHE P CG 1 ATOM 1612 C CD1 . PHE A 1 215 ? 34.547 31.743 -25.174 1.00 31.61 ? 233 PHE P CD1 1 ATOM 1613 C CD2 . PHE A 1 215 ? 36.733 32.575 -25.867 1.00 31.46 ? 233 PHE P CD2 1 ATOM 1614 C CE1 . PHE A 1 215 ? 34.084 33.042 -25.111 1.00 30.62 ? 233 PHE P CE1 1 ATOM 1615 C CE2 . PHE A 1 215 ? 36.180 33.855 -25.886 1.00 27.17 ? 233 PHE P CE2 1 ATOM 1616 C CZ . PHE A 1 215 ? 34.865 34.098 -25.537 1.00 33.05 ? 233 PHE P CZ 1 ATOM 1617 N N . SER A 1 216 ? 39.196 30.494 -24.210 1.00 39.23 ? 234 SER P N 1 ATOM 1618 C CA . SER A 1 216 ? 40.164 31.553 -24.041 1.00 35.27 ? 234 SER P CA 1 ATOM 1619 C C . SER A 1 216 ? 41.266 31.448 -25.130 1.00 44.40 ? 234 SER P C 1 ATOM 1620 O O . SER A 1 216 ? 41.246 30.530 -25.928 1.00 33.18 ? 234 SER P O 1 ATOM 1621 C CB . SER A 1 216 ? 40.820 31.645 -22.719 1.00 27.75 ? 234 SER P CB 1 ATOM 1622 O OG . SER A 1 216 ? 41.723 30.568 -22.546 1.00 28.52 ? 234 SER P OG 1 ATOM 1623 N N . GLY A 1 217 ? 42.177 32.413 -25.193 1.00 46.80 ? 235 GLY P N 1 ATOM 1624 C CA . GLY A 1 217 ? 43.268 32.444 -26.132 1.00 43.06 ? 235 GLY P CA 1 ATOM 1625 C C . GLY A 1 217 ? 44.324 31.583 -25.478 1.00 50.19 ? 235 GLY P C 1 ATOM 1626 O O . GLY A 1 217 ? 44.170 31.250 -24.312 1.00 55.03 ? 235 GLY P O 1 ATOM 1627 N N . GLN A 1 218 ? 45.388 31.235 -26.123 1.00 56.49 ? 236 GLN P N 1 ATOM 1628 C CA . GLN A 1 218 ? 46.461 30.351 -25.713 1.00 54.75 ? 236 GLN P CA 1 ATOM 1629 C C . GLN A 1 218 ? 47.245 30.764 -24.512 1.00 54.94 ? 236 GLN P C 1 ATOM 1630 O O . GLN A 1 218 ? 47.813 29.913 -23.788 1.00 61.55 ? 236 GLN P O 1 ATOM 1631 C CB . GLN A 1 218 ? 47.411 30.356 -26.918 1.00 62.70 ? 236 GLN P CB 1 ATOM 1632 C CG . GLN A 1 218 ? 48.853 29.970 -26.684 1.00 73.49 ? 236 GLN P CG 1 ATOM 1633 C CD . GLN A 1 218 ? 49.090 28.638 -27.399 1.00 81.03 ? 236 GLN P CD 1 ATOM 1634 O OE1 . GLN A 1 218 ? 49.846 28.670 -28.381 1.00 90.03 ? 236 GLN P OE1 1 ATOM 1635 N NE2 . GLN A 1 218 ? 48.426 27.581 -26.951 1.00 77.33 ? 236 GLN P NE2 1 ATOM 1636 N N . SER A 1 219 ? 47.316 32.060 -24.239 1.00 50.68 ? 237 SER P N 1 ATOM 1637 C CA . SER A 1 219 ? 48.074 32.468 -23.041 1.00 48.21 ? 237 SER P CA 1 ATOM 1638 C C . SER A 1 219 ? 47.301 32.107 -21.792 1.00 48.31 ? 237 SER P C 1 ATOM 1639 O O . SER A 1 219 ? 47.894 32.231 -20.713 1.00 38.25 ? 237 SER P O 1 ATOM 1640 C CB . SER A 1 219 ? 48.428 33.959 -23.105 1.00 48.76 ? 237 SER P CB 1 ATOM 1641 O OG . SER A 1 219 ? 47.593 34.566 -24.084 1.00 65.84 ? 237 SER P OG 1 ATOM 1642 N N . PHE A 1 220 ? 46.007 31.679 -21.838 1.00 41.99 ? 238 PHE P N 1 ATOM 1643 C CA . PHE A 1 220 ? 45.301 31.363 -20.630 1.00 45.62 ? 238 PHE P CA 1 ATOM 1644 C C . PHE A 1 220 ? 44.910 29.892 -20.565 1.00 46.75 ? 238 PHE P C 1 ATOM 1645 O O . PHE A 1 220 ? 44.690 29.360 -19.474 1.00 45.99 ? 238 PHE P O 1 ATOM 1646 C CB . PHE A 1 220 ? 44.031 32.207 -20.474 1.00 36.34 ? 238 PHE P CB 1 ATOM 1647 C CG . PHE A 1 220 ? 44.442 33.642 -20.590 1.00 40.88 ? 238 PHE P CG 1 ATOM 1648 C CD1 . PHE A 1 220 ? 45.267 34.188 -19.618 1.00 40.91 ? 238 PHE P CD1 1 ATOM 1649 C CD2 . PHE A 1 220 ? 44.140 34.380 -21.732 1.00 40.63 ? 238 PHE P CD2 1 ATOM 1650 C CE1 . PHE A 1 220 ? 45.727 35.485 -19.705 1.00 36.55 ? 238 PHE P CE1 1 ATOM 1651 C CE2 . PHE A 1 220 ? 44.570 35.694 -21.847 1.00 38.60 ? 238 PHE P CE2 1 ATOM 1652 C CZ . PHE A 1 220 ? 45.377 36.230 -20.838 1.00 42.44 ? 238 PHE P CZ 1 ATOM 1653 N N . ALA A 1 221 ? 44.910 29.284 -21.734 1.00 40.56 ? 239 ALA P N 1 ATOM 1654 C CA . ALA A 1 221 ? 44.403 27.908 -21.786 1.00 43.41 ? 239 ALA P CA 1 ATOM 1655 C C . ALA A 1 221 ? 45.171 27.092 -20.778 1.00 48.65 ? 239 ALA P C 1 ATOM 1656 O O . ALA A 1 221 ? 46.380 27.192 -20.983 1.00 54.72 ? 239 ALA P O 1 ATOM 1657 C CB . ALA A 1 221 ? 44.566 27.294 -23.144 1.00 39.53 ? 239 ALA P CB 1 ATOM 1658 N N . GLU A 1 222 ? 44.562 26.408 -19.838 1.00 43.77 ? 240 GLU P N 1 ATOM 1659 C CA . GLU A 1 222 ? 45.261 25.551 -18.937 1.00 42.53 ? 240 GLU P CA 1 ATOM 1660 C C . GLU A 1 222 ? 46.251 26.201 -17.997 1.00 43.51 ? 240 GLU P C 1 ATOM 1661 O O . GLU A 1 222 ? 47.071 25.467 -17.401 1.00 39.68 ? 240 GLU P O 1 ATOM 1662 C CB . GLU A 1 222 ? 46.018 24.443 -19.656 1.00 50.24 ? 240 GLU P CB 1 ATOM 1663 C CG . GLU A 1 222 ? 45.516 23.099 -19.207 1.00 70.00 ? 240 GLU P CG 1 ATOM 1664 C CD . GLU A 1 222 ? 45.083 22.253 -20.402 1.00 77.43 ? 240 GLU P CD 1 ATOM 1665 O OE1 . GLU A 1 222 ? 45.727 22.263 -21.463 1.00 76.19 ? 240 GLU P OE1 1 ATOM 1666 O OE2 . GLU A 1 222 ? 44.059 21.548 -20.192 1.00 84.89 ? 240 GLU P OE2 1 ATOM 1667 N N . ARG A 1 223 ? 46.029 27.447 -17.617 1.00 45.94 ? 241 ARG P N 1 ATOM 1668 C CA . ARG A 1 223 ? 46.947 28.127 -16.713 1.00 48.44 ? 241 ARG P CA 1 ATOM 1669 C C . ARG A 1 223 ? 46.299 28.685 -15.491 1.00 46.91 ? 241 ARG P C 1 ATOM 1670 O O . ARG A 1 223 ? 47.052 29.179 -14.626 1.00 53.94 ? 241 ARG P O 1 ATOM 1671 C CB . ARG A 1 223 ? 47.524 29.376 -17.498 1.00 53.97 ? 241 ARG P CB 1 ATOM 1672 N N . SER A 1 224 ? 44.976 28.877 -15.475 1.00 43.31 ? 242 SER P N 1 ATOM 1673 C CA . SER A 1 224 ? 44.332 29.382 -14.237 1.00 39.08 ? 242 SER P CA 1 ATOM 1674 C C . SER A 1 224 ? 44.327 28.119 -13.380 1.00 45.72 ? 242 SER P C 1 ATOM 1675 O O . SER A 1 224 ? 44.212 27.109 -14.152 1.00 63.35 ? 242 SER P O 1 ATOM 1676 C CB . SER A 1 224 ? 42.909 29.800 -14.493 1.00 35.22 ? 242 SER P CB 1 ATOM 1677 O OG . SER A 1 224 ? 42.199 28.589 -14.820 1.00 32.76 ? 242 SER P OG 1 ATOM 1678 N N . GLY A 1 225 ? 44.453 27.953 -12.064 1.00 35.66 ? 243 GLY P N 1 ATOM 1679 C CA . GLY A 1 225 ? 44.425 26.441 -11.835 1.00 26.38 ? 243 GLY P CA 1 ATOM 1680 C C . GLY A 1 225 ? 43.006 25.990 -11.470 1.00 33.85 ? 243 GLY P C 1 ATOM 1681 O O . GLY A 1 225 ? 42.785 25.423 -10.379 1.00 40.15 ? 243 GLY P O 1 ATOM 1682 N N . ARG A 1 226 ? 41.950 26.284 -12.169 1.00 31.92 ? 244 ARG P N 1 ATOM 1683 C CA . ARG A 1 226 ? 40.574 25.957 -11.900 1.00 32.10 ? 244 ARG P CA 1 ATOM 1684 C C . ARG A 1 226 ? 39.909 25.391 -13.156 1.00 35.75 ? 244 ARG P C 1 ATOM 1685 O O . ARG A 1 226 ? 38.683 25.506 -13.321 1.00 39.18 ? 244 ARG P O 1 ATOM 1686 C CB . ARG A 1 226 ? 39.898 27.268 -11.431 1.00 26.21 ? 244 ARG P CB 1 ATOM 1687 C CG . ARG A 1 226 ? 38.610 27.078 -10.637 1.00 23.77 ? 244 ARG P CG 1 ATOM 1688 C CD . ARG A 1 226 ? 37.737 28.326 -10.593 1.00 20.77 ? 244 ARG P CD 1 ATOM 1689 N NE . ARG A 1 226 ? 36.307 27.986 -10.542 1.00 19.65 ? 244 ARG P NE 1 ATOM 1690 C CZ . ARG A 1 226 ? 35.504 28.964 -10.197 1.00 26.77 ? 244 ARG P CZ 1 ATOM 1691 N NH1 . ARG A 1 226 ? 35.694 30.235 -9.796 1.00 30.68 ? 244 ARG P NH1 1 ATOM 1692 N NH2 . ARG A 1 226 ? 34.200 28.809 -10.196 1.00 19.62 ? 244 ARG P NH2 1 ATOM 1693 N N . GLY A 1 227 ? 40.671 24.955 -14.164 1.00 27.11 ? 245 GLY P N 1 ATOM 1694 C CA . GLY A 1 227 ? 40.065 24.361 -15.355 1.00 23.10 ? 245 GLY P CA 1 ATOM 1695 C C . GLY A 1 227 ? 39.580 25.402 -16.308 1.00 25.91 ? 245 GLY P C 1 ATOM 1696 O O . GLY A 1 227 ? 39.797 26.614 -16.155 1.00 29.57 ? 245 GLY P O 1 ATOM 1697 N N . PRO A 1 228 ? 38.769 24.975 -17.280 1.00 24.05 ? 246 PRO P N 1 ATOM 1698 C CA . PRO A 1 228 ? 38.226 25.837 -18.281 1.00 22.56 ? 246 PRO P CA 1 ATOM 1699 C C . PRO A 1 228 ? 37.476 26.997 -17.714 1.00 31.20 ? 246 PRO P C 1 ATOM 1700 O O . PRO A 1 228 ? 37.580 28.070 -18.310 1.00 27.20 ? 246 PRO P O 1 ATOM 1701 C CB . PRO A 1 228 ? 37.265 25.009 -19.141 1.00 17.02 ? 246 PRO P CB 1 ATOM 1702 C CG . PRO A 1 228 ? 37.633 23.574 -18.845 1.00 21.37 ? 246 PRO P CG 1 ATOM 1703 C CD . PRO A 1 228 ? 38.304 23.575 -17.453 1.00 25.76 ? 246 PRO P CD 1 ATOM 1704 N N . PHE A 1 229 ? 36.704 26.836 -16.604 1.00 26.46 ? 247 PHE P N 1 ATOM 1705 C CA . PHE A 1 229 ? 35.930 28.056 -16.228 1.00 23.26 ? 247 PHE P CA 1 ATOM 1706 C C . PHE A 1 229 ? 36.907 29.095 -15.798 1.00 25.20 ? 247 PHE P C 1 ATOM 1707 O O . PHE A 1 229 ? 36.746 30.314 -15.778 1.00 25.84 ? 247 PHE P O 1 ATOM 1708 C CB . PHE A 1 229 ? 35.069 27.575 -14.977 1.00 19.68 ? 247 PHE P CB 1 ATOM 1709 C CG . PHE A 1 229 ? 34.263 28.774 -14.526 1.00 12.92 ? 247 PHE P CG 1 ATOM 1710 C CD1 . PHE A 1 229 ? 33.040 29.052 -15.017 1.00 7.82 ? 247 PHE P CD1 1 ATOM 1711 C CD2 . PHE A 1 229 ? 34.831 29.619 -13.577 1.00 12.42 ? 247 PHE P CD2 1 ATOM 1712 C CE1 . PHE A 1 229 ? 32.367 30.185 -14.583 1.00 18.18 ? 247 PHE P CE1 1 ATOM 1713 C CE2 . PHE A 1 229 ? 34.132 30.741 -13.124 1.00 20.05 ? 247 PHE P CE2 1 ATOM 1714 C CZ . PHE A 1 229 ? 32.900 31.029 -13.656 1.00 20.74 ? 247 PHE P CZ 1 ATOM 1715 N N . GLY A 1 230 ? 38.044 28.559 -15.178 1.00 22.55 ? 248 GLY P N 1 ATOM 1716 C CA . GLY A 1 230 ? 39.009 29.558 -14.661 1.00 27.10 ? 248 GLY P CA 1 ATOM 1717 C C . GLY A 1 230 ? 39.839 30.173 -15.790 1.00 34.11 ? 248 GLY P C 1 ATOM 1718 O O . GLY A 1 230 ? 40.429 31.251 -15.632 1.00 33.57 ? 248 GLY P O 1 ATOM 1719 N N . ASP A 1 231 ? 40.212 29.358 -16.772 1.00 31.37 ? 249 ASP P N 1 ATOM 1720 C CA . ASP A 1 231 ? 41.070 29.875 -17.854 1.00 32.77 ? 249 ASP P CA 1 ATOM 1721 C C . ASP A 1 231 ? 40.289 31.029 -18.439 1.00 34.21 ? 249 ASP P C 1 ATOM 1722 O O . ASP A 1 231 ? 40.751 32.147 -18.634 1.00 33.23 ? 249 ASP P O 1 ATOM 1723 C CB . ASP A 1 231 ? 41.111 28.789 -18.967 1.00 29.17 ? 249 ASP P CB 1 ATOM 1724 C CG . ASP A 1 231 ? 42.012 27.746 -18.350 1.00 28.90 ? 249 ASP P CG 1 ATOM 1725 O OD1 . ASP A 1 231 ? 42.670 27.937 -17.270 1.00 32.21 ? 249 ASP P OD1 1 ATOM 1726 O OD2 . ASP A 1 231 ? 41.977 26.694 -18.965 1.00 34.93 ? 249 ASP P OD2 1 ATOM 1727 N N . SER A 1 232 ? 39.000 30.703 -18.657 1.00 26.84 ? 250 SER P N 1 ATOM 1728 C CA . SER A 1 232 ? 38.147 31.776 -19.143 1.00 24.04 ? 250 SER P CA 1 ATOM 1729 C C . SER A 1 232 ? 38.050 32.945 -18.206 1.00 31.10 ? 250 SER P C 1 ATOM 1730 O O . SER A 1 232 ? 37.822 34.074 -18.686 1.00 32.18 ? 250 SER P O 1 ATOM 1731 C CB . SER A 1 232 ? 36.844 31.103 -19.521 1.00 26.48 ? 250 SER P CB 1 ATOM 1732 O OG . SER A 1 232 ? 35.873 32.102 -19.599 1.00 35.28 ? 250 SER P OG 1 ATOM 1733 N N . LEU A 1 233 ? 38.184 32.830 -16.876 1.00 34.02 ? 251 LEU P N 1 ATOM 1734 C CA . LEU A 1 233 ? 37.906 34.014 -16.044 1.00 28.03 ? 251 LEU P CA 1 ATOM 1735 C C . LEU A 1 233 ? 39.201 34.803 -15.988 1.00 32.29 ? 251 LEU P C 1 ATOM 1736 O O . LEU A 1 233 ? 39.184 36.067 -15.951 1.00 28.47 ? 251 LEU P O 1 ATOM 1737 C CB . LEU A 1 233 ? 37.363 33.675 -14.679 1.00 34.41 ? 251 LEU P CB 1 ATOM 1738 C CG . LEU A 1 233 ? 37.391 34.527 -13.416 1.00 30.59 ? 251 LEU P CG 1 ATOM 1739 C CD1 . LEU A 1 233 ? 36.335 35.665 -13.541 1.00 28.13 ? 251 LEU P CD1 1 ATOM 1740 C CD2 . LEU A 1 233 ? 37.025 33.744 -12.187 1.00 29.22 ? 251 LEU P CD2 1 ATOM 1741 N N . MET A 1 234 ? 40.330 34.112 -15.969 1.00 24.72 ? 252 MET P N 1 ATOM 1742 C CA . MET A 1 234 ? 41.721 34.603 -16.018 1.00 31.37 ? 252 MET P CA 1 ATOM 1743 C C . MET A 1 234 ? 41.869 35.462 -17.296 1.00 36.77 ? 252 MET P C 1 ATOM 1744 O O . MET A 1 234 ? 42.375 36.603 -17.254 1.00 42.19 ? 252 MET P O 1 ATOM 1745 C CB . MET A 1 234 ? 42.781 33.458 -16.008 1.00 27.18 ? 252 MET P CB 1 ATOM 1746 C CG . MET A 1 234 ? 44.197 33.842 -15.899 1.00 37.35 ? 252 MET P CG 1 ATOM 1747 S SD . MET A 1 234 ? 45.498 32.573 -15.657 1.00 43.66 ? 252 MET P SD 1 ATOM 1748 C CE . MET A 1 234 ? 44.879 31.500 -16.970 1.00 57.74 ? 252 MET P CE 1 ATOM 1749 N N . GLU A 1 235 ? 41.259 35.026 -18.410 1.00 32.13 ? 253 GLU P N 1 ATOM 1750 C CA . GLU A 1 235 ? 41.289 35.880 -19.581 1.00 32.09 ? 253 GLU P CA 1 ATOM 1751 C C . GLU A 1 235 ? 40.502 37.142 -19.386 1.00 36.52 ? 253 GLU P C 1 ATOM 1752 O O . GLU A 1 235 ? 40.981 38.193 -19.763 1.00 38.78 ? 253 GLU P O 1 ATOM 1753 C CB . GLU A 1 235 ? 40.820 35.138 -20.843 1.00 34.34 ? 253 GLU P CB 1 ATOM 1754 C CG . GLU A 1 235 ? 41.014 35.988 -22.112 1.00 38.86 ? 253 GLU P CG 1 ATOM 1755 C CD . GLU A 1 235 ? 40.780 35.157 -23.360 1.00 40.50 ? 253 GLU P CD 1 ATOM 1756 O OE1 . GLU A 1 235 ? 41.793 34.543 -23.773 1.00 39.67 ? 253 GLU P OE1 1 ATOM 1757 O OE2 . GLU A 1 235 ? 39.638 35.173 -23.872 1.00 38.07 ? 253 GLU P OE2 1 ATOM 1758 N N . LEU A 1 236 ? 39.292 37.119 -18.743 1.00 40.11 ? 254 LEU P N 1 ATOM 1759 C CA . LEU A 1 236 ? 38.522 38.333 -18.549 1.00 31.58 ? 254 LEU P CA 1 ATOM 1760 C C . LEU A 1 236 ? 39.316 39.300 -17.664 1.00 36.55 ? 254 LEU P C 1 ATOM 1761 O O . LEU A 1 236 ? 39.223 40.511 -17.730 1.00 43.85 ? 254 LEU P O 1 ATOM 1762 C CB . LEU A 1 236 ? 37.304 38.054 -17.683 1.00 37.85 ? 254 LEU P CB 1 ATOM 1763 C CG . LEU A 1 236 ? 36.063 38.887 -17.800 1.00 39.84 ? 254 LEU P CG 1 ATOM 1764 C CD1 . LEU A 1 236 ? 35.216 38.893 -16.537 1.00 30.43 ? 254 LEU P CD1 1 ATOM 1765 C CD2 . LEU A 1 236 ? 36.298 40.281 -18.369 1.00 29.96 ? 254 LEU P CD2 1 ATOM 1766 N N . ASP A 1 237 ? 40.033 38.671 -16.753 1.00 31.58 ? 255 ASP P N 1 ATOM 1767 C CA . ASP A 1 237 ? 40.806 39.428 -15.770 1.00 41.16 ? 255 ASP P CA 1 ATOM 1768 C C . ASP A 1 237 ? 42.005 40.050 -16.495 1.00 41.56 ? 255 ASP P C 1 ATOM 1769 O O . ASP A 1 237 ? 42.346 41.166 -16.132 1.00 37.36 ? 255 ASP P O 1 ATOM 1770 C CB . ASP A 1 237 ? 41.207 38.478 -14.627 1.00 33.02 ? 255 ASP P CB 1 ATOM 1771 C CG . ASP A 1 237 ? 41.968 39.234 -13.592 1.00 30.94 ? 255 ASP P CG 1 ATOM 1772 O OD1 . ASP A 1 237 ? 41.449 39.932 -12.680 1.00 36.48 ? 255 ASP P OD1 1 ATOM 1773 O OD2 . ASP A 1 237 ? 43.224 39.155 -13.561 1.00 39.24 ? 255 ASP P OD2 1 ATOM 1774 N N . ALA A 1 238 ? 42.552 39.332 -17.472 1.00 45.12 ? 256 ALA P N 1 ATOM 1775 C CA . ALA A 1 238 ? 43.704 39.903 -18.223 1.00 40.98 ? 256 ALA P CA 1 ATOM 1776 C C . ALA A 1 238 ? 43.170 40.932 -19.203 1.00 38.71 ? 256 ALA P C 1 ATOM 1777 O O . ALA A 1 238 ? 43.695 42.050 -19.099 1.00 43.55 ? 256 ALA P O 1 ATOM 1778 C CB . ALA A 1 238 ? 44.594 38.879 -18.803 1.00 28.03 ? 256 ALA P CB 1 ATOM 1779 N N . ALA A 1 239 ? 41.964 40.815 -19.774 1.00 39.40 ? 257 ALA P N 1 ATOM 1780 C CA . ALA A 1 239 ? 41.421 41.937 -20.507 1.00 29.67 ? 257 ALA P CA 1 ATOM 1781 C C . ALA A 1 239 ? 41.347 43.132 -19.584 1.00 42.22 ? 257 ALA P C 1 ATOM 1782 O O . ALA A 1 239 ? 41.510 44.288 -20.014 1.00 52.73 ? 257 ALA P O 1 ATOM 1783 C CB . ALA A 1 239 ? 40.060 41.533 -21.162 1.00 20.11 ? 257 ALA P CB 1 ATOM 1784 N N . VAL A 1 240 ? 40.997 43.026 -18.275 1.00 46.03 ? 258 VAL P N 1 ATOM 1785 C CA . VAL A 1 240 ? 40.845 44.185 -17.401 1.00 42.34 ? 258 VAL P CA 1 ATOM 1786 C C . VAL A 1 240 ? 42.186 44.901 -17.156 1.00 44.08 ? 258 VAL P C 1 ATOM 1787 O O . VAL A 1 240 ? 42.347 46.131 -17.092 1.00 34.82 ? 258 VAL P O 1 ATOM 1788 C CB . VAL A 1 240 ? 40.234 43.770 -16.033 1.00 39.84 ? 258 VAL P CB 1 ATOM 1789 C CG1 . VAL A 1 240 ? 40.358 44.914 -15.019 1.00 31.76 ? 258 VAL P CG1 1 ATOM 1790 C CG2 . VAL A 1 240 ? 38.732 43.411 -16.128 1.00 36.68 ? 258 VAL P CG2 1 ATOM 1791 N N . GLY A 1 241 ? 43.196 44.069 -16.940 1.00 39.08 ? 259 GLY P N 1 ATOM 1792 C CA . GLY A 1 241 ? 44.592 44.486 -16.823 1.00 51.09 ? 259 GLY P CA 1 ATOM 1793 C C . GLY A 1 241 ? 44.980 45.319 -18.080 1.00 51.40 ? 259 GLY P C 1 ATOM 1794 O O . GLY A 1 241 ? 45.530 46.379 -17.960 1.00 43.32 ? 259 GLY P O 1 ATOM 1795 N N . THR A 1 242 ? 44.638 44.877 -19.273 1.00 48.98 ? 260 THR P N 1 ATOM 1796 C CA . THR A 1 242 ? 44.897 45.567 -20.508 1.00 52.31 ? 260 THR P CA 1 ATOM 1797 C C . THR A 1 242 ? 44.202 46.904 -20.583 1.00 54.11 ? 260 THR P C 1 ATOM 1798 O O . THR A 1 242 ? 44.797 47.971 -20.639 1.00 53.80 ? 260 THR P O 1 ATOM 1799 C CB . THR A 1 242 ? 44.516 44.608 -21.643 1.00 52.19 ? 260 THR P CB 1 ATOM 1800 O OG1 . THR A 1 242 ? 45.512 43.550 -21.615 1.00 47.31 ? 260 THR P OG1 1 ATOM 1801 C CG2 . THR A 1 242 ? 44.533 45.247 -22.993 1.00 52.46 ? 260 THR P CG2 1 ATOM 1802 N N . LEU A 1 243 ? 42.889 46.970 -20.364 1.00 55.31 ? 261 LEU P N 1 ATOM 1803 C CA . LEU A 1 243 ? 42.219 48.244 -20.343 1.00 47.41 ? 261 LEU P CA 1 ATOM 1804 C C . LEU A 1 243 ? 43.012 49.149 -19.400 1.00 49.11 ? 261 LEU P C 1 ATOM 1805 O O . LEU A 1 243 ? 43.151 50.364 -19.609 1.00 59.65 ? 261 LEU P O 1 ATOM 1806 C CB . LEU A 1 243 ? 40.797 48.079 -19.865 1.00 46.48 ? 261 LEU P CB 1 ATOM 1807 C CG . LEU A 1 243 ? 39.594 47.723 -20.734 1.00 55.12 ? 261 LEU P CG 1 ATOM 1808 C CD1 . LEU A 1 243 ? 39.908 47.223 -22.115 1.00 50.34 ? 261 LEU P CD1 1 ATOM 1809 C CD2 . LEU A 1 243 ? 38.659 46.692 -20.040 1.00 51.71 ? 261 LEU P CD2 1 ATOM 1810 N N . MET A 1 244 ? 43.417 48.682 -18.251 1.00 46.05 ? 262 MET P N 1 ATOM 1811 C CA . MET A 1 244 ? 44.045 49.466 -17.217 1.00 49.20 ? 262 MET P CA 1 ATOM 1812 C C . MET A 1 244 ? 45.427 49.975 -17.656 1.00 51.31 ? 262 MET P C 1 ATOM 1813 O O . MET A 1 244 ? 45.793 51.057 -17.186 1.00 55.94 ? 262 MET P O 1 ATOM 1814 C CB . MET A 1 244 ? 44.184 48.632 -15.940 1.00 46.05 ? 262 MET P CB 1 ATOM 1815 C CG . MET A 1 244 ? 43.329 48.934 -14.768 1.00 48.20 ? 262 MET P CG 1 ATOM 1816 S SD . MET A 1 244 ? 41.744 49.693 -15.197 1.00 58.81 ? 262 MET P SD 1 ATOM 1817 C CE . MET A 1 244 ? 41.960 51.241 -14.287 1.00 46.32 ? 262 MET P CE 1 ATOM 1818 N N . THR A 1 245 ? 46.223 49.231 -18.370 1.00 48.86 ? 263 THR P N 1 ATOM 1819 C CA . THR A 1 245 ? 47.517 49.590 -18.886 1.00 57.89 ? 263 THR P CA 1 ATOM 1820 C C . THR A 1 245 ? 47.335 50.703 -19.939 1.00 57.63 ? 263 THR P C 1 ATOM 1821 O O . THR A 1 245 ? 47.662 51.894 -19.844 1.00 58.48 ? 263 THR P O 1 ATOM 1822 C CB . THR A 1 245 ? 48.302 48.436 -19.494 1.00 58.14 ? 263 THR P CB 1 ATOM 1823 O OG1 . THR A 1 245 ? 48.957 47.602 -18.526 1.00 59.87 ? 263 THR P OG1 1 ATOM 1824 C CG2 . THR A 1 245 ? 49.471 49.105 -20.251 1.00 64.49 ? 263 THR P CG2 1 ATOM 1825 N N . ALA A 1 246 ? 46.497 50.418 -20.913 1.00 52.08 ? 264 ALA P N 1 ATOM 1826 C CA . ALA A 1 246 ? 46.037 51.434 -21.817 1.00 51.36 ? 264 ALA P CA 1 ATOM 1827 C C . ALA A 1 246 ? 45.554 52.640 -21.014 1.00 59.83 ? 264 ALA P C 1 ATOM 1828 O O . ALA A 1 246 ? 45.694 53.742 -21.575 1.00 68.00 ? 264 ALA P O 1 ATOM 1829 C CB . ALA A 1 246 ? 44.892 50.905 -22.678 1.00 42.62 ? 264 ALA P CB 1 ATOM 1830 N N . ILE A 1 247 ? 44.910 52.559 -19.846 1.00 64.27 ? 265 ILE P N 1 ATOM 1831 C CA . ILE A 1 247 ? 44.425 53.847 -19.271 1.00 67.79 ? 265 ILE P CA 1 ATOM 1832 C C . ILE A 1 247 ? 45.683 54.602 -18.793 1.00 65.50 ? 265 ILE P C 1 ATOM 1833 O O . ILE A 1 247 ? 45.894 55.784 -19.118 1.00 58.99 ? 265 ILE P O 1 ATOM 1834 C CB . ILE A 1 247 ? 43.236 53.723 -18.322 1.00 63.54 ? 265 ILE P CB 1 ATOM 1835 C CG1 . ILE A 1 247 ? 42.029 53.151 -19.113 1.00 63.37 ? 265 ILE P CG1 1 ATOM 1836 C CG2 . ILE A 1 247 ? 42.746 55.022 -17.714 1.00 61.22 ? 265 ILE P CG2 1 ATOM 1837 C CD1 . ILE A 1 247 ? 40.836 52.876 -18.232 1.00 62.58 ? 265 ILE P CD1 1 ATOM 1838 N N . GLY A 1 248 ? 46.604 53.850 -18.245 1.00 58.25 ? 266 GLY P N 1 ATOM 1839 C CA . GLY A 1 248 ? 47.899 54.328 -17.816 1.00 66.90 ? 266 GLY P CA 1 ATOM 1840 C C . GLY A 1 248 ? 48.571 55.033 -18.992 1.00 67.92 ? 266 GLY P C 1 ATOM 1841 O O . GLY A 1 248 ? 48.634 56.256 -19.050 1.00 69.95 ? 266 GLY P O 1 ATOM 1842 N N . ASP A 1 249 ? 49.026 54.248 -19.954 1.00 65.72 ? 267 ASP P N 1 ATOM 1843 C CA . ASP A 1 249 ? 49.586 54.779 -21.172 1.00 62.10 ? 267 ASP P CA 1 ATOM 1844 C C . ASP A 1 249 ? 48.985 56.103 -21.592 1.00 61.96 ? 267 ASP P C 1 ATOM 1845 O O . ASP A 1 249 ? 49.852 56.982 -21.551 1.00 65.13 ? 267 ASP P O 1 ATOM 1846 C CB . ASP A 1 249 ? 49.434 53.840 -22.356 1.00 59.14 ? 267 ASP P CB 1 ATOM 1847 C CG . ASP A 1 249 ? 50.275 52.624 -22.005 1.00 61.26 ? 267 ASP P CG 1 ATOM 1848 O OD1 . ASP A 1 249 ? 50.972 52.575 -20.957 1.00 58.77 ? 267 ASP P OD1 1 ATOM 1849 O OD2 . ASP A 1 249 ? 50.143 51.755 -22.892 1.00 70.49 ? 267 ASP P OD2 1 ATOM 1850 N N . LEU A 1 250 ? 47.729 56.302 -21.921 1.00 58.73 ? 268 LEU P N 1 ATOM 1851 C CA . LEU A 1 250 ? 47.267 57.632 -22.255 1.00 49.85 ? 268 LEU P CA 1 ATOM 1852 C C . LEU A 1 250 ? 47.267 58.620 -21.121 1.00 46.80 ? 268 LEU P C 1 ATOM 1853 O O . LEU A 1 250 ? 46.594 59.652 -21.276 1.00 55.93 ? 268 LEU P O 1 ATOM 1854 C CB . LEU A 1 250 ? 45.817 57.616 -22.770 1.00 53.54 ? 268 LEU P CB 1 ATOM 1855 C CG . LEU A 1 250 ? 45.450 56.509 -23.738 1.00 65.97 ? 268 LEU P CG 1 ATOM 1856 C CD1 . LEU A 1 250 ? 44.114 56.821 -24.439 1.00 67.66 ? 268 LEU P CD1 1 ATOM 1857 C CD2 . LEU A 1 250 ? 46.556 56.287 -24.778 1.00 65.69 ? 268 LEU P CD2 1 ATOM 1858 N N . GLY A 1 251 ? 47.764 58.418 -19.948 1.00 47.19 ? 269 GLY P N 1 ATOM 1859 C CA . GLY A 1 251 ? 47.768 59.308 -18.801 1.00 54.46 ? 269 GLY P CA 1 ATOM 1860 C C . GLY A 1 251 ? 46.404 59.638 -18.249 1.00 64.50 ? 269 GLY P C 1 ATOM 1861 O O . GLY A 1 251 ? 46.157 60.653 -17.586 1.00 66.19 ? 269 GLY P O 1 ATOM 1862 N N . LEU A 1 252 ? 45.457 58.704 -18.470 1.00 68.09 ? 270 LEU P N 1 ATOM 1863 C CA . LEU A 1 252 ? 44.062 58.914 -18.109 1.00 60.01 ? 270 LEU P CA 1 ATOM 1864 C C . LEU A 1 252 ? 43.582 58.329 -16.810 1.00 56.05 ? 270 LEU P C 1 ATOM 1865 O O . LEU A 1 252 ? 42.379 58.472 -16.533 1.00 59.12 ? 270 LEU P O 1 ATOM 1866 C CB . LEU A 1 252 ? 43.292 58.423 -19.323 1.00 60.37 ? 270 LEU P CB 1 ATOM 1867 C CG . LEU A 1 252 ? 43.440 59.162 -20.633 1.00 48.02 ? 270 LEU P CG 1 ATOM 1868 C CD1 . LEU A 1 252 ? 42.347 58.700 -21.590 1.00 52.37 ? 270 LEU P CD1 1 ATOM 1869 C CD2 . LEU A 1 252 ? 43.122 60.622 -20.401 1.00 48.25 ? 270 LEU P CD2 1 ATOM 1870 N N . LEU A 1 253 ? 44.480 57.861 -15.935 1.00 50.80 ? 271 LEU P N 1 ATOM 1871 C CA . LEU A 1 253 ? 44.049 57.240 -14.713 1.00 51.68 ? 271 LEU P CA 1 ATOM 1872 C C . LEU A 1 253 ? 43.133 58.018 -13.825 1.00 56.96 ? 271 LEU P C 1 ATOM 1873 O O . LEU A 1 253 ? 42.034 57.505 -13.604 1.00 64.70 ? 271 LEU P O 1 ATOM 1874 C CB . LEU A 1 253 ? 45.126 56.663 -13.809 1.00 53.51 ? 271 LEU P CB 1 ATOM 1875 C CG . LEU A 1 253 ? 45.741 55.375 -14.395 1.00 56.74 ? 271 LEU P CG 1 ATOM 1876 C CD1 . LEU A 1 253 ? 46.788 54.859 -13.422 1.00 62.40 ? 271 LEU P CD1 1 ATOM 1877 C CD2 . LEU A 1 253 ? 44.675 54.323 -14.668 1.00 58.45 ? 271 LEU P CD2 1 ATOM 1878 N N . GLU A 1 254 ? 43.402 59.246 -13.421 1.00 63.31 ? 272 GLU P N 1 ATOM 1879 C CA . GLU A 1 254 ? 42.512 60.008 -12.541 1.00 53.15 ? 272 GLU P CA 1 ATOM 1880 C C . GLU A 1 254 ? 41.385 60.625 -13.320 1.00 52.20 ? 272 GLU P C 1 ATOM 1881 O O . GLU A 1 254 ? 40.606 61.298 -12.615 1.00 53.92 ? 272 GLU P O 1 ATOM 1882 C CB . GLU A 1 254 ? 43.251 60.977 -11.637 1.00 59.35 ? 272 GLU P CB 1 ATOM 1883 C CG . GLU A 1 254 ? 44.716 60.549 -11.598 1.00 75.47 ? 272 GLU P CG 1 ATOM 1884 C CD . GLU A 1 254 ? 45.536 60.752 -10.359 1.00 85.22 ? 272 GLU P CD 1 ATOM 1885 O OE1 . GLU A 1 254 ? 45.086 61.460 -9.431 1.00 85.83 ? 272 GLU P OE1 1 ATOM 1886 O OE2 . GLU A 1 254 ? 46.658 60.166 -10.407 1.00 91.90 ? 272 GLU P OE2 1 ATOM 1887 N N . GLU A 1 255 ? 41.230 60.300 -14.617 1.00 48.01 ? 273 GLU P N 1 ATOM 1888 C CA . GLU A 1 255 ? 40.050 60.932 -15.250 1.00 54.83 ? 273 GLU P CA 1 ATOM 1889 C C . GLU A 1 255 ? 39.053 59.889 -15.741 1.00 51.42 ? 273 GLU P C 1 ATOM 1890 O O . GLU A 1 255 ? 37.980 60.155 -16.311 1.00 45.85 ? 273 GLU P O 1 ATOM 1891 C CB . GLU A 1 255 ? 40.493 61.962 -16.290 1.00 59.10 ? 273 GLU P CB 1 ATOM 1892 N N . THR A 1 256 ? 39.463 58.641 -15.449 1.00 49.77 ? 274 THR P N 1 ATOM 1893 C CA . THR A 1 256 ? 38.539 57.541 -15.781 1.00 53.99 ? 274 THR P CA 1 ATOM 1894 C C . THR A 1 256 ? 37.892 56.781 -14.627 1.00 44.91 ? 274 THR P C 1 ATOM 1895 O O . THR A 1 256 ? 38.568 56.191 -13.765 1.00 33.57 ? 274 THR P O 1 ATOM 1896 C CB . THR A 1 256 ? 39.307 56.543 -16.697 1.00 54.62 ? 274 THR P CB 1 ATOM 1897 O OG1 . THR A 1 256 ? 39.860 57.407 -17.716 1.00 52.81 ? 274 THR P OG1 1 ATOM 1898 C CG2 . THR A 1 256 ? 38.341 55.576 -17.361 1.00 46.05 ? 274 THR P CG2 1 ATOM 1899 N N . LEU A 1 257 ? 36.566 56.826 -14.599 1.00 42.05 ? 275 LEU P N 1 ATOM 1900 C CA . LEU A 1 257 ? 35.767 55.952 -13.706 1.00 46.34 ? 275 LEU P CA 1 ATOM 1901 C C . LEU A 1 257 ? 35.660 54.554 -14.414 1.00 46.78 ? 275 LEU P C 1 ATOM 1902 O O . LEU A 1 257 ? 35.301 54.430 -15.624 1.00 41.45 ? 275 LEU P O 1 ATOM 1903 C CB . LEU A 1 257 ? 34.313 56.347 -13.526 1.00 41.45 ? 275 LEU P CB 1 ATOM 1904 C CG . LEU A 1 257 ? 33.259 55.522 -12.794 1.00 39.03 ? 275 LEU P CG 1 ATOM 1905 C CD1 . LEU A 1 257 ? 33.659 55.382 -11.316 1.00 43.32 ? 275 LEU P CD1 1 ATOM 1906 C CD2 . LEU A 1 257 ? 31.959 56.295 -12.716 1.00 37.05 ? 275 LEU P CD2 1 ATOM 1907 N N . VAL A 1 258 ? 35.979 53.541 -13.640 1.00 39.32 ? 276 VAL P N 1 ATOM 1908 C CA . VAL A 1 258 ? 35.864 52.132 -14.086 1.00 42.95 ? 276 VAL P CA 1 ATOM 1909 C C . VAL A 1 258 ? 35.005 51.320 -13.103 1.00 41.41 ? 276 VAL P C 1 ATOM 1910 O O . VAL A 1 258 ? 35.269 51.127 -11.884 1.00 39.49 ? 276 VAL P O 1 ATOM 1911 C CB . VAL A 1 258 ? 37.213 51.394 -14.041 1.00 44.71 ? 276 VAL P CB 1 ATOM 1912 C CG1 . VAL A 1 258 ? 37.056 49.974 -14.534 1.00 44.41 ? 276 VAL P CG1 1 ATOM 1913 C CG2 . VAL A 1 258 ? 38.329 52.121 -14.797 1.00 46.44 ? 276 VAL P CG2 1 ATOM 1914 N N . ILE A 1 259 ? 33.884 50.858 -13.609 1.00 38.31 ? 277 ILE P N 1 ATOM 1915 C CA . ILE A 1 259 ? 33.034 49.903 -12.927 1.00 37.45 ? 277 ILE P CA 1 ATOM 1916 C C . ILE A 1 259 ? 33.106 48.465 -13.480 1.00 41.59 ? 277 ILE P C 1 ATOM 1917 O O . ILE A 1 259 ? 33.015 48.265 -14.686 1.00 40.95 ? 277 ILE P O 1 ATOM 1918 C CB . ILE A 1 259 ? 31.590 50.342 -13.122 1.00 36.00 ? 277 ILE P CB 1 ATOM 1919 C CG1 . ILE A 1 259 ? 31.464 51.762 -12.567 1.00 37.49 ? 277 ILE P CG1 1 ATOM 1920 C CG2 . ILE A 1 259 ? 30.701 49.327 -12.391 1.00 41.93 ? 277 ILE P CG2 1 ATOM 1921 C CD1 . ILE A 1 259 ? 30.139 52.420 -13.036 1.00 34.75 ? 277 ILE P CD1 1 ATOM 1922 N N . PHE A 1 260 ? 33.174 47.454 -12.650 1.00 41.36 ? 278 PHE P N 1 ATOM 1923 C CA . PHE A 1 260 ? 32.980 46.045 -13.004 1.00 40.25 ? 278 PHE P CA 1 ATOM 1924 C C . PHE A 1 260 ? 31.768 45.433 -12.272 1.00 36.83 ? 278 PHE P C 1 ATOM 1925 O O . PHE A 1 260 ? 31.685 45.590 -11.031 1.00 39.52 ? 278 PHE P O 1 ATOM 1926 C CB . PHE A 1 260 ? 34.235 45.258 -12.664 1.00 37.72 ? 278 PHE P CB 1 ATOM 1927 C CG . PHE A 1 260 ? 34.171 43.781 -12.867 1.00 45.51 ? 278 PHE P CG 1 ATOM 1928 C CD1 . PHE A 1 260 ? 34.422 43.186 -14.090 1.00 46.11 ? 278 PHE P CD1 1 ATOM 1929 C CD2 . PHE A 1 260 ? 33.845 42.928 -11.803 1.00 46.11 ? 278 PHE P CD2 1 ATOM 1930 C CE1 . PHE A 1 260 ? 34.387 41.816 -14.250 1.00 44.20 ? 278 PHE P CE1 1 ATOM 1931 C CE2 . PHE A 1 260 ? 33.819 41.574 -11.941 1.00 35.45 ? 278 PHE P CE2 1 ATOM 1932 C CZ . PHE A 1 260 ? 34.067 41.028 -13.171 1.00 42.23 ? 278 PHE P CZ 1 ATOM 1933 N N . THR A 1 261 ? 30.929 44.670 -12.896 1.00 29.42 ? 279 THR P N 1 ATOM 1934 C CA . THR A 1 261 ? 29.883 43.877 -12.261 1.00 34.18 ? 279 THR P CA 1 ATOM 1935 C C . THR A 1 261 ? 29.480 42.721 -13.275 1.00 35.93 ? 279 THR P C 1 ATOM 1936 O O . THR A 1 261 ? 30.077 42.672 -14.340 1.00 27.28 ? 279 THR P O 1 ATOM 1937 C CB . THR A 1 261 ? 28.461 44.376 -12.103 1.00 35.96 ? 279 THR P CB 1 ATOM 1938 O OG1 . THR A 1 261 ? 28.131 45.673 -12.489 1.00 47.70 ? 279 THR P OG1 1 ATOM 1939 C CG2 . THR A 1 261 ? 27.913 43.958 -10.850 1.00 24.65 ? 279 THR P CG2 1 ATOM 1940 N N . ALA A 1 262 ? 28.360 41.995 -13.086 1.00 28.25 ? 280 ALA P N 1 ATOM 1941 C CA . ALA A 1 262 ? 28.031 40.916 -13.990 1.00 25.32 ? 280 ALA P CA 1 ATOM 1942 C C . ALA A 1 262 ? 26.550 40.853 -14.100 1.00 19.92 ? 280 ALA P C 1 ATOM 1943 O O . ALA A 1 262 ? 25.880 41.430 -13.277 1.00 29.74 ? 280 ALA P O 1 ATOM 1944 C CB . ALA A 1 262 ? 28.691 39.605 -13.603 1.00 27.34 ? 280 ALA P CB 1 ATOM 1945 N N . ASP A 1 263 ? 26.046 40.263 -15.147 1.00 25.33 ? 281 ASP P N 1 ATOM 1946 C CA . ASP A 1 263 ? 24.607 40.359 -15.342 1.00 25.93 ? 281 ASP P CA 1 ATOM 1947 C C . ASP A 1 263 ? 23.750 39.476 -14.454 1.00 23.24 ? 281 ASP P C 1 ATOM 1948 O O . ASP A 1 263 ? 22.567 39.867 -14.338 1.00 23.67 ? 281 ASP P O 1 ATOM 1949 C CB . ASP A 1 263 ? 24.269 40.050 -16.771 1.00 23.75 ? 281 ASP P CB 1 ATOM 1950 C CG . ASP A 1 263 ? 24.547 38.660 -17.329 1.00 24.49 ? 281 ASP P CG 1 ATOM 1951 O OD1 . ASP A 1 263 ? 25.346 37.824 -16.823 1.00 28.38 ? 281 ASP P OD1 1 ATOM 1952 O OD2 . ASP A 1 263 ? 23.911 38.432 -18.426 1.00 24.80 ? 281 ASP P OD2 1 ATOM 1953 N N . ASN A 1 264 ? 24.250 38.338 -13.982 1.00 20.55 ? 282 ASN P N 1 ATOM 1954 C CA . ASN A 1 264 ? 23.415 37.404 -13.227 1.00 21.82 ? 282 ASN P CA 1 ATOM 1955 C C . ASN A 1 264 ? 24.319 36.294 -12.700 1.00 28.05 ? 282 ASN P C 1 ATOM 1956 O O . ASN A 1 264 ? 25.538 36.205 -12.951 1.00 23.65 ? 282 ASN P O 1 ATOM 1957 C CB . ASN A 1 264 ? 22.272 36.811 -13.979 1.00 24.12 ? 282 ASN P CB 1 ATOM 1958 C CG . ASN A 1 264 ? 22.707 35.967 -15.189 1.00 30.25 ? 282 ASN P CG 1 ATOM 1959 O OD1 . ASN A 1 264 ? 22.341 36.289 -16.354 1.00 31.37 ? 282 ASN P OD1 1 ATOM 1960 N ND2 . ASN A 1 264 ? 23.430 34.853 -15.100 1.00 21.23 ? 282 ASN P ND2 1 ATOM 1961 N N . GLY A 1 265 ? 23.603 35.552 -11.819 1.00 23.27 ? 283 GLY P N 1 ATOM 1962 C CA . GLY A 1 265 ? 24.318 34.539 -11.083 1.00 15.03 ? 283 GLY P CA 1 ATOM 1963 C C . GLY A 1 265 ? 24.789 33.399 -11.995 1.00 20.86 ? 283 GLY P C 1 ATOM 1964 O O . GLY A 1 265 ? 24.542 33.387 -13.172 1.00 28.81 ? 283 GLY P O 1 ATOM 1965 N N . PRO A 1 266 ? 25.585 32.504 -11.412 1.00 21.24 ? 284 PRO P N 1 ATOM 1966 C CA . PRO A 1 266 ? 26.176 31.430 -12.115 1.00 17.48 ? 284 PRO P CA 1 ATOM 1967 C C . PRO A 1 266 ? 25.286 30.330 -12.636 1.00 23.48 ? 284 PRO P C 1 ATOM 1968 O O . PRO A 1 266 ? 24.206 30.033 -12.140 1.00 28.53 ? 284 PRO P O 1 ATOM 1969 C CB . PRO A 1 266 ? 27.128 30.837 -11.067 1.00 17.84 ? 284 PRO P CB 1 ATOM 1970 C CG . PRO A 1 266 ? 26.546 31.127 -9.769 1.00 13.79 ? 284 PRO P CG 1 ATOM 1971 C CD . PRO A 1 266 ? 25.709 32.369 -9.881 1.00 15.10 ? 284 PRO P CD 1 ATOM 1972 N N . GLU A 1 267 ? 25.715 29.708 -13.731 1.00 26.83 ? 285 GLU P N 1 ATOM 1973 C CA . GLU A 1 267 ? 24.931 28.596 -14.259 1.00 18.99 ? 285 GLU P CA 1 ATOM 1974 C C . GLU A 1 267 ? 25.522 27.311 -13.773 1.00 27.97 ? 285 GLU P C 1 ATOM 1975 O O . GLU A 1 267 ? 26.427 26.656 -14.253 1.00 29.72 ? 285 GLU P O 1 ATOM 1976 C CB . GLU A 1 267 ? 24.826 28.796 -15.725 1.00 18.47 ? 285 GLU P CB 1 ATOM 1977 C CG . GLU A 1 267 ? 23.843 27.843 -16.426 1.00 23.97 ? 285 GLU P CG 1 ATOM 1978 C CD . GLU A 1 267 ? 23.720 28.188 -17.905 1.00 28.38 ? 285 GLU P CD 1 ATOM 1979 O OE1 . GLU A 1 267 ? 24.671 27.782 -18.633 1.00 29.96 ? 285 GLU P OE1 1 ATOM 1980 O OE2 . GLU A 1 267 ? 22.753 28.812 -18.357 1.00 26.07 ? 285 GLU P OE2 1 ATOM 1981 N N . THR A 1 268 ? 24.972 26.898 -12.630 1.00 27.51 ? 286 THR P N 1 ATOM 1982 C CA . THR A 1 268 ? 25.461 25.746 -11.891 1.00 24.06 ? 286 THR P CA 1 ATOM 1983 C C . THR A 1 268 ? 25.099 24.452 -12.608 1.00 25.62 ? 286 THR P C 1 ATOM 1984 O O . THR A 1 268 ? 25.853 23.494 -12.458 1.00 29.20 ? 286 THR P O 1 ATOM 1985 C CB . THR A 1 268 ? 25.040 25.693 -10.398 1.00 26.32 ? 286 THR P CB 1 ATOM 1986 O OG1 . THR A 1 268 ? 23.612 25.559 -10.301 1.00 26.28 ? 286 THR P OG1 1 ATOM 1987 C CG2 . THR A 1 268 ? 25.333 27.012 -9.636 1.00 25.82 ? 286 THR P CG2 1 ATOM 1988 N N . MET A 1 269 ? 24.092 24.474 -13.478 1.00 21.94 ? 287 MET P N 1 ATOM 1989 C CA . MET A 1 269 ? 23.896 23.334 -14.387 1.00 26.12 ? 287 MET P CA 1 ATOM 1990 C C . MET A 1 269 ? 25.117 22.996 -15.217 1.00 27.63 ? 287 MET P C 1 ATOM 1991 O O . MET A 1 269 ? 25.321 21.811 -15.585 1.00 30.81 ? 287 MET P O 1 ATOM 1992 C CB . MET A 1 269 ? 22.743 23.906 -15.186 1.00 29.91 ? 287 MET P CB 1 ATOM 1993 C CG . MET A 1 269 ? 22.253 23.157 -16.358 1.00 43.96 ? 287 MET P CG 1 ATOM 1994 S SD . MET A 1 269 ? 22.707 23.907 -17.925 1.00 54.46 ? 287 MET P SD 1 ATOM 1995 C CE . MET A 1 269 ? 21.148 24.769 -18.239 1.00 49.94 ? 287 MET P CE 1 ATOM 1996 N N . ARG A 1 270 ? 26.123 23.831 -15.462 1.00 16.43 ? 288 ARG P N 1 ATOM 1997 C CA . ARG A 1 270 ? 27.381 23.552 -16.115 1.00 22.81 ? 288 ARG P CA 1 ATOM 1998 C C . ARG A 1 270 ? 28.416 22.862 -15.197 1.00 29.00 ? 288 ARG P C 1 ATOM 1999 O O . ARG A 1 270 ? 29.546 22.606 -15.621 1.00 24.24 ? 288 ARG P O 1 ATOM 2000 C CB . ARG A 1 270 ? 28.080 24.785 -16.681 1.00 19.30 ? 288 ARG P CB 1 ATOM 2001 C CG . ARG A 1 270 ? 27.127 25.614 -17.574 1.00 21.82 ? 288 ARG P CG 1 ATOM 2002 C CD . ARG A 1 270 ? 26.847 24.808 -18.877 1.00 20.38 ? 288 ARG P CD 1 ATOM 2003 N NE . ARG A 1 270 ? 25.725 25.601 -19.485 1.00 25.01 ? 288 ARG P NE 1 ATOM 2004 C CZ . ARG A 1 270 ? 25.030 25.234 -20.554 1.00 27.95 ? 288 ARG P CZ 1 ATOM 2005 N NH1 . ARG A 1 270 ? 25.320 24.071 -21.140 1.00 24.37 ? 288 ARG P NH1 1 ATOM 2006 N NH2 . ARG A 1 270 ? 24.013 25.823 -21.143 1.00 21.92 ? 288 ARG P NH2 1 ATOM 2007 N N . MET A 1 271 ? 27.954 22.631 -13.959 1.00 26.60 ? 289 MET P N 1 ATOM 2008 C CA . MET A 1 271 ? 28.705 22.016 -12.938 1.00 20.19 ? 289 MET P CA 1 ATOM 2009 C C . MET A 1 271 ? 29.993 22.741 -12.722 1.00 22.72 ? 289 MET P C 1 ATOM 2010 O O . MET A 1 271 ? 30.100 23.956 -12.480 1.00 20.76 ? 289 MET P O 1 ATOM 2011 C CB . MET A 1 271 ? 28.917 20.486 -13.306 1.00 23.96 ? 289 MET P CB 1 ATOM 2012 C CG . MET A 1 271 ? 27.520 19.854 -13.498 1.00 29.38 ? 289 MET P CG 1 ATOM 2013 S SD . MET A 1 271 ? 27.376 18.181 -14.108 1.00 34.90 ? 289 MET P SD 1 ATOM 2014 C CE . MET A 1 271 ? 28.853 17.377 -13.658 1.00 39.45 ? 289 MET P CE 1 ATOM 2015 N N . SER A 1 272 ? 31.105 22.006 -12.812 1.00 17.45 ? 290 SER P N 1 ATOM 2016 C CA . SER A 1 272 ? 32.425 22.584 -12.526 1.00 21.40 ? 290 SER P CA 1 ATOM 2017 C C . SER A 1 272 ? 32.910 23.412 -13.682 1.00 21.45 ? 290 SER P C 1 ATOM 2018 O O . SER A 1 272 ? 33.937 24.079 -13.592 1.00 27.49 ? 290 SER P O 1 ATOM 2019 C CB . SER A 1 272 ? 33.341 21.437 -12.059 1.00 17.08 ? 290 SER P CB 1 ATOM 2020 O OG . SER A 1 272 ? 34.055 21.113 -13.172 1.00 37.37 ? 290 SER P OG 1 ATOM 2021 N N . ARG A 1 273 ? 32.173 23.580 -14.746 1.00 25.63 ? 291 ARG P N 1 ATOM 2022 C CA . ARG A 1 273 ? 32.500 24.526 -15.836 1.00 27.05 ? 291 ARG P CA 1 ATOM 2023 C C . ARG A 1 273 ? 31.565 25.693 -15.670 1.00 25.76 ? 291 ARG P C 1 ATOM 2024 O O . ARG A 1 273 ? 31.492 26.529 -16.558 1.00 34.22 ? 291 ARG P O 1 ATOM 2025 C CB . ARG A 1 273 ? 32.271 23.810 -17.154 1.00 32.62 ? 291 ARG P CB 1 ATOM 2026 C CG . ARG A 1 273 ? 33.461 22.884 -17.492 1.00 33.12 ? 291 ARG P CG 1 ATOM 2027 C CD . ARG A 1 273 ? 32.953 22.160 -18.789 1.00 44.47 ? 291 ARG P CD 1 ATOM 2028 N NE . ARG A 1 273 ? 34.020 21.251 -19.194 1.00 48.86 ? 291 ARG P NE 1 ATOM 2029 C CZ . ARG A 1 273 ? 34.839 21.569 -20.229 1.00 49.22 ? 291 ARG P CZ 1 ATOM 2030 N NH1 . ARG A 1 273 ? 34.735 22.647 -20.987 1.00 43.37 ? 291 ARG P NH1 1 ATOM 2031 N NH2 . ARG A 1 273 ? 35.725 20.615 -20.309 1.00 39.33 ? 291 ARG P NH2 1 ATOM 2032 N N . GLY A 1 274 ? 30.917 25.872 -14.490 1.00 27.04 ? 292 GLY P N 1 ATOM 2033 C CA . GLY A 1 274 ? 30.065 27.060 -14.252 1.00 13.99 ? 292 GLY P CA 1 ATOM 2034 C C . GLY A 1 274 ? 30.598 27.804 -13.023 1.00 20.10 ? 292 GLY P C 1 ATOM 2035 O O . GLY A 1 274 ? 31.610 27.349 -12.488 1.00 21.78 ? 292 GLY P O 1 ATOM 2036 N N . GLY A 1 275 ? 29.945 28.937 -12.646 1.00 18.96 ? 293 GLY P N 1 ATOM 2037 C CA . GLY A 1 275 ? 30.451 29.740 -11.535 1.00 25.31 ? 293 GLY P CA 1 ATOM 2038 C C . GLY A 1 275 ? 30.043 29.281 -10.180 1.00 31.07 ? 293 GLY P C 1 ATOM 2039 O O . GLY A 1 275 ? 29.521 28.176 -9.979 1.00 21.02 ? 293 GLY P O 1 ATOM 2040 N N . CYS A 1 276 ? 30.339 30.157 -9.202 1.00 31.02 ? 294 CYS P N 1 ATOM 2041 C CA . CYS A 1 276 ? 30.158 29.805 -7.795 1.00 20.38 ? 294 CYS P CA 1 ATOM 2042 C C . CYS A 1 276 ? 29.478 30.948 -7.085 1.00 29.08 ? 294 CYS P C 1 ATOM 2043 O O . CYS A 1 276 ? 30.046 32.055 -7.237 1.00 27.55 ? 294 CYS P O 1 ATOM 2044 C CB . CYS A 1 276 ? 31.567 29.709 -7.186 1.00 23.27 ? 294 CYS P CB 1 ATOM 2045 S SG . CYS A 1 276 ? 31.392 29.350 -5.425 1.00 31.61 ? 294 CYS P SG 1 ATOM 2046 N N . SER A 1 277 ? 28.354 30.766 -6.345 1.00 22.04 ? 295 SER P N 1 ATOM 2047 C CA . SER A 1 277 ? 27.668 31.889 -5.686 1.00 17.27 ? 295 SER P CA 1 ATOM 2048 C C . SER A 1 277 ? 28.303 32.050 -4.309 1.00 13.92 ? 295 SER P C 1 ATOM 2049 O O . SER A 1 277 ? 27.819 32.820 -3.465 1.00 16.18 ? 295 SER P O 1 ATOM 2050 C CB . SER A 1 277 ? 26.149 31.546 -5.505 1.00 18.79 ? 295 SER P CB 1 ATOM 2051 O OG . SER A 1 277 ? 26.245 30.220 -4.802 1.00 26.52 ? 295 SER P OG 1 ATOM 2052 N N . GLY A 1 278 ? 29.364 31.298 -3.940 1.00 17.94 ? 296 GLY P N 1 ATOM 2053 C CA . GLY A 1 278 ? 29.909 31.476 -2.576 1.00 18.92 ? 296 GLY P CA 1 ATOM 2054 C C . GLY A 1 278 ? 28.920 31.025 -1.546 1.00 32.44 ? 296 GLY P C 1 ATOM 2055 O O . GLY A 1 278 ? 28.203 30.034 -1.690 1.00 29.25 ? 296 GLY P O 1 ATOM 2056 N N . LEU A 1 279 ? 28.681 31.819 -0.471 1.00 27.09 ? 297 LEU P N 1 ATOM 2057 C CA . LEU A 1 279 ? 27.850 31.398 0.638 1.00 23.11 ? 297 LEU P CA 1 ATOM 2058 C C . LEU A 1 279 ? 26.396 31.627 0.237 1.00 21.80 ? 297 LEU P C 1 ATOM 2059 O O . LEU A 1 279 ? 25.540 31.225 0.993 1.00 20.24 ? 297 LEU P O 1 ATOM 2060 C CB . LEU A 1 279 ? 28.177 32.160 1.912 1.00 23.67 ? 297 LEU P CB 1 ATOM 2061 C CG . LEU A 1 279 ? 27.604 33.632 1.870 1.00 23.45 ? 297 LEU P CG 1 ATOM 2062 C CD1 . LEU A 1 279 ? 27.696 34.153 3.238 1.00 20.90 ? 297 LEU P CD1 1 ATOM 2063 C CD2 . LEU A 1 279 ? 28.382 34.514 0.889 1.00 16.01 ? 297 LEU P CD2 1 ATOM 2064 N N . LEU A 1 280 ? 26.130 32.317 -0.806 1.00 15.91 ? 298 LEU P N 1 ATOM 2065 C CA . LEU A 1 280 ? 24.787 32.588 -1.224 1.00 19.17 ? 298 LEU P CA 1 ATOM 2066 C C . LEU A 1 280 ? 24.144 31.389 -1.871 1.00 21.15 ? 298 LEU P C 1 ATOM 2067 O O . LEU A 1 280 ? 24.777 30.480 -2.397 1.00 20.59 ? 298 LEU P O 1 ATOM 2068 C CB . LEU A 1 280 ? 24.726 33.770 -2.197 1.00 19.19 ? 298 LEU P CB 1 ATOM 2069 C CG . LEU A 1 280 ? 25.563 34.997 -1.769 1.00 21.46 ? 298 LEU P CG 1 ATOM 2070 C CD1 . LEU A 1 280 ? 25.380 36.024 -2.882 1.00 28.98 ? 298 LEU P CD1 1 ATOM 2071 C CD2 . LEU A 1 280 ? 24.975 35.565 -0.476 1.00 15.88 ? 298 LEU P CD2 1 ATOM 2072 N N . ARG A 1 281 ? 22.823 31.354 -1.819 1.00 22.02 ? 299 ARG P N 1 ATOM 2073 C CA . ARG A 1 281 ? 22.030 30.207 -2.238 1.00 20.24 ? 299 ARG P CA 1 ATOM 2074 C C . ARG A 1 281 ? 21.612 30.184 -3.679 1.00 19.31 ? 299 ARG P C 1 ATOM 2075 O O . ARG A 1 281 ? 21.083 31.219 -4.114 1.00 15.44 ? 299 ARG P O 1 ATOM 2076 C CB . ARG A 1 281 ? 20.736 30.407 -1.415 1.00 16.53 ? 299 ARG P CB 1 ATOM 2077 C CG . ARG A 1 281 ? 19.988 29.139 -1.392 1.00 32.23 ? 299 ARG P CG 1 ATOM 2078 C CD . ARG A 1 281 ? 18.886 29.130 -0.345 1.00 27.81 ? 299 ARG P CD 1 ATOM 2079 N NE . ARG A 1 281 ? 18.482 27.793 -0.110 1.00 33.87 ? 299 ARG P NE 1 ATOM 2080 C CZ . ARG A 1 281 ? 17.486 27.299 0.622 1.00 37.96 ? 299 ARG P CZ 1 ATOM 2081 N NH1 . ARG A 1 281 ? 16.724 28.212 1.210 1.00 35.81 ? 299 ARG P NH1 1 ATOM 2082 N NH2 . ARG A 1 281 ? 17.339 25.971 0.628 1.00 31.34 ? 299 ARG P NH2 1 ATOM 2083 N N . CYS A 1 282 ? 21.855 29.088 -4.410 1.00 22.47 ? 300 CYS P N 1 ATOM 2084 C CA . CYS A 1 282 ? 21.364 28.930 -5.786 1.00 22.23 ? 300 CYS P CA 1 ATOM 2085 C C . CYS A 1 282 ? 22.088 29.901 -6.715 1.00 26.95 ? 300 CYS P C 1 ATOM 2086 O O . CYS A 1 282 ? 23.088 30.499 -6.339 1.00 25.19 ? 300 CYS P O 1 ATOM 2087 C CB . CYS A 1 282 ? 19.860 29.137 -5.852 1.00 20.15 ? 300 CYS P CB 1 ATOM 2088 S SG . CYS A 1 282 ? 18.766 27.999 -4.906 1.00 20.44 ? 300 CYS P SG 1 ATOM 2089 N N . GLY A 1 283 ? 21.626 30.103 -7.897 1.00 20.17 ? 301 GLY P N 1 ATOM 2090 C CA . GLY A 1 283 ? 22.130 30.836 -8.970 1.00 21.91 ? 301 GLY P CA 1 ATOM 2091 C C . GLY A 1 283 ? 21.155 31.404 -10.013 1.00 19.69 ? 301 GLY P C 1 ATOM 2092 O O . GLY A 1 283 ? 20.050 31.867 -9.830 1.00 24.10 ? 301 GLY P O 1 ATOM 2093 N N . LYS A 1 284 ? 21.678 31.331 -11.222 1.00 26.36 ? 302 LYS P N 1 ATOM 2094 C CA . LYS A 1 284 ? 21.099 31.960 -12.400 1.00 21.41 ? 302 LYS P CA 1 ATOM 2095 C C . LYS A 1 284 ? 19.675 31.466 -12.540 1.00 23.90 ? 302 LYS P C 1 ATOM 2096 O O . LYS A 1 284 ? 19.377 30.280 -12.341 1.00 21.90 ? 302 LYS P O 1 ATOM 2097 C CB . LYS A 1 284 ? 21.910 31.431 -13.565 1.00 21.74 ? 302 LYS P CB 1 ATOM 2098 C CG . LYS A 1 284 ? 21.543 32.140 -14.864 1.00 29.67 ? 302 LYS P CG 1 ATOM 2099 C CD . LYS A 1 284 ? 22.080 31.308 -16.013 1.00 24.40 ? 302 LYS P CD 1 ATOM 2100 C CE . LYS A 1 284 ? 21.670 32.126 -17.294 1.00 28.62 ? 302 LYS P CE 1 ATOM 2101 N NZ . LYS A 1 284 ? 22.625 31.675 -18.388 1.00 20.76 ? 302 LYS P NZ 1 ATOM 2102 N N . GLY A 1 285 ? 18.851 32.417 -12.808 1.00 23.62 ? 303 GLY P N 1 ATOM 2103 C CA . GLY A 1 285 ? 17.453 32.092 -13.034 1.00 16.84 ? 303 GLY P CA 1 ATOM 2104 C C . GLY A 1 285 ? 16.583 32.108 -11.821 1.00 25.70 ? 303 GLY P C 1 ATOM 2105 O O . GLY A 1 285 ? 15.393 31.794 -11.998 1.00 22.41 ? 303 GLY P O 1 ATOM 2106 N N . THR A 1 286 ? 17.144 32.359 -10.602 1.00 25.03 ? 304 THR P N 1 ATOM 2107 C CA . THR A 1 286 ? 16.252 32.390 -9.462 1.00 23.60 ? 304 THR P CA 1 ATOM 2108 C C . THR A 1 286 ? 16.238 33.792 -8.854 1.00 28.42 ? 304 THR P C 1 ATOM 2109 O O . THR A 1 286 ? 17.172 34.567 -9.051 1.00 20.09 ? 304 THR P O 1 ATOM 2110 C CB . THR A 1 286 ? 16.756 31.414 -8.387 1.00 29.26 ? 304 THR P CB 1 ATOM 2111 O OG1 . THR A 1 286 ? 17.999 31.839 -7.824 1.00 21.79 ? 304 THR P OG1 1 ATOM 2112 C CG2 . THR A 1 286 ? 16.910 29.970 -8.912 1.00 13.51 ? 304 THR P CG2 1 ATOM 2113 N N . THR A 1 287 ? 15.342 34.072 -7.904 1.00 24.84 ? 305 THR P N 1 ATOM 2114 C CA . THR A 1 287 ? 15.388 35.280 -7.127 1.00 22.18 ? 305 THR P CA 1 ATOM 2115 C C . THR A 1 287 ? 16.018 35.024 -5.759 1.00 26.38 ? 305 THR P C 1 ATOM 2116 O O . THR A 1 287 ? 16.072 35.949 -4.950 1.00 21.23 ? 305 THR P O 1 ATOM 2117 C CB . THR A 1 287 ? 13.982 35.842 -7.074 1.00 21.27 ? 305 THR P CB 1 ATOM 2118 O OG1 . THR A 1 287 ? 13.180 34.715 -6.568 1.00 24.49 ? 305 THR P OG1 1 ATOM 2119 C CG2 . THR A 1 287 ? 13.423 36.193 -8.452 1.00 12.56 ? 305 THR P CG2 1 ATOM 2120 N N . TYR A 1 288 ? 16.720 33.916 -5.496 1.00 22.96 ? 306 TYR P N 1 ATOM 2121 C CA . TYR A 1 288 ? 17.575 33.785 -4.316 1.00 22.22 ? 306 TYR P CA 1 ATOM 2122 C C . TYR A 1 288 ? 18.828 34.668 -4.438 1.00 25.79 ? 306 TYR P C 1 ATOM 2123 O O . TYR A 1 288 ? 19.224 35.129 -5.529 1.00 25.55 ? 306 TYR P O 1 ATOM 2124 C CB . TYR A 1 288 ? 18.075 32.319 -4.155 1.00 18.06 ? 306 TYR P CB 1 ATOM 2125 C CG . TYR A 1 288 ? 16.917 31.406 -3.763 1.00 21.15 ? 306 TYR P CG 1 ATOM 2126 C CD1 . TYR A 1 288 ? 16.370 31.438 -2.464 1.00 22.57 ? 306 TYR P CD1 1 ATOM 2127 C CD2 . TYR A 1 288 ? 16.429 30.484 -4.662 1.00 19.39 ? 306 TYR P CD2 1 ATOM 2128 C CE1 . TYR A 1 288 ? 15.300 30.629 -2.155 1.00 23.52 ? 306 TYR P CE1 1 ATOM 2129 C CE2 . TYR A 1 288 ? 15.365 29.668 -4.399 1.00 24.20 ? 306 TYR P CE2 1 ATOM 2130 C CZ . TYR A 1 288 ? 14.817 29.754 -3.102 1.00 25.29 ? 306 TYR P CZ 1 ATOM 2131 O OH . TYR A 1 288 ? 13.766 28.923 -2.793 1.00 22.64 ? 306 TYR P OH 1 ATOM 2132 N N . GLU A 1 289 ? 19.457 34.974 -3.319 1.00 24.19 ? 307 GLU P N 1 ATOM 2133 C CA . GLU A 1 289 ? 20.612 35.900 -3.397 1.00 25.58 ? 307 GLU P CA 1 ATOM 2134 C C . GLU A 1 289 ? 21.678 35.508 -4.417 1.00 24.53 ? 307 GLU P C 1 ATOM 2135 O O . GLU A 1 289 ? 22.187 36.381 -5.146 1.00 21.34 ? 307 GLU P O 1 ATOM 2136 C CB . GLU A 1 289 ? 21.334 36.017 -2.029 1.00 22.87 ? 307 GLU P CB 1 ATOM 2137 C CG . GLU A 1 289 ? 20.476 36.715 -0.975 1.00 20.84 ? 307 GLU P CG 1 ATOM 2138 C CD . GLU A 1 289 ? 20.361 38.185 -1.374 1.00 24.76 ? 307 GLU P CD 1 ATOM 2139 O OE1 . GLU A 1 289 ? 21.326 38.960 -1.109 1.00 27.05 ? 307 GLU P OE1 1 ATOM 2140 O OE2 . GLU A 1 289 ? 19.247 38.411 -1.931 1.00 19.02 ? 307 GLU P OE2 1 ATOM 2141 N N . GLY A 1 290 ? 21.999 34.216 -4.548 1.00 25.90 ? 308 GLY P N 1 ATOM 2142 C CA . GLY A 1 290 ? 22.986 33.697 -5.513 1.00 24.10 ? 308 GLY P CA 1 ATOM 2143 C C . GLY A 1 290 ? 22.711 33.966 -6.953 1.00 22.66 ? 308 GLY P C 1 ATOM 2144 O O . GLY A 1 290 ? 23.556 33.870 -7.878 1.00 27.89 ? 308 GLY P O 1 ATOM 2145 N N . GLY A 1 291 ? 21.458 34.351 -7.310 1.00 20.36 ? 309 GLY P N 1 ATOM 2146 C CA . GLY A 1 291 ? 21.180 34.654 -8.676 1.00 23.72 ? 309 GLY P CA 1 ATOM 2147 C C . GLY A 1 291 ? 21.173 36.173 -8.913 1.00 24.30 ? 309 GLY P C 1 ATOM 2148 O O . GLY A 1 291 ? 21.440 36.447 -10.062 1.00 28.91 ? 309 GLY P O 1 ATOM 2149 N N . VAL A 1 292 ? 20.843 36.957 -7.918 1.00 24.80 ? 310 VAL P N 1 ATOM 2150 C CA . VAL A 1 292 ? 20.698 38.373 -8.163 1.00 26.16 ? 310 VAL P CA 1 ATOM 2151 C C . VAL A 1 292 ? 21.777 39.246 -7.537 1.00 24.94 ? 310 VAL P C 1 ATOM 2152 O O . VAL A 1 292 ? 21.809 40.476 -7.803 1.00 27.55 ? 310 VAL P O 1 ATOM 2153 C CB . VAL A 1 292 ? 19.312 38.893 -7.668 1.00 27.19 ? 310 VAL P CB 1 ATOM 2154 C CG1 . VAL A 1 292 ? 18.293 38.313 -8.610 1.00 21.49 ? 310 VAL P CG1 1 ATOM 2155 C CG2 . VAL A 1 292 ? 18.980 38.479 -6.215 1.00 18.88 ? 310 VAL P CG2 1 ATOM 2156 N N . ARG A 1 293 ? 22.607 38.630 -6.721 1.00 22.42 ? 311 ARG P N 1 ATOM 2157 C CA . ARG A 1 293 ? 23.589 39.462 -6.027 1.00 25.05 ? 311 ARG P CA 1 ATOM 2158 C C . ARG A 1 293 ? 24.941 39.176 -6.652 1.00 21.92 ? 311 ARG P C 1 ATOM 2159 O O . ARG A 1 293 ? 25.338 38.032 -6.899 1.00 26.57 ? 311 ARG P O 1 ATOM 2160 C CB . ARG A 1 293 ? 23.521 39.298 -4.496 1.00 23.36 ? 311 ARG P CB 1 ATOM 2161 C CG . ARG A 1 293 ? 24.554 40.116 -3.795 1.00 24.64 ? 311 ARG P CG 1 ATOM 2162 C CD . ARG A 1 293 ? 24.927 39.886 -2.390 1.00 29.87 ? 311 ARG P CD 1 ATOM 2163 N NE . ARG A 1 293 ? 24.065 39.627 -1.321 1.00 28.44 ? 311 ARG P NE 1 ATOM 2164 C CZ . ARG A 1 293 ? 24.094 39.779 -0.016 1.00 29.69 ? 311 ARG P CZ 1 ATOM 2165 N NH1 . ARG A 1 293 ? 25.130 40.431 0.478 1.00 30.45 ? 311 ARG P NH1 1 ATOM 2166 N NH2 . ARG A 1 293 ? 23.120 39.335 0.783 1.00 21.61 ? 311 ARG P NH2 1 ATOM 2167 N N . GLU A 1 294 ? 25.489 40.250 -7.170 1.00 19.01 ? 312 GLU P N 1 ATOM 2168 C CA . GLU A 1 294 ? 26.695 40.210 -8.031 1.00 24.69 ? 312 GLU P CA 1 ATOM 2169 C C . GLU A 1 294 ? 27.877 40.943 -7.471 1.00 24.30 ? 312 GLU P C 1 ATOM 2170 O O . GLU A 1 294 ? 27.765 41.880 -6.651 1.00 30.69 ? 312 GLU P O 1 ATOM 2171 C CB . GLU A 1 294 ? 26.252 40.944 -9.304 1.00 20.33 ? 312 GLU P CB 1 ATOM 2172 C CG . GLU A 1 294 ? 25.237 40.282 -10.196 1.00 20.95 ? 312 GLU P CG 1 ATOM 2173 C CD . GLU A 1 294 ? 25.683 38.810 -10.460 1.00 36.00 ? 312 GLU P CD 1 ATOM 2174 O OE1 . GLU A 1 294 ? 26.782 38.360 -10.884 1.00 28.68 ? 312 GLU P OE1 1 ATOM 2175 O OE2 . GLU A 1 294 ? 24.745 38.009 -10.182 1.00 36.95 ? 312 GLU P OE2 1 ATOM 2176 N N . PRO A 1 295 ? 29.029 40.636 -7.927 1.00 29.36 ? 313 PRO P N 1 ATOM 2177 C CA . PRO A 1 295 ? 30.239 41.348 -7.491 1.00 28.00 ? 313 PRO P CA 1 ATOM 2178 C C . PRO A 1 295 ? 30.202 42.729 -8.123 1.00 31.71 ? 313 PRO P C 1 ATOM 2179 O O . PRO A 1 295 ? 29.640 42.836 -9.211 1.00 28.64 ? 313 PRO P O 1 ATOM 2180 C CB . PRO A 1 295 ? 31.389 40.595 -8.098 1.00 27.69 ? 313 PRO P CB 1 ATOM 2181 C CG . PRO A 1 295 ? 30.768 39.608 -9.065 1.00 27.89 ? 313 PRO P CG 1 ATOM 2182 C CD . PRO A 1 295 ? 29.252 39.660 -9.028 1.00 28.19 ? 313 PRO P CD 1 ATOM 2183 N N . ALA A 1 296 ? 30.763 43.669 -7.407 1.00 30.38 ? 314 ALA P N 1 ATOM 2184 C CA . ALA A 1 296 ? 30.782 45.024 -8.046 1.00 30.03 ? 314 ALA P CA 1 ATOM 2185 C C . ALA A 1 296 ? 31.893 45.861 -7.471 1.00 32.03 ? 314 ALA P C 1 ATOM 2186 O O . ALA A 1 296 ? 32.258 45.817 -6.283 1.00 33.77 ? 314 ALA P O 1 ATOM 2187 C CB . ALA A 1 296 ? 29.381 45.490 -8.121 1.00 20.02 ? 314 ALA P CB 1 ATOM 2188 N N . LEU A 1 297 ? 32.707 46.402 -8.376 1.00 35.96 ? 315 LEU P N 1 ATOM 2189 C CA . LEU A 1 297 ? 33.909 47.230 -8.075 1.00 38.83 ? 315 LEU P CA 1 ATOM 2190 C C . LEU A 1 297 ? 33.808 48.593 -8.774 1.00 40.39 ? 315 LEU P C 1 ATOM 2191 O O . LEU A 1 297 ? 33.447 48.735 -9.950 1.00 41.83 ? 315 LEU P O 1 ATOM 2192 C CB . LEU A 1 297 ? 35.209 46.614 -8.626 1.00 35.59 ? 315 LEU P CB 1 ATOM 2193 C CG . LEU A 1 297 ? 35.321 45.130 -8.239 1.00 40.62 ? 315 LEU P CG 1 ATOM 2194 C CD1 . LEU A 1 297 ? 36.538 44.418 -8.769 1.00 40.22 ? 315 LEU P CD1 1 ATOM 2195 C CD2 . LEU A 1 297 ? 35.314 45.052 -6.723 1.00 42.29 ? 315 LEU P CD2 1 ATOM 2196 N N . ALA A 1 298 ? 34.151 49.626 -8.064 1.00 40.73 ? 316 ALA P N 1 ATOM 2197 C CA . ALA A 1 298 ? 34.145 51.000 -8.632 1.00 37.59 ? 316 ALA P CA 1 ATOM 2198 C C . ALA A 1 298 ? 35.567 51.531 -8.363 1.00 41.61 ? 316 ALA P C 1 ATOM 2199 O O . ALA A 1 298 ? 36.095 51.365 -7.230 1.00 43.03 ? 316 ALA P O 1 ATOM 2200 C CB . ALA A 1 298 ? 32.998 51.818 -8.146 1.00 28.98 ? 316 ALA P CB 1 ATOM 2201 N N . PHE A 1 299 ? 36.224 51.916 -9.467 1.00 37.20 ? 317 PHE P N 1 ATOM 2202 C CA . PHE A 1 299 ? 37.647 52.339 -9.261 1.00 39.00 ? 317 PHE P CA 1 ATOM 2203 C C . PHE A 1 299 ? 37.930 53.661 -9.995 1.00 48.74 ? 317 PHE P C 1 ATOM 2204 O O . PHE A 1 299 ? 37.571 53.856 -11.165 1.00 45.61 ? 317 PHE P O 1 ATOM 2205 C CB . PHE A 1 299 ? 38.551 51.286 -9.747 1.00 35.83 ? 317 PHE P CB 1 ATOM 2206 C CG . PHE A 1 299 ? 39.997 51.585 -9.864 1.00 40.04 ? 317 PHE P CG 1 ATOM 2207 C CD1 . PHE A 1 299 ? 40.524 52.167 -10.994 1.00 45.13 ? 317 PHE P CD1 1 ATOM 2208 C CD2 . PHE A 1 299 ? 40.871 51.261 -8.842 1.00 39.67 ? 317 PHE P CD2 1 ATOM 2209 C CE1 . PHE A 1 299 ? 41.892 52.409 -11.135 1.00 45.40 ? 317 PHE P CE1 1 ATOM 2210 C CE2 . PHE A 1 299 ? 42.217 51.532 -8.942 1.00 39.68 ? 317 PHE P CE2 1 ATOM 2211 C CZ . PHE A 1 299 ? 42.741 52.098 -10.082 1.00 43.16 ? 317 PHE P CZ 1 ATOM 2212 N N . TRP A 1 300 ? 38.429 54.636 -9.221 1.00 49.53 ? 318 TRP P N 1 ATOM 2213 C CA . TRP A 1 300 ? 38.683 55.973 -9.822 1.00 46.89 ? 318 TRP P CA 1 ATOM 2214 C C . TRP A 1 300 ? 39.742 56.687 -9.019 1.00 44.85 ? 318 TRP P C 1 ATOM 2215 O O . TRP A 1 300 ? 39.372 57.380 -8.084 1.00 42.22 ? 318 TRP P O 1 ATOM 2216 C CB . TRP A 1 300 ? 37.419 56.806 -9.671 1.00 42.88 ? 318 TRP P CB 1 ATOM 2217 C CG . TRP A 1 300 ? 37.427 58.052 -10.454 1.00 45.85 ? 318 TRP P CG 1 ATOM 2218 C CD1 . TRP A 1 300 ? 38.453 58.501 -11.275 1.00 48.12 ? 318 TRP P CD1 1 ATOM 2219 C CD2 . TRP A 1 300 ? 36.341 58.982 -10.583 1.00 41.33 ? 318 TRP P CD2 1 ATOM 2220 N NE1 . TRP A 1 300 ? 38.034 59.678 -11.858 1.00 44.83 ? 318 TRP P NE1 1 ATOM 2221 C CE2 . TRP A 1 300 ? 36.772 60.013 -11.419 1.00 40.72 ? 318 TRP P CE2 1 ATOM 2222 C CE3 . TRP A 1 300 ? 35.091 59.087 -10.016 1.00 47.00 ? 318 TRP P CE3 1 ATOM 2223 C CZ2 . TRP A 1 300 ? 35.980 61.102 -11.745 1.00 45.43 ? 318 TRP P CZ2 1 ATOM 2224 C CZ3 . TRP A 1 300 ? 34.289 60.186 -10.319 1.00 54.27 ? 318 TRP P CZ3 1 ATOM 2225 C CH2 . TRP A 1 300 ? 34.722 61.188 -11.191 1.00 51.78 ? 318 TRP P CH2 1 ATOM 2226 N N . PRO A 1 301 ? 41.012 56.446 -9.254 1.00 48.94 ? 319 PRO P N 1 ATOM 2227 C CA . PRO A 1 301 ? 42.054 57.034 -8.430 1.00 51.57 ? 319 PRO P CA 1 ATOM 2228 C C . PRO A 1 301 ? 41.826 58.524 -8.252 1.00 53.87 ? 319 PRO P C 1 ATOM 2229 O O . PRO A 1 301 ? 41.369 59.354 -9.048 1.00 45.81 ? 319 PRO P O 1 ATOM 2230 C CB . PRO A 1 301 ? 43.342 56.699 -9.133 1.00 55.76 ? 319 PRO P CB 1 ATOM 2231 C CG . PRO A 1 301 ? 42.982 55.407 -9.773 1.00 57.73 ? 319 PRO P CG 1 ATOM 2232 C CD . PRO A 1 301 ? 41.577 55.614 -10.317 1.00 50.90 ? 319 PRO P CD 1 ATOM 2233 N N . GLY A 1 302 ? 42.027 58.839 -6.969 1.00 50.49 ? 320 GLY P N 1 ATOM 2234 C CA . GLY A 1 302 ? 41.839 60.209 -6.561 1.00 48.71 ? 320 GLY P CA 1 ATOM 2235 C C . GLY A 1 302 ? 40.416 60.599 -6.371 1.00 51.33 ? 320 GLY P C 1 ATOM 2236 O O . GLY A 1 302 ? 40.326 61.637 -5.699 1.00 51.74 ? 320 GLY P O 1 ATOM 2237 N N . HIS A 1 303 ? 39.388 59.908 -6.830 1.00 51.88 ? 321 HIS P N 1 ATOM 2238 C CA . HIS A 1 303 ? 38.012 60.253 -6.504 1.00 56.13 ? 321 HIS P CA 1 ATOM 2239 C C . HIS A 1 303 ? 37.242 59.347 -5.531 1.00 57.79 ? 321 HIS P C 1 ATOM 2240 O O . HIS A 1 303 ? 36.271 59.755 -4.883 1.00 51.99 ? 321 HIS P O 1 ATOM 2241 C CB . HIS A 1 303 ? 37.238 60.332 -7.807 1.00 61.60 ? 321 HIS P CB 1 ATOM 2242 C CG . HIS A 1 303 ? 37.810 61.465 -8.643 1.00 71.87 ? 321 HIS P CG 1 ATOM 2243 N ND1 . HIS A 1 303 ? 39.025 61.333 -9.317 1.00 70.24 ? 321 HIS P ND1 1 ATOM 2244 C CD2 . HIS A 1 303 ? 37.319 62.703 -8.905 1.00 69.58 ? 321 HIS P CD2 1 ATOM 2245 C CE1 . HIS A 1 303 ? 39.254 62.436 -9.974 1.00 68.62 ? 321 HIS P CE1 1 ATOM 2246 N NE2 . HIS A 1 303 ? 38.257 63.265 -9.735 1.00 71.33 ? 321 HIS P NE2 1 ATOM 2247 N N . ILE A 1 304 ? 37.592 58.067 -5.487 1.00 54.25 ? 322 ILE P N 1 ATOM 2248 C CA . ILE A 1 304 ? 36.895 57.057 -4.723 1.00 45.02 ? 322 ILE P CA 1 ATOM 2249 C C . ILE A 1 304 ? 37.978 56.411 -3.839 1.00 40.48 ? 322 ILE P C 1 ATOM 2250 O O . ILE A 1 304 ? 38.949 55.973 -4.445 1.00 37.17 ? 322 ILE P O 1 ATOM 2251 C CB . ILE A 1 304 ? 36.395 55.932 -5.652 1.00 47.00 ? 322 ILE P CB 1 ATOM 2252 C CG1 . ILE A 1 304 ? 35.095 56.330 -6.341 1.00 39.69 ? 322 ILE P CG1 1 ATOM 2253 C CG2 . ILE A 1 304 ? 36.213 54.591 -4.960 1.00 45.69 ? 322 ILE P CG2 1 ATOM 2254 C CD1 . ILE A 1 304 ? 35.076 55.594 -7.680 1.00 38.72 ? 322 ILE P CD1 1 ATOM 2255 N N . ALA A 1 305 ? 37.816 56.503 -2.542 1.00 30.68 ? 323 ALA P N 1 ATOM 2256 C CA . ALA A 1 305 ? 38.858 55.919 -1.745 1.00 40.71 ? 323 ALA P CA 1 ATOM 2257 C C . ALA A 1 305 ? 38.599 54.404 -1.604 1.00 48.72 ? 323 ALA P C 1 ATOM 2258 O O . ALA A 1 305 ? 37.498 53.858 -1.502 1.00 46.56 ? 323 ALA P O 1 ATOM 2259 C CB . ALA A 1 305 ? 38.638 56.534 -0.362 1.00 34.78 ? 323 ALA P CB 1 ATOM 2260 N N . PRO A 1 306 ? 39.687 53.678 -1.637 1.00 48.35 ? 324 PRO P N 1 ATOM 2261 C CA . PRO A 1 306 ? 39.675 52.291 -1.318 1.00 50.01 ? 324 PRO P CA 1 ATOM 2262 C C . PRO A 1 306 ? 38.851 51.977 -0.085 1.00 54.30 ? 324 PRO P C 1 ATOM 2263 O O . PRO A 1 306 ? 39.177 52.393 1.028 1.00 58.09 ? 324 PRO P O 1 ATOM 2264 C CB . PRO A 1 306 ? 41.127 52.074 -0.837 1.00 52.17 ? 324 PRO P CB 1 ATOM 2265 C CG . PRO A 1 306 ? 41.918 53.039 -1.632 1.00 46.44 ? 324 PRO P CG 1 ATOM 2266 C CD . PRO A 1 306 ? 41.045 54.254 -1.710 1.00 45.46 ? 324 PRO P CD 1 ATOM 2267 N N . GLY A 1 307 ? 37.913 51.038 -0.221 1.00 59.05 ? 325 GLY P N 1 ATOM 2268 C CA . GLY A 1 307 ? 37.085 50.498 0.835 1.00 48.72 ? 325 GLY P CA 1 ATOM 2269 C C . GLY A 1 307 ? 36.149 49.372 0.417 1.00 48.57 ? 325 GLY P C 1 ATOM 2270 O O . GLY A 1 307 ? 36.202 48.716 -0.625 1.00 47.93 ? 325 GLY P O 1 ATOM 2271 N N . VAL A 1 308 ? 35.215 49.101 1.322 1.00 42.23 ? 326 VAL P N 1 ATOM 2272 C CA . VAL A 1 308 ? 34.184 48.137 1.341 1.00 37.22 ? 326 VAL P CA 1 ATOM 2273 C C . VAL A 1 308 ? 32.862 48.739 1.766 1.00 40.10 ? 326 VAL P C 1 ATOM 2274 O O . VAL A 1 308 ? 32.812 49.157 2.906 1.00 44.39 ? 326 VAL P O 1 ATOM 2275 C CB . VAL A 1 308 ? 34.533 46.933 2.247 1.00 33.68 ? 326 VAL P CB 1 ATOM 2276 C CG1 . VAL A 1 308 ? 33.466 45.851 2.041 1.00 41.16 ? 326 VAL P CG1 1 ATOM 2277 C CG2 . VAL A 1 308 ? 35.772 46.177 1.676 1.00 33.37 ? 326 VAL P CG2 1 ATOM 2278 N N . THR A 1 309 ? 31.846 48.930 0.943 1.00 33.28 ? 327 THR P N 1 ATOM 2279 C CA . THR A 1 309 ? 30.558 49.360 1.361 1.00 37.45 ? 327 THR P CA 1 ATOM 2280 C C . THR A 1 309 ? 29.600 48.105 1.303 1.00 43.90 ? 327 THR P C 1 ATOM 2281 O O . THR A 1 309 ? 29.435 47.396 0.270 1.00 36.82 ? 327 THR P O 1 ATOM 2282 C CB . THR A 1 309 ? 29.705 50.118 0.336 1.00 31.71 ? 327 THR P CB 1 ATOM 2283 O OG1 . THR A 1 309 ? 30.533 50.169 -0.797 1.00 37.82 ? 327 THR P OG1 1 ATOM 2284 C CG2 . THR A 1 309 ? 28.958 51.271 0.775 1.00 20.81 ? 327 THR P CG2 1 ATOM 2285 N N . HIS A 1 310 ? 28.659 48.179 2.217 1.00 35.36 ? 328 HIS P N 1 ATOM 2286 C CA . HIS A 1 310 ? 27.534 47.317 2.454 1.00 30.53 ? 328 HIS P CA 1 ATOM 2287 C C . HIS A 1 310 ? 26.318 48.130 2.118 1.00 27.77 ? 328 HIS P C 1 ATOM 2288 O O . HIS A 1 310 ? 25.192 47.675 2.050 1.00 33.07 ? 328 HIS P O 1 ATOM 2289 C CB . HIS A 1 310 ? 27.448 46.863 3.887 1.00 26.49 ? 328 HIS P CB 1 ATOM 2290 C CG . HIS A 1 310 ? 28.666 46.140 4.385 1.00 22.44 ? 328 HIS P CG 1 ATOM 2291 N ND1 . HIS A 1 310 ? 29.249 46.432 5.579 1.00 25.96 ? 328 HIS P ND1 1 ATOM 2292 C CD2 . HIS A 1 310 ? 29.356 45.081 3.940 1.00 23.40 ? 328 HIS P CD2 1 ATOM 2293 C CE1 . HIS A 1 310 ? 30.233 45.593 5.932 1.00 20.53 ? 328 HIS P CE1 1 ATOM 2294 N NE2 . HIS A 1 310 ? 30.309 44.734 4.926 1.00 27.33 ? 328 HIS P NE2 1 ATOM 2295 N N . GLU A 1 311 ? 26.541 49.345 1.556 1.00 33.74 ? 329 GLU P N 1 ATOM 2296 C CA . GLU A 1 311 ? 25.249 50.028 1.206 1.00 34.14 ? 329 GLU P CA 1 ATOM 2297 C C . GLU A 1 311 ? 24.474 49.410 0.093 1.00 35.30 ? 329 GLU P C 1 ATOM 2298 O O . GLU A 1 311 ? 25.097 48.819 -0.803 1.00 31.40 ? 329 GLU P O 1 ATOM 2299 C CB . GLU A 1 311 ? 25.471 51.535 1.165 1.00 39.35 ? 329 GLU P CB 1 ATOM 2300 C CG . GLU A 1 311 ? 25.391 51.914 2.702 1.00 45.45 ? 329 GLU P CG 1 ATOM 2301 C CD . GLU A 1 311 ? 25.764 53.385 2.668 1.00 59.63 ? 329 GLU P CD 1 ATOM 2302 O OE1 . GLU A 1 311 ? 24.806 54.019 2.154 1.00 62.78 ? 329 GLU P OE1 1 ATOM 2303 O OE2 . GLU A 1 311 ? 26.916 53.703 3.072 1.00 59.20 ? 329 GLU P OE2 1 ATOM 2304 N N . LEU A 1 312 ? 23.116 49.563 0.130 1.00 29.60 ? 330 LEU P N 1 ATOM 2305 C CA . LEU A 1 312 ? 22.396 49.023 -1.046 1.00 28.91 ? 330 LEU P CA 1 ATOM 2306 C C . LEU A 1 312 ? 22.741 49.733 -2.325 1.00 34.71 ? 330 LEU P C 1 ATOM 2307 O O . LEU A 1 312 ? 22.672 50.936 -2.539 1.00 38.74 ? 330 LEU P O 1 ATOM 2308 C CB . LEU A 1 312 ? 20.873 48.933 -0.832 1.00 23.56 ? 330 LEU P CB 1 ATOM 2309 C CG . LEU A 1 312 ? 20.518 48.159 0.475 1.00 29.56 ? 330 LEU P CG 1 ATOM 2310 C CD1 . LEU A 1 312 ? 19.034 47.904 0.504 1.00 30.14 ? 330 LEU P CD1 1 ATOM 2311 C CD2 . LEU A 1 312 ? 21.283 46.834 0.630 1.00 26.57 ? 330 LEU P CD2 1 ATOM 2312 N N . ALA A 1 313 ? 22.901 48.983 -3.415 1.00 39.67 ? 331 ALA P N 1 ATOM 2313 C CA . ALA A 1 313 ? 23.089 49.392 -4.781 1.00 37.47 ? 331 ALA P CA 1 ATOM 2314 C C . ALA A 1 313 ? 22.518 48.355 -5.771 1.00 40.35 ? 331 ALA P C 1 ATOM 2315 O O . ALA A 1 313 ? 22.563 47.144 -5.604 1.00 46.63 ? 331 ALA P O 1 ATOM 2316 C CB . ALA A 1 313 ? 24.563 49.701 -5.061 1.00 31.40 ? 331 ALA P CB 1 ATOM 2317 N N . SER A 1 314 ? 22.138 48.828 -6.932 1.00 34.26 ? 332 SER P N 1 ATOM 2318 C CA . SER A 1 314 ? 21.648 48.165 -8.081 1.00 35.01 ? 332 SER P CA 1 ATOM 2319 C C . SER A 1 314 ? 22.220 48.623 -9.430 1.00 39.36 ? 332 SER P C 1 ATOM 2320 O O . SER A 1 314 ? 22.566 49.770 -9.697 1.00 38.84 ? 332 SER P O 1 ATOM 2321 C CB . SER A 1 314 ? 20.148 48.513 -8.197 1.00 32.18 ? 332 SER P CB 1 ATOM 2322 O OG . SER A 1 314 ? 19.631 47.557 -9.068 1.00 27.58 ? 332 SER P OG 1 ATOM 2323 N N . SER A 1 315 ? 22.244 47.720 -10.404 1.00 38.16 ? 333 SER P N 1 ATOM 2324 C CA . SER A 1 315 ? 22.643 48.000 -11.797 1.00 34.18 ? 333 SER P CA 1 ATOM 2325 C C . SER A 1 315 ? 21.640 49.031 -12.282 1.00 35.51 ? 333 SER P C 1 ATOM 2326 O O . SER A 1 315 ? 21.828 49.821 -13.194 1.00 36.64 ? 333 SER P O 1 ATOM 2327 C CB . SER A 1 315 ? 22.543 46.721 -12.633 1.00 35.04 ? 333 SER P CB 1 ATOM 2328 O OG . SER A 1 315 ? 21.234 46.151 -12.611 1.00 30.50 ? 333 SER P OG 1 ATOM 2329 N N . LEU A 1 316 ? 20.448 49.066 -11.710 1.00 34.83 ? 334 LEU P N 1 ATOM 2330 C CA . LEU A 1 316 ? 19.406 50.012 -12.061 1.00 35.55 ? 334 LEU P CA 1 ATOM 2331 C C . LEU A 1 316 ? 19.880 51.432 -11.730 1.00 41.56 ? 334 LEU P C 1 ATOM 2332 O O . LEU A 1 316 ? 19.393 52.470 -12.194 1.00 40.08 ? 334 LEU P O 1 ATOM 2333 C CB . LEU A 1 316 ? 18.242 49.636 -11.187 1.00 33.43 ? 334 LEU P CB 1 ATOM 2334 C CG . LEU A 1 316 ? 16.927 49.078 -11.648 1.00 36.94 ? 334 LEU P CG 1 ATOM 2335 C CD1 . LEU A 1 316 ? 16.826 48.734 -13.111 1.00 28.25 ? 334 LEU P CD1 1 ATOM 2336 C CD2 . LEU A 1 316 ? 16.470 47.912 -10.768 1.00 33.98 ? 334 LEU P CD2 1 ATOM 2337 N N . ASP A 1 317 ? 20.861 51.577 -10.841 1.00 36.76 ? 335 ASP P N 1 ATOM 2338 C CA . ASP A 1 317 ? 21.283 52.884 -10.405 1.00 35.75 ? 335 ASP P CA 1 ATOM 2339 C C . ASP A 1 317 ? 22.399 53.439 -11.302 1.00 41.90 ? 335 ASP P C 1 ATOM 2340 O O . ASP A 1 317 ? 22.810 54.612 -11.127 1.00 40.56 ? 335 ASP P O 1 ATOM 2341 C CB . ASP A 1 317 ? 21.770 52.684 -8.959 1.00 35.35 ? 335 ASP P CB 1 ATOM 2342 C CG . ASP A 1 317 ? 20.690 52.388 -7.944 1.00 32.78 ? 335 ASP P CG 1 ATOM 2343 O OD1 . ASP A 1 317 ? 19.604 52.947 -8.178 1.00 29.60 ? 335 ASP P OD1 1 ATOM 2344 O OD2 . ASP A 1 317 ? 20.924 51.661 -6.951 1.00 26.70 ? 335 ASP P OD2 1 ATOM 2345 N N . LEU A 1 318 ? 22.965 52.680 -12.213 1.00 37.31 ? 336 LEU P N 1 ATOM 2346 C CA . LEU A 1 318 ? 24.033 53.121 -13.091 1.00 42.81 ? 336 LEU P CA 1 ATOM 2347 C C . LEU A 1 318 ? 23.651 54.240 -14.057 1.00 42.21 ? 336 LEU P C 1 ATOM 2348 O O . LEU A 1 318 ? 24.375 55.262 -14.035 1.00 38.45 ? 336 LEU P O 1 ATOM 2349 C CB . LEU A 1 318 ? 24.675 51.865 -13.749 1.00 35.56 ? 336 LEU P CB 1 ATOM 2350 C CG . LEU A 1 318 ? 25.892 51.361 -12.962 1.00 40.58 ? 336 LEU P CG 1 ATOM 2351 C CD1 . LEU A 1 318 ? 25.722 51.487 -11.458 1.00 42.69 ? 336 LEU P CD1 1 ATOM 2352 C CD2 . LEU A 1 318 ? 26.255 49.930 -13.343 1.00 38.40 ? 336 LEU P CD2 1 ATOM 2353 N N . LEU A 1 319 ? 22.560 54.189 -14.828 1.00 39.07 ? 337 LEU P N 1 ATOM 2354 C CA . LEU A 1 319 ? 22.316 55.368 -15.723 1.00 41.29 ? 337 LEU P CA 1 ATOM 2355 C C . LEU A 1 319 ? 22.325 56.699 -14.967 1.00 46.29 ? 337 LEU P C 1 ATOM 2356 O O . LEU A 1 319 ? 23.260 57.513 -15.046 1.00 48.05 ? 337 LEU P O 1 ATOM 2357 C CB . LEU A 1 319 ? 21.107 55.036 -16.478 1.00 34.95 ? 337 LEU P CB 1 ATOM 2358 C CG . LEU A 1 319 ? 19.969 55.807 -17.040 1.00 44.10 ? 337 LEU P CG 1 ATOM 2359 C CD1 . LEU A 1 319 ? 19.999 57.297 -16.769 1.00 38.91 ? 337 LEU P CD1 1 ATOM 2360 C CD2 . LEU A 1 319 ? 19.782 55.497 -18.519 1.00 35.99 ? 337 LEU P CD2 1 ATOM 2361 N N . PRO A 1 320 ? 21.434 56.872 -13.989 1.00 46.55 ? 338 PRO P N 1 ATOM 2362 C CA . PRO A 1 320 ? 21.389 58.044 -13.130 1.00 46.61 ? 338 PRO P CA 1 ATOM 2363 C C . PRO A 1 320 ? 22.675 58.411 -12.438 1.00 40.54 ? 338 PRO P C 1 ATOM 2364 O O . PRO A 1 320 ? 22.996 59.591 -12.331 1.00 48.47 ? 338 PRO P O 1 ATOM 2365 C CB . PRO A 1 320 ? 20.274 57.813 -12.120 1.00 41.48 ? 338 PRO P CB 1 ATOM 2366 C CG . PRO A 1 320 ? 19.828 56.401 -12.358 1.00 38.12 ? 338 PRO P CG 1 ATOM 2367 C CD . PRO A 1 320 ? 20.312 55.951 -13.684 1.00 36.57 ? 338 PRO P CD 1 ATOM 2368 N N . THR A 1 321 ? 23.524 57.542 -12.033 1.00 41.92 ? 339 THR P N 1 ATOM 2369 C CA . THR A 1 321 ? 24.759 57.920 -11.338 1.00 41.27 ? 339 THR P CA 1 ATOM 2370 C C . THR A 1 321 ? 25.692 58.539 -12.356 1.00 48.60 ? 339 THR P C 1 ATOM 2371 O O . THR A 1 321 ? 26.364 59.515 -12.130 1.00 55.46 ? 339 THR P O 1 ATOM 2372 C CB . THR A 1 321 ? 25.340 56.621 -10.754 1.00 35.67 ? 339 THR P CB 1 ATOM 2373 O OG1 . THR A 1 321 ? 24.351 56.020 -9.901 1.00 37.28 ? 339 THR P OG1 1 ATOM 2374 C CG2 . THR A 1 321 ? 26.566 56.876 -9.958 1.00 31.54 ? 339 THR P CG2 1 ATOM 2375 N N . LEU A 1 322 ? 25.854 57.822 -13.459 1.00 51.93 ? 340 LEU P N 1 ATOM 2376 C CA . LEU A 1 322 ? 26.737 58.223 -14.551 1.00 50.93 ? 340 LEU P CA 1 ATOM 2377 C C . LEU A 1 322 ? 26.212 59.524 -15.160 1.00 53.09 ? 340 LEU P C 1 ATOM 2378 O O . LEU A 1 322 ? 26.955 60.506 -15.187 1.00 54.61 ? 340 LEU P O 1 ATOM 2379 C CB . LEU A 1 322 ? 26.775 57.004 -15.471 1.00 46.17 ? 340 LEU P CB 1 ATOM 2380 C CG . LEU A 1 322 ? 27.598 55.798 -14.981 1.00 42.32 ? 340 LEU P CG 1 ATOM 2381 C CD1 . LEU A 1 322 ? 27.743 54.832 -16.179 1.00 39.03 ? 340 LEU P CD1 1 ATOM 2382 C CD2 . LEU A 1 322 ? 28.960 56.127 -14.377 1.00 33.22 ? 340 LEU P CD2 1 ATOM 2383 N N . ALA A 1 323 ? 24.946 59.683 -15.542 1.00 46.36 ? 341 ALA P N 1 ATOM 2384 C CA . ALA A 1 323 ? 24.348 60.936 -15.923 1.00 43.00 ? 341 ALA P CA 1 ATOM 2385 C C . ALA A 1 323 ? 24.765 62.028 -14.911 1.00 47.80 ? 341 ALA P C 1 ATOM 2386 O O . ALA A 1 323 ? 25.440 62.988 -15.231 1.00 46.57 ? 341 ALA P O 1 ATOM 2387 C CB . ALA A 1 323 ? 22.851 60.858 -15.740 1.00 36.35 ? 341 ALA P CB 1 ATOM 2388 N N . ALA A 1 324 ? 24.476 61.914 -13.634 1.00 51.99 ? 342 ALA P N 1 ATOM 2389 C CA . ALA A 1 324 ? 24.927 62.853 -12.635 1.00 50.75 ? 342 ALA P CA 1 ATOM 2390 C C . ALA A 1 324 ? 26.414 63.160 -12.794 1.00 54.42 ? 342 ALA P C 1 ATOM 2391 O O . ALA A 1 324 ? 26.817 64.328 -12.930 1.00 61.78 ? 342 ALA P O 1 ATOM 2392 C CB . ALA A 1 324 ? 24.708 62.398 -11.201 1.00 47.64 ? 342 ALA P CB 1 ATOM 2393 N N . LEU A 1 325 ? 27.265 62.172 -12.776 1.00 56.62 ? 343 LEU P N 1 ATOM 2394 C CA . LEU A 1 325 ? 28.703 62.312 -12.800 1.00 58.38 ? 343 LEU P CA 1 ATOM 2395 C C . LEU A 1 325 ? 29.217 63.026 -14.062 1.00 64.07 ? 343 LEU P C 1 ATOM 2396 O O . LEU A 1 325 ? 30.412 63.395 -14.039 1.00 65.75 ? 343 LEU P O 1 ATOM 2397 C CB . LEU A 1 325 ? 29.341 60.927 -12.759 1.00 55.79 ? 343 LEU P CB 1 ATOM 2398 C CG . LEU A 1 325 ? 30.302 60.544 -11.662 1.00 62.08 ? 343 LEU P CG 1 ATOM 2399 C CD1 . LEU A 1 325 ? 30.227 61.458 -10.458 1.00 60.86 ? 343 LEU P CD1 1 ATOM 2400 C CD2 . LEU A 1 325 ? 30.101 59.077 -11.256 1.00 60.74 ? 343 LEU P CD2 1 ATOM 2401 N N . ALA A 1 326 ? 28.436 63.047 -15.136 1.00 55.43 ? 344 ALA P N 1 ATOM 2402 C CA . ALA A 1 326 ? 28.883 63.623 -16.390 1.00 58.78 ? 344 ALA P CA 1 ATOM 2403 C C . ALA A 1 326 ? 28.118 64.906 -16.712 1.00 58.92 ? 344 ALA P C 1 ATOM 2404 O O . ALA A 1 326 ? 27.949 65.466 -17.778 1.00 57.22 ? 344 ALA P O 1 ATOM 2405 C CB . ALA A 1 326 ? 28.584 62.572 -17.462 1.00 49.10 ? 344 ALA P CB 1 ATOM 2406 N N . GLY A 1 327 ? 27.339 65.387 -15.763 1.00 59.05 ? 345 GLY P N 1 ATOM 2407 C CA . GLY A 1 327 ? 26.459 66.514 -15.876 1.00 60.40 ? 345 GLY P CA 1 ATOM 2408 C C . GLY A 1 327 ? 25.526 66.392 -17.071 1.00 64.21 ? 345 GLY P C 1 ATOM 2409 O O . GLY A 1 327 ? 25.124 67.410 -17.647 1.00 60.28 ? 345 GLY P O 1 ATOM 2410 N N . ALA A 1 328 ? 25.095 65.189 -17.428 1.00 67.11 ? 346 ALA P N 1 ATOM 2411 C CA . ALA A 1 328 ? 24.139 64.965 -18.484 1.00 63.05 ? 346 ALA P CA 1 ATOM 2412 C C . ALA A 1 328 ? 22.788 64.814 -17.815 1.00 68.99 ? 346 ALA P C 1 ATOM 2413 O O . ALA A 1 328 ? 22.635 64.375 -16.676 1.00 71.59 ? 346 ALA P O 1 ATOM 2414 C CB . ALA A 1 328 ? 24.426 63.708 -19.253 1.00 62.35 ? 346 ALA P CB 1 ATOM 2415 N N . PRO A 1 329 ? 21.790 65.226 -18.555 1.00 72.01 ? 347 PRO P N 1 ATOM 2416 C CA . PRO A 1 329 ? 20.425 65.219 -18.039 1.00 74.94 ? 347 PRO P CA 1 ATOM 2417 C C . PRO A 1 329 ? 19.707 63.913 -18.321 1.00 72.12 ? 347 PRO P C 1 ATOM 2418 O O . PRO A 1 329 ? 19.816 63.293 -19.374 1.00 74.45 ? 347 PRO P O 1 ATOM 2419 C CB . PRO A 1 329 ? 19.804 66.444 -18.715 1.00 71.27 ? 347 PRO P CB 1 ATOM 2420 C CG . PRO A 1 329 ? 20.466 66.475 -20.032 1.00 73.67 ? 347 PRO P CG 1 ATOM 2421 C CD . PRO A 1 329 ? 21.854 65.890 -19.853 1.00 72.31 ? 347 PRO P CD 1 ATOM 2422 N N . LEU A 1 330 ? 18.876 63.556 -17.335 1.00 69.60 ? 348 LEU P N 1 ATOM 2423 C CA . LEU A 1 330 ? 18.099 62.341 -17.366 1.00 64.63 ? 348 LEU P CA 1 ATOM 2424 C C . LEU A 1 330 ? 16.903 62.430 -18.289 1.00 62.39 ? 348 LEU P C 1 ATOM 2425 O O . LEU A 1 330 ? 16.120 63.347 -18.393 1.00 61.21 ? 348 LEU P O 1 ATOM 2426 C CB . LEU A 1 330 ? 17.562 61.902 -15.995 1.00 60.58 ? 348 LEU P CB 1 ATOM 2427 C CG . LEU A 1 330 ? 18.591 61.809 -14.854 1.00 62.64 ? 348 LEU P CG 1 ATOM 2428 C CD1 . LEU A 1 330 ? 17.904 61.640 -13.513 1.00 56.78 ? 348 LEU P CD1 1 ATOM 2429 C CD2 . LEU A 1 330 ? 19.629 60.732 -15.186 1.00 59.54 ? 348 LEU P CD2 1 ATOM 2430 N N . PRO A 1 331 ? 16.681 61.283 -18.923 1.00 64.01 ? 349 PRO P N 1 ATOM 2431 C CA . PRO A 1 331 ? 15.524 61.177 -19.805 1.00 60.50 ? 349 PRO P CA 1 ATOM 2432 C C . PRO A 1 331 ? 14.314 61.552 -18.976 1.00 61.47 ? 349 PRO P C 1 ATOM 2433 O O . PRO A 1 331 ? 14.240 61.439 -17.763 1.00 59.14 ? 349 PRO P O 1 ATOM 2434 C CB . PRO A 1 331 ? 15.570 59.742 -20.292 1.00 56.42 ? 349 PRO P CB 1 ATOM 2435 C CG . PRO A 1 331 ? 16.542 59.069 -19.409 1.00 57.12 ? 349 PRO P CG 1 ATOM 2436 C CD . PRO A 1 331 ? 17.509 60.054 -18.841 1.00 56.66 ? 349 PRO P CD 1 ATOM 2437 N N . ASN A 1 332 ? 13.241 61.925 -19.630 1.00 71.41 ? 350 ASN P N 1 ATOM 2438 C CA . ASN A 1 332 ? 11.950 62.330 -19.113 1.00 73.59 ? 350 ASN P CA 1 ATOM 2439 C C . ASN A 1 332 ? 11.124 61.047 -18.999 1.00 78.50 ? 350 ASN P C 1 ATOM 2440 O O . ASN A 1 332 ? 10.048 60.980 -19.625 1.00 84.10 ? 350 ASN P O 1 ATOM 2441 N N . VAL A 1 333 ? 11.683 60.053 -18.284 1.00 73.54 ? 351 VAL P N 1 ATOM 2442 C CA . VAL A 1 333 ? 10.948 58.815 -18.079 1.00 65.33 ? 351 VAL P CA 1 ATOM 2443 C C . VAL A 1 333 ? 11.026 58.355 -16.628 1.00 58.10 ? 351 VAL P C 1 ATOM 2444 O O . VAL A 1 333 ? 11.999 58.726 -15.974 1.00 55.35 ? 351 VAL P O 1 ATOM 2445 C CB . VAL A 1 333 ? 11.420 57.541 -18.824 1.00 59.76 ? 351 VAL P CB 1 ATOM 2446 C CG1 . VAL A 1 333 ? 10.575 57.461 -20.059 1.00 57.10 ? 351 VAL P CG1 1 ATOM 2447 C CG2 . VAL A 1 333 ? 12.915 57.604 -19.024 1.00 59.99 ? 351 VAL P CG2 1 ATOM 2448 N N . THR A 1 334 ? 10.055 57.460 -16.355 1.00 52.18 ? 352 THR P N 1 ATOM 2449 C CA . THR A 1 334 ? 10.152 56.920 -14.978 1.00 46.50 ? 352 THR P CA 1 ATOM 2450 C C . THR A 1 334 ? 11.272 55.884 -15.003 1.00 44.71 ? 352 THR P C 1 ATOM 2451 O O . THR A 1 334 ? 11.496 55.034 -15.880 1.00 44.01 ? 352 THR P O 1 ATOM 2452 C CB . THR A 1 334 ? 8.823 56.560 -14.376 1.00 50.02 ? 352 THR P CB 1 ATOM 2453 O OG1 . THR A 1 334 ? 8.834 55.199 -13.915 1.00 61.68 ? 352 THR P OG1 1 ATOM 2454 C CG2 . THR A 1 334 ? 7.593 56.677 -15.238 1.00 46.44 ? 352 THR P CG2 1 ATOM 2455 N N . LEU A 1 335 ? 12.187 56.044 -14.095 1.00 33.63 ? 353 LEU P N 1 ATOM 2456 C CA . LEU A 1 335 ? 13.396 55.429 -13.696 1.00 42.11 ? 353 LEU P CA 1 ATOM 2457 C C . LEU A 1 335 ? 13.262 54.691 -12.370 1.00 44.54 ? 353 LEU P C 1 ATOM 2458 O O . LEU A 1 335 ? 12.662 55.229 -11.419 1.00 39.09 ? 353 LEU P O 1 ATOM 2459 C CB . LEU A 1 335 ? 14.572 56.445 -13.449 1.00 37.29 ? 353 LEU P CB 1 ATOM 2460 C CG . LEU A 1 335 ? 14.949 57.198 -14.749 1.00 41.35 ? 353 LEU P CG 1 ATOM 2461 C CD1 . LEU A 1 335 ? 16.242 58.003 -14.650 1.00 40.17 ? 353 LEU P CD1 1 ATOM 2462 C CD2 . LEU A 1 335 ? 15.009 56.299 -15.956 1.00 40.52 ? 353 LEU P CD2 1 ATOM 2463 N N . ASP A 1 336 ? 13.934 53.524 -12.260 1.00 44.42 ? 354 ASP P N 1 ATOM 2464 C CA . ASP A 1 336 ? 13.802 52.814 -10.960 1.00 34.81 ? 354 ASP P CA 1 ATOM 2465 C C . ASP A 1 336 ? 15.107 52.844 -10.209 1.00 30.06 ? 354 ASP P C 1 ATOM 2466 O O . ASP A 1 336 ? 15.257 52.163 -9.205 1.00 36.95 ? 354 ASP P O 1 ATOM 2467 C CB . ASP A 1 336 ? 13.298 51.420 -11.200 1.00 37.22 ? 354 ASP P CB 1 ATOM 2468 C CG . ASP A 1 336 ? 12.003 51.360 -11.954 1.00 37.45 ? 354 ASP P CG 1 ATOM 2469 O OD1 . ASP A 1 336 ? 10.946 51.908 -11.592 1.00 44.38 ? 354 ASP P OD1 1 ATOM 2470 O OD2 . ASP A 1 336 ? 12.003 50.691 -12.989 1.00 36.89 ? 354 ASP P OD2 1 ATOM 2471 N N . GLY A 1 337 ? 16.083 53.641 -10.601 1.00 30.29 ? 355 GLY P N 1 ATOM 2472 C CA . GLY A 1 337 ? 17.351 53.690 -9.862 1.00 32.31 ? 355 GLY P CA 1 ATOM 2473 C C . GLY A 1 337 ? 17.587 55.092 -9.347 1.00 37.56 ? 355 GLY P C 1 ATOM 2474 O O . GLY A 1 337 ? 16.762 55.998 -9.286 1.00 47.46 ? 355 GLY P O 1 ATOM 2475 N N . PHE A 1 338 ? 18.737 55.307 -8.760 1.00 38.33 ? 356 PHE P N 1 ATOM 2476 C CA . PHE A 1 338 ? 19.076 56.500 -8.064 1.00 34.13 ? 356 PHE P CA 1 ATOM 2477 C C . PHE A 1 338 ? 20.527 56.860 -8.352 1.00 37.35 ? 356 PHE P C 1 ATOM 2478 O O . PHE A 1 338 ? 21.273 55.929 -8.632 1.00 38.68 ? 356 PHE P O 1 ATOM 2479 C CB . PHE A 1 338 ? 19.137 56.210 -6.528 1.00 39.42 ? 356 PHE P CB 1 ATOM 2480 C CG . PHE A 1 338 ? 17.820 55.732 -6.028 1.00 40.38 ? 356 PHE P CG 1 ATOM 2481 C CD1 . PHE A 1 338 ? 16.803 56.623 -5.754 1.00 41.05 ? 356 PHE P CD1 1 ATOM 2482 C CD2 . PHE A 1 338 ? 17.548 54.358 -5.916 1.00 41.71 ? 356 PHE P CD2 1 ATOM 2483 C CE1 . PHE A 1 338 ? 15.584 56.164 -5.281 1.00 46.11 ? 356 PHE P CE1 1 ATOM 2484 C CE2 . PHE A 1 338 ? 16.286 53.895 -5.512 1.00 38.78 ? 356 PHE P CE2 1 ATOM 2485 C CZ . PHE A 1 338 ? 15.315 54.813 -5.166 1.00 41.77 ? 356 PHE P CZ 1 ATOM 2486 N N . ASP A 1 339 ? 20.853 58.120 -8.021 1.00 41.47 ? 357 ASP P N 1 ATOM 2487 C CA . ASP A 1 339 ? 22.234 58.541 -8.203 1.00 41.76 ? 357 ASP P CA 1 ATOM 2488 C C . ASP A 1 339 ? 23.062 58.080 -7.031 1.00 39.04 ? 357 ASP P C 1 ATOM 2489 O O . ASP A 1 339 ? 22.927 58.604 -5.920 1.00 46.60 ? 357 ASP P O 1 ATOM 2490 C CB . ASP A 1 339 ? 22.259 60.056 -8.426 1.00 37.83 ? 357 ASP P CB 1 ATOM 2491 C CG . ASP A 1 339 ? 23.611 60.694 -8.320 1.00 44.49 ? 357 ASP P CG 1 ATOM 2492 O OD1 . ASP A 1 339 ? 24.649 59.997 -8.282 1.00 45.56 ? 357 ASP P OD1 1 ATOM 2493 O OD2 . ASP A 1 339 ? 23.765 61.935 -8.176 1.00 51.96 ? 357 ASP P OD2 1 ATOM 2494 N N . LEU A 1 340 ? 24.068 57.266 -7.241 1.00 39.97 ? 358 LEU P N 1 ATOM 2495 C CA . LEU A 1 340 ? 24.922 56.805 -6.116 1.00 39.39 ? 358 LEU P CA 1 ATOM 2496 C C . LEU A 1 340 ? 26.181 57.607 -5.960 1.00 40.34 ? 358 LEU P C 1 ATOM 2497 O O . LEU A 1 340 ? 27.032 57.266 -5.100 1.00 44.19 ? 358 LEU P O 1 ATOM 2498 C CB . LEU A 1 340 ? 25.345 55.362 -6.468 1.00 38.75 ? 358 LEU P CB 1 ATOM 2499 C CG . LEU A 1 340 ? 24.319 54.234 -6.413 1.00 43.57 ? 358 LEU P CG 1 ATOM 2500 C CD1 . LEU A 1 340 ? 25.085 52.905 -6.370 1.00 51.93 ? 358 LEU P CD1 1 ATOM 2501 C CD2 . LEU A 1 340 ? 23.377 54.297 -5.212 1.00 43.11 ? 358 LEU P CD2 1 ATOM 2502 N N . SER A 1 341 ? 26.320 58.733 -6.666 1.00 42.48 ? 359 SER P N 1 ATOM 2503 C CA . SER A 1 341 ? 27.584 59.516 -6.503 1.00 48.69 ? 359 SER P CA 1 ATOM 2504 C C . SER A 1 341 ? 28.036 59.923 -5.130 1.00 40.79 ? 359 SER P C 1 ATOM 2505 O O . SER A 1 341 ? 29.211 59.686 -4.764 1.00 41.84 ? 359 SER P O 1 ATOM 2506 C CB . SER A 1 341 ? 27.661 60.637 -7.530 1.00 48.59 ? 359 SER P CB 1 ATOM 2507 O OG . SER A 1 341 ? 26.352 61.185 -7.643 1.00 53.73 ? 359 SER P OG 1 ATOM 2508 N N . PRO A 1 342 ? 27.194 60.320 -4.203 1.00 41.51 ? 360 PRO P N 1 ATOM 2509 C CA . PRO A 1 342 ? 27.605 60.557 -2.820 1.00 41.22 ? 360 PRO P CA 1 ATOM 2510 C C . PRO A 1 342 ? 28.290 59.356 -2.238 1.00 45.87 ? 360 PRO P C 1 ATOM 2511 O O . PRO A 1 342 ? 29.379 59.464 -1.671 1.00 51.42 ? 360 PRO P O 1 ATOM 2512 C CB . PRO A 1 342 ? 26.334 60.864 -2.052 1.00 41.65 ? 360 PRO P CB 1 ATOM 2513 C CG . PRO A 1 342 ? 25.416 61.361 -3.126 1.00 41.87 ? 360 PRO P CG 1 ATOM 2514 C CD . PRO A 1 342 ? 25.765 60.634 -4.405 1.00 41.85 ? 360 PRO P CD 1 ATOM 2515 N N . LEU A 1 343 ? 27.662 58.156 -2.442 1.00 52.21 ? 361 LEU P N 1 ATOM 2516 C CA . LEU A 1 343 ? 28.313 56.926 -1.919 1.00 40.50 ? 361 LEU P CA 1 ATOM 2517 C C . LEU A 1 343 ? 29.631 56.738 -2.634 1.00 38.19 ? 361 LEU P C 1 ATOM 2518 O O . LEU A 1 343 ? 30.589 56.601 -1.890 1.00 42.22 ? 361 LEU P O 1 ATOM 2519 C CB . LEU A 1 343 ? 27.469 55.700 -2.053 1.00 45.27 ? 361 LEU P CB 1 ATOM 2520 C CG . LEU A 1 343 ? 28.179 54.378 -1.761 1.00 49.56 ? 361 LEU P CG 1 ATOM 2521 C CD1 . LEU A 1 343 ? 28.180 54.184 -0.250 1.00 47.87 ? 361 LEU P CD1 1 ATOM 2522 C CD2 . LEU A 1 343 ? 27.490 53.262 -2.536 1.00 37.00 ? 361 LEU P CD2 1 ATOM 2523 N N . LEU A 1 344 ? 29.663 56.855 -3.962 1.00 39.36 ? 362 LEU P N 1 ATOM 2524 C CA . LEU A 1 344 ? 30.975 56.696 -4.600 1.00 42.27 ? 362 LEU P CA 1 ATOM 2525 C C . LEU A 1 344 ? 32.052 57.631 -4.119 1.00 46.55 ? 362 LEU P C 1 ATOM 2526 O O . LEU A 1 344 ? 33.196 57.212 -3.987 1.00 53.18 ? 362 LEU P O 1 ATOM 2527 C CB . LEU A 1 344 ? 30.779 56.971 -6.092 1.00 44.86 ? 362 LEU P CB 1 ATOM 2528 C CG . LEU A 1 344 ? 30.661 55.764 -7.036 1.00 46.54 ? 362 LEU P CG 1 ATOM 2529 C CD1 . LEU A 1 344 ? 29.787 54.713 -6.416 1.00 39.83 ? 362 LEU P CD1 1 ATOM 2530 C CD2 . LEU A 1 344 ? 30.021 56.136 -8.381 1.00 49.39 ? 362 LEU P CD2 1 ATOM 2531 N N . LEU A 1 345 ? 31.717 58.910 -3.941 1.00 46.82 ? 363 LEU P N 1 ATOM 2532 C CA . LEU A 1 345 ? 32.658 59.945 -3.606 1.00 50.30 ? 363 LEU P CA 1 ATOM 2533 C C . LEU A 1 345 ? 32.827 60.149 -2.125 1.00 59.27 ? 363 LEU P C 1 ATOM 2534 O O . LEU A 1 345 ? 33.661 60.956 -1.734 1.00 64.83 ? 363 LEU P O 1 ATOM 2535 C CB . LEU A 1 345 ? 32.359 61.310 -4.233 1.00 44.75 ? 363 LEU P CB 1 ATOM 2536 C CG . LEU A 1 345 ? 31.911 61.198 -5.702 1.00 52.62 ? 363 LEU P CG 1 ATOM 2537 C CD1 . LEU A 1 345 ? 30.946 62.322 -6.003 1.00 47.85 ? 363 LEU P CD1 1 ATOM 2538 C CD2 . LEU A 1 345 ? 33.121 61.030 -6.611 1.00 49.36 ? 363 LEU P CD2 1 ATOM 2539 N N . GLY A 1 346 ? 32.072 59.444 -1.289 1.00 66.23 ? 364 GLY P N 1 ATOM 2540 C CA . GLY A 1 346 ? 32.329 59.415 0.127 1.00 60.54 ? 364 GLY P CA 1 ATOM 2541 C C . GLY A 1 346 ? 31.813 60.621 0.871 1.00 61.14 ? 364 GLY P C 1 ATOM 2542 O O . GLY A 1 346 ? 32.330 60.922 1.931 1.00 62.72 ? 364 GLY P O 1 ATOM 2543 N N . THR A 1 347 ? 30.780 61.215 0.309 1.00 58.86 ? 365 THR P N 1 ATOM 2544 C CA . THR A 1 347 ? 30.194 62.387 0.885 1.00 56.91 ? 365 THR P CA 1 ATOM 2545 C C . THR A 1 347 ? 28.757 62.081 1.230 1.00 61.36 ? 365 THR P C 1 ATOM 2546 O O . THR A 1 347 ? 27.991 63.050 1.319 1.00 71.00 ? 365 THR P O 1 ATOM 2547 C CB . THR A 1 347 ? 30.070 63.563 -0.113 1.00 53.96 ? 365 THR P CB 1 ATOM 2548 O OG1 . THR A 1 347 ? 29.064 63.266 -1.083 1.00 57.62 ? 365 THR P OG1 1 ATOM 2549 C CG2 . THR A 1 347 ? 31.358 63.864 -0.828 1.00 58.33 ? 365 THR P CG2 1 ATOM 2550 N N . GLY A 1 348 ? 28.403 60.816 1.177 1.00 65.42 ? 366 GLY P N 1 ATOM 2551 C CA . GLY A 1 348 ? 27.022 60.415 1.410 1.00 63.57 ? 366 GLY P CA 1 ATOM 2552 C C . GLY A 1 348 ? 26.808 58.906 1.556 1.00 62.33 ? 366 GLY P C 1 ATOM 2553 O O . GLY A 1 348 ? 27.687 58.019 1.530 1.00 57.25 ? 366 GLY P O 1 ATOM 2554 N N . LYS A 1 349 ? 25.503 58.694 1.749 1.00 52.40 ? 367 LYS P N 1 ATOM 2555 C CA . LYS A 1 349 ? 24.975 57.369 1.952 1.00 53.19 ? 367 LYS P CA 1 ATOM 2556 C C . LYS A 1 349 ? 24.296 56.942 0.655 1.00 51.73 ? 367 LYS P C 1 ATOM 2557 O O . LYS A 1 349 ? 23.984 57.853 -0.111 1.00 48.87 ? 367 LYS P O 1 ATOM 2558 C CB . LYS A 1 349 ? 23.885 57.396 3.032 1.00 53.91 ? 367 LYS P CB 1 ATOM 2559 C CG . LYS A 1 349 ? 24.287 56.448 4.147 1.00 68.78 ? 367 LYS P CG 1 ATOM 2560 C CD . LYS A 1 349 ? 24.595 57.110 5.473 1.00 74.34 ? 367 LYS P CD 1 ATOM 2561 C CE . LYS A 1 349 ? 23.952 56.327 6.608 1.00 85.50 ? 367 LYS P CE 1 ATOM 2562 N NZ . LYS A 1 349 ? 24.585 54.976 6.800 1.00 89.53 ? 367 LYS P NZ 1 ATOM 2563 N N . SER A 1 350 ? 23.886 55.672 0.549 1.00 47.50 ? 368 SER P N 1 ATOM 2564 C CA . SER A 1 350 ? 23.155 55.427 -0.713 1.00 46.39 ? 368 SER P CA 1 ATOM 2565 C C . SER A 1 350 ? 21.733 55.857 -0.387 1.00 36.65 ? 368 SER P C 1 ATOM 2566 O O . SER A 1 350 ? 21.235 55.532 0.674 1.00 35.70 ? 368 SER P O 1 ATOM 2567 C CB . SER A 1 350 ? 23.239 53.994 -1.247 1.00 39.34 ? 368 SER P CB 1 ATOM 2568 O OG . SER A 1 350 ? 21.996 53.676 -1.831 1.00 50.83 ? 368 SER P OG 1 ATOM 2569 N N . PRO A 1 351 ? 21.090 56.496 -1.329 1.00 29.40 ? 369 PRO P N 1 ATOM 2570 C CA . PRO A 1 351 ? 19.673 56.754 -1.238 1.00 33.27 ? 369 PRO P CA 1 ATOM 2571 C C . PRO A 1 351 ? 18.826 55.485 -1.340 1.00 35.83 ? 369 PRO P C 1 ATOM 2572 O O . PRO A 1 351 ? 17.603 55.629 -1.109 1.00 39.60 ? 369 PRO P O 1 ATOM 2573 C CB . PRO A 1 351 ? 19.305 57.546 -2.515 1.00 24.67 ? 369 PRO P CB 1 ATOM 2574 C CG . PRO A 1 351 ? 20.529 57.630 -3.302 1.00 20.86 ? 369 PRO P CG 1 ATOM 2575 C CD . PRO A 1 351 ? 21.647 56.832 -2.640 1.00 27.62 ? 369 PRO P CD 1 ATOM 2576 N N . ARG A 1 352 ? 19.305 54.368 -1.898 1.00 36.30 ? 370 ARG P N 1 ATOM 2577 C CA . ARG A 1 352 ? 18.430 53.192 -2.028 1.00 39.39 ? 370 ARG P CA 1 ATOM 2578 C C . ARG A 1 352 ? 18.189 52.400 -0.736 1.00 35.27 ? 370 ARG P C 1 ATOM 2579 O O . ARG A 1 352 ? 19.133 52.016 0.003 1.00 30.46 ? 370 ARG P O 1 ATOM 2580 C CB . ARG A 1 352 ? 19.114 52.261 -3.043 1.00 40.96 ? 370 ARG P CB 1 ATOM 2581 C CG . ARG A 1 352 ? 18.258 51.061 -3.429 1.00 43.32 ? 370 ARG P CG 1 ATOM 2582 C CD . ARG A 1 352 ? 18.940 50.167 -4.433 1.00 31.02 ? 370 ARG P CD 1 ATOM 2583 N NE . ARG A 1 352 ? 18.670 50.632 -5.791 1.00 27.66 ? 370 ARG P NE 1 ATOM 2584 C CZ . ARG A 1 352 ? 17.563 50.555 -6.475 1.00 33.60 ? 370 ARG P CZ 1 ATOM 2585 N NH1 . ARG A 1 352 ? 16.490 49.959 -5.970 1.00 35.05 ? 370 ARG P NH1 1 ATOM 2586 N NH2 . ARG A 1 352 ? 17.616 51.041 -7.733 1.00 33.84 ? 370 ARG P NH2 1 ATOM 2587 N N . GLN A 1 353 ? 16.961 52.182 -0.329 1.00 31.01 ? 371 GLN P N 1 ATOM 2588 C CA . GLN A 1 353 ? 16.560 51.394 0.816 1.00 46.77 ? 371 GLN P CA 1 ATOM 2589 C C . GLN A 1 353 ? 15.934 50.037 0.430 1.00 47.20 ? 371 GLN P C 1 ATOM 2590 O O . GLN A 1 353 ? 15.952 49.133 1.240 1.00 49.49 ? 371 GLN P O 1 ATOM 2591 C CB . GLN A 1 353 ? 15.510 52.077 1.674 1.00 61.35 ? 371 GLN P CB 1 ATOM 2592 C CG . GLN A 1 353 ? 15.583 53.584 1.748 1.00 80.59 ? 371 GLN P CG 1 ATOM 2593 C CD . GLN A 1 353 ? 16.545 54.091 2.787 1.00 91.01 ? 371 GLN P CD 1 ATOM 2594 O OE1 . GLN A 1 353 ? 17.257 53.336 3.467 1.00 96.93 ? 371 GLN P OE1 1 ATOM 2595 N NE2 . GLN A 1 353 ? 16.569 55.423 2.941 1.00 98.02 ? 371 GLN P NE2 1 ATOM 2596 N N . SER A 1 354 ? 15.226 49.931 -0.687 1.00 35.41 ? 372 SER P N 1 ATOM 2597 C CA . SER A 1 354 ? 14.611 48.749 -1.160 1.00 33.87 ? 372 SER P CA 1 ATOM 2598 C C . SER A 1 354 ? 15.095 48.312 -2.536 1.00 41.80 ? 372 SER P C 1 ATOM 2599 O O . SER A 1 354 ? 15.537 49.145 -3.388 1.00 36.72 ? 372 SER P O 1 ATOM 2600 C CB . SER A 1 354 ? 13.111 49.085 -1.222 1.00 29.14 ? 372 SER P CB 1 ATOM 2601 O OG . SER A 1 354 ? 12.831 49.515 0.096 1.00 40.86 ? 372 SER P OG 1 ATOM 2602 N N . LEU A 1 355 ? 14.881 46.986 -2.731 1.00 32.60 ? 373 LEU P N 1 ATOM 2603 C CA . LEU A 1 355 ? 15.128 46.348 -4.033 1.00 28.81 ? 373 LEU P CA 1 ATOM 2604 C C . LEU A 1 355 ? 13.996 45.407 -4.380 1.00 26.64 ? 373 LEU P C 1 ATOM 2605 O O . LEU A 1 355 ? 13.434 44.884 -3.412 1.00 34.45 ? 373 LEU P O 1 ATOM 2606 C CB . LEU A 1 355 ? 16.387 45.536 -4.083 1.00 30.66 ? 373 LEU P CB 1 ATOM 2607 C CG . LEU A 1 355 ? 17.685 46.321 -3.864 1.00 32.97 ? 373 LEU P CG 1 ATOM 2608 C CD1 . LEU A 1 355 ? 18.496 45.682 -2.772 1.00 34.15 ? 373 LEU P CD1 1 ATOM 2609 C CD2 . LEU A 1 355 ? 18.408 46.267 -5.225 1.00 32.98 ? 373 LEU P CD2 1 ATOM 2610 N N . PHE A 1 356 ? 13.526 45.358 -5.573 1.00 31.71 ? 374 PHE P N 1 ATOM 2611 C CA . PHE A 1 356 ? 12.408 44.533 -6.044 1.00 34.97 ? 374 PHE P CA 1 ATOM 2612 C C . PHE A 1 356 ? 12.964 43.561 -7.081 1.00 37.66 ? 374 PHE P C 1 ATOM 2613 O O . PHE A 1 356 ? 13.881 43.934 -7.793 1.00 30.80 ? 374 PHE P O 1 ATOM 2614 C CB . PHE A 1 356 ? 11.276 45.294 -6.701 1.00 33.56 ? 374 PHE P CB 1 ATOM 2615 C CG . PHE A 1 356 ? 10.866 46.420 -5.780 1.00 43.80 ? 374 PHE P CG 1 ATOM 2616 C CD1 . PHE A 1 356 ? 11.539 47.622 -5.774 1.00 39.17 ? 374 PHE P CD1 1 ATOM 2617 C CD2 . PHE A 1 356 ? 9.813 46.202 -4.869 1.00 42.12 ? 374 PHE P CD2 1 ATOM 2618 C CE1 . PHE A 1 356 ? 11.149 48.579 -4.831 1.00 41.67 ? 374 PHE P CE1 1 ATOM 2619 C CE2 . PHE A 1 356 ? 9.411 47.200 -4.007 1.00 33.97 ? 374 PHE P CE2 1 ATOM 2620 C CZ . PHE A 1 356 ? 10.088 48.388 -3.976 1.00 35.41 ? 374 PHE P CZ 1 ATOM 2621 N N . PHE A 1 357 ? 12.621 42.293 -6.968 1.00 34.29 ? 375 PHE P N 1 ATOM 2622 C CA . PHE A 1 357 ? 13.147 41.216 -7.753 1.00 28.66 ? 375 PHE P CA 1 ATOM 2623 C C . PHE A 1 357 ? 12.032 40.556 -8.540 1.00 29.49 ? 375 PHE P C 1 ATOM 2624 O O . PHE A 1 357 ? 11.109 40.033 -7.928 1.00 35.16 ? 375 PHE P O 1 ATOM 2625 C CB . PHE A 1 357 ? 13.777 40.151 -6.806 1.00 32.85 ? 375 PHE P CB 1 ATOM 2626 C CG . PHE A 1 357 ? 15.041 40.698 -6.173 1.00 26.83 ? 375 PHE P CG 1 ATOM 2627 C CD1 . PHE A 1 357 ? 16.155 40.983 -6.911 1.00 20.80 ? 375 PHE P CD1 1 ATOM 2628 C CD2 . PHE A 1 357 ? 14.999 41.079 -4.830 1.00 26.08 ? 375 PHE P CD2 1 ATOM 2629 C CE1 . PHE A 1 357 ? 17.231 41.567 -6.286 1.00 30.26 ? 375 PHE P CE1 1 ATOM 2630 C CE2 . PHE A 1 357 ? 16.088 41.704 -4.230 1.00 23.80 ? 375 PHE P CE2 1 ATOM 2631 C CZ . PHE A 1 357 ? 17.247 41.979 -4.967 1.00 23.81 ? 375 PHE P CZ 1 ATOM 2632 N N . TYR A 1 358 ? 12.151 40.366 -9.840 1.00 31.51 ? 376 TYR P N 1 ATOM 2633 C CA . TYR A 1 358 ? 11.151 39.665 -10.613 1.00 24.37 ? 376 TYR P CA 1 ATOM 2634 C C . TYR A 1 358 ? 11.812 38.389 -11.091 1.00 26.30 ? 376 TYR P C 1 ATOM 2635 O O . TYR A 1 358 ? 13.047 38.194 -11.204 1.00 29.34 ? 376 TYR P O 1 ATOM 2636 C CB . TYR A 1 358 ? 10.497 40.475 -11.727 1.00 25.27 ? 376 TYR P CB 1 ATOM 2637 C CG . TYR A 1 358 ? 9.571 41.619 -11.523 1.00 24.62 ? 376 TYR P CG 1 ATOM 2638 C CD1 . TYR A 1 358 ? 9.964 42.926 -11.191 1.00 34.94 ? 376 TYR P CD1 1 ATOM 2639 C CD2 . TYR A 1 358 ? 8.202 41.447 -11.529 1.00 29.90 ? 376 TYR P CD2 1 ATOM 2640 C CE1 . TYR A 1 358 ? 9.110 44.003 -10.905 1.00 23.94 ? 376 TYR P CE1 1 ATOM 2641 C CE2 . TYR A 1 358 ? 7.310 42.497 -11.284 1.00 34.03 ? 376 TYR P CE2 1 ATOM 2642 C CZ . TYR A 1 358 ? 7.782 43.784 -11.036 1.00 30.26 ? 376 TYR P CZ 1 ATOM 2643 O OH . TYR A 1 358 ? 6.832 44.763 -10.788 1.00 30.86 ? 376 TYR P OH 1 ATOM 2644 N N . PRO A 1 359 ? 10.996 37.384 -11.286 1.00 26.22 ? 377 PRO P N 1 ATOM 2645 C CA . PRO A 1 359 ? 11.473 36.101 -11.830 1.00 27.09 ? 377 PRO P CA 1 ATOM 2646 C C . PRO A 1 359 ? 11.612 36.163 -13.341 1.00 32.23 ? 377 PRO P C 1 ATOM 2647 O O . PRO A 1 359 ? 11.203 37.091 -14.029 1.00 31.08 ? 377 PRO P O 1 ATOM 2648 C CB . PRO A 1 359 ? 10.313 35.175 -11.417 1.00 15.80 ? 377 PRO P CB 1 ATOM 2649 C CG . PRO A 1 359 ? 9.164 36.056 -11.814 1.00 16.98 ? 377 PRO P CG 1 ATOM 2650 C CD . PRO A 1 359 ? 9.528 37.362 -11.032 1.00 22.87 ? 377 PRO P CD 1 ATOM 2651 N N . SER A 1 360 ? 12.201 35.128 -13.944 1.00 36.26 ? 378 SER P N 1 ATOM 2652 C CA . SER A 1 360 ? 12.452 35.021 -15.357 1.00 34.24 ? 378 SER P CA 1 ATOM 2653 C C . SER A 1 360 ? 11.147 35.006 -16.134 1.00 36.85 ? 378 SER P C 1 ATOM 2654 O O . SER A 1 360 ? 11.126 35.428 -17.281 1.00 39.42 ? 378 SER P O 1 ATOM 2655 C CB . SER A 1 360 ? 13.046 33.694 -15.770 1.00 34.42 ? 378 SER P CB 1 ATOM 2656 O OG . SER A 1 360 ? 14.021 33.164 -14.961 1.00 45.73 ? 378 SER P OG 1 ATOM 2657 N N . TYR A 1 361 ? 10.128 34.392 -15.594 1.00 31.84 ? 379 TYR P N 1 ATOM 2658 C CA . TYR A 1 361 ? 8.801 34.359 -16.183 1.00 35.66 ? 379 TYR P CA 1 ATOM 2659 C C . TYR A 1 361 ? 7.870 35.167 -15.334 1.00 30.19 ? 379 TYR P C 1 ATOM 2660 O O . TYR A 1 361 ? 7.020 34.624 -14.632 1.00 37.11 ? 379 TYR P O 1 ATOM 2661 C CB . TYR A 1 361 ? 8.252 32.901 -16.410 1.00 33.71 ? 379 TYR P CB 1 ATOM 2662 C CG . TYR A 1 361 ? 9.088 32.248 -17.500 1.00 53.42 ? 379 TYR P CG 1 ATOM 2663 C CD1 . TYR A 1 361 ? 10.383 31.842 -17.251 1.00 57.87 ? 379 TYR P CD1 1 ATOM 2664 C CD2 . TYR A 1 361 ? 8.620 32.061 -18.800 1.00 60.24 ? 379 TYR P CD2 1 ATOM 2665 C CE1 . TYR A 1 361 ? 11.185 31.320 -18.239 1.00 67.82 ? 379 TYR P CE1 1 ATOM 2666 C CE2 . TYR A 1 361 ? 9.413 31.516 -19.795 1.00 64.98 ? 379 TYR P CE2 1 ATOM 2667 C CZ . TYR A 1 361 ? 10.701 31.130 -19.514 1.00 66.66 ? 379 TYR P CZ 1 ATOM 2668 O OH . TYR A 1 361 ? 11.544 30.575 -20.450 1.00 69.65 ? 379 TYR P OH 1 ATOM 2669 N N . PRO A 1 362 ? 7.835 36.472 -15.353 1.00 31.01 ? 380 PRO P N 1 ATOM 2670 C CA . PRO A 1 362 ? 6.897 37.207 -14.522 1.00 31.14 ? 380 PRO P CA 1 ATOM 2671 C C . PRO A 1 362 ? 5.460 37.213 -15.018 1.00 32.65 ? 380 PRO P C 1 ATOM 2672 O O . PRO A 1 362 ? 5.285 37.024 -16.206 1.00 44.81 ? 380 PRO P O 1 ATOM 2673 C CB . PRO A 1 362 ? 7.501 38.604 -14.679 1.00 32.65 ? 380 PRO P CB 1 ATOM 2674 C CG . PRO A 1 362 ? 7.877 38.614 -16.148 1.00 31.56 ? 380 PRO P CG 1 ATOM 2675 C CD . PRO A 1 362 ? 8.708 37.349 -16.184 1.00 28.72 ? 380 PRO P CD 1 ATOM 2676 N N . ASP A 1 363 ? 4.485 37.765 -14.354 1.00 29.72 ? 381 ASP P N 1 ATOM 2677 C CA . ASP A 1 363 ? 3.094 37.862 -14.744 1.00 26.96 ? 381 ASP P CA 1 ATOM 2678 C C . ASP A 1 363 ? 2.461 38.822 -13.757 1.00 31.81 ? 381 ASP P C 1 ATOM 2679 O O . ASP A 1 363 ? 2.887 39.098 -12.680 1.00 39.56 ? 381 ASP P O 1 ATOM 2680 C CB . ASP A 1 363 ? 2.349 36.539 -14.722 1.00 26.80 ? 381 ASP P CB 1 ATOM 2681 C CG . ASP A 1 363 ? 1.960 36.036 -13.372 1.00 31.06 ? 381 ASP P CG 1 ATOM 2682 O OD1 . ASP A 1 363 ? 1.074 36.581 -12.682 1.00 33.38 ? 381 ASP P OD1 1 ATOM 2683 O OD2 . ASP A 1 363 ? 2.623 35.072 -12.984 1.00 35.99 ? 381 ASP P OD2 1 ATOM 2684 N N . GLU A 1 364 ? 1.406 39.411 -14.176 1.00 40.67 ? 382 GLU P N 1 ATOM 2685 C CA . GLU A 1 364 ? 0.778 40.520 -13.480 1.00 41.59 ? 382 GLU P CA 1 ATOM 2686 C C . GLU A 1 364 ? -0.138 39.988 -12.415 1.00 36.14 ? 382 GLU P C 1 ATOM 2687 O O . GLU A 1 364 ? -0.591 40.801 -11.623 1.00 41.38 ? 382 GLU P O 1 ATOM 2688 C CB . GLU A 1 364 ? 0.093 41.368 -14.585 1.00 41.28 ? 382 GLU P CB 1 ATOM 2689 C CG . GLU A 1 364 ? 0.881 42.605 -14.923 1.00 62.31 ? 382 GLU P CG 1 ATOM 2690 C CD . GLU A 1 364 ? 0.310 43.446 -16.057 1.00 71.10 ? 382 GLU P CD 1 ATOM 2691 O OE1 . GLU A 1 364 ? -0.274 42.801 -16.967 1.00 77.17 ? 382 GLU P OE1 1 ATOM 2692 O OE2 . GLU A 1 364 ? 0.504 44.682 -15.943 1.00 71.22 ? 382 GLU P OE2 1 ATOM 2693 N N . VAL A 1 365 ? -0.528 38.715 -12.440 1.00 31.44 ? 383 VAL P N 1 ATOM 2694 C CA . VAL A 1 365 ? -1.300 38.298 -11.294 1.00 30.63 ? 383 VAL P CA 1 ATOM 2695 C C . VAL A 1 365 ? -0.304 38.185 -10.127 1.00 31.69 ? 383 VAL P C 1 ATOM 2696 O O . VAL A 1 365 ? -0.646 38.547 -9.010 1.00 35.32 ? 383 VAL P O 1 ATOM 2697 C CB . VAL A 1 365 ? -2.007 36.977 -11.494 1.00 35.37 ? 383 VAL P CB 1 ATOM 2698 C CG1 . VAL A 1 365 ? -2.548 36.478 -10.124 1.00 27.18 ? 383 VAL P CG1 1 ATOM 2699 C CG2 . VAL A 1 365 ? -3.114 37.106 -12.569 1.00 33.13 ? 383 VAL P CG2 1 ATOM 2700 N N . ARG A 1 366 ? 0.903 37.652 -10.248 1.00 28.83 ? 384 ARG P N 1 ATOM 2701 C CA . ARG A 1 366 ? 1.765 37.398 -9.136 1.00 25.53 ? 384 ARG P CA 1 ATOM 2702 C C . ARG A 1 366 ? 2.606 38.589 -8.803 1.00 28.96 ? 384 ARG P C 1 ATOM 2703 O O . ARG A 1 366 ? 2.955 38.765 -7.632 1.00 29.17 ? 384 ARG P O 1 ATOM 2704 C CB . ARG A 1 366 ? 2.561 36.142 -9.335 1.00 27.96 ? 384 ARG P CB 1 ATOM 2705 C CG . ARG A 1 366 ? 1.627 34.924 -9.348 1.00 29.82 ? 384 ARG P CG 1 ATOM 2706 C CD . ARG A 1 366 ? 2.491 33.617 -9.348 1.00 25.96 ? 384 ARG P CD 1 ATOM 2707 N NE . ARG A 1 366 ? 2.090 32.915 -10.557 1.00 47.34 ? 384 ARG P NE 1 ATOM 2708 C CZ . ARG A 1 366 ? 1.197 31.944 -10.527 1.00 56.65 ? 384 ARG P CZ 1 ATOM 2709 N NH1 . ARG A 1 366 ? 0.638 31.500 -9.405 1.00 67.95 ? 384 ARG P NH1 1 ATOM 2710 N NH2 . ARG A 1 366 ? 0.940 31.351 -11.655 1.00 60.46 ? 384 ARG P NH2 1 ATOM 2711 N N . GLY A 1 367 ? 3.029 39.374 -9.742 1.00 32.28 ? 385 GLY P N 1 ATOM 2712 C CA . GLY A 1 367 ? 3.865 40.546 -9.451 1.00 23.76 ? 385 GLY P CA 1 ATOM 2713 C C . GLY A 1 367 ? 5.247 40.241 -8.896 1.00 28.37 ? 385 GLY P C 1 ATOM 2714 O O . GLY A 1 367 ? 5.719 39.185 -9.275 1.00 30.56 ? 385 GLY P O 1 ATOM 2715 N N . VAL A 1 368 ? 5.835 41.132 -8.098 1.00 26.30 ? 386 VAL P N 1 ATOM 2716 C CA . VAL A 1 368 ? 7.174 40.827 -7.611 1.00 33.15 ? 386 VAL P CA 1 ATOM 2717 C C . VAL A 1 368 ? 7.237 39.596 -6.700 1.00 30.30 ? 386 VAL P C 1 ATOM 2718 O O . VAL A 1 368 ? 6.378 39.326 -5.857 1.00 28.69 ? 386 VAL P O 1 ATOM 2719 C CB . VAL A 1 368 ? 7.707 42.022 -6.788 1.00 38.84 ? 386 VAL P CB 1 ATOM 2720 C CG1 . VAL A 1 368 ? 8.048 43.153 -7.675 1.00 47.76 ? 386 VAL P CG1 1 ATOM 2721 C CG2 . VAL A 1 368 ? 6.625 42.564 -5.867 1.00 47.62 ? 386 VAL P CG2 1 ATOM 2722 N N . PHE A 1 369 ? 8.323 38.876 -6.830 1.00 21.03 ? 387 PHE P N 1 ATOM 2723 C CA . PHE A 1 369 ? 8.566 37.662 -6.148 1.00 22.30 ? 387 PHE P CA 1 ATOM 2724 C C . PHE A 1 369 ? 9.258 37.930 -4.801 1.00 29.34 ? 387 PHE P C 1 ATOM 2725 O O . PHE A 1 369 ? 8.794 37.286 -3.869 1.00 29.31 ? 387 PHE P O 1 ATOM 2726 C CB . PHE A 1 369 ? 9.399 36.743 -7.022 1.00 16.71 ? 387 PHE P CB 1 ATOM 2727 C CG . PHE A 1 369 ? 8.645 35.709 -7.751 1.00 22.80 ? 387 PHE P CG 1 ATOM 2728 C CD1 . PHE A 1 369 ? 7.376 35.980 -8.318 1.00 21.77 ? 387 PHE P CD1 1 ATOM 2729 C CD2 . PHE A 1 369 ? 9.202 34.431 -7.880 1.00 17.48 ? 387 PHE P CD2 1 ATOM 2730 C CE1 . PHE A 1 369 ? 6.705 34.960 -9.026 1.00 17.47 ? 387 PHE P CE1 1 ATOM 2731 C CE2 . PHE A 1 369 ? 8.540 33.421 -8.632 1.00 23.08 ? 387 PHE P CE2 1 ATOM 2732 C CZ . PHE A 1 369 ? 7.287 33.714 -9.166 1.00 22.57 ? 387 PHE P CZ 1 ATOM 2733 N N . ALA A 1 370 ? 10.247 38.789 -4.689 1.00 23.19 ? 388 ALA P N 1 ATOM 2734 C CA . ALA A 1 370 ? 10.981 39.003 -3.485 1.00 23.14 ? 388 ALA P CA 1 ATOM 2735 C C . ALA A 1 370 ? 11.263 40.515 -3.313 1.00 24.26 ? 388 ALA P C 1 ATOM 2736 O O . ALA A 1 370 ? 11.398 41.191 -4.286 1.00 24.08 ? 388 ALA P O 1 ATOM 2737 C CB . ALA A 1 370 ? 12.322 38.291 -3.507 1.00 19.45 ? 388 ALA P CB 1 ATOM 2738 N N . VAL A 1 371 ? 11.378 41.056 -2.140 1.00 19.25 ? 389 VAL P N 1 ATOM 2739 C CA . VAL A 1 371 ? 11.629 42.446 -1.924 1.00 23.86 ? 389 VAL P CA 1 ATOM 2740 C C . VAL A 1 371 ? 12.653 42.501 -0.765 1.00 29.13 ? 389 VAL P C 1 ATOM 2741 O O . VAL A 1 371 ? 12.649 41.668 0.115 1.00 28.33 ? 389 VAL P O 1 ATOM 2742 C CB . VAL A 1 371 ? 10.330 43.157 -1.443 1.00 24.15 ? 389 VAL P CB 1 ATOM 2743 C CG1 . VAL A 1 371 ? 10.643 44.570 -1.012 1.00 15.89 ? 389 VAL P CG1 1 ATOM 2744 C CG2 . VAL A 1 371 ? 9.191 43.178 -2.473 1.00 17.64 ? 389 VAL P CG2 1 ATOM 2745 N N . ARG A 1 372 ? 13.596 43.422 -0.858 1.00 33.20 ? 390 ARG P N 1 ATOM 2746 C CA . ARG A 1 372 ? 14.543 43.634 0.195 1.00 29.25 ? 390 ARG P CA 1 ATOM 2747 C C . ARG A 1 372 ? 14.424 45.081 0.733 1.00 31.83 ? 390 ARG P C 1 ATOM 2748 O O . ARG A 1 372 ? 14.355 46.037 -0.057 1.00 31.10 ? 390 ARG P O 1 ATOM 2749 C CB . ARG A 1 372 ? 15.963 43.345 -0.253 1.00 30.51 ? 390 ARG P CB 1 ATOM 2750 C CG . ARG A 1 372 ? 16.876 43.715 0.939 1.00 31.21 ? 390 ARG P CG 1 ATOM 2751 C CD . ARG A 1 372 ? 18.317 43.438 0.682 1.00 30.59 ? 390 ARG P CD 1 ATOM 2752 N NE . ARG A 1 372 ? 19.140 43.880 1.792 1.00 30.68 ? 390 ARG P NE 1 ATOM 2753 C CZ . ARG A 1 372 ? 20.445 43.572 1.893 1.00 32.29 ? 390 ARG P CZ 1 ATOM 2754 N NH1 . ARG A 1 372 ? 21.162 42.802 1.082 1.00 27.35 ? 390 ARG P NH1 1 ATOM 2755 N NH2 . ARG A 1 372 ? 21.020 44.074 2.955 1.00 23.89 ? 390 ARG P NH2 1 ATOM 2756 N N . THR A 1 373 ? 14.296 45.201 2.068 1.00 29.09 ? 391 THR P N 1 ATOM 2757 C CA . THR A 1 373 ? 14.263 46.537 2.691 1.00 29.10 ? 391 THR P CA 1 ATOM 2758 C C . THR A 1 373 ? 15.267 46.539 3.838 1.00 29.35 ? 391 THR P C 1 ATOM 2759 O O . THR A 1 373 ? 15.200 45.721 4.768 1.00 29.99 ? 391 THR P O 1 ATOM 2760 C CB . THR A 1 373 ? 12.911 47.087 3.170 1.00 29.10 ? 391 THR P CB 1 ATOM 2761 O OG1 . THR A 1 373 ? 12.435 47.426 1.837 1.00 48.81 ? 391 THR P OG1 1 ATOM 2762 C CG2 . THR A 1 373 ? 13.111 48.601 3.474 1.00 43.03 ? 391 THR P CG2 1 ATOM 2763 N N . GLY A 1 374 ? 16.275 47.431 3.753 1.00 24.21 ? 392 GLY P N 1 ATOM 2764 C CA . GLY A 1 374 ? 17.243 47.380 4.895 1.00 11.92 ? 392 GLY P CA 1 ATOM 2765 C C . GLY A 1 374 ? 17.878 45.990 4.857 1.00 25.88 ? 392 GLY P C 1 ATOM 2766 O O . GLY A 1 374 ? 18.288 45.490 3.785 1.00 30.97 ? 392 GLY P O 1 ATOM 2767 N N . LYS A 1 375 ? 17.871 45.309 5.969 1.00 23.53 ? 393 LYS P N 1 ATOM 2768 C CA . LYS A 1 375 ? 18.557 44.030 6.051 1.00 29.33 ? 393 LYS P CA 1 ATOM 2769 C C . LYS A 1 375 ? 17.595 42.880 5.874 1.00 29.77 ? 393 LYS P C 1 ATOM 2770 O O . LYS A 1 375 ? 18.032 41.747 5.969 1.00 30.26 ? 393 LYS P O 1 ATOM 2771 C CB . LYS A 1 375 ? 19.230 44.006 7.424 1.00 33.99 ? 393 LYS P CB 1 ATOM 2772 C CG . LYS A 1 375 ? 18.207 44.034 8.541 1.00 47.57 ? 393 LYS P CG 1 ATOM 2773 C CD . LYS A 1 375 ? 18.855 43.578 9.840 1.00 54.90 ? 393 LYS P CD 1 ATOM 2774 C CE . LYS A 1 375 ? 18.413 44.311 11.084 1.00 56.60 ? 393 LYS P CE 1 ATOM 2775 N NZ . LYS A 1 375 ? 19.083 43.668 12.258 1.00 61.75 ? 393 LYS P NZ 1 ATOM 2776 N N . TYR A 1 376 ? 16.296 43.171 5.645 1.00 19.99 ? 394 TYR P N 1 ATOM 2777 C CA . TYR A 1 376 ? 15.398 42.047 5.517 1.00 31.60 ? 394 TYR P CA 1 ATOM 2778 C C . TYR A 1 376 ? 15.028 41.753 4.085 1.00 31.10 ? 394 TYR P C 1 ATOM 2779 O O . TYR A 1 376 ? 14.846 42.716 3.331 1.00 32.62 ? 394 TYR P O 1 ATOM 2780 C CB . TYR A 1 376 ? 14.090 42.393 6.288 1.00 31.01 ? 394 TYR P CB 1 ATOM 2781 C CG . TYR A 1 376 ? 14.299 42.526 7.782 1.00 31.02 ? 394 TYR P CG 1 ATOM 2782 C CD1 . TYR A 1 376 ? 14.468 41.375 8.559 1.00 32.06 ? 394 TYR P CD1 1 ATOM 2783 C CD2 . TYR A 1 376 ? 14.305 43.745 8.448 1.00 35.28 ? 394 TYR P CD2 1 ATOM 2784 C CE1 . TYR A 1 376 ? 14.599 41.410 9.948 1.00 30.78 ? 394 TYR P CE1 1 ATOM 2785 C CE2 . TYR A 1 376 ? 14.482 43.805 9.856 1.00 30.18 ? 394 TYR P CE2 1 ATOM 2786 C CZ . TYR A 1 376 ? 14.598 42.638 10.573 1.00 35.02 ? 394 TYR P CZ 1 ATOM 2787 O OH . TYR A 1 376 ? 14.765 42.679 11.942 1.00 42.34 ? 394 TYR P OH 1 ATOM 2788 N N . LYS A 1 377 ? 14.852 40.474 3.731 1.00 27.28 ? 395 LYS P N 1 ATOM 2789 C CA . LYS A 1 377 ? 14.328 40.121 2.426 1.00 24.00 ? 395 LYS P CA 1 ATOM 2790 C C . LYS A 1 377 ? 13.160 39.163 2.629 1.00 26.21 ? 395 LYS P C 1 ATOM 2791 O O . LYS A 1 377 ? 13.164 38.124 3.385 1.00 28.33 ? 395 LYS P O 1 ATOM 2792 C CB . LYS A 1 377 ? 15.439 39.461 1.574 1.00 25.69 ? 395 LYS P CB 1 ATOM 2793 C CG . LYS A 1 377 ? 14.959 39.199 0.110 1.00 23.94 ? 395 LYS P CG 1 ATOM 2794 C CD . LYS A 1 377 ? 15.950 38.150 -0.424 1.00 22.77 ? 395 LYS P CD 1 ATOM 2795 C CE . LYS A 1 377 ? 15.799 37.953 -1.952 1.00 17.54 ? 395 LYS P CE 1 ATOM 2796 N NZ . LYS A 1 377 ? 16.883 37.053 -2.500 1.00 15.75 ? 395 LYS P NZ 1 ATOM 2797 N N . ALA A 1 378 ? 12.096 39.529 2.021 1.00 22.64 ? 396 ALA P N 1 ATOM 2798 C CA . ALA A 1 378 ? 10.859 38.730 1.913 1.00 29.80 ? 396 ALA P CA 1 ATOM 2799 C C . ALA A 1 378 ? 10.750 38.018 0.555 1.00 30.45 ? 396 ALA P C 1 ATOM 2800 O O . ALA A 1 378 ? 10.950 38.544 -0.574 1.00 28.19 ? 396 ALA P O 1 ATOM 2801 C CB . ALA A 1 378 ? 9.678 39.702 2.017 1.00 22.05 ? 396 ALA P CB 1 ATOM 2802 N N . HIS A 1 379 ? 10.296 36.777 0.590 1.00 25.84 ? 397 HIS P N 1 ATOM 2803 C CA . HIS A 1 379 ? 9.982 36.043 -0.655 1.00 22.60 ? 397 HIS P CA 1 ATOM 2804 C C . HIS A 1 379 ? 8.487 35.717 -0.589 1.00 22.20 ? 397 HIS P C 1 ATOM 2805 O O . HIS A 1 379 ? 8.054 34.938 0.323 1.00 29.47 ? 397 HIS P O 1 ATOM 2806 C CB . HIS A 1 379 ? 10.786 34.757 -0.583 1.00 24.25 ? 397 HIS P CB 1 ATOM 2807 C CG . HIS A 1 379 ? 12.238 34.741 -0.752 1.00 26.00 ? 397 HIS P CG 1 ATOM 2808 N ND1 . HIS A 1 379 ? 12.858 34.574 -2.001 1.00 31.08 ? 397 HIS P ND1 1 ATOM 2809 C CD2 . HIS A 1 379 ? 13.253 34.902 0.103 1.00 27.19 ? 397 HIS P CD2 1 ATOM 2810 C CE1 . HIS A 1 379 ? 14.170 34.544 -1.866 1.00 25.36 ? 397 HIS P CE1 1 ATOM 2811 N NE2 . HIS A 1 379 ? 14.435 34.774 -0.624 1.00 30.93 ? 397 HIS P NE2 1 ATOM 2812 N N . PHE A 1 380 ? 7.696 36.288 -1.408 1.00 23.78 ? 398 PHE P N 1 ATOM 2813 C CA . PHE A 1 380 ? 6.273 36.004 -1.624 1.00 23.26 ? 398 PHE P CA 1 ATOM 2814 C C . PHE A 1 380 ? 6.058 34.756 -2.463 1.00 28.21 ? 398 PHE P C 1 ATOM 2815 O O . PHE A 1 380 ? 5.088 34.075 -2.277 1.00 26.41 ? 398 PHE P O 1 ATOM 2816 C CB . PHE A 1 380 ? 5.571 37.158 -2.340 1.00 22.04 ? 398 PHE P CB 1 ATOM 2817 C CG . PHE A 1 380 ? 5.746 38.367 -1.425 1.00 28.16 ? 398 PHE P CG 1 ATOM 2818 C CD1 . PHE A 1 380 ? 4.798 38.643 -0.427 1.00 15.40 ? 398 PHE P CD1 1 ATOM 2819 C CD2 . PHE A 1 380 ? 6.848 39.189 -1.579 1.00 27.18 ? 398 PHE P CD2 1 ATOM 2820 C CE1 . PHE A 1 380 ? 5.005 39.784 0.372 1.00 26.56 ? 398 PHE P CE1 1 ATOM 2821 C CE2 . PHE A 1 380 ? 7.071 40.310 -0.793 1.00 26.53 ? 398 PHE P CE2 1 ATOM 2822 C CZ . PHE A 1 380 ? 6.117 40.612 0.198 1.00 27.52 ? 398 PHE P CZ 1 ATOM 2823 N N . PHE A 1 381 ? 6.983 34.465 -3.397 1.00 29.51 ? 399 PHE P N 1 ATOM 2824 C CA . PHE A 1 381 ? 6.935 33.303 -4.250 1.00 23.85 ? 399 PHE P CA 1 ATOM 2825 C C . PHE A 1 381 ? 8.309 32.716 -4.286 1.00 21.42 ? 399 PHE P C 1 ATOM 2826 O O . PHE A 1 381 ? 9.285 33.454 -4.434 1.00 24.89 ? 399 PHE P O 1 ATOM 2827 C CB . PHE A 1 381 ? 6.460 33.535 -5.723 1.00 21.47 ? 399 PHE P CB 1 ATOM 2828 C CG . PHE A 1 381 ? 5.033 34.024 -5.759 1.00 26.98 ? 399 PHE P CG 1 ATOM 2829 C CD1 . PHE A 1 381 ? 4.682 35.343 -5.654 1.00 26.93 ? 399 PHE P CD1 1 ATOM 2830 C CD2 . PHE A 1 381 ? 3.995 33.116 -5.780 1.00 27.76 ? 399 PHE P CD2 1 ATOM 2831 C CE1 . PHE A 1 381 ? 3.351 35.778 -5.604 1.00 24.48 ? 399 PHE P CE1 1 ATOM 2832 C CE2 . PHE A 1 381 ? 2.676 33.522 -5.750 1.00 21.47 ? 399 PHE P CE2 1 ATOM 2833 C CZ . PHE A 1 381 ? 2.358 34.851 -5.678 1.00 19.78 ? 399 PHE P CZ 1 ATOM 2834 N N . THR A 1 382 ? 8.470 31.406 -4.448 1.00 26.96 ? 400 THR P N 1 ATOM 2835 C CA . THR A 1 382 ? 9.821 30.820 -4.565 1.00 21.87 ? 400 THR P CA 1 ATOM 2836 C C . THR A 1 382 ? 9.821 29.867 -5.710 1.00 31.28 ? 400 THR P C 1 ATOM 2837 O O . THR A 1 382 ? 8.784 29.317 -6.122 1.00 31.74 ? 400 THR P O 1 ATOM 2838 C CB . THR A 1 382 ? 9.980 30.249 -3.143 1.00 34.98 ? 400 THR P CB 1 ATOM 2839 O OG1 . THR A 1 382 ? 11.148 30.695 -2.428 1.00 37.65 ? 400 THR P OG1 1 ATOM 2840 C CG2 . THR A 1 382 ? 9.790 28.778 -3.045 1.00 13.31 ? 400 THR P CG2 1 ATOM 2841 N N . GLN A 1 383 ? 11.012 29.580 -6.256 1.00 39.30 ? 401 GLN P N 1 ATOM 2842 C CA . GLN A 1 383 ? 11.025 28.703 -7.439 1.00 39.74 ? 401 GLN P CA 1 ATOM 2843 C C . GLN A 1 383 ? 12.395 28.310 -7.897 1.00 36.57 ? 401 GLN P C 1 ATOM 2844 O O . GLN A 1 383 ? 13.186 29.263 -7.878 1.00 37.98 ? 401 GLN P O 1 ATOM 2845 C CB . GLN A 1 383 ? 10.410 29.611 -8.512 1.00 35.85 ? 401 GLN P CB 1 ATOM 2846 C CG . GLN A 1 383 ? 10.430 29.052 -9.882 1.00 37.81 ? 401 GLN P CG 1 ATOM 2847 C CD . GLN A 1 383 ? 9.667 29.832 -10.904 1.00 42.50 ? 401 GLN P CD 1 ATOM 2848 O OE1 . GLN A 1 383 ? 9.808 31.056 -11.090 1.00 51.05 ? 401 GLN P OE1 1 ATOM 2849 N NE2 . GLN A 1 383 ? 8.887 29.146 -11.733 1.00 41.32 ? 401 GLN P NE2 1 ATOM 2850 N N . GLY A 1 384 ? 12.710 27.068 -8.214 1.00 32.97 ? 402 GLY P N 1 ATOM 2851 C CA . GLY A 1 384 ? 14.034 26.680 -8.690 1.00 31.86 ? 402 GLY P CA 1 ATOM 2852 C C . GLY A 1 384 ? 14.166 26.933 -10.198 1.00 28.37 ? 402 GLY P C 1 ATOM 2853 O O . GLY A 1 384 ? 13.313 27.504 -10.870 1.00 28.85 ? 402 GLY P O 1 ATOM 2854 N N . SER A 1 385 ? 15.274 26.584 -10.833 1.00 31.42 ? 403 SER P N 1 ATOM 2855 C CA . SER A 1 385 ? 15.540 26.757 -12.250 1.00 24.49 ? 403 SER P CA 1 ATOM 2856 C C . SER A 1 385 ? 16.530 25.695 -12.706 1.00 24.41 ? 403 SER P C 1 ATOM 2857 O O . SER A 1 385 ? 17.573 25.500 -12.088 1.00 21.47 ? 403 SER P O 1 ATOM 2858 C CB . SER A 1 385 ? 16.383 28.054 -12.433 1.00 29.85 ? 403 SER P CB 1 ATOM 2859 O OG . SER A 1 385 ? 16.334 28.487 -13.750 1.00 34.84 ? 403 SER P OG 1 ATOM 2860 N N . ALA A 1 386 ? 16.313 25.190 -13.898 1.00 20.74 ? 404 ALA P N 1 ATOM 2861 C CA . ALA A 1 386 ? 17.289 24.372 -14.607 1.00 22.18 ? 404 ALA P CA 1 ATOM 2862 C C . ALA A 1 386 ? 18.604 25.116 -14.818 1.00 21.22 ? 404 ALA P C 1 ATOM 2863 O O . ALA A 1 386 ? 19.549 24.371 -14.653 1.00 21.20 ? 404 ALA P O 1 ATOM 2864 C CB . ALA A 1 386 ? 16.744 24.048 -15.959 1.00 19.09 ? 404 ALA P CB 1 ATOM 2865 N N . HIS A 1 387 ? 18.675 26.503 -14.833 1.00 16.00 ? 405 HIS P N 1 ATOM 2866 C CA . HIS A 1 387 ? 20.045 26.997 -14.808 1.00 19.78 ? 405 HIS P CA 1 ATOM 2867 C C . HIS A 1 387 ? 20.771 26.725 -13.509 1.00 27.73 ? 405 HIS P C 1 ATOM 2868 O O . HIS A 1 387 ? 22.035 26.732 -13.506 1.00 31.77 ? 405 HIS P O 1 ATOM 2869 C CB . HIS A 1 387 ? 19.971 28.530 -14.983 1.00 28.05 ? 405 HIS P CB 1 ATOM 2870 C CG . HIS A 1 387 ? 19.370 28.813 -16.330 1.00 33.89 ? 405 HIS P CG 1 ATOM 2871 N ND1 . HIS A 1 387 ? 20.054 28.665 -17.540 1.00 36.11 ? 405 HIS P ND1 1 ATOM 2872 C CD2 . HIS A 1 387 ? 18.092 29.143 -16.617 1.00 30.59 ? 405 HIS P CD2 1 ATOM 2873 C CE1 . HIS A 1 387 ? 19.170 28.961 -18.474 1.00 33.78 ? 405 HIS P CE1 1 ATOM 2874 N NE2 . HIS A 1 387 ? 17.989 29.257 -17.965 1.00 29.64 ? 405 HIS P NE2 1 ATOM 2875 N N . SER A 1 388 ? 20.032 26.548 -12.387 1.00 25.88 ? 406 SER P N 1 ATOM 2876 C CA . SER A 1 388 ? 20.615 26.280 -11.102 1.00 28.64 ? 406 SER P CA 1 ATOM 2877 C C . SER A 1 388 ? 20.591 24.805 -10.726 1.00 28.74 ? 406 SER P C 1 ATOM 2878 O O . SER A 1 388 ? 20.906 24.510 -9.572 1.00 37.46 ? 406 SER P O 1 ATOM 2879 C CB . SER A 1 388 ? 19.944 27.046 -9.955 1.00 22.08 ? 406 SER P CB 1 ATOM 2880 O OG . SER A 1 388 ? 20.164 28.408 -10.149 1.00 24.35 ? 406 SER P OG 1 ATOM 2881 N N . ASP A 1 389 ? 20.191 23.890 -11.545 1.00 29.56 ? 407 ASP P N 1 ATOM 2882 C CA . ASP A 1 389 ? 20.209 22.484 -11.120 1.00 28.71 ? 407 ASP P CA 1 ATOM 2883 C C . ASP A 1 389 ? 21.618 22.075 -10.781 1.00 26.85 ? 407 ASP P C 1 ATOM 2884 O O . ASP A 1 389 ? 22.600 22.820 -10.927 1.00 24.24 ? 407 ASP P O 1 ATOM 2885 C CB . ASP A 1 389 ? 19.727 21.680 -12.281 1.00 36.93 ? 407 ASP P CB 1 ATOM 2886 C CG . ASP A 1 389 ? 18.279 21.268 -12.264 1.00 45.11 ? 407 ASP P CG 1 ATOM 2887 O OD1 . ASP A 1 389 ? 17.720 21.144 -11.176 1.00 41.27 ? 407 ASP P OD1 1 ATOM 2888 O OD2 . ASP A 1 389 ? 17.727 21.009 -13.395 1.00 53.76 ? 407 ASP P OD2 1 ATOM 2889 N N . THR A 1 390 ? 21.737 20.870 -10.272 1.00 18.65 ? 408 THR P N 1 ATOM 2890 C CA . THR A 1 390 ? 22.843 20.053 -9.936 1.00 21.58 ? 408 THR P CA 1 ATOM 2891 C C . THR A 1 390 ? 23.516 20.281 -8.579 1.00 31.49 ? 408 THR P C 1 ATOM 2892 O O . THR A 1 390 ? 24.462 19.511 -8.296 1.00 27.29 ? 408 THR P O 1 ATOM 2893 C CB . THR A 1 390 ? 24.016 19.908 -10.928 1.00 26.26 ? 408 THR P CB 1 ATOM 2894 O OG1 . THR A 1 390 ? 24.931 21.023 -11.054 1.00 25.37 ? 408 THR P OG1 1 ATOM 2895 C CG2 . THR A 1 390 ? 23.475 19.628 -12.324 1.00 17.49 ? 408 THR P CG2 1 ATOM 2896 N N . THR A 1 391 ? 23.089 21.280 -7.820 1.00 30.15 ? 409 THR P N 1 ATOM 2897 C CA . THR A 1 391 ? 23.720 21.443 -6.504 1.00 34.17 ? 409 THR P CA 1 ATOM 2898 C C . THR A 1 391 ? 22.948 20.649 -5.472 1.00 27.99 ? 409 THR P C 1 ATOM 2899 O O . THR A 1 391 ? 21.936 20.053 -5.778 1.00 30.83 ? 409 THR P O 1 ATOM 2900 C CB . THR A 1 391 ? 23.787 22.883 -6.026 1.00 41.26 ? 409 THR P CB 1 ATOM 2901 O OG1 . THR A 1 391 ? 22.527 23.525 -6.032 1.00 44.39 ? 409 THR P OG1 1 ATOM 2902 C CG2 . THR A 1 391 ? 24.726 23.638 -6.969 1.00 46.18 ? 409 THR P CG2 1 ATOM 2903 N N . ALA A 1 392 ? 23.477 20.617 -4.266 1.00 31.65 ? 410 ALA P N 1 ATOM 2904 C CA . ALA A 1 392 ? 22.937 19.785 -3.177 1.00 32.13 ? 410 ALA P CA 1 ATOM 2905 C C . ALA A 1 392 ? 21.676 20.410 -2.607 1.00 36.37 ? 410 ALA P C 1 ATOM 2906 O O . ALA A 1 392 ? 20.845 19.633 -2.166 1.00 49.43 ? 410 ALA P O 1 ATOM 2907 C CB . ALA A 1 392 ? 23.991 19.561 -2.096 1.00 29.02 ? 410 ALA P CB 1 ATOM 2908 N N . ASP A 1 393 ? 21.421 21.692 -2.851 1.00 27.82 ? 411 ASP P N 1 ATOM 2909 C CA . ASP A 1 393 ? 20.311 22.409 -2.327 1.00 27.17 ? 411 ASP P CA 1 ATOM 2910 C C . ASP A 1 393 ? 19.149 22.211 -3.277 1.00 26.76 ? 411 ASP P C 1 ATOM 2911 O O . ASP A 1 393 ? 19.112 22.710 -4.369 1.00 36.38 ? 411 ASP P O 1 ATOM 2912 C CB . ASP A 1 393 ? 20.637 23.873 -2.093 1.00 21.28 ? 411 ASP P CB 1 ATOM 2913 C CG . ASP A 1 393 ? 19.528 24.681 -1.452 1.00 29.11 ? 411 ASP P CG 1 ATOM 2914 O OD1 . ASP A 1 393 ? 18.339 24.271 -1.313 1.00 23.22 ? 411 ASP P OD1 1 ATOM 2915 O OD2 . ASP A 1 393 ? 19.943 25.841 -1.168 1.00 32.63 ? 411 ASP P OD2 1 ATOM 2916 N N . PRO A 1 394 ? 18.124 21.571 -2.783 1.00 31.35 ? 412 PRO P N 1 ATOM 2917 C CA . PRO A 1 394 ? 16.992 21.148 -3.576 1.00 33.82 ? 412 PRO P CA 1 ATOM 2918 C C . PRO A 1 394 ? 16.093 22.303 -3.925 1.00 28.18 ? 412 PRO P C 1 ATOM 2919 O O . PRO A 1 394 ? 15.431 22.214 -4.936 1.00 29.60 ? 412 PRO P O 1 ATOM 2920 C CB . PRO A 1 394 ? 16.185 20.184 -2.703 1.00 33.76 ? 412 PRO P CB 1 ATOM 2921 C CG . PRO A 1 394 ? 16.912 20.084 -1.438 1.00 40.33 ? 412 PRO P CG 1 ATOM 2922 C CD . PRO A 1 394 ? 18.140 20.915 -1.433 1.00 35.00 ? 412 PRO P CD 1 ATOM 2923 N N . ALA A 1 395 ? 16.109 23.365 -3.150 1.00 19.02 ? 413 ALA P N 1 ATOM 2924 C CA . ALA A 1 395 ? 15.249 24.508 -3.473 1.00 18.80 ? 413 ALA P CA 1 ATOM 2925 C C . ALA A 1 395 ? 15.773 25.104 -4.792 1.00 27.46 ? 413 ALA P C 1 ATOM 2926 O O . ALA A 1 395 ? 14.960 25.673 -5.496 1.00 22.80 ? 413 ALA P O 1 ATOM 2927 C CB . ALA A 1 395 ? 15.623 25.573 -2.446 1.00 13.83 ? 413 ALA P CB 1 ATOM 2928 N N . CYS A 1 396 ? 17.069 24.968 -5.131 1.00 20.66 ? 414 CYS P N 1 ATOM 2929 C CA . CYS A 1 396 ? 17.502 25.493 -6.460 1.00 26.90 ? 414 CYS P CA 1 ATOM 2930 C C . CYS A 1 396 ? 17.090 24.717 -7.684 1.00 29.66 ? 414 CYS P C 1 ATOM 2931 O O . CYS A 1 396 ? 17.173 25.243 -8.785 1.00 22.14 ? 414 CYS P O 1 ATOM 2932 C CB . CYS A 1 396 ? 19.052 25.492 -6.478 1.00 18.06 ? 414 CYS P CB 1 ATOM 2933 S SG . CYS A 1 396 ? 19.742 26.322 -5.012 1.00 22.10 ? 414 CYS P SG 1 ATOM 2934 N N . HIS A 1 397 ? 16.730 23.419 -7.605 1.00 30.58 ? 415 HIS P N 1 ATOM 2935 C CA . HIS A 1 397 ? 16.504 22.648 -8.814 1.00 24.52 ? 415 HIS P CA 1 ATOM 2936 C C . HIS A 1 397 ? 15.227 23.010 -9.536 1.00 25.60 ? 415 HIS P C 1 ATOM 2937 O O . HIS A 1 397 ? 14.252 23.445 -8.929 1.00 29.22 ? 415 HIS P O 1 ATOM 2938 C CB . HIS A 1 397 ? 16.427 21.154 -8.462 1.00 20.11 ? 415 HIS P CB 1 ATOM 2939 C CG . HIS A 1 397 ? 17.607 20.661 -7.722 1.00 24.64 ? 415 HIS P CG 1 ATOM 2940 N ND1 . HIS A 1 397 ? 17.549 19.468 -7.027 1.00 34.09 ? 415 HIS P ND1 1 ATOM 2941 C CD2 . HIS A 1 397 ? 18.839 21.198 -7.454 1.00 26.95 ? 415 HIS P CD2 1 ATOM 2942 C CE1 . HIS A 1 397 ? 18.714 19.221 -6.392 1.00 27.14 ? 415 HIS P CE1 1 ATOM 2943 N NE2 . HIS A 1 397 ? 19.497 20.273 -6.643 1.00 33.38 ? 415 HIS P NE2 1 ATOM 2944 N N . ALA A 1 398 ? 15.159 22.707 -10.787 1.00 31.72 ? 416 ALA P N 1 ATOM 2945 C CA . ALA A 1 398 ? 13.979 22.954 -11.612 1.00 34.46 ? 416 ALA P CA 1 ATOM 2946 C C . ALA A 1 398 ? 12.850 22.072 -11.096 1.00 33.86 ? 416 ALA P C 1 ATOM 2947 O O . ALA A 1 398 ? 11.699 22.433 -11.158 1.00 27.09 ? 416 ALA P O 1 ATOM 2948 C CB . ALA A 1 398 ? 14.275 22.604 -13.040 1.00 24.83 ? 416 ALA P CB 1 ATOM 2949 N N . SER A 1 399 ? 13.129 20.975 -10.390 1.00 33.82 ? 417 SER P N 1 ATOM 2950 C CA . SER A 1 399 ? 11.984 20.285 -9.765 1.00 35.12 ? 417 SER P CA 1 ATOM 2951 C C . SER A 1 399 ? 11.422 21.049 -8.592 1.00 34.71 ? 417 SER P C 1 ATOM 2952 O O . SER A 1 399 ? 10.233 20.840 -8.304 1.00 43.03 ? 417 SER P O 1 ATOM 2953 C CB . SER A 1 399 ? 12.315 18.844 -9.425 1.00 30.65 ? 417 SER P CB 1 ATOM 2954 O OG . SER A 1 399 ? 13.476 18.983 -8.670 1.00 40.78 ? 417 SER P OG 1 ATOM 2955 N N . SER A 1 400 ? 12.014 22.087 -7.994 1.00 37.08 ? 418 SER P N 1 ATOM 2956 C CA . SER A 1 400 ? 11.302 22.903 -7.038 1.00 30.10 ? 418 SER P CA 1 ATOM 2957 C C . SER A 1 400 ? 10.386 23.855 -7.777 1.00 29.55 ? 418 SER P C 1 ATOM 2958 O O . SER A 1 400 ? 10.771 24.895 -8.211 1.00 36.50 ? 418 SER P O 1 ATOM 2959 C CB . SER A 1 400 ? 12.084 23.775 -6.127 1.00 29.88 ? 418 SER P CB 1 ATOM 2960 O OG . SER A 1 400 ? 12.961 22.879 -5.439 1.00 46.09 ? 418 SER P OG 1 ATOM 2961 N N . SER A 1 401 ? 9.118 23.553 -7.923 1.00 26.48 ? 419 SER P N 1 ATOM 2962 C CA . SER A 1 401 ? 8.213 24.415 -8.644 1.00 35.74 ? 419 SER P CA 1 ATOM 2963 C C . SER A 1 401 ? 7.674 25.611 -7.892 1.00 31.12 ? 419 SER P C 1 ATOM 2964 O O . SER A 1 401 ? 7.761 25.833 -6.711 1.00 33.57 ? 419 SER P O 1 ATOM 2965 C CB . SER A 1 401 ? 7.090 23.475 -9.097 1.00 38.56 ? 419 SER P CB 1 ATOM 2966 O OG . SER A 1 401 ? 6.622 22.874 -7.912 1.00 47.16 ? 419 SER P OG 1 ATOM 2967 N N . LEU A 1 402 ? 7.061 26.522 -8.623 1.00 32.55 ? 420 LEU P N 1 ATOM 2968 C CA . LEU A 1 402 ? 6.504 27.746 -8.160 1.00 31.03 ? 420 LEU P CA 1 ATOM 2969 C C . LEU A 1 402 ? 5.671 27.474 -6.913 1.00 36.19 ? 420 LEU P C 1 ATOM 2970 O O . LEU A 1 402 ? 4.619 26.854 -6.998 1.00 39.71 ? 420 LEU P O 1 ATOM 2971 C CB . LEU A 1 402 ? 5.706 28.365 -9.301 1.00 28.86 ? 420 LEU P CB 1 ATOM 2972 C CG . LEU A 1 402 ? 5.126 29.759 -8.959 1.00 39.53 ? 420 LEU P CG 1 ATOM 2973 C CD1 . LEU A 1 402 ? 6.259 30.627 -8.490 1.00 36.27 ? 420 LEU P CD1 1 ATOM 2974 C CD2 . LEU A 1 402 ? 4.561 30.384 -10.278 1.00 31.78 ? 420 LEU P CD2 1 ATOM 2975 N N . THR A 1 403 ? 6.064 27.960 -5.747 1.00 32.41 ? 421 THR P N 1 ATOM 2976 C CA . THR A 1 403 ? 5.325 27.815 -4.534 1.00 26.61 ? 421 THR P CA 1 ATOM 2977 C C . THR A 1 403 ? 5.059 29.193 -3.931 1.00 28.27 ? 421 THR P C 1 ATOM 2978 O O . THR A 1 403 ? 5.988 29.995 -3.842 1.00 30.40 ? 421 THR P O 1 ATOM 2979 C CB . THR A 1 403 ? 6.200 27.059 -3.503 1.00 29.77 ? 421 THR P CB 1 ATOM 2980 O OG1 . THR A 1 403 ? 6.531 25.830 -4.150 1.00 35.13 ? 421 THR P OG1 1 ATOM 2981 C CG2 . THR A 1 403 ? 5.479 26.783 -2.226 1.00 23.23 ? 421 THR P CG2 1 ATOM 2982 N N . ALA A 1 404 ? 3.868 29.517 -3.518 1.00 30.54 ? 422 ALA P N 1 ATOM 2983 C CA . ALA A 1 404 ? 3.469 30.770 -2.941 1.00 28.70 ? 422 ALA P CA 1 ATOM 2984 C C . ALA A 1 404 ? 3.802 30.738 -1.463 1.00 25.85 ? 422 ALA P C 1 ATOM 2985 O O . ALA A 1 404 ? 3.721 29.671 -0.880 1.00 23.85 ? 422 ALA P O 1 ATOM 2986 C CB . ALA A 1 404 ? 1.928 30.917 -2.965 1.00 20.09 ? 422 ALA P CB 1 ATOM 2987 N N . HIS A 1 405 ? 4.059 31.832 -0.794 1.00 31.73 ? 423 HIS P N 1 ATOM 2988 C CA . HIS A 1 405 ? 4.285 31.752 0.672 1.00 28.94 ? 423 HIS P CA 1 ATOM 2989 C C . HIS A 1 405 ? 3.454 32.844 1.309 1.00 32.18 ? 423 HIS P C 1 ATOM 2990 O O . HIS A 1 405 ? 3.678 34.080 1.070 1.00 34.93 ? 423 HIS P O 1 ATOM 2991 C CB . HIS A 1 405 ? 5.785 31.969 0.945 1.00 24.29 ? 423 HIS P CB 1 ATOM 2992 C CG . HIS A 1 405 ? 6.590 30.756 0.551 1.00 28.79 ? 423 HIS P CG 1 ATOM 2993 N ND1 . HIS A 1 405 ? 7.387 30.782 -0.597 1.00 30.88 ? 423 HIS P ND1 1 ATOM 2994 C CD2 . HIS A 1 405 ? 6.669 29.527 1.068 1.00 18.59 ? 423 HIS P CD2 1 ATOM 2995 C CE1 . HIS A 1 405 ? 7.924 29.601 -0.799 1.00 24.76 ? 423 HIS P CE1 1 ATOM 2996 N NE2 . HIS A 1 405 ? 7.502 28.822 0.214 1.00 31.20 ? 423 HIS P NE2 1 ATOM 2997 N N . GLU A 1 406 ? 2.433 32.556 2.105 1.00 33.57 ? 424 GLU P N 1 ATOM 2998 C CA . GLU A 1 406 ? 1.687 33.578 2.853 1.00 36.53 ? 424 GLU P CA 1 ATOM 2999 C C . GLU A 1 406 ? 1.446 33.056 4.228 1.00 38.86 ? 424 GLU P C 1 ATOM 3000 O O . GLU A 1 406 ? 0.646 32.158 4.173 1.00 37.98 ? 424 GLU P O 1 ATOM 3001 C CB . GLU A 1 406 ? 0.438 34.135 2.159 1.00 38.98 ? 424 GLU P CB 1 ATOM 3002 C CG . GLU A 1 406 ? 0.035 35.501 2.727 1.00 48.23 ? 424 GLU P CG 1 ATOM 3003 C CD . GLU A 1 406 ? -1.429 35.907 2.419 1.00 57.75 ? 424 GLU P CD 1 ATOM 3004 O OE1 . GLU A 1 406 ? -2.256 35.043 2.026 1.00 51.80 ? 424 GLU P OE1 1 ATOM 3005 O OE2 . GLU A 1 406 ? -1.881 37.106 2.535 1.00 55.35 ? 424 GLU P OE2 1 ATOM 3006 N N . PRO A 1 407 ? 2.021 33.456 5.313 1.00 44.91 ? 425 PRO P N 1 ATOM 3007 C CA . PRO A 1 407 ? 2.937 34.561 5.455 1.00 43.29 ? 425 PRO P CA 1 ATOM 3008 C C . PRO A 1 407 ? 4.200 34.369 4.596 1.00 35.53 ? 425 PRO P C 1 ATOM 3009 O O . PRO A 1 407 ? 4.672 33.280 4.345 1.00 32.85 ? 425 PRO P O 1 ATOM 3010 C CB . PRO A 1 407 ? 3.312 34.778 6.909 1.00 35.14 ? 425 PRO P CB 1 ATOM 3011 C CG . PRO A 1 407 ? 2.262 33.973 7.621 1.00 39.22 ? 425 PRO P CG 1 ATOM 3012 C CD . PRO A 1 407 ? 1.738 32.975 6.652 1.00 35.03 ? 425 PRO P CD 1 ATOM 3013 N N . LEU A 1 408 ? 4.690 35.503 4.132 1.00 34.26 ? 426 LEU P N 1 ATOM 3014 C CA . LEU A 1 408 ? 5.961 35.511 3.396 1.00 30.61 ? 426 LEU P CA 1 ATOM 3015 C C . LEU A 1 408 ? 7.076 34.828 4.165 1.00 29.51 ? 426 LEU P C 1 ATOM 3016 O O . LEU A 1 408 ? 7.073 34.764 5.399 1.00 24.44 ? 426 LEU P O 1 ATOM 3017 C CB . LEU A 1 408 ? 6.110 36.998 3.208 1.00 29.16 ? 426 LEU P CB 1 ATOM 3018 C CG . LEU A 1 408 ? 6.892 38.073 3.840 1.00 34.07 ? 426 LEU P CG 1 ATOM 3019 C CD1 . LEU A 1 408 ? 6.001 39.338 3.920 1.00 32.97 ? 426 LEU P CD1 1 ATOM 3020 C CD2 . LEU A 1 408 ? 7.513 37.762 5.170 1.00 24.37 ? 426 LEU P CD2 1 ATOM 3021 N N . LEU A 1 409 ? 8.118 34.375 3.519 1.00 24.80 ? 427 LEU P N 1 ATOM 3022 C CA . LEU A 1 409 ? 9.363 33.884 4.038 1.00 26.13 ? 427 LEU P CA 1 ATOM 3023 C C . LEU A 1 409 ? 10.256 35.123 4.278 1.00 23.36 ? 427 LEU P C 1 ATOM 3024 O O . LEU A 1 409 ? 10.449 35.913 3.355 1.00 24.63 ? 427 LEU P O 1 ATOM 3025 C CB . LEU A 1 409 ? 10.195 32.974 3.139 1.00 28.72 ? 427 LEU P CB 1 ATOM 3026 C CG . LEU A 1 409 ? 9.529 31.625 2.774 1.00 36.03 ? 427 LEU P CG 1 ATOM 3027 C CD1 . LEU A 1 409 ? 10.407 30.946 1.719 1.00 22.74 ? 427 LEU P CD1 1 ATOM 3028 C CD2 . LEU A 1 409 ? 9.374 30.859 4.055 1.00 27.84 ? 427 LEU P CD2 1 ATOM 3029 N N . LEU A 1 410 ? 10.851 35.240 5.446 1.00 24.95 ? 428 LEU P N 1 ATOM 3030 C CA . LEU A 1 410 ? 11.588 36.372 5.948 1.00 26.81 ? 428 LEU P CA 1 ATOM 3031 C C . LEU A 1 410 ? 12.962 36.084 6.499 1.00 23.92 ? 428 LEU P C 1 ATOM 3032 O O . LEU A 1 410 ? 13.221 35.277 7.386 1.00 23.40 ? 428 LEU P O 1 ATOM 3033 C CB . LEU A 1 410 ? 10.776 37.113 6.985 1.00 23.29 ? 428 LEU P CB 1 ATOM 3034 C CG . LEU A 1 410 ? 11.297 38.509 7.456 1.00 30.24 ? 428 LEU P CG 1 ATOM 3035 C CD1 . LEU A 1 410 ? 11.274 39.547 6.375 1.00 23.95 ? 428 LEU P CD1 1 ATOM 3036 C CD2 . LEU A 1 410 ? 10.355 39.001 8.550 1.00 28.54 ? 428 LEU P CD2 1 ATOM 3037 N N . TYR A 1 411 ? 13.909 36.778 5.820 1.00 23.73 ? 429 TYR P N 1 ATOM 3038 C CA . TYR A 1 411 ? 15.325 36.503 6.156 1.00 25.35 ? 429 TYR P CA 1 ATOM 3039 C C . TYR A 1 411 ? 16.003 37.826 6.501 1.00 28.39 ? 429 TYR P C 1 ATOM 3040 O O . TYR A 1 411 ? 15.572 38.832 5.877 1.00 27.38 ? 429 TYR P O 1 ATOM 3041 C CB . TYR A 1 411 ? 16.188 35.979 5.000 1.00 30.71 ? 429 TYR P CB 1 ATOM 3042 C CG . TYR A 1 411 ? 15.585 34.656 4.533 1.00 24.11 ? 429 TYR P CG 1 ATOM 3043 C CD1 . TYR A 1 411 ? 15.788 33.535 5.319 1.00 26.82 ? 429 TYR P CD1 1 ATOM 3044 C CD2 . TYR A 1 411 ? 14.767 34.657 3.432 1.00 19.79 ? 429 TYR P CD2 1 ATOM 3045 C CE1 . TYR A 1 411 ? 15.215 32.347 4.965 1.00 19.61 ? 429 TYR P CE1 1 ATOM 3046 C CE2 . TYR A 1 411 ? 14.159 33.468 3.087 1.00 28.48 ? 429 TYR P CE2 1 ATOM 3047 C CZ . TYR A 1 411 ? 14.415 32.334 3.867 1.00 26.36 ? 429 TYR P CZ 1 ATOM 3048 O OH . TYR A 1 411 ? 13.854 31.162 3.464 1.00 36.26 ? 429 TYR P OH 1 ATOM 3049 N N . ASP A 1 412 ? 16.940 37.631 7.432 1.00 22.32 ? 430 ASP P N 1 ATOM 3050 C CA . ASP A 1 412 ? 17.664 38.854 7.843 1.00 24.56 ? 430 ASP P CA 1 ATOM 3051 C C . ASP A 1 412 ? 19.012 38.596 7.152 1.00 24.56 ? 430 ASP P C 1 ATOM 3052 O O . ASP A 1 412 ? 19.697 37.619 7.551 1.00 17.50 ? 430 ASP P O 1 ATOM 3053 C CB . ASP A 1 412 ? 17.802 38.890 9.371 1.00 26.13 ? 430 ASP P CB 1 ATOM 3054 C CG . ASP A 1 412 ? 18.787 39.935 9.872 1.00 28.86 ? 430 ASP P CG 1 ATOM 3055 O OD1 . ASP A 1 412 ? 19.576 40.532 9.101 1.00 32.39 ? 430 ASP P OD1 1 ATOM 3056 O OD2 . ASP A 1 412 ? 18.791 40.263 11.059 1.00 31.84 ? 430 ASP P OD2 1 ATOM 3057 N N . LEU A 1 413 ? 19.288 39.413 6.147 1.00 24.41 ? 431 LEU P N 1 ATOM 3058 C CA . LEU A 1 413 ? 20.467 39.049 5.348 1.00 28.13 ? 431 LEU P CA 1 ATOM 3059 C C . LEU A 1 413 ? 21.797 39.343 6.001 1.00 29.15 ? 431 LEU P C 1 ATOM 3060 O O . LEU A 1 413 ? 22.807 38.721 5.719 1.00 35.70 ? 431 LEU P O 1 ATOM 3061 C CB . LEU A 1 413 ? 20.364 39.653 3.981 1.00 28.47 ? 431 LEU P CB 1 ATOM 3062 C CG . LEU A 1 413 ? 19.198 39.268 3.034 1.00 25.43 ? 431 LEU P CG 1 ATOM 3063 C CD1 . LEU A 1 413 ? 19.344 40.037 1.738 1.00 16.73 ? 431 LEU P CD1 1 ATOM 3064 C CD2 . LEU A 1 413 ? 19.192 37.759 2.765 1.00 18.29 ? 431 LEU P CD2 1 ATOM 3065 N N . SER A 1 414 ? 21.808 40.218 7.004 1.00 24.10 ? 432 SER P N 1 ATOM 3066 C CA . SER A 1 414 ? 23.038 40.591 7.718 1.00 23.86 ? 432 SER P CA 1 ATOM 3067 C C . SER A 1 414 ? 23.523 39.452 8.609 1.00 25.21 ? 432 SER P C 1 ATOM 3068 O O . SER A 1 414 ? 24.745 39.391 8.825 1.00 27.90 ? 432 SER P O 1 ATOM 3069 C CB . SER A 1 414 ? 22.702 41.849 8.484 1.00 24.78 ? 432 SER P CB 1 ATOM 3070 O OG . SER A 1 414 ? 21.938 41.445 9.662 1.00 35.52 ? 432 SER P OG 1 ATOM 3071 N N . LYS A 1 415 ? 22.699 38.536 9.032 1.00 26.88 ? 433 LYS P N 1 ATOM 3072 C CA . LYS A 1 415 ? 23.136 37.412 9.854 1.00 32.23 ? 433 LYS P CA 1 ATOM 3073 C C . LYS A 1 415 ? 22.973 36.064 9.108 1.00 29.28 ? 433 LYS P C 1 ATOM 3074 O O . LYS A 1 415 ? 23.659 35.147 9.507 1.00 26.44 ? 433 LYS P O 1 ATOM 3075 C CB . LYS A 1 415 ? 22.334 37.187 11.123 1.00 31.00 ? 433 LYS P CB 1 ATOM 3076 C CG . LYS A 1 415 ? 21.804 38.358 11.894 1.00 42.90 ? 433 LYS P CG 1 ATOM 3077 C CD . LYS A 1 415 ? 21.141 37.810 13.148 1.00 50.75 ? 433 LYS P CD 1 ATOM 3078 C CE . LYS A 1 415 ? 19.808 38.405 13.509 1.00 56.72 ? 433 LYS P CE 1 ATOM 3079 N NZ . LYS A 1 415 ? 20.035 39.547 14.474 1.00 68.76 ? 433 LYS P NZ 1 ATOM 3080 N N . ASP A 1 416 ? 21.975 36.057 8.216 1.00 21.82 ? 434 ASP P N 1 ATOM 3081 C CA . ASP A 1 416 ? 21.744 34.898 7.362 1.00 21.32 ? 434 ASP P CA 1 ATOM 3082 C C . ASP A 1 416 ? 21.716 35.240 5.884 1.00 27.53 ? 434 ASP P C 1 ATOM 3083 O O . ASP A 1 416 ? 20.695 35.141 5.165 1.00 26.82 ? 434 ASP P O 1 ATOM 3084 C CB . ASP A 1 416 ? 20.372 34.419 7.842 1.00 18.76 ? 434 ASP P CB 1 ATOM 3085 C CG . ASP A 1 416 ? 19.813 33.224 7.163 1.00 21.08 ? 434 ASP P CG 1 ATOM 3086 O OD1 . ASP A 1 416 ? 20.486 32.400 6.479 1.00 29.28 ? 434 ASP P OD1 1 ATOM 3087 O OD2 . ASP A 1 416 ? 18.564 33.056 7.371 1.00 27.67 ? 434 ASP P OD2 1 ATOM 3088 N N . PRO A 1 417 ? 22.858 35.672 5.328 1.00 27.10 ? 435 PRO P N 1 ATOM 3089 C CA . PRO A 1 417 ? 22.940 35.951 3.896 1.00 22.49 ? 435 PRO P CA 1 ATOM 3090 C C . PRO A 1 417 ? 22.614 34.694 3.137 1.00 19.27 ? 435 PRO P C 1 ATOM 3091 O O . PRO A 1 417 ? 22.248 34.748 1.974 1.00 24.85 ? 435 PRO P O 1 ATOM 3092 C CB . PRO A 1 417 ? 24.369 36.398 3.650 1.00 18.66 ? 435 PRO P CB 1 ATOM 3093 C CG . PRO A 1 417 ? 25.145 35.855 4.781 1.00 23.06 ? 435 PRO P CG 1 ATOM 3094 C CD . PRO A 1 417 ? 24.197 35.818 5.925 1.00 19.89 ? 435 PRO P CD 1 ATOM 3095 N N . GLY A 1 418 ? 22.905 33.489 3.667 1.00 26.71 ? 436 GLY P N 1 ATOM 3096 C CA . GLY A 1 418 ? 22.641 32.224 3.035 1.00 22.46 ? 436 GLY P CA 1 ATOM 3097 C C . GLY A 1 418 ? 21.154 31.900 2.947 1.00 24.32 ? 436 GLY P C 1 ATOM 3098 O O . GLY A 1 418 ? 20.700 30.890 2.392 1.00 22.58 ? 436 GLY P O 1 ATOM 3099 N N . GLU A 1 419 ? 20.249 32.687 3.503 1.00 21.12 ? 437 GLU P N 1 ATOM 3100 C CA . GLU A 1 419 ? 18.807 32.487 3.344 1.00 25.31 ? 437 GLU P CA 1 ATOM 3101 C C . GLU A 1 419 ? 18.358 31.106 3.798 1.00 32.45 ? 437 GLU P C 1 ATOM 3102 O O . GLU A 1 419 ? 17.484 30.392 3.284 1.00 28.97 ? 437 GLU P O 1 ATOM 3103 C CB . GLU A 1 419 ? 18.457 32.802 1.901 1.00 25.36 ? 437 GLU P CB 1 ATOM 3104 C CG . GLU A 1 419 ? 17.935 34.106 1.392 1.00 12.78 ? 437 GLU P CG 1 ATOM 3105 C CD . GLU A 1 419 ? 17.978 34.303 -0.094 1.00 22.71 ? 437 GLU P CD 1 ATOM 3106 O OE1 . GLU A 1 419 ? 18.830 33.704 -0.873 1.00 17.56 ? 437 GLU P OE1 1 ATOM 3107 O OE2 . GLU A 1 419 ? 17.146 35.141 -0.595 1.00 20.71 ? 437 GLU P OE2 1 ATOM 3108 N N . ASN A 1 420 ? 18.880 30.717 4.986 1.00 31.02 ? 438 ASN P N 1 ATOM 3109 C CA . ASN A 1 420 ? 18.482 29.499 5.648 1.00 22.23 ? 438 ASN P CA 1 ATOM 3110 C C . ASN A 1 420 ? 17.362 29.616 6.682 1.00 25.41 ? 438 ASN P C 1 ATOM 3111 O O . ASN A 1 420 ? 16.784 28.562 6.973 1.00 26.62 ? 438 ASN P O 1 ATOM 3112 C CB . ASN A 1 420 ? 19.664 28.952 6.461 1.00 27.08 ? 438 ASN P CB 1 ATOM 3113 C CG . ASN A 1 420 ? 20.759 28.501 5.527 1.00 32.04 ? 438 ASN P CG 1 ATOM 3114 O OD1 . ASN A 1 420 ? 20.455 27.583 4.738 1.00 33.43 ? 438 ASN P OD1 1 ATOM 3115 N ND2 . ASN A 1 420 ? 21.982 29.054 5.606 1.00 31.46 ? 438 ASN P ND2 1 ATOM 3116 N N . TYR A 1 421 ? 17.173 30.656 7.476 1.00 23.53 ? 439 TYR P N 1 ATOM 3117 C CA . TYR A 1 421 ? 16.344 30.582 8.689 1.00 19.09 ? 439 TYR P CA 1 ATOM 3118 C C . TYR A 1 421 ? 15.206 31.543 8.596 1.00 24.79 ? 439 TYR P C 1 ATOM 3119 O O . TYR A 1 421 ? 15.407 32.737 8.730 1.00 22.66 ? 439 TYR P O 1 ATOM 3120 C CB . TYR A 1 421 ? 17.291 30.906 9.821 1.00 14.98 ? 439 TYR P CB 1 ATOM 3121 C CG . TYR A 1 421 ? 18.555 30.036 9.831 1.00 22.12 ? 439 TYR P CG 1 ATOM 3122 C CD1 . TYR A 1 421 ? 18.335 28.645 9.969 1.00 16.78 ? 439 TYR P CD1 1 ATOM 3123 C CD2 . TYR A 1 421 ? 19.860 30.423 9.717 1.00 14.01 ? 439 TYR P CD2 1 ATOM 3124 C CE1 . TYR A 1 421 ? 19.377 27.731 9.929 1.00 22.04 ? 439 TYR P CE1 1 ATOM 3125 C CE2 . TYR A 1 421 ? 20.942 29.534 9.738 1.00 15.84 ? 439 TYR P CE2 1 ATOM 3126 C CZ . TYR A 1 421 ? 20.701 28.167 9.789 1.00 26.97 ? 439 TYR P CZ 1 ATOM 3127 O OH . TYR A 1 421 ? 21.658 27.170 9.829 1.00 20.11 ? 439 TYR P OH 1 ATOM 3128 N N . ASN A 1 422 ? 14.024 31.022 8.256 1.00 25.37 ? 440 ASN P N 1 ATOM 3129 C CA . ASN A 1 422 ? 12.862 31.874 8.082 1.00 28.99 ? 440 ASN P CA 1 ATOM 3130 C C . ASN A 1 422 ? 12.521 32.510 9.403 1.00 27.82 ? 440 ASN P C 1 ATOM 3131 O O . ASN A 1 422 ? 12.281 31.765 10.362 1.00 27.90 ? 440 ASN P O 1 ATOM 3132 C CB . ASN A 1 422 ? 11.681 30.975 7.614 1.00 27.08 ? 440 ASN P CB 1 ATOM 3133 C CG . ASN A 1 422 ? 10.395 31.782 7.438 1.00 28.69 ? 440 ASN P CG 1 ATOM 3134 O OD1 . ASN A 1 422 ? 9.336 31.238 7.218 1.00 31.04 ? 440 ASN P OD1 1 ATOM 3135 N ND2 . ASN A 1 422 ? 10.351 33.106 7.462 1.00 22.59 ? 440 ASN P ND2 1 ATOM 3136 N N . LEU A 1 423 ? 12.501 33.781 9.575 1.00 27.37 ? 441 LEU P N 1 ATOM 3137 C CA . LEU A 1 423 ? 12.251 34.379 10.882 1.00 25.97 ? 441 LEU P CA 1 ATOM 3138 C C . LEU A 1 423 ? 10.770 34.259 11.209 1.00 32.47 ? 441 LEU P C 1 ATOM 3139 O O . LEU A 1 423 ? 10.363 34.527 12.293 1.00 37.81 ? 441 LEU P O 1 ATOM 3140 C CB . LEU A 1 423 ? 12.536 35.887 10.897 1.00 29.12 ? 441 LEU P CB 1 ATOM 3141 C CG . LEU A 1 423 ? 14.011 36.225 10.603 1.00 27.77 ? 441 LEU P CG 1 ATOM 3142 C CD1 . LEU A 1 423 ? 14.267 37.724 10.669 1.00 34.06 ? 441 LEU P CD1 1 ATOM 3143 C CD2 . LEU A 1 423 ? 14.841 35.574 11.683 1.00 25.12 ? 441 LEU P CD2 1 ATOM 3144 N N . LEU A 1 424 ? 9.898 33.936 10.297 1.00 35.16 ? 442 LEU P N 1 ATOM 3145 C CA . LEU A 1 424 ? 8.484 33.803 10.650 1.00 35.10 ? 442 LEU P CA 1 ATOM 3146 C C . LEU A 1 424 ? 8.315 32.329 10.873 1.00 43.47 ? 442 LEU P C 1 ATOM 3147 O O . LEU A 1 424 ? 7.218 31.890 10.851 1.00 42.91 ? 442 LEU P O 1 ATOM 3148 C CB . LEU A 1 424 ? 7.678 34.332 9.447 1.00 33.05 ? 442 LEU P CB 1 ATOM 3149 C CG . LEU A 1 424 ? 6.955 35.637 9.583 1.00 35.78 ? 442 LEU P CG 1 ATOM 3150 C CD1 . LEU A 1 424 ? 7.541 36.455 10.723 1.00 40.62 ? 442 LEU P CD1 1 ATOM 3151 C CD2 . LEU A 1 424 ? 6.871 36.435 8.276 1.00 31.87 ? 442 LEU P CD2 1 ATOM 3152 N N . GLY A 1 425 ? 9.272 31.424 10.974 1.00 64.58 ? 443 GLY P N 1 ATOM 3153 C CA . GLY A 1 425 ? 9.083 29.991 11.123 1.00 74.66 ? 443 GLY P CA 1 ATOM 3154 C C . GLY A 1 425 ? 7.769 29.561 11.755 1.00 89.12 ? 443 GLY P C 1 ATOM 3155 O O . GLY A 1 425 ? 7.141 29.965 12.743 1.00 94.83 ? 443 GLY P O 1 ATOM 3156 N N . ALA A 1 430 ? 7.203 37.412 15.170 1.00 71.27 ? 448 ALA P N 1 ATOM 3157 C CA . ALA A 1 430 ? 7.103 37.335 16.634 1.00 68.01 ? 448 ALA P CA 1 ATOM 3158 C C . ALA A 1 430 ? 7.537 38.691 17.187 1.00 65.02 ? 448 ALA P C 1 ATOM 3159 O O . ALA A 1 430 ? 6.704 39.501 17.614 1.00 67.57 ? 448 ALA P O 1 ATOM 3160 C CB . ALA A 1 430 ? 7.835 36.115 17.186 1.00 61.36 ? 448 ALA P CB 1 ATOM 3161 N N . THR A 1 431 ? 8.821 38.999 17.175 1.00 61.56 ? 449 THR P N 1 ATOM 3162 C CA . THR A 1 431 ? 9.363 40.266 17.620 1.00 54.46 ? 449 THR P CA 1 ATOM 3163 C C . THR A 1 431 ? 8.739 41.446 16.957 1.00 50.50 ? 449 THR P C 1 ATOM 3164 O O . THR A 1 431 ? 8.361 41.388 15.797 1.00 60.29 ? 449 THR P O 1 ATOM 3165 C CB . THR A 1 431 ? 10.854 40.294 17.166 1.00 55.58 ? 449 THR P CB 1 ATOM 3166 O OG1 . THR A 1 431 ? 11.519 40.153 18.380 1.00 56.51 ? 449 THR P OG1 1 ATOM 3167 C CG2 . THR A 1 431 ? 11.404 41.561 16.545 1.00 53.55 ? 449 THR P CG2 1 ATOM 3168 N N . PRO A 1 432 ? 8.869 42.626 17.545 1.00 54.37 ? 450 PRO P N 1 ATOM 3169 C CA . PRO A 1 432 ? 8.330 43.858 16.983 1.00 46.68 ? 450 PRO P CA 1 ATOM 3170 C C . PRO A 1 432 ? 9.102 44.416 15.827 1.00 42.54 ? 450 PRO P C 1 ATOM 3171 O O . PRO A 1 432 ? 8.582 45.188 15.010 1.00 39.83 ? 450 PRO P O 1 ATOM 3172 C CB . PRO A 1 432 ? 8.329 44.827 18.201 1.00 49.01 ? 450 PRO P CB 1 ATOM 3173 C CG . PRO A 1 432 ? 8.413 43.915 19.379 1.00 43.86 ? 450 PRO P CG 1 ATOM 3174 C CD . PRO A 1 432 ? 9.375 42.851 18.950 1.00 45.43 ? 450 PRO P CD 1 ATOM 3175 N N . GLU A 1 433 ? 10.391 44.090 15.748 1.00 40.90 ? 451 GLU P N 1 ATOM 3176 C CA . GLU A 1 433 ? 11.225 44.538 14.626 1.00 46.05 ? 451 GLU P CA 1 ATOM 3177 C C . GLU A 1 433 ? 10.837 43.738 13.370 1.00 40.28 ? 451 GLU P C 1 ATOM 3178 O O . GLU A 1 433 ? 10.594 44.250 12.275 1.00 46.50 ? 451 GLU P O 1 ATOM 3179 C CB . GLU A 1 433 ? 12.698 44.368 15.004 1.00 60.38 ? 451 GLU P CB 1 ATOM 3180 C CG . GLU A 1 433 ? 13.611 45.452 14.467 1.00 74.12 ? 451 GLU P CG 1 ATOM 3181 C CD . GLU A 1 433 ? 14.933 45.033 13.869 1.00 81.11 ? 451 GLU P CD 1 ATOM 3182 O OE1 . GLU A 1 433 ? 15.714 44.403 14.629 1.00 90.66 ? 451 GLU P OE1 1 ATOM 3183 O OE2 . GLU A 1 433 ? 15.254 45.320 12.685 1.00 82.10 ? 451 GLU P OE2 1 ATOM 3184 N N . VAL A 1 434 ? 10.507 42.483 13.627 1.00 29.96 ? 452 VAL P N 1 ATOM 3185 C CA . VAL A 1 434 ? 10.043 41.565 12.631 1.00 37.07 ? 452 VAL P CA 1 ATOM 3186 C C . VAL A 1 434 ? 8.657 41.910 12.132 1.00 36.57 ? 452 VAL P C 1 ATOM 3187 O O . VAL A 1 434 ? 8.499 42.059 10.919 1.00 31.89 ? 452 VAL P O 1 ATOM 3188 C CB . VAL A 1 434 ? 10.124 40.119 13.121 1.00 36.50 ? 452 VAL P CB 1 ATOM 3189 C CG1 . VAL A 1 434 ? 9.387 39.234 12.141 1.00 34.00 ? 452 VAL P CG1 1 ATOM 3190 C CG2 . VAL A 1 434 ? 11.576 39.704 13.280 1.00 26.07 ? 452 VAL P CG2 1 ATOM 3191 N N . LEU A 1 435 ? 7.746 42.161 13.077 1.00 35.37 ? 453 LEU P N 1 ATOM 3192 C CA . LEU A 1 435 ? 6.406 42.535 12.571 1.00 32.64 ? 453 LEU P CA 1 ATOM 3193 C C . LEU A 1 435 ? 6.409 43.826 11.772 1.00 34.57 ? 453 LEU P C 1 ATOM 3194 O O . LEU A 1 435 ? 5.766 44.019 10.749 1.00 34.64 ? 453 LEU P O 1 ATOM 3195 C CB . LEU A 1 435 ? 5.622 42.744 13.817 1.00 42.18 ? 453 LEU P CB 1 ATOM 3196 C CG . LEU A 1 435 ? 4.459 41.832 14.092 1.00 55.88 ? 453 LEU P CG 1 ATOM 3197 C CD1 . LEU A 1 435 ? 4.961 40.399 14.210 1.00 62.63 ? 453 LEU P CD1 1 ATOM 3198 C CD2 . LEU A 1 435 ? 3.862 42.276 15.430 1.00 57.96 ? 453 LEU P CD2 1 ATOM 3199 N N . GLN A 1 436 ? 7.293 44.770 12.122 1.00 38.39 ? 454 GLN P N 1 ATOM 3200 C CA . GLN A 1 436 ? 7.393 46.042 11.422 1.00 36.57 ? 454 GLN P CA 1 ATOM 3201 C C . GLN A 1 436 ? 8.046 45.745 10.064 1.00 37.73 ? 454 GLN P C 1 ATOM 3202 O O . GLN A 1 436 ? 7.462 46.270 9.133 1.00 33.09 ? 454 GLN P O 1 ATOM 3203 C CB . GLN A 1 436 ? 8.178 47.114 12.177 1.00 32.40 ? 454 GLN P CB 1 ATOM 3204 N N . ALA A 1 437 ? 9.033 44.863 9.955 1.00 37.64 ? 455 ALA P N 1 ATOM 3205 C CA . ALA A 1 437 ? 9.602 44.565 8.638 1.00 33.50 ? 455 ALA P CA 1 ATOM 3206 C C . ALA A 1 437 ? 8.529 43.888 7.802 1.00 31.73 ? 455 ALA P C 1 ATOM 3207 O O . ALA A 1 437 ? 8.415 44.259 6.624 1.00 32.56 ? 455 ALA P O 1 ATOM 3208 C CB . ALA A 1 437 ? 10.812 43.603 8.837 1.00 35.33 ? 455 ALA P CB 1 ATOM 3209 N N . LEU A 1 438 ? 7.738 43.006 8.414 1.00 28.23 ? 456 LEU P N 1 ATOM 3210 C CA . LEU A 1 438 ? 6.746 42.268 7.582 1.00 32.22 ? 456 LEU P CA 1 ATOM 3211 C C . LEU A 1 438 ? 5.728 43.222 6.974 1.00 35.88 ? 456 LEU P C 1 ATOM 3212 O O . LEU A 1 438 ? 5.451 43.205 5.782 1.00 37.37 ? 456 LEU P O 1 ATOM 3213 C CB . LEU A 1 438 ? 6.152 41.163 8.406 1.00 38.86 ? 456 LEU P CB 1 ATOM 3214 C CG . LEU A 1 438 ? 4.759 40.596 8.326 1.00 43.42 ? 456 LEU P CG 1 ATOM 3215 C CD1 . LEU A 1 438 ? 4.626 39.835 7.007 1.00 48.37 ? 456 LEU P CD1 1 ATOM 3216 C CD2 . LEU A 1 438 ? 4.507 39.519 9.372 1.00 48.02 ? 456 LEU P CD2 1 ATOM 3217 N N . LYS A 1 439 ? 5.239 44.169 7.738 1.00 35.28 ? 457 LYS P N 1 ATOM 3218 C CA . LYS A 1 439 ? 4.257 45.129 7.283 1.00 34.46 ? 457 LYS P CA 1 ATOM 3219 C C . LYS A 1 439 ? 4.780 46.078 6.238 1.00 35.23 ? 457 LYS P C 1 ATOM 3220 O O . LYS A 1 439 ? 4.124 46.365 5.236 1.00 40.50 ? 457 LYS P O 1 ATOM 3221 C CB . LYS A 1 439 ? 3.722 45.880 8.508 1.00 35.27 ? 457 LYS P CB 1 ATOM 3222 C CG . LYS A 1 439 ? 2.933 44.872 9.394 1.00 33.89 ? 457 LYS P CG 1 ATOM 3223 C CD . LYS A 1 439 ? 2.734 45.503 10.750 1.00 45.70 ? 457 LYS P CD 1 ATOM 3224 C CE . LYS A 1 439 ? 1.458 44.997 11.413 1.00 63.72 ? 457 LYS P CE 1 ATOM 3225 N NZ . LYS A 1 439 ? 0.721 44.023 10.487 1.00 71.36 ? 457 LYS P NZ 1 ATOM 3226 N N . GLN A 1 440 ? 6.010 46.502 6.382 1.00 32.59 ? 458 GLN P N 1 ATOM 3227 C CA . GLN A 1 440 ? 6.664 47.323 5.375 1.00 36.17 ? 458 GLN P CA 1 ATOM 3228 C C . GLN A 1 440 ? 6.872 46.516 4.103 1.00 27.13 ? 458 GLN P C 1 ATOM 3229 O O . GLN A 1 440 ? 6.375 46.970 3.066 1.00 30.81 ? 458 GLN P O 1 ATOM 3230 C CB . GLN A 1 440 ? 7.997 47.840 5.951 1.00 33.90 ? 458 GLN P CB 1 ATOM 3231 N N . LEU A 1 441 ? 7.453 45.313 4.166 1.00 24.88 ? 459 LEU P N 1 ATOM 3232 C CA . LEU A 1 441 ? 7.640 44.545 2.928 1.00 30.90 ? 459 LEU P CA 1 ATOM 3233 C C . LEU A 1 441 ? 6.324 44.266 2.234 1.00 33.52 ? 459 LEU P C 1 ATOM 3234 O O . LEU A 1 441 ? 6.314 44.208 1.024 1.00 32.82 ? 459 LEU P O 1 ATOM 3235 C CB . LEU A 1 441 ? 8.360 43.216 3.136 1.00 23.24 ? 459 LEU P CB 1 ATOM 3236 C CG . LEU A 1 441 ? 9.715 43.520 3.840 1.00 31.25 ? 459 LEU P CG 1 ATOM 3237 C CD1 . LEU A 1 441 ? 10.382 42.339 4.482 1.00 23.59 ? 459 LEU P CD1 1 ATOM 3238 C CD2 . LEU A 1 441 ? 10.699 44.048 2.767 1.00 36.48 ? 459 LEU P CD2 1 ATOM 3239 N N . GLN A 1 442 ? 5.245 43.984 2.962 1.00 26.56 ? 460 GLN P N 1 ATOM 3240 C CA . GLN A 1 442 ? 4.007 43.629 2.344 1.00 30.21 ? 460 GLN P CA 1 ATOM 3241 C C . GLN A 1 442 ? 3.439 44.830 1.609 1.00 33.22 ? 460 GLN P C 1 ATOM 3242 O O . GLN A 1 442 ? 2.929 44.653 0.491 1.00 32.45 ? 460 GLN P O 1 ATOM 3243 C CB . GLN A 1 442 ? 3.018 43.081 3.339 1.00 25.74 ? 460 GLN P CB 1 ATOM 3244 C CG . GLN A 1 442 ? 3.406 41.741 3.894 1.00 39.72 ? 460 GLN P CG 1 ATOM 3245 C CD . GLN A 1 442 ? 2.452 41.164 4.916 1.00 56.15 ? 460 GLN P CD 1 ATOM 3246 O OE1 . GLN A 1 442 ? 1.888 41.878 5.765 1.00 70.14 ? 460 GLN P OE1 1 ATOM 3247 N NE2 . GLN A 1 442 ? 2.209 39.845 4.920 1.00 63.89 ? 460 GLN P NE2 1 ATOM 3248 N N . LEU A 1 443 ? 3.658 46.004 2.186 1.00 31.88 ? 461 LEU P N 1 ATOM 3249 C CA . LEU A 1 443 ? 3.176 47.253 1.557 1.00 33.97 ? 461 LEU P CA 1 ATOM 3250 C C . LEU A 1 443 ? 4.069 47.634 0.393 1.00 33.95 ? 461 LEU P C 1 ATOM 3251 O O . LEU A 1 443 ? 3.494 48.173 -0.537 1.00 31.12 ? 461 LEU P O 1 ATOM 3252 C CB . LEU A 1 443 ? 3.101 48.359 2.571 1.00 29.26 ? 461 LEU P CB 1 ATOM 3253 C CG . LEU A 1 443 ? 2.473 49.730 2.263 1.00 35.21 ? 461 LEU P CG 1 ATOM 3254 C CD1 . LEU A 1 443 ? 0.985 49.627 1.990 1.00 30.17 ? 461 LEU P CD1 1 ATOM 3255 C CD2 . LEU A 1 443 ? 2.767 50.630 3.479 1.00 23.36 ? 461 LEU P CD2 1 ATOM 3256 N N . LEU A 1 444 ? 5.409 47.510 0.438 1.00 34.14 ? 462 LEU P N 1 ATOM 3257 C CA . LEU A 1 444 ? 6.208 47.795 -0.740 1.00 30.84 ? 462 LEU P CA 1 ATOM 3258 C C . LEU A 1 444 ? 5.818 46.843 -1.858 1.00 28.52 ? 462 LEU P C 1 ATOM 3259 O O . LEU A 1 444 ? 5.618 47.355 -2.976 1.00 31.96 ? 462 LEU P O 1 ATOM 3260 C CB . LEU A 1 444 ? 7.692 47.608 -0.487 1.00 35.52 ? 462 LEU P CB 1 ATOM 3261 C CG . LEU A 1 444 ? 8.252 48.574 0.589 1.00 40.39 ? 462 LEU P CG 1 ATOM 3262 C CD1 . LEU A 1 444 ? 9.595 48.113 1.099 1.00 33.29 ? 462 LEU P CD1 1 ATOM 3263 C CD2 . LEU A 1 444 ? 8.337 49.940 -0.088 1.00 31.10 ? 462 LEU P CD2 1 ATOM 3264 N N . LYS A 1 445 ? 5.451 45.559 -1.622 1.00 32.42 ? 463 LYS P N 1 ATOM 3265 C CA . LYS A 1 445 ? 5.043 44.785 -2.813 1.00 31.93 ? 463 LYS P CA 1 ATOM 3266 C C . LYS A 1 445 ? 3.721 45.286 -3.350 1.00 31.59 ? 463 LYS P C 1 ATOM 3267 O O . LYS A 1 445 ? 3.485 45.469 -4.558 1.00 32.58 ? 463 LYS P O 1 ATOM 3268 C CB . LYS A 1 445 ? 5.116 43.300 -2.560 1.00 31.76 ? 463 LYS P CB 1 ATOM 3269 C CG . LYS A 1 445 ? 4.016 42.401 -3.106 1.00 30.46 ? 463 LYS P CG 1 ATOM 3270 C CD . LYS A 1 445 ? 4.351 40.894 -3.056 1.00 27.39 ? 463 LYS P CD 1 ATOM 3271 C CE . LYS A 1 445 ? 3.294 40.296 -4.041 1.00 28.85 ? 463 LYS P CE 1 ATOM 3272 N NZ . LYS A 1 445 ? 3.804 40.292 -5.485 1.00 31.24 ? 463 LYS P NZ 1 ATOM 3273 N N . ALA A 1 446 ? 2.742 45.587 -2.512 1.00 32.04 ? 464 ALA P N 1 ATOM 3274 C CA . ALA A 1 446 ? 1.415 45.942 -3.018 1.00 29.63 ? 464 ALA P CA 1 ATOM 3275 C C . ALA A 1 446 ? 1.507 47.282 -3.706 1.00 29.42 ? 464 ALA P C 1 ATOM 3276 O O . ALA A 1 446 ? 0.845 47.454 -4.710 1.00 30.21 ? 464 ALA P O 1 ATOM 3277 C CB . ALA A 1 446 ? 0.341 45.919 -1.939 1.00 31.88 ? 464 ALA P CB 1 ATOM 3278 N N . GLN A 1 447 ? 2.398 48.161 -3.275 1.00 33.99 ? 465 GLN P N 1 ATOM 3279 C CA . GLN A 1 447 ? 2.544 49.466 -3.886 1.00 33.44 ? 465 GLN P CA 1 ATOM 3280 C C . GLN A 1 447 ? 3.126 49.294 -5.272 1.00 37.22 ? 465 GLN P C 1 ATOM 3281 O O . GLN A 1 447 ? 2.544 49.827 -6.234 1.00 39.75 ? 465 GLN P O 1 ATOM 3282 C CB . GLN A 1 447 ? 3.457 50.378 -2.999 1.00 34.67 ? 465 GLN P CB 1 ATOM 3283 C CG . GLN A 1 447 ? 2.540 50.966 -1.897 1.00 37.75 ? 465 GLN P CG 1 ATOM 3284 C CD . GLN A 1 447 ? 3.321 51.798 -0.910 1.00 45.78 ? 465 GLN P CD 1 ATOM 3285 O OE1 . GLN A 1 447 ? 2.696 52.679 -0.304 1.00 46.69 ? 465 GLN P OE1 1 ATOM 3286 N NE2 . GLN A 1 447 ? 4.615 51.572 -0.692 1.00 45.38 ? 465 GLN P NE2 1 ATOM 3287 N N . LEU A 1 448 ? 4.223 48.510 -5.282 1.00 31.62 ? 466 LEU P N 1 ATOM 3288 C CA . LEU A 1 448 ? 4.822 48.357 -6.608 1.00 30.98 ? 466 LEU P CA 1 ATOM 3289 C C . LEU A 1 448 ? 3.902 47.626 -7.553 1.00 32.88 ? 466 LEU P C 1 ATOM 3290 O O . LEU A 1 448 ? 3.724 48.054 -8.696 1.00 38.24 ? 466 LEU P O 1 ATOM 3291 C CB . LEU A 1 448 ? 6.199 47.700 -6.402 1.00 31.25 ? 466 LEU P CB 1 ATOM 3292 C CG . LEU A 1 448 ? 6.901 47.650 -7.796 1.00 42.28 ? 466 LEU P CG 1 ATOM 3293 C CD1 . LEU A 1 448 ? 7.960 48.702 -7.902 1.00 41.21 ? 466 LEU P CD1 1 ATOM 3294 C CD2 . LEU A 1 448 ? 7.547 46.299 -8.096 1.00 36.49 ? 466 LEU P CD2 1 ATOM 3295 N N . ASP A 1 449 ? 3.328 46.498 -7.132 1.00 32.90 ? 467 ASP P N 1 ATOM 3296 C CA . ASP A 1 449 ? 2.469 45.757 -8.052 1.00 36.56 ? 467 ASP P CA 1 ATOM 3297 C C . ASP A 1 449 ? 1.318 46.666 -8.498 1.00 34.28 ? 467 ASP P C 1 ATOM 3298 O O . ASP A 1 449 ? 0.887 46.578 -9.626 1.00 36.96 ? 467 ASP P O 1 ATOM 3299 C CB . ASP A 1 449 ? 1.845 44.533 -7.400 1.00 34.77 ? 467 ASP P CB 1 ATOM 3300 C CG . ASP A 1 449 ? 2.772 43.390 -7.187 1.00 36.25 ? 467 ASP P CG 1 ATOM 3301 O OD1 . ASP A 1 449 ? 3.836 43.220 -7.825 1.00 29.43 ? 467 ASP P OD1 1 ATOM 3302 O OD2 . ASP A 1 449 ? 2.398 42.516 -6.380 1.00 38.70 ? 467 ASP P OD2 1 ATOM 3303 N N . ALA A 1 450 ? 0.730 47.456 -7.621 1.00 41.70 ? 468 ALA P N 1 ATOM 3304 C CA . ALA A 1 450 ? -0.378 48.305 -8.127 1.00 37.68 ? 468 ALA P CA 1 ATOM 3305 C C . ALA A 1 450 ? 0.127 49.380 -9.072 1.00 36.82 ? 468 ALA P C 1 ATOM 3306 O O . ALA A 1 450 ? -0.590 49.755 -9.994 1.00 39.36 ? 468 ALA P O 1 ATOM 3307 C CB . ALA A 1 450 ? -1.168 48.811 -6.961 1.00 31.81 ? 468 ALA P CB 1 ATOM 3308 N N . ALA A 1 451 ? 1.297 49.951 -9.039 1.00 32.07 ? 469 ALA P N 1 ATOM 3309 C CA . ALA A 1 451 ? 1.807 50.987 -9.871 1.00 35.52 ? 469 ALA P CA 1 ATOM 3310 C C . ALA A 1 451 ? 2.572 50.659 -11.138 1.00 42.22 ? 469 ALA P C 1 ATOM 3311 O O . ALA A 1 451 ? 2.835 51.653 -11.876 1.00 44.96 ? 469 ALA P O 1 ATOM 3312 C CB . ALA A 1 451 ? 2.848 51.799 -9.067 1.00 23.05 ? 469 ALA P CB 1 ATOM 3313 N N . VAL A 1 452 ? 3.097 49.481 -11.349 1.00 43.70 ? 470 VAL P N 1 ATOM 3314 C CA . VAL A 1 452 ? 3.842 49.122 -12.557 1.00 44.99 ? 470 VAL P CA 1 ATOM 3315 C C . VAL A 1 452 ? 2.914 48.441 -13.521 1.00 46.83 ? 470 VAL P C 1 ATOM 3316 O O . VAL A 1 452 ? 2.339 47.426 -13.075 1.00 53.93 ? 470 VAL P O 1 ATOM 3317 C CB . VAL A 1 452 ? 4.933 48.114 -12.143 1.00 44.10 ? 470 VAL P CB 1 ATOM 3318 C CG1 . VAL A 1 452 ? 5.286 47.155 -13.247 1.00 44.12 ? 470 VAL P CG1 1 ATOM 3319 C CG2 . VAL A 1 452 ? 6.178 48.839 -11.673 1.00 39.47 ? 470 VAL P CG2 1 ATOM 3320 N N . THR A 1 453 ? 2.684 48.861 -14.755 1.00 53.36 ? 471 THR P N 1 ATOM 3321 C CA . THR A 1 453 ? 1.837 48.061 -15.679 1.00 51.89 ? 471 THR P CA 1 ATOM 3322 C C . THR A 1 453 ? 2.884 47.438 -16.596 1.00 47.98 ? 471 THR P C 1 ATOM 3323 O O . THR A 1 453 ? 3.900 48.083 -16.808 1.00 42.92 ? 471 THR P O 1 ATOM 3324 C CB . THR A 1 453 ? 0.903 48.826 -16.595 1.00 60.25 ? 471 THR P CB 1 ATOM 3325 O OG1 . THR A 1 453 ? 1.633 50.054 -16.890 1.00 70.05 ? 471 THR P OG1 1 ATOM 3326 C CG2 . THR A 1 453 ? -0.417 49.137 -15.911 1.00 59.14 ? 471 THR P CG2 1 ATOM 3327 N N . PHE A 1 454 ? 2.788 46.175 -16.927 1.00 50.10 ? 472 PHE P N 1 ATOM 3328 C CA . PHE A 1 454 ? 3.872 45.587 -17.682 1.00 43.58 ? 472 PHE P CA 1 ATOM 3329 C C . PHE A 1 454 ? 3.844 46.116 -19.105 1.00 45.06 ? 472 PHE P C 1 ATOM 3330 O O . PHE A 1 454 ? 2.774 46.168 -19.721 1.00 42.65 ? 472 PHE P O 1 ATOM 3331 C CB . PHE A 1 454 ? 3.630 44.064 -17.679 1.00 45.16 ? 472 PHE P CB 1 ATOM 3332 C CG . PHE A 1 454 ? 4.039 43.249 -16.489 1.00 46.64 ? 472 PHE P CG 1 ATOM 3333 C CD1 . PHE A 1 454 ? 4.198 43.775 -15.213 1.00 43.57 ? 472 PHE P CD1 1 ATOM 3334 C CD2 . PHE A 1 454 ? 4.243 41.875 -16.640 1.00 41.09 ? 472 PHE P CD2 1 ATOM 3335 C CE1 . PHE A 1 454 ? 4.552 42.963 -14.155 1.00 40.52 ? 472 PHE P CE1 1 ATOM 3336 C CE2 . PHE A 1 454 ? 4.588 41.048 -15.613 1.00 44.13 ? 472 PHE P CE2 1 ATOM 3337 C CZ . PHE A 1 454 ? 4.746 41.619 -14.351 1.00 47.50 ? 472 PHE P CZ 1 ATOM 3338 N N . GLY A 1 455 ? 4.987 46.359 -19.755 1.00 46.76 ? 473 GLY P N 1 ATOM 3339 C CA . GLY A 1 455 ? 4.994 46.562 -21.216 1.00 44.77 ? 473 GLY P CA 1 ATOM 3340 C C . GLY A 1 455 ? 4.692 45.224 -21.880 1.00 44.08 ? 473 GLY P C 1 ATOM 3341 O O . GLY A 1 455 ? 5.069 44.180 -21.378 1.00 48.76 ? 473 GLY P O 1 ATOM 3342 N N . PRO A 1 456 ? 4.013 45.260 -23.006 1.00 51.45 ? 474 PRO P N 1 ATOM 3343 C CA . PRO A 1 456 ? 3.650 44.111 -23.840 1.00 47.58 ? 474 PRO P CA 1 ATOM 3344 C C . PRO A 1 456 ? 4.910 43.377 -24.258 1.00 44.61 ? 474 PRO P C 1 ATOM 3345 O O . PRO A 1 456 ? 5.914 44.014 -24.606 1.00 45.61 ? 474 PRO P O 1 ATOM 3346 C CB . PRO A 1 456 ? 3.008 44.673 -25.123 1.00 45.29 ? 474 PRO P CB 1 ATOM 3347 C CG . PRO A 1 456 ? 3.479 46.087 -25.133 1.00 50.90 ? 474 PRO P CG 1 ATOM 3348 C CD . PRO A 1 456 ? 3.614 46.553 -23.709 1.00 50.35 ? 474 PRO P CD 1 ATOM 3349 N N . SER A 1 457 ? 4.876 42.075 -24.079 1.00 40.36 ? 475 SER P N 1 ATOM 3350 C CA . SER A 1 457 ? 6.116 41.361 -24.296 1.00 44.69 ? 475 SER P CA 1 ATOM 3351 C C . SER A 1 457 ? 6.708 41.416 -25.689 1.00 48.55 ? 475 SER P C 1 ATOM 3352 O O . SER A 1 457 ? 6.123 40.920 -26.651 1.00 53.24 ? 475 SER P O 1 ATOM 3353 C CB . SER A 1 457 ? 5.788 39.865 -23.963 1.00 45.75 ? 475 SER P CB 1 ATOM 3354 O OG . SER A 1 457 ? 6.978 39.119 -24.246 1.00 48.31 ? 475 SER P OG 1 ATOM 3355 N N . GLN A 1 458 ? 7.973 41.766 -25.787 1.00 49.74 ? 476 GLN P N 1 ATOM 3356 C CA . GLN A 1 458 ? 8.843 41.673 -26.915 1.00 44.34 ? 476 GLN P CA 1 ATOM 3357 C C . GLN A 1 458 ? 9.121 40.210 -27.237 1.00 48.54 ? 476 GLN P C 1 ATOM 3358 O O . GLN A 1 458 ? 8.973 39.773 -28.388 1.00 49.00 ? 476 GLN P O 1 ATOM 3359 C CB . GLN A 1 458 ? 10.180 42.319 -26.576 1.00 41.95 ? 476 GLN P CB 1 ATOM 3360 C CG . GLN A 1 458 ? 10.018 43.839 -26.698 1.00 52.65 ? 476 GLN P CG 1 ATOM 3361 C CD . GLN A 1 458 ? 9.422 44.284 -28.039 1.00 54.94 ? 476 GLN P CD 1 ATOM 3362 O OE1 . GLN A 1 458 ? 9.857 43.937 -29.146 1.00 49.62 ? 476 GLN P OE1 1 ATOM 3363 N NE2 . GLN A 1 458 ? 8.376 45.096 -27.888 1.00 49.77 ? 476 GLN P NE2 1 ATOM 3364 N N . VAL A 1 459 ? 9.440 39.419 -26.207 1.00 48.67 ? 477 VAL P N 1 ATOM 3365 C CA . VAL A 1 459 ? 9.747 37.996 -26.490 1.00 48.18 ? 477 VAL P CA 1 ATOM 3366 C C . VAL A 1 459 ? 8.565 37.245 -27.048 1.00 49.97 ? 477 VAL P C 1 ATOM 3367 O O . VAL A 1 459 ? 8.741 36.275 -27.790 1.00 60.72 ? 477 VAL P O 1 ATOM 3368 C CB . VAL A 1 459 ? 10.304 37.233 -25.278 1.00 43.23 ? 477 VAL P CB 1 ATOM 3369 C CG1 . VAL A 1 459 ? 10.387 35.730 -25.543 1.00 37.72 ? 477 VAL P CG1 1 ATOM 3370 C CG2 . VAL A 1 459 ? 11.627 37.777 -24.784 1.00 40.07 ? 477 VAL P CG2 1 ATOM 3371 N N . ALA A 1 460 ? 7.309 37.641 -26.843 1.00 49.31 ? 478 ALA P N 1 ATOM 3372 C CA . ALA A 1 460 ? 6.238 36.813 -27.415 1.00 51.96 ? 478 ALA P CA 1 ATOM 3373 C C . ALA A 1 460 ? 5.863 37.290 -28.807 1.00 55.99 ? 478 ALA P C 1 ATOM 3374 O O . ALA A 1 460 ? 5.039 36.722 -29.518 1.00 56.98 ? 478 ALA P O 1 ATOM 3375 C CB . ALA A 1 460 ? 5.070 36.745 -26.444 1.00 42.85 ? 478 ALA P CB 1 ATOM 3376 N N . ARG A 1 461 ? 6.612 38.271 -29.346 1.00 52.55 ? 479 ARG P N 1 ATOM 3377 C CA . ARG A 1 461 ? 6.376 38.711 -30.697 1.00 49.84 ? 479 ARG P CA 1 ATOM 3378 C C . ARG A 1 461 ? 6.796 37.584 -31.628 1.00 51.85 ? 479 ARG P C 1 ATOM 3379 O O . ARG A 1 461 ? 6.346 37.509 -32.763 1.00 55.53 ? 479 ARG P O 1 ATOM 3380 C CB . ARG A 1 461 ? 7.006 40.032 -30.931 1.00 51.78 ? 479 ARG P CB 1 ATOM 3381 C CG . ARG A 1 461 ? 6.099 41.199 -30.472 1.00 41.68 ? 479 ARG P CG 1 ATOM 3382 C CD . ARG A 1 461 ? 7.115 42.377 -30.503 1.00 48.66 ? 479 ARG P CD 1 ATOM 3383 N NE . ARG A 1 461 ? 7.258 42.757 -31.910 1.00 57.80 ? 479 ARG P NE 1 ATOM 3384 C CZ . ARG A 1 461 ? 8.065 43.667 -32.428 1.00 62.78 ? 479 ARG P CZ 1 ATOM 3385 N NH1 . ARG A 1 461 ? 8.939 44.401 -31.735 1.00 62.09 ? 479 ARG P NH1 1 ATOM 3386 N NH2 . ARG A 1 461 ? 7.936 43.825 -33.742 1.00 64.56 ? 479 ARG P NH2 1 ATOM 3387 N N . GLY A 1 462 ? 7.469 36.574 -31.147 1.00 44.33 ? 480 GLY P N 1 ATOM 3388 C CA . GLY A 1 462 ? 7.704 35.399 -31.898 1.00 42.57 ? 480 GLY P CA 1 ATOM 3389 C C . GLY A 1 462 ? 9.043 35.386 -32.608 1.00 40.49 ? 480 GLY P C 1 ATOM 3390 O O . GLY A 1 462 ? 9.901 36.240 -32.452 1.00 41.37 ? 480 GLY P O 1 ATOM 3391 N N . GLU A 1 463 ? 9.136 34.330 -33.427 1.00 44.45 ? 481 GLU P N 1 ATOM 3392 C CA . GLU A 1 463 ? 10.350 34.090 -34.168 1.00 52.57 ? 481 GLU P CA 1 ATOM 3393 C C . GLU A 1 463 ? 10.172 33.981 -35.655 1.00 50.37 ? 481 GLU P C 1 ATOM 3394 O O . GLU A 1 463 ? 9.262 33.335 -36.129 1.00 48.75 ? 481 GLU P O 1 ATOM 3395 C CB . GLU A 1 463 ? 10.913 32.700 -33.750 1.00 51.86 ? 481 GLU P CB 1 ATOM 3396 C CG . GLU A 1 463 ? 11.351 32.825 -32.279 1.00 57.50 ? 481 GLU P CG 1 ATOM 3397 C CD . GLU A 1 463 ? 12.036 31.495 -32.003 1.00 66.57 ? 481 GLU P CD 1 ATOM 3398 O OE1 . GLU A 1 463 ? 13.155 31.311 -32.538 1.00 69.16 ? 481 GLU P OE1 1 ATOM 3399 O OE2 . GLU A 1 463 ? 11.332 30.770 -31.282 1.00 69.79 ? 481 GLU P OE2 1 ATOM 3400 N N . ASP A 1 464 ? 11.142 34.547 -36.347 1.00 52.94 ? 482 ASP P N 1 ATOM 3401 C CA . ASP A 1 464 ? 11.256 34.459 -37.797 1.00 39.69 ? 482 ASP P CA 1 ATOM 3402 C C . ASP A 1 464 ? 12.697 34.039 -38.144 1.00 38.53 ? 482 ASP P C 1 ATOM 3403 O O . ASP A 1 464 ? 13.604 34.868 -38.165 1.00 38.09 ? 482 ASP P O 1 ATOM 3404 C CB . ASP A 1 464 ? 11.050 35.806 -38.457 1.00 48.78 ? 482 ASP P CB 1 ATOM 3405 C CG . ASP A 1 464 ? 10.687 35.591 -39.937 1.00 52.70 ? 482 ASP P CG 1 ATOM 3406 O OD1 . ASP A 1 464 ? 11.254 34.707 -40.632 1.00 49.51 ? 482 ASP P OD1 1 ATOM 3407 O OD2 . ASP A 1 464 ? 9.782 36.334 -40.332 1.00 52.96 ? 482 ASP P OD2 1 ATOM 3408 N N . PRO A 1 465 ? 12.928 32.817 -38.582 1.00 37.69 ? 483 PRO P N 1 ATOM 3409 C CA . PRO A 1 465 ? 14.193 32.303 -39.063 1.00 45.86 ? 483 PRO P CA 1 ATOM 3410 C C . PRO A 1 465 ? 14.866 33.221 -40.063 1.00 48.41 ? 483 PRO P C 1 ATOM 3411 O O . PRO A 1 465 ? 16.045 33.604 -39.890 1.00 49.36 ? 483 PRO P O 1 ATOM 3412 C CB . PRO A 1 465 ? 13.912 30.967 -39.709 1.00 41.16 ? 483 PRO P CB 1 ATOM 3413 C CG . PRO A 1 465 ? 12.603 30.570 -39.095 1.00 45.10 ? 483 PRO P CG 1 ATOM 3414 C CD . PRO A 1 465 ? 11.829 31.803 -38.713 1.00 39.96 ? 483 PRO P CD 1 ATOM 3415 N N . ALA A 1 466 ? 14.047 33.851 -40.887 1.00 48.89 ? 484 ALA P N 1 ATOM 3416 C CA . ALA A 1 466 ? 14.521 34.864 -41.830 1.00 49.65 ? 484 ALA P CA 1 ATOM 3417 C C . ALA A 1 466 ? 15.176 36.047 -41.179 1.00 46.92 ? 484 ALA P C 1 ATOM 3418 O O . ALA A 1 466 ? 15.903 36.782 -41.848 1.00 48.24 ? 484 ALA P O 1 ATOM 3419 C CB . ALA A 1 466 ? 13.349 35.288 -42.717 1.00 45.87 ? 484 ALA P CB 1 ATOM 3420 N N . LEU A 1 467 ? 15.112 36.254 -39.861 1.00 48.33 ? 485 LEU P N 1 ATOM 3421 C CA . LEU A 1 467 ? 15.807 37.389 -39.217 1.00 36.22 ? 485 LEU P CA 1 ATOM 3422 C C . LEU A 1 467 ? 17.192 36.930 -38.865 1.00 36.92 ? 485 LEU P C 1 ATOM 3423 O O . LEU A 1 467 ? 17.994 37.783 -38.497 1.00 41.16 ? 485 LEU P O 1 ATOM 3424 C CB . LEU A 1 467 ? 14.996 37.747 -38.004 1.00 43.04 ? 485 LEU P CB 1 ATOM 3425 C CG . LEU A 1 467 ? 13.921 38.782 -38.216 1.00 48.77 ? 485 LEU P CG 1 ATOM 3426 C CD1 . LEU A 1 467 ? 13.508 38.934 -39.666 1.00 45.38 ? 485 LEU P CD1 1 ATOM 3427 C CD2 . LEU A 1 467 ? 12.731 38.583 -37.279 1.00 39.63 ? 485 LEU P CD2 1 ATOM 3428 N N . GLN A 1 468 ? 17.450 35.607 -39.040 1.00 33.09 ? 486 GLN P N 1 ATOM 3429 C CA . GLN A 1 468 ? 18.836 35.233 -38.691 1.00 34.55 ? 486 GLN P CA 1 ATOM 3430 C C . GLN A 1 468 ? 19.854 35.946 -39.548 1.00 38.91 ? 486 GLN P C 1 ATOM 3431 O O . GLN A 1 468 ? 19.778 35.761 -40.735 1.00 47.34 ? 486 GLN P O 1 ATOM 3432 C CB . GLN A 1 468 ? 19.069 33.732 -38.851 1.00 33.43 ? 486 GLN P CB 1 ATOM 3433 C CG . GLN A 1 468 ? 18.460 32.973 -37.682 1.00 46.66 ? 486 GLN P CG 1 ATOM 3434 C CD . GLN A 1 468 ? 18.710 31.489 -37.825 1.00 47.24 ? 486 GLN P CD 1 ATOM 3435 O OE1 . GLN A 1 468 ? 19.794 30.932 -37.660 1.00 44.54 ? 486 GLN P OE1 1 ATOM 3436 N NE2 . GLN A 1 468 ? 17.624 30.816 -38.141 1.00 53.42 ? 486 GLN P NE2 1 ATOM 3437 N N . ILE A 1 469 ? 20.861 36.612 -39.073 1.00 46.40 ? 487 ILE P N 1 ATOM 3438 C CA . ILE A 1 469 ? 21.964 37.142 -39.790 1.00 48.32 ? 487 ILE P CA 1 ATOM 3439 C C . ILE A 1 469 ? 22.672 36.070 -40.637 1.00 53.62 ? 487 ILE P C 1 ATOM 3440 O O . ILE A 1 469 ? 23.065 35.024 -40.155 1.00 53.38 ? 487 ILE P O 1 ATOM 3441 C CB . ILE A 1 469 ? 23.048 37.746 -38.889 1.00 46.59 ? 487 ILE P CB 1 ATOM 3442 C CG1 . ILE A 1 469 ? 22.524 39.033 -38.286 1.00 49.23 ? 487 ILE P CG1 1 ATOM 3443 C CG2 . ILE A 1 469 ? 24.375 38.001 -39.576 1.00 46.96 ? 487 ILE P CG2 1 ATOM 3444 C CD1 . ILE A 1 469 ? 23.093 39.301 -36.889 1.00 54.66 ? 487 ILE P CD1 1 ATOM 3445 N N . CYS A 1 470 ? 22.965 36.499 -41.885 1.00 54.08 ? 488 CYS P N 1 ATOM 3446 C CA . CYS A 1 470 ? 23.702 35.710 -42.859 1.00 55.22 ? 488 CYS P CA 1 ATOM 3447 C C . CYS A 1 470 ? 24.851 36.363 -43.619 1.00 50.78 ? 488 CYS P C 1 ATOM 3448 O O . CYS A 1 470 ? 24.653 37.298 -44.377 1.00 46.20 ? 488 CYS P O 1 ATOM 3449 C CB . CYS A 1 470 ? 22.671 35.182 -43.870 1.00 50.22 ? 488 CYS P CB 1 ATOM 3450 S SG . CYS A 1 470 ? 23.165 33.725 -44.705 1.00 52.06 ? 488 CYS P SG 1 ATOM 3451 N N . CYS A 1 471 ? 26.077 35.907 -43.471 1.00 48.30 ? 489 CYS P N 1 ATOM 3452 C CA . CYS A 1 471 ? 27.266 36.379 -44.107 1.00 52.12 ? 489 CYS P CA 1 ATOM 3453 C C . CYS A 1 471 ? 27.308 36.542 -45.638 1.00 56.07 ? 489 CYS P C 1 ATOM 3454 O O . CYS A 1 471 ? 27.901 37.446 -46.231 1.00 47.66 ? 489 CYS P O 1 ATOM 3455 C CB . CYS A 1 471 ? 28.534 35.459 -43.876 1.00 49.24 ? 489 CYS P CB 1 ATOM 3456 S SG . CYS A 1 471 ? 29.851 36.721 -44.073 1.00 62.61 ? 489 CYS P SG 1 ATOM 3457 N N . HIS A 1 472 ? 26.658 35.708 -46.411 1.00 47.29 ? 490 HIS P N 1 ATOM 3458 C CA . HIS A 1 472 ? 26.424 35.346 -47.712 1.00 42.90 ? 490 HIS P CA 1 ATOM 3459 C C . HIS A 1 472 ? 24.874 35.384 -47.789 1.00 41.37 ? 490 HIS P C 1 ATOM 3460 O O . HIS A 1 472 ? 24.188 34.362 -47.975 1.00 39.47 ? 490 HIS P O 1 ATOM 3461 C CB . HIS A 1 472 ? 26.779 33.947 -48.227 1.00 50.82 ? 490 HIS P CB 1 ATOM 3462 C CG . HIS A 1 472 ? 26.502 33.829 -49.719 1.00 80.83 ? 490 HIS P CG 1 ATOM 3463 N ND1 . HIS A 1 472 ? 27.053 32.822 -50.532 1.00 89.89 ? 490 HIS P ND1 1 ATOM 3464 C CD2 . HIS A 1 472 ? 25.752 34.571 -50.603 1.00 81.25 ? 490 HIS P CD2 1 ATOM 3465 C CE1 . HIS A 1 472 ? 26.661 32.929 -51.781 1.00 86.44 ? 490 HIS P CE1 1 ATOM 3466 N NE2 . HIS A 1 472 ? 25.864 33.991 -51.829 1.00 86.70 ? 490 HIS P NE2 1 ATOM 3467 N N . PRO A 1 473 ? 24.380 36.604 -47.760 1.00 34.16 ? 491 PRO P N 1 ATOM 3468 C CA . PRO A 1 473 ? 22.957 36.807 -47.914 1.00 40.28 ? 491 PRO P CA 1 ATOM 3469 C C . PRO A 1 473 ? 22.371 36.091 -49.106 1.00 51.09 ? 491 PRO P C 1 ATOM 3470 O O . PRO A 1 473 ? 22.952 35.861 -50.147 1.00 58.58 ? 491 PRO P O 1 ATOM 3471 C CB . PRO A 1 473 ? 22.790 38.298 -48.122 1.00 39.40 ? 491 PRO P CB 1 ATOM 3472 C CG . PRO A 1 473 ? 24.136 38.921 -48.135 1.00 42.77 ? 491 PRO P CG 1 ATOM 3473 C CD . PRO A 1 473 ? 25.133 37.866 -47.638 1.00 37.98 ? 491 PRO P CD 1 ATOM 3474 N N . GLY A 1 474 ? 21.129 35.643 -49.026 1.00 62.15 ? 492 GLY P N 1 ATOM 3475 C CA . GLY A 1 474 ? 20.405 34.943 -50.066 1.00 56.78 ? 492 GLY P CA 1 ATOM 3476 C C . GLY A 1 474 ? 21.004 33.580 -50.346 1.00 60.61 ? 492 GLY P C 1 ATOM 3477 O O . GLY A 1 474 ? 20.276 32.851 -51.024 1.00 62.86 ? 492 GLY P O 1 ATOM 3478 N N . CYS A 1 475 ? 22.202 33.169 -49.908 1.00 63.47 ? 493 CYS P N 1 ATOM 3479 C CA . CYS A 1 475 ? 22.694 31.828 -50.222 1.00 56.64 ? 493 CYS P CA 1 ATOM 3480 C C . CYS A 1 475 ? 21.644 30.738 -49.970 1.00 64.54 ? 493 CYS P C 1 ATOM 3481 O O . CYS A 1 475 ? 20.488 30.851 -49.502 1.00 66.06 ? 493 CYS P O 1 ATOM 3482 C CB . CYS A 1 475 ? 23.986 31.576 -49.460 1.00 53.12 ? 493 CYS P CB 1 ATOM 3483 S SG . CYS A 1 475 ? 23.859 31.469 -47.601 1.00 58.49 ? 493 CYS P SG 1 ATOM 3484 N N . THR A 1 476 ? 22.073 29.495 -50.209 1.00 64.26 ? 494 THR P N 1 ATOM 3485 C CA . THR A 1 476 ? 21.316 28.309 -49.885 1.00 68.41 ? 494 THR P CA 1 ATOM 3486 C C . THR A 1 476 ? 22.275 27.136 -49.718 1.00 70.48 ? 494 THR P C 1 ATOM 3487 O O . THR A 1 476 ? 23.206 27.387 -50.438 1.00 68.78 ? 494 THR P O 1 ATOM 3488 C CB . THR A 1 476 ? 20.185 27.791 -50.775 1.00 67.80 ? 494 THR P CB 1 ATOM 3489 O OG1 . THR A 1 476 ? 20.751 27.525 -52.057 1.00 75.51 ? 494 THR P OG1 1 ATOM 3490 C CG2 . THR A 1 476 ? 18.962 28.655 -50.921 1.00 70.57 ? 494 THR P CG2 1 ATOM 3491 N N . PRO A 1 477 ? 21.952 26.129 -48.954 1.00 68.55 ? 495 PRO P N 1 ATOM 3492 C CA . PRO A 1 477 ? 20.920 25.965 -47.984 1.00 66.88 ? 495 PRO P CA 1 ATOM 3493 C C . PRO A 1 477 ? 21.178 26.721 -46.669 1.00 69.44 ? 495 PRO P C 1 ATOM 3494 O O . PRO A 1 477 ? 22.271 26.882 -46.110 1.00 62.47 ? 495 PRO P O 1 ATOM 3495 C CB . PRO A 1 477 ? 20.767 24.479 -47.730 1.00 68.95 ? 495 PRO P CB 1 ATOM 3496 C CG . PRO A 1 477 ? 22.137 23.923 -47.967 1.00 66.36 ? 495 PRO P CG 1 ATOM 3497 C CD . PRO A 1 477 ? 22.865 25.016 -48.698 1.00 70.02 ? 495 PRO P CD 1 ATOM 3498 N N . ARG A 1 478 ? 20.114 27.386 -46.226 1.00 72.65 ? 496 ARG P N 1 ATOM 3499 C CA . ARG A 1 478 ? 20.026 28.059 -44.946 1.00 70.12 ? 496 ARG P CA 1 ATOM 3500 C C . ARG A 1 478 ? 19.873 27.045 -43.850 1.00 68.94 ? 496 ARG P C 1 ATOM 3501 O O . ARG A 1 478 ? 19.012 26.257 -44.183 1.00 70.74 ? 496 ARG P O 1 ATOM 3502 C CB . ARG A 1 478 ? 18.853 29.055 -44.985 1.00 73.06 ? 496 ARG P CB 1 ATOM 3503 C CG . ARG A 1 478 ? 19.390 30.479 -45.100 1.00 74.93 ? 496 ARG P CG 1 ATOM 3504 C CD . ARG A 1 478 ? 18.320 31.535 -45.128 1.00 81.51 ? 496 ARG P CD 1 ATOM 3505 N NE . ARG A 1 478 ? 17.893 32.100 -43.887 1.00 90.33 ? 496 ARG P NE 1 ATOM 3506 C CZ . ARG A 1 478 ? 18.225 33.065 -43.059 1.00 91.37 ? 496 ARG P CZ 1 ATOM 3507 N NH1 . ARG A 1 478 ? 19.187 33.962 -43.185 1.00 89.21 ? 496 ARG P NH1 1 ATOM 3508 N NH2 . ARG A 1 478 ? 17.469 33.170 -41.959 1.00 92.60 ? 496 ARG P NH2 1 ATOM 3509 N N . PRO A 1 479 ? 20.601 26.992 -42.773 1.00 63.56 ? 497 PRO P N 1 ATOM 3510 C CA . PRO A 1 479 ? 21.475 27.947 -42.202 1.00 57.49 ? 497 PRO P CA 1 ATOM 3511 C C . PRO A 1 479 ? 22.945 27.695 -42.402 1.00 48.45 ? 497 PRO P C 1 ATOM 3512 O O . PRO A 1 479 ? 23.751 28.604 -42.194 1.00 51.87 ? 497 PRO P O 1 ATOM 3513 C CB . PRO A 1 479 ? 21.156 28.001 -40.685 1.00 59.86 ? 497 PRO P CB 1 ATOM 3514 C CG . PRO A 1 479 ? 20.369 26.767 -40.396 1.00 56.17 ? 497 PRO P CG 1 ATOM 3515 C CD . PRO A 1 479 ? 20.434 26.016 -41.680 1.00 60.36 ? 497 PRO P CD 1 ATOM 3516 N N . ALA A 1 480 ? 23.318 26.525 -42.830 1.00 47.33 ? 498 ALA P N 1 ATOM 3517 C CA . ALA A 1 480 ? 24.736 26.211 -43.018 1.00 56.91 ? 498 ALA P CA 1 ATOM 3518 C C . ALA A 1 480 ? 25.529 27.007 -44.042 1.00 57.63 ? 498 ALA P C 1 ATOM 3519 O O . ALA A 1 480 ? 26.747 27.233 -43.949 1.00 57.51 ? 498 ALA P O 1 ATOM 3520 C CB . ALA A 1 480 ? 24.787 24.746 -43.457 1.00 64.82 ? 498 ALA P CB 1 ATOM 3521 N N . CYS A 1 481 ? 24.805 27.529 -45.047 1.00 56.62 ? 499 CYS P N 1 ATOM 3522 C CA . CYS A 1 481 ? 25.493 28.378 -46.038 1.00 50.34 ? 499 CYS P CA 1 ATOM 3523 C C . CYS A 1 481 ? 25.815 29.684 -45.326 1.00 54.19 ? 499 CYS P C 1 ATOM 3524 O O . CYS A 1 481 ? 26.794 30.291 -45.772 1.00 54.56 ? 499 CYS P O 1 ATOM 3525 C CB . CYS A 1 481 ? 24.703 28.542 -47.283 1.00 34.50 ? 499 CYS P CB 1 ATOM 3526 S SG . CYS A 1 481 ? 23.274 29.575 -47.233 1.00 47.16 ? 499 CYS P SG 1 ATOM 3527 N N . CYS A 1 482 ? 25.075 30.112 -44.270 1.00 48.63 ? 500 CYS P N 1 ATOM 3528 C CA . CYS A 1 482 ? 25.630 31.353 -43.687 1.00 50.32 ? 500 CYS P CA 1 ATOM 3529 C C . CYS A 1 482 ? 26.939 31.017 -43.001 1.00 56.09 ? 500 CYS P C 1 ATOM 3530 O O . CYS A 1 482 ? 27.109 30.048 -42.275 1.00 62.96 ? 500 CYS P O 1 ATOM 3531 C CB . CYS A 1 482 ? 24.626 31.992 -42.811 1.00 44.14 ? 500 CYS P CB 1 ATOM 3532 S SG . CYS A 1 482 ? 23.066 31.999 -43.701 1.00 50.61 ? 500 CYS P SG 1 ATOM 3533 N N . HIS A 1 483 ? 27.975 31.673 -43.446 1.00 63.49 ? 501 HIS P N 1 ATOM 3534 C CA . HIS A 1 483 ? 29.311 31.517 -42.939 1.00 69.24 ? 501 HIS P CA 1 ATOM 3535 C C . HIS A 1 483 ? 30.341 32.156 -43.849 1.00 71.27 ? 501 HIS P C 1 ATOM 3536 O O . HIS A 1 483 ? 30.074 32.671 -44.928 1.00 74.33 ? 501 HIS P O 1 ATOM 3537 C CB . HIS A 1 483 ? 29.715 30.172 -42.491 1.00 79.84 ? 501 HIS P CB 1 ATOM 3538 C CG . HIS A 1 483 ? 30.183 29.158 -43.445 1.00 90.23 ? 501 HIS P CG 1 ATOM 3539 N ND1 . HIS A 1 483 ? 31.288 28.374 -43.145 1.00 93.93 ? 501 HIS P ND1 1 ATOM 3540 C CD2 . HIS A 1 483 ? 29.652 28.755 -44.622 1.00 95.21 ? 501 HIS P CD2 1 ATOM 3541 C CE1 . HIS A 1 483 ? 31.434 27.535 -44.158 1.00 101.28 ? 501 HIS P CE1 1 ATOM 3542 N NE2 . HIS A 1 483 ? 30.473 27.741 -45.068 1.00 101.90 ? 501 HIS P NE2 1 ATOM 3543 N N . CYS A 1 484 ? 31.483 32.362 -43.219 1.00 61.51 ? 502 CYS P N 1 ATOM 3544 C CA . CYS A 1 484 ? 32.470 33.211 -43.844 1.00 60.11 ? 502 CYS P CA 1 ATOM 3545 C C . CYS A 1 484 ? 33.293 33.541 -42.621 1.00 54.98 ? 502 CYS P C 1 ATOM 3546 O O . CYS A 1 484 ? 33.187 34.513 -42.027 1.00 56.05 ? 502 CYS P O 1 ATOM 3547 C CB . CYS A 1 484 ? 31.739 34.432 -44.376 1.00 59.83 ? 502 CYS P CB 1 ATOM 3548 S SG . CYS A 1 484 ? 31.591 35.935 -43.421 1.00 67.64 ? 502 CYS P SG 1 ATOM 3549 N N . PRO A 1 485 ? 34.160 32.477 -42.374 1.00 59.60 ? 503 PRO P N 1 ATOM 3550 C CA . PRO A 1 485 ? 35.016 32.604 -41.184 1.00 64.76 ? 503 PRO P CA 1 ATOM 3551 C C . PRO A 1 485 ? 36.204 33.552 -41.213 1.00 67.20 ? 503 PRO P C 1 ATOM 3552 O O . PRO A 1 485 ? 36.462 34.128 -42.270 1.00 65.25 ? 503 PRO P O 1 ATOM 3553 C CB . PRO A 1 485 ? 35.586 31.176 -41.035 1.00 66.61 ? 503 PRO P CB 1 ATOM 3554 C CG . PRO A 1 485 ? 35.902 30.946 -42.518 1.00 63.29 ? 503 PRO P CG 1 ATOM 3555 C CD . PRO A 1 485 ? 34.500 31.084 -43.001 1.00 57.92 ? 503 PRO P CD 1 HETATM 3556 C C1 . NAG B 2 . ? 31.694 51.360 -37.811 1.00 54.49 ? 601 NAG P C1 1 HETATM 3557 C C2 . NAG B 2 . ? 33.030 51.017 -37.234 1.00 56.63 ? 601 NAG P C2 1 HETATM 3558 C C3 . NAG B 2 . ? 33.919 52.228 -36.976 1.00 60.43 ? 601 NAG P C3 1 HETATM 3559 C C4 . NAG B 2 . ? 33.341 53.534 -37.451 1.00 64.72 ? 601 NAG P C4 1 HETATM 3560 C C5 . NAG B 2 . ? 31.916 53.555 -36.787 1.00 60.35 ? 601 NAG P C5 1 HETATM 3561 C C6 . NAG B 2 . ? 31.399 54.962 -36.985 1.00 60.56 ? 601 NAG P C6 1 HETATM 3562 C C7 . NAG B 2 . ? 33.950 49.779 -35.295 1.00 61.47 ? 601 NAG P C7 1 HETATM 3563 C C8 . NAG B 2 . ? 35.131 50.311 -34.549 1.00 61.72 ? 601 NAG P C8 1 HETATM 3564 N N2 . NAG B 2 . ? 32.886 50.458 -35.811 1.00 60.95 ? 601 NAG P N2 1 HETATM 3565 O O3 . NAG B 2 . ? 35.229 52.051 -37.404 1.00 57.51 ? 601 NAG P O3 1 HETATM 3566 O O4 . NAG B 2 . ? 33.747 54.758 -37.053 1.00 80.73 ? 601 NAG P O4 1 HETATM 3567 O O5 . NAG B 2 . ? 31.111 52.598 -37.356 1.00 54.77 ? 601 NAG P O5 1 HETATM 3568 O O6 . NAG B 2 . ? 31.208 55.374 -38.262 1.00 72.22 ? 601 NAG P O6 1 HETATM 3569 O O7 . NAG B 2 . ? 33.884 48.663 -35.567 1.00 65.33 ? 601 NAG P O7 1 HETATM 3570 C C1 . NAG C 2 . ? 34.995 55.253 -36.606 1.00 87.73 ? 602 NAG P C1 1 HETATM 3571 C C2 . NAG C 2 . ? 34.869 56.800 -36.608 1.00 91.95 ? 602 NAG P C2 1 HETATM 3572 C C3 . NAG C 2 . ? 35.166 57.474 -37.914 1.00 94.66 ? 602 NAG P C3 1 HETATM 3573 C C4 . NAG C 2 . ? 36.592 57.141 -38.375 1.00 97.86 ? 602 NAG P C4 1 HETATM 3574 C C5 . NAG C 2 . ? 37.099 55.781 -37.858 1.00 101.47 ? 602 NAG P C5 1 HETATM 3575 C C6 . NAG C 2 . ? 38.066 55.992 -36.695 1.00 107.48 ? 602 NAG P C6 1 HETATM 3576 C C7 . NAG C 2 . ? 33.244 57.700 -34.979 1.00 88.50 ? 602 NAG P C7 1 HETATM 3577 C C8 . NAG C 2 . ? 31.900 58.323 -34.851 1.00 87.36 ? 602 NAG P C8 1 HETATM 3578 N N2 . NAG C 2 . ? 33.476 57.163 -36.210 1.00 90.11 ? 602 NAG P N2 1 HETATM 3579 O O3 . NAG C 2 . ? 35.079 58.874 -37.593 1.00 94.50 ? 602 NAG P O3 1 HETATM 3580 O O4 . NAG C 2 . ? 36.641 57.045 -39.816 1.00 101.88 ? 602 NAG P O4 1 HETATM 3581 O O5 . NAG C 2 . ? 36.066 54.903 -37.471 1.00 95.42 ? 602 NAG P O5 1 HETATM 3582 O O6 . NAG C 2 . ? 38.050 54.941 -35.767 1.00 111.79 ? 602 NAG P O6 1 HETATM 3583 O O7 . NAG C 2 . ? 34.041 57.671 -34.154 1.00 86.80 ? 602 NAG P O7 1 HETATM 3584 MG MG . MG D 3 . ? 23.972 36.124 -18.430 1.00 24.01 ? 603 MG P MG 1 HETATM 3585 O O . HOH E 4 . ? 28.349 40.605 -20.875 1.00 23.71 ? 2001 HOH P O 1 HETATM 3586 O O . HOH E 4 . ? 26.545 29.993 -18.894 1.00 21.24 ? 2002 HOH P O 1 HETATM 3587 O O . HOH E 4 . ? 32.855 37.297 -7.601 1.00 29.37 ? 2003 HOH P O 1 HETATM 3588 O O . HOH E 4 . ? 33.577 32.431 -2.587 1.00 52.03 ? 2004 HOH P O 1 HETATM 3589 O O . HOH E 4 . ? 43.650 34.534 -5.237 1.00 37.71 ? 2005 HOH P O 1 HETATM 3590 O O . HOH E 4 . ? 46.292 34.440 -5.744 1.00 61.43 ? 2006 HOH P O 1 HETATM 3591 O O . HOH E 4 . ? 40.610 34.256 -2.364 1.00 25.33 ? 2007 HOH P O 1 HETATM 3592 O O . HOH E 4 . ? 31.900 35.625 -0.997 1.00 27.31 ? 2008 HOH P O 1 HETATM 3593 O O . HOH E 4 . ? 40.563 43.512 -1.336 1.00 58.39 ? 2009 HOH P O 1 HETATM 3594 O O . HOH E 4 . ? 39.984 31.912 -0.165 1.00 32.66 ? 2010 HOH P O 1 HETATM 3595 O O . HOH E 4 . ? 33.890 26.852 -7.244 1.00 25.71 ? 2011 HOH P O 1 HETATM 3596 O O . HOH E 4 . ? 44.477 28.285 -8.506 1.00 46.34 ? 2012 HOH P O 1 HETATM 3597 O O . HOH E 4 . ? 42.127 32.114 -5.438 1.00 34.12 ? 2013 HOH P O 1 HETATM 3598 O O . HOH E 4 . ? 45.231 31.960 -7.926 1.00 40.86 ? 2014 HOH P O 1 HETATM 3599 O O . HOH E 4 . ? 40.659 32.483 -12.967 1.00 28.98 ? 2015 HOH P O 1 HETATM 3600 O O . HOH E 4 . ? 43.040 36.049 -7.514 1.00 29.35 ? 2016 HOH P O 1 HETATM 3601 O O . HOH E 4 . ? 42.361 42.410 -3.314 1.00 53.83 ? 2017 HOH P O 1 HETATM 3602 O O . HOH E 4 . ? 42.827 36.336 -4.297 1.00 41.21 ? 2018 HOH P O 1 HETATM 3603 O O . HOH E 4 . ? 38.138 47.354 -1.538 1.00 41.53 ? 2019 HOH P O 1 HETATM 3604 O O . HOH E 4 . ? 38.109 44.705 -0.851 1.00 31.50 ? 2020 HOH P O 1 HETATM 3605 O O . HOH E 4 . ? 38.102 43.677 1.436 1.00 49.27 ? 2021 HOH P O 1 HETATM 3606 O O . HOH E 4 . ? 26.132 43.146 3.824 1.00 35.54 ? 2022 HOH P O 1 HETATM 3607 O O . HOH E 4 . ? 27.606 42.712 -4.059 1.00 19.65 ? 2023 HOH P O 1 HETATM 3608 O O . HOH E 4 . ? 21.671 33.559 -21.202 1.00 30.22 ? 2024 HOH P O 1 HETATM 3609 O O . HOH E 4 . ? 21.164 51.833 -15.024 1.00 29.88 ? 2025 HOH P O 1 HETATM 3610 O O . HOH E 4 . ? 17.235 53.812 -13.162 1.00 39.97 ? 2026 HOH P O 1 HETATM 3611 O O . HOH E 4 . ? 11.838 39.675 -16.637 1.00 63.55 ? 2027 HOH P O 1 HETATM 3612 O O . HOH E 4 . ? 17.744 38.657 -30.849 1.00 37.69 ? 2028 HOH P O 1 HETATM 3613 O O . HOH E 4 . ? 19.462 37.476 -35.737 1.00 45.19 ? 2029 HOH P O 1 HETATM 3614 O O . HOH E 4 . ? 16.186 31.742 -33.065 1.00 36.67 ? 2030 HOH P O 1 HETATM 3615 O O . HOH E 4 . ? 11.230 35.212 -29.225 1.00 45.77 ? 2031 HOH P O 1 HETATM 3616 O O . HOH E 4 . ? 15.782 40.355 -32.062 1.00 33.68 ? 2032 HOH P O 1 HETATM 3617 O O . HOH E 4 . ? 17.305 48.095 -29.339 1.00 51.25 ? 2033 HOH P O 1 HETATM 3618 O O . HOH E 4 . ? 14.105 54.897 -21.273 1.00 49.01 ? 2034 HOH P O 1 HETATM 3619 O O . HOH E 4 . ? 36.284 37.930 -25.230 1.00 49.30 ? 2035 HOH P O 1 HETATM 3620 O O . HOH E 4 . ? 16.081 55.454 -19.889 1.00 32.33 ? 2036 HOH P O 1 HETATM 3621 O O . HOH E 4 . ? 16.889 54.548 -27.979 1.00 16.08 ? 2037 HOH P O 1 HETATM 3622 O O . HOH E 4 . ? 16.213 56.267 -28.002 1.00 53.80 ? 2038 HOH P O 1 HETATM 3623 O O . HOH E 4 . ? 24.124 42.706 -24.387 1.00 54.69 ? 2039 HOH P O 1 HETATM 3624 O O . HOH E 4 . ? 19.677 39.988 -29.374 1.00 27.41 ? 2040 HOH P O 1 HETATM 3625 O O . HOH E 4 . ? 16.559 39.098 -34.656 1.00 61.52 ? 2041 HOH P O 1 HETATM 3626 O O . HOH E 4 . ? 17.565 40.669 -38.879 1.00 58.90 ? 2042 HOH P O 1 HETATM 3627 O O . HOH E 4 . ? 23.430 32.244 -34.283 1.00 29.85 ? 2043 HOH P O 1 HETATM 3628 O O . HOH E 4 . ? 21.492 32.158 -23.905 1.00 48.90 ? 2044 HOH P O 1 HETATM 3629 O O . HOH E 4 . ? 28.009 35.264 -24.551 1.00 31.51 ? 2045 HOH P O 1 HETATM 3630 O O . HOH E 4 . ? 28.000 28.797 -30.792 1.00 31.21 ? 2046 HOH P O 1 HETATM 3631 O O . HOH E 4 . ? 30.135 23.976 -35.104 1.00 43.07 ? 2047 HOH P O 1 HETATM 3632 O O . HOH E 4 . ? 37.245 21.890 -33.329 1.00 70.14 ? 2048 HOH P O 1 HETATM 3633 O O . HOH E 4 . ? 36.945 27.856 -34.155 1.00 43.27 ? 2049 HOH P O 1 HETATM 3634 O O . HOH E 4 . ? 35.874 23.172 -24.121 1.00 51.81 ? 2050 HOH P O 1 HETATM 3635 O O . HOH E 4 . ? 29.915 22.688 -20.298 1.00 50.42 ? 2051 HOH P O 1 HETATM 3636 O O . HOH E 4 . ? 32.548 24.784 -21.109 1.00 8.78 ? 2052 HOH P O 1 HETATM 3637 O O . HOH E 4 . ? 23.380 26.263 -25.851 1.00 35.63 ? 2053 HOH P O 1 HETATM 3638 O O . HOH E 4 . ? 20.320 29.152 -25.067 1.00 72.42 ? 2054 HOH P O 1 HETATM 3639 O O . HOH E 4 . ? 17.917 25.571 -31.233 1.00 66.75 ? 2055 HOH P O 1 HETATM 3640 O O . HOH E 4 . ? 28.252 29.358 -33.679 1.00 37.28 ? 2056 HOH P O 1 HETATM 3641 O O . HOH E 4 . ? 27.364 41.759 -43.928 1.00 57.81 ? 2057 HOH P O 1 HETATM 3642 O O . HOH E 4 . ? 36.418 31.076 -37.771 1.00 79.68 ? 2058 HOH P O 1 HETATM 3643 O O . HOH E 4 . ? 35.457 29.529 -35.160 1.00 47.89 ? 2059 HOH P O 1 HETATM 3644 O O . HOH E 4 . ? 38.337 36.053 -33.425 1.00 63.50 ? 2060 HOH P O 1 HETATM 3645 O O . HOH E 4 . ? 36.304 29.371 -32.486 1.00 42.31 ? 2061 HOH P O 1 HETATM 3646 O O . HOH E 4 . ? 39.443 35.075 -26.836 1.00 43.62 ? 2062 HOH P O 1 HETATM 3647 O O . HOH E 4 . ? 42.468 36.763 -27.656 1.00 44.97 ? 2063 HOH P O 1 HETATM 3648 O O . HOH E 4 . ? 44.124 36.202 -25.279 1.00 41.52 ? 2064 HOH P O 1 HETATM 3649 O O . HOH E 4 . ? 40.031 44.063 -34.032 1.00 55.90 ? 2065 HOH P O 1 HETATM 3650 O O . HOH E 4 . ? 37.285 51.513 -31.208 1.00 52.70 ? 2066 HOH P O 1 HETATM 3651 O O . HOH E 4 . ? 38.686 61.505 -23.814 1.00 50.95 ? 2067 HOH P O 1 HETATM 3652 O O . HOH E 4 . ? 35.589 39.209 -23.426 1.00 28.39 ? 2068 HOH P O 1 HETATM 3653 O O . HOH E 4 . ? 38.304 39.814 -23.540 1.00 72.39 ? 2069 HOH P O 1 HETATM 3654 O O . HOH E 4 . ? 34.382 38.049 -24.330 1.00 29.17 ? 2070 HOH P O 1 HETATM 3655 O O . HOH E 4 . ? 28.557 29.457 -17.189 1.00 21.64 ? 2071 HOH P O 1 HETATM 3656 O O . HOH E 4 . ? 33.124 32.287 -21.347 1.00 31.21 ? 2072 HOH P O 1 HETATM 3657 O O . HOH E 4 . ? 34.252 24.861 -23.730 1.00 27.42 ? 2073 HOH P O 1 HETATM 3658 O O . HOH E 4 . ? 45.176 32.689 -28.766 1.00 86.16 ? 2074 HOH P O 1 HETATM 3659 O O . HOH E 4 . ? 44.658 25.672 -7.891 1.00 45.90 ? 2075 HOH P O 1 HETATM 3660 O O . HOH E 4 . ? 36.469 24.684 -14.707 1.00 30.58 ? 2076 HOH P O 1 HETATM 3661 O O . HOH E 4 . ? 41.974 23.821 -18.070 1.00 63.50 ? 2077 HOH P O 1 HETATM 3662 O O . HOH E 4 . ? 40.947 25.329 -21.144 1.00 68.86 ? 2078 HOH P O 1 HETATM 3663 O O . HOH E 4 . ? 44.416 37.667 -15.446 1.00 53.95 ? 2079 HOH P O 1 HETATM 3664 O O . HOH E 4 . ? 41.057 54.730 -13.897 1.00 46.87 ? 2080 HOH P O 1 HETATM 3665 O O . HOH E 4 . ? 28.291 30.437 -14.507 1.00 28.32 ? 2081 HOH P O 1 HETATM 3666 O O . HOH E 4 . ? 22.722 26.586 -7.493 1.00 35.92 ? 2082 HOH P O 1 HETATM 3667 O O . HOH E 4 . ? 29.339 21.019 -18.042 1.00 39.49 ? 2083 HOH P O 1 HETATM 3668 O O . HOH E 4 . ? 27.121 22.139 -20.748 1.00 43.50 ? 2084 HOH P O 1 HETATM 3669 O O . HOH E 4 . ? 22.948 24.328 -23.806 1.00 63.89 ? 2085 HOH P O 1 HETATM 3670 O O . HOH E 4 . ? 28.745 25.773 -11.222 1.00 31.51 ? 2086 HOH P O 1 HETATM 3671 O O . HOH E 4 . ? 35.070 18.426 -11.073 1.00 40.70 ? 2087 HOH P O 1 HETATM 3672 O O . HOH E 4 . ? 31.656 18.979 -13.643 1.00 49.54 ? 2088 HOH P O 1 HETATM 3673 O O . HOH E 4 . ? 37.401 21.660 -22.455 1.00 62.37 ? 2089 HOH P O 1 HETATM 3674 O O . HOH E 4 . ? 30.385 26.070 -19.305 1.00 44.30 ? 2090 HOH P O 1 HETATM 3675 O O . HOH E 4 . ? 31.883 26.427 -9.753 1.00 28.16 ? 2091 HOH P O 1 HETATM 3676 O O . HOH E 4 . ? 29.620 25.949 -7.233 1.00 43.89 ? 2092 HOH P O 1 HETATM 3677 O O . HOH E 4 . ? 24.849 27.935 -5.886 1.00 31.45 ? 2093 HOH P O 1 HETATM 3678 O O . HOH E 4 . ? 27.577 28.089 -6.427 1.00 29.88 ? 2094 HOH P O 1 HETATM 3679 O O . HOH E 4 . ? 28.370 28.040 -3.717 1.00 37.21 ? 2095 HOH P O 1 HETATM 3680 O O . HOH E 4 . ? 25.910 30.161 3.444 1.00 44.83 ? 2096 HOH P O 1 HETATM 3681 O O . HOH E 4 . ? 31.219 33.191 0.091 1.00 23.69 ? 2097 HOH P O 1 HETATM 3682 O O . HOH E 4 . ? 12.918 32.026 -5.225 1.00 29.27 ? 2098 HOH P O 1 HETATM 3683 O O . HOH E 4 . ? 11.822 34.539 -4.520 1.00 26.36 ? 2099 HOH P O 1 HETATM 3684 O O . HOH E 4 . ? 12.920 27.296 -4.531 1.00 26.47 ? 2100 HOH P O 1 HETATM 3685 O O . HOH E 4 . ? 25.783 35.280 -7.560 1.00 17.34 ? 2101 HOH P O 1 HETATM 3686 O O . HOH E 4 . ? 24.239 40.747 3.259 1.00 28.28 ? 2102 HOH P O 1 HETATM 3687 O O . HOH E 4 . ? 39.501 54.271 -6.729 1.00 39.35 ? 2103 HOH P O 1 HETATM 3688 O O . HOH E 4 . ? 35.388 57.351 -1.835 1.00 57.66 ? 2104 HOH P O 1 HETATM 3689 O O . HOH E 4 . ? 34.925 54.965 -0.537 1.00 52.74 ? 2105 HOH P O 1 HETATM 3690 O O . HOH E 4 . ? 36.568 49.639 3.957 1.00 59.79 ? 2106 HOH P O 1 HETATM 3691 O O . HOH E 4 . ? 23.207 46.646 4.135 1.00 78.85 ? 2107 HOH P O 1 HETATM 3692 O O . HOH E 4 . ? 29.262 50.102 4.473 1.00 42.86 ? 2108 HOH P O 1 HETATM 3693 O O . HOH E 4 . ? 22.506 53.781 2.875 1.00 63.22 ? 2109 HOH P O 1 HETATM 3694 O O . HOH E 4 . ? 29.280 52.361 3.145 1.00 57.70 ? 2110 HOH P O 1 HETATM 3695 O O . HOH E 4 . ? 27.177 47.190 -1.180 1.00 30.82 ? 2111 HOH P O 1 HETATM 3696 O O . HOH E 4 . ? 17.711 45.509 -8.454 1.00 41.96 ? 2112 HOH P O 1 HETATM 3697 O O . HOH E 4 . ? 21.275 44.320 -14.582 1.00 42.92 ? 2113 HOH P O 1 HETATM 3698 O O . HOH E 4 . ? 20.847 61.668 -11.771 1.00 57.72 ? 2114 HOH P O 1 HETATM 3699 O O . HOH E 4 . ? 11.763 58.723 -12.308 1.00 75.45 ? 2115 HOH P O 1 HETATM 3700 O O . HOH E 4 . ? 21.871 62.742 -8.747 1.00 63.64 ? 2116 HOH P O 1 HETATM 3701 O O . HOH E 4 . ? 13.828 49.707 -7.577 1.00 50.57 ? 2117 HOH P O 1 HETATM 3702 O O . HOH E 4 . ? 21.441 51.464 1.577 1.00 41.24 ? 2118 HOH P O 1 HETATM 3703 O O . HOH E 4 . ? 14.719 47.734 -7.468 1.00 30.34 ? 2119 HOH P O 1 HETATM 3704 O O . HOH E 4 . ? 14.616 52.766 -1.881 1.00 46.31 ? 2120 HOH P O 1 HETATM 3705 O O . HOH E 4 . ? 11.826 51.974 -0.111 1.00 55.89 ? 2121 HOH P O 1 HETATM 3706 O O . HOH E 4 . ? 13.583 51.348 -4.536 1.00 52.69 ? 2122 HOH P O 1 HETATM 3707 O O . HOH E 4 . ? 15.609 45.745 -7.936 1.00 41.66 ? 2123 HOH P O 1 HETATM 3708 O O . HOH E 4 . ? 4.559 43.680 -10.422 1.00 22.04 ? 2124 HOH P O 1 HETATM 3709 O O . HOH E 4 . ? 15.058 36.584 -11.428 1.00 35.77 ? 2125 HOH P O 1 HETATM 3710 O O . HOH E 4 . ? 13.424 33.789 -11.870 1.00 47.69 ? 2126 HOH P O 1 HETATM 3711 O O . HOH E 4 . ? 12.717 37.445 -18.501 1.00 55.94 ? 2127 HOH P O 1 HETATM 3712 O O . HOH E 4 . ? 10.989 32.485 -13.880 1.00 61.21 ? 2128 HOH P O 1 HETATM 3713 O O . HOH E 4 . ? 5.538 37.408 -11.665 1.00 34.74 ? 2129 HOH P O 1 HETATM 3714 O O . HOH E 4 . ? 4.817 34.556 -12.182 1.00 42.03 ? 2130 HOH P O 1 HETATM 3715 O O . HOH E 4 . ? -1.038 37.217 -6.463 1.00 59.76 ? 2131 HOH P O 1 HETATM 3716 O O . HOH E 4 . ? 20.521 41.975 12.849 1.00 66.90 ? 2132 HOH P O 1 HETATM 3717 O O . HOH E 4 . ? 13.171 31.916 -8.242 1.00 42.89 ? 2133 HOH P O 1 HETATM 3718 O O . HOH E 4 . ? 14.040 25.846 -15.257 1.00 50.44 ? 2134 HOH P O 1 HETATM 3719 O O . HOH E 4 . ? 15.218 30.556 -18.882 1.00 61.83 ? 2135 HOH P O 1 HETATM 3720 O O . HOH E 4 . ? 19.392 19.746 -10.282 1.00 36.81 ? 2136 HOH P O 1 HETATM 3721 O O . HOH E 4 . ? 19.141 21.498 -15.359 1.00 54.45 ? 2137 HOH P O 1 HETATM 3722 O O . HOH E 4 . ? 15.579 19.245 -11.197 1.00 42.27 ? 2138 HOH P O 1 HETATM 3723 O O . HOH E 4 . ? 23.266 25.968 -4.546 1.00 61.30 ? 2139 HOH P O 1 HETATM 3724 O O . HOH E 4 . ? 21.186 22.718 -7.417 1.00 34.59 ? 2140 HOH P O 1 HETATM 3725 O O . HOH E 4 . ? 22.226 26.701 -2.720 1.00 32.86 ? 2141 HOH P O 1 HETATM 3726 O O . HOH E 4 . ? 11.078 25.080 -11.502 1.00 59.84 ? 2142 HOH P O 1 HETATM 3727 O O . HOH E 4 . ? 9.902 26.661 -4.951 1.00 53.48 ? 2143 HOH P O 1 HETATM 3728 O O . HOH E 4 . ? 0.883 29.662 0.930 1.00 52.27 ? 2144 HOH P O 1 HETATM 3729 O O . HOH E 4 . ? 1.543 27.816 -3.765 1.00 57.08 ? 2145 HOH P O 1 HETATM 3730 O O . HOH E 4 . ? 5.502 29.028 3.019 1.00 37.67 ? 2146 HOH P O 1 HETATM 3731 O O . HOH E 4 . ? -0.822 38.318 5.077 1.00 47.45 ? 2147 HOH P O 1 HETATM 3732 O O . HOH E 4 . ? 2.495 30.307 2.769 1.00 58.09 ? 2148 HOH P O 1 HETATM 3733 O O . HOH E 4 . ? 4.516 30.918 4.697 1.00 42.89 ? 2149 HOH P O 1 HETATM 3734 O O . HOH E 4 . ? 6.724 32.366 6.691 1.00 43.31 ? 2150 HOH P O 1 HETATM 3735 O O . HOH E 4 . ? 14.475 28.723 4.503 1.00 44.13 ? 2151 HOH P O 1 HETATM 3736 O O . HOH E 4 . ? 16.674 39.672 12.909 1.00 52.96 ? 2152 HOH P O 1 HETATM 3737 O O . HOH E 4 . ? 23.726 32.378 9.360 1.00 46.57 ? 2153 HOH P O 1 HETATM 3738 O O . HOH E 4 . ? 25.637 34.824 11.190 1.00 24.91 ? 2154 HOH P O 1 HETATM 3739 O O . HOH E 4 . ? 22.634 31.573 6.997 1.00 43.30 ? 2155 HOH P O 1 HETATM 3740 O O . HOH E 4 . ? 17.306 34.774 8.623 1.00 28.56 ? 2156 HOH P O 1 HETATM 3741 O O . HOH E 4 . ? 24.968 32.163 5.812 1.00 31.40 ? 2157 HOH P O 1 HETATM 3742 O O . HOH E 4 . ? 21.335 33.076 -0.284 1.00 21.57 ? 2158 HOH P O 1 HETATM 3743 O O . HOH E 4 . ? 24.219 28.100 9.171 1.00 39.88 ? 2159 HOH P O 1 HETATM 3744 O O . HOH E 4 . ? 13.837 28.191 7.789 1.00 53.98 ? 2160 HOH P O 1 HETATM 3745 O O . HOH E 4 . ? 0.212 41.273 3.692 1.00 55.17 ? 2161 HOH P O 1 HETATM 3746 O O . HOH E 4 . ? -0.041 43.066 4.583 1.00 66.26 ? 2162 HOH P O 1 HETATM 3747 O O . HOH E 4 . ? 1.514 42.360 -0.501 1.00 43.08 ? 2163 HOH P O 1 HETATM 3748 O O . HOH E 4 . ? -1.226 45.629 -5.403 1.00 33.01 ? 2164 HOH P O 1 HETATM 3749 O O . HOH E 4 . ? 2.243 44.547 -11.477 1.00 50.48 ? 2165 HOH P O 1 HETATM 3750 O O . HOH E 4 . ? 0.376 41.078 -7.927 1.00 55.54 ? 2166 HOH P O 1 HETATM 3751 O O . HOH E 4 . ? 5.315 53.058 -12.018 1.00 61.72 ? 2167 HOH P O 1 HETATM 3752 O O . HOH E 4 . ? 10.230 38.004 -30.581 1.00 48.19 ? 2168 HOH P O 1 HETATM 3753 O O . HOH E 4 . ? 21.552 35.916 -36.475 1.00 35.09 ? 2169 HOH P O 1 HETATM 3754 O O . HOH E 4 . ? 21.416 24.376 -44.019 1.00 63.43 ? 2170 HOH P O 1 # loop_ _database_PDB_caveat.id _database_PDB_caveat.text 1 'NAG P 601 HAS WRONG CHIRALITY AT ATOM C1' 2 'NAG P 602 HAS WRONG CHIRALITY AT ATOM C1' # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ARG 1 19 19 ARG ARG P . n A 1 2 PRO 2 20 20 PRO PRO P . n A 1 3 PRO 3 21 21 PRO PRO P . n A 1 4 ASN 4 22 22 ASN ASN P . n A 1 5 ILE 5 23 23 ILE ILE P . n A 1 6 VAL 6 24 24 VAL VAL P . n A 1 7 LEU 7 25 25 LEU LEU P . n A 1 8 ILE 8 26 26 ILE ILE P . n A 1 9 PHE 9 27 27 PHE PHE P . n A 1 10 ALA 10 28 28 ALA ALA P . n A 1 11 ASP 11 29 29 ASP ASP P . n A 1 12 ASP 12 30 30 ASP ASP P . n A 1 13 LEU 13 31 31 LEU LEU P . n A 1 14 GLY 14 32 32 GLY GLY P . n A 1 15 TYR 15 33 33 TYR TYR P . n A 1 16 GLY 16 34 34 GLY GLY P . n A 1 17 ASP 17 35 35 ASP ASP P . n A 1 18 LEU 18 36 36 LEU LEU P . n A 1 19 GLY 19 37 37 GLY GLY P . n A 1 20 CYS 20 38 38 CYS CYS P . n A 1 21 TYR 21 39 39 TYR TYR P . n A 1 22 GLY 22 40 40 GLY GLY P . n A 1 23 HIS 23 41 41 HIS HIS P . n A 1 24 PRO 24 42 42 PRO PRO P . n A 1 25 SER 25 43 43 SER SER P . n A 1 26 SER 26 44 44 SER SER P . n A 1 27 THR 27 45 45 THR THR P . n A 1 28 THR 28 46 46 THR THR P . n A 1 29 PRO 29 47 47 PRO PRO P . n A 1 30 ASN 30 48 48 ASN ASN P . n A 1 31 LEU 31 49 49 LEU LEU P . n A 1 32 ASP 32 50 50 ASP ASP P . n A 1 33 GLN 33 51 51 GLN GLN P . n A 1 34 LEU 34 52 52 LEU LEU P . n A 1 35 ALA 35 53 53 ALA ALA P . n A 1 36 ALA 36 54 54 ALA ALA P . n A 1 37 GLY 37 55 55 GLY GLY P . n A 1 38 GLY 38 56 56 GLY GLY P . n A 1 39 LEU 39 57 57 LEU LEU P . n A 1 40 ARG 40 58 58 ARG ARG P . n A 1 41 PHE 41 59 59 PHE PHE P . n A 1 42 THR 42 60 60 THR THR P . n A 1 43 ASP 43 61 61 ASP ASP P . n A 1 44 PHE 44 62 62 PHE PHE P . n A 1 45 TYR 45 63 63 TYR TYR P . n A 1 46 VAL 46 64 64 VAL VAL P . n A 1 47 PRO 47 65 65 PRO PRO P . n A 1 48 VAL 48 66 66 VAL VAL P . n A 1 49 SER 49 67 67 SER SER P . n A 1 50 LEU 50 68 68 LEU LEU P . n A 1 51 DDZ 51 69 69 DDZ DDZ P . n A 1 52 THR 52 70 70 THR THR P . n A 1 53 PRO 53 71 71 PRO PRO P . n A 1 54 SER 54 72 72 SER SER P . n A 1 55 ARG 55 73 73 ARG ARG P . n A 1 56 ALA 56 74 74 ALA ALA P . n A 1 57 ALA 57 75 75 ALA ALA P . n A 1 58 LEU 58 76 76 LEU LEU P . n A 1 59 LEU 59 77 77 LEU LEU P . n A 1 60 THR 60 78 78 THR THR P . n A 1 61 GLY 61 79 79 GLY GLY P . n A 1 62 ARG 62 80 80 ARG ARG P . n A 1 63 LEU 63 81 81 LEU LEU P . n A 1 64 PRO 64 82 82 PRO PRO P . n A 1 65 VAL 65 83 83 VAL VAL P . n A 1 66 ARG 66 84 84 ARG ARG P . n A 1 67 MET 67 85 85 MET MET P . n A 1 68 GLY 68 86 86 GLY GLY P . n A 1 69 MET 69 87 87 MET MET P . n A 1 70 TYR 70 88 88 TYR TYR P . n A 1 71 PRO 71 89 89 PRO PRO P . n A 1 72 GLY 72 90 90 GLY GLY P . n A 1 73 VAL 73 91 91 VAL VAL P . n A 1 74 LEU 74 92 92 LEU LEU P . n A 1 75 VAL 75 93 93 VAL VAL P . n A 1 76 PRO 76 94 94 PRO PRO P . n A 1 77 SER 77 95 95 SER SER P . n A 1 78 SER 78 96 96 SER SER P . n A 1 79 ARG 79 97 97 ARG ARG P . n A 1 80 GLY 80 98 98 GLY GLY P . n A 1 81 GLY 81 99 99 GLY GLY P . n A 1 82 LEU 82 100 100 LEU LEU P . n A 1 83 PRO 83 101 101 PRO PRO P . n A 1 84 LEU 84 102 102 LEU LEU P . n A 1 85 GLU 85 103 103 GLU GLU P . n A 1 86 GLU 86 104 104 GLU GLU P . n A 1 87 VAL 87 105 105 VAL VAL P . n A 1 88 THR 88 106 106 THR THR P . n A 1 89 VAL 89 107 107 VAL VAL P . n A 1 90 ALA 90 108 108 ALA ALA P . n A 1 91 GLU 91 109 109 GLU GLU P . n A 1 92 VAL 92 110 110 VAL VAL P . n A 1 93 LEU 93 111 111 LEU LEU P . n A 1 94 ALA 94 112 112 ALA ALA P . n A 1 95 ALA 95 113 113 ALA ALA P . n A 1 96 ARG 96 114 114 ARG ARG P . n A 1 97 GLY 97 115 115 GLY GLY P . n A 1 98 TYR 98 116 116 TYR TYR P . n A 1 99 LEU 99 117 117 LEU LEU P . n A 1 100 THR 100 118 118 THR THR P . n A 1 101 GLY 101 119 119 GLY GLY P . n A 1 102 MET 102 120 120 MET MET P . n A 1 103 ALA 103 121 121 ALA ALA P . n A 1 104 GLY 104 122 122 GLY GLY P . n A 1 105 LYS 105 123 123 LYS LYS P . n A 1 106 TRP 106 124 124 TRP TRP P . n A 1 107 HIS 107 125 125 HIS HIS P . n A 1 108 LEU 108 126 126 LEU LEU P . n A 1 109 GLY 109 127 127 GLY GLY P . n A 1 110 VAL 110 128 128 VAL VAL P . n A 1 111 GLY 111 129 129 GLY GLY P . n A 1 112 PRO 112 130 130 PRO PRO P . n A 1 113 GLU 113 131 131 GLU GLU P . n A 1 114 GLY 114 132 132 GLY GLY P . n A 1 115 ALA 115 133 133 ALA ALA P . n A 1 116 PHE 116 134 134 PHE PHE P . n A 1 117 LEU 117 135 135 LEU LEU P . n A 1 118 PRO 118 136 136 PRO PRO P . n A 1 119 PRO 119 137 137 PRO PRO P . n A 1 120 HIS 120 138 138 HIS HIS P . n A 1 121 GLN 121 139 139 GLN GLN P . n A 1 122 GLY 122 140 140 GLY GLY P . n A 1 123 PHE 123 141 141 PHE PHE P . n A 1 124 HIS 124 142 142 HIS HIS P . n A 1 125 ARG 125 143 143 ARG ARG P . n A 1 126 PHE 126 144 144 PHE PHE P . n A 1 127 LEU 127 145 145 LEU LEU P . n A 1 128 GLY 128 146 146 GLY GLY P . n A 1 129 ILE 129 147 147 ILE ILE P . n A 1 130 PRO 130 148 148 PRO PRO P . n A 1 131 TYR 131 149 149 TYR TYR P . n A 1 132 SER 132 150 150 SER SER P . n A 1 133 HIS 133 151 151 HIS HIS P . n A 1 134 ASP 134 152 152 ASP ASP P . n A 1 135 GLN 135 153 153 GLN GLN P . n A 1 136 GLY 136 154 154 GLY GLY P . n A 1 137 PRO 137 155 155 PRO PRO P . n A 1 138 CYS 138 156 156 CYS CYS P . n A 1 139 GLN 139 157 157 GLN GLN P . n A 1 140 ASN 140 158 158 ASN ASN P . n A 1 141 LEU 141 159 159 LEU LEU P . n A 1 142 THR 142 160 160 THR THR P . n A 1 143 CYS 143 161 161 CYS CYS P . n A 1 144 PHE 144 162 162 PHE PHE P . n A 1 145 PRO 145 163 163 PRO PRO P . n A 1 146 PRO 146 164 164 PRO PRO P . n A 1 147 ALA 147 165 165 ALA ALA P . n A 1 148 THR 148 166 166 THR THR P . n A 1 149 PRO 149 167 167 PRO PRO P . n A 1 150 CYS 150 168 168 CYS CYS P . n A 1 151 ASP 151 169 169 ASP ASP P . n A 1 152 GLY 152 170 170 GLY GLY P . n A 1 153 GLY 153 171 171 GLY GLY P . n A 1 154 CYS 154 172 172 CYS CYS P . n A 1 155 ASP 155 173 173 ASP ASP P . n A 1 156 GLN 156 174 174 GLN GLN P . n A 1 157 GLY 157 175 175 GLY GLY P . n A 1 158 LEU 158 176 176 LEU LEU P . n A 1 159 VAL 159 177 177 VAL VAL P . n A 1 160 PRO 160 178 178 PRO PRO P . n A 1 161 ILE 161 179 179 ILE ILE P . n A 1 162 PRO 162 180 180 PRO PRO P . n A 1 163 LEU 163 181 181 LEU LEU P . n A 1 164 LEU 164 182 182 LEU LEU P . n A 1 165 ALA 165 183 183 ALA ALA P . n A 1 166 ASN 166 184 184 ASN ASN P . n A 1 167 LEU 167 185 185 LEU LEU P . n A 1 168 SER 168 186 186 SER SER P . n A 1 169 VAL 169 187 187 VAL VAL P . n A 1 170 GLU 170 188 188 GLU GLU P . n A 1 171 ALA 171 189 189 ALA ALA P . n A 1 172 GLN 172 190 190 GLN GLN P . n A 1 173 PRO 173 191 191 PRO PRO P . n A 1 174 PRO 174 192 192 PRO PRO P . n A 1 175 TRP 175 193 193 TRP TRP P . n A 1 176 LEU 176 194 194 LEU LEU P . n A 1 177 PRO 177 195 195 PRO PRO P . n A 1 178 GLY 178 196 196 GLY GLY P . n A 1 179 LEU 179 197 197 LEU LEU P . n A 1 180 GLU 180 198 198 GLU GLU P . n A 1 181 ALA 181 199 199 ALA ALA P . n A 1 182 ARG 182 200 200 ARG ARG P . n A 1 183 TYR 183 201 201 TYR TYR P . n A 1 184 MET 184 202 202 MET MET P . n A 1 185 ALA 185 203 203 ALA ALA P . n A 1 186 PHE 186 204 204 PHE PHE P . n A 1 187 ALA 187 205 205 ALA ALA P . n A 1 188 HIS 188 206 206 HIS HIS P . n A 1 189 ASP 189 207 207 ASP ASP P . n A 1 190 LEU 190 208 208 LEU LEU P . n A 1 191 MET 191 209 209 MET MET P . n A 1 192 ALA 192 210 210 ALA ALA P . n A 1 193 ASP 193 211 211 ASP ASP P . n A 1 194 ALA 194 212 212 ALA ALA P . n A 1 195 GLN 195 213 213 GLN GLN P . n A 1 196 ARG 196 214 214 ARG ARG P . n A 1 197 GLU 197 215 215 GLU GLU P . n A 1 198 ASP 198 216 216 ASP ASP P . n A 1 199 ARG 199 217 217 ARG ARG P . n A 1 200 PRO 200 218 218 PRO PRO P . n A 1 201 PHE 201 219 219 PHE PHE P . n A 1 202 PHE 202 220 220 PHE PHE P . n A 1 203 LEU 203 221 221 LEU LEU P . n A 1 204 TYR 204 222 222 TYR TYR P . n A 1 205 TYR 205 223 223 TYR TYR P . n A 1 206 ALA 206 224 224 ALA ALA P . n A 1 207 SER 207 225 225 SER SER P . n A 1 208 HIS 208 226 226 HIS HIS P . n A 1 209 HIS 209 227 227 HIS HIS P . n A 1 210 THR 210 228 228 THR THR P . n A 1 211 HIS 211 229 229 HIS HIS P . n A 1 212 TYR 212 230 230 TYR TYR P . n A 1 213 PRO 213 231 231 PRO PRO P . n A 1 214 GLN 214 232 232 GLN GLN P . n A 1 215 PHE 215 233 233 PHE PHE P . n A 1 216 SER 216 234 234 SER SER P . n A 1 217 GLY 217 235 235 GLY GLY P . n A 1 218 GLN 218 236 236 GLN GLN P . n A 1 219 SER 219 237 237 SER SER P . n A 1 220 PHE 220 238 238 PHE PHE P . n A 1 221 ALA 221 239 239 ALA ALA P . n A 1 222 GLU 222 240 240 GLU GLU P . n A 1 223 ARG 223 241 241 ARG ARG P . n A 1 224 SER 224 242 242 SER SER P . n A 1 225 GLY 225 243 243 GLY GLY P . n A 1 226 ARG 226 244 244 ARG ARG P . n A 1 227 GLY 227 245 245 GLY GLY P . n A 1 228 PRO 228 246 246 PRO PRO P . n A 1 229 PHE 229 247 247 PHE PHE P . n A 1 230 GLY 230 248 248 GLY GLY P . n A 1 231 ASP 231 249 249 ASP ASP P . n A 1 232 SER 232 250 250 SER SER P . n A 1 233 LEU 233 251 251 LEU LEU P . n A 1 234 MET 234 252 252 MET MET P . n A 1 235 GLU 235 253 253 GLU GLU P . n A 1 236 LEU 236 254 254 LEU LEU P . n A 1 237 ASP 237 255 255 ASP ASP P . n A 1 238 ALA 238 256 256 ALA ALA P . n A 1 239 ALA 239 257 257 ALA ALA P . n A 1 240 VAL 240 258 258 VAL VAL P . n A 1 241 GLY 241 259 259 GLY GLY P . n A 1 242 THR 242 260 260 THR THR P . n A 1 243 LEU 243 261 261 LEU LEU P . n A 1 244 MET 244 262 262 MET MET P . n A 1 245 THR 245 263 263 THR THR P . n A 1 246 ALA 246 264 264 ALA ALA P . n A 1 247 ILE 247 265 265 ILE ILE P . n A 1 248 GLY 248 266 266 GLY GLY P . n A 1 249 ASP 249 267 267 ASP ASP P . n A 1 250 LEU 250 268 268 LEU LEU P . n A 1 251 GLY 251 269 269 GLY GLY P . n A 1 252 LEU 252 270 270 LEU LEU P . n A 1 253 LEU 253 271 271 LEU LEU P . n A 1 254 GLU 254 272 272 GLU GLU P . n A 1 255 GLU 255 273 273 GLU GLU P . n A 1 256 THR 256 274 274 THR THR P . n A 1 257 LEU 257 275 275 LEU LEU P . n A 1 258 VAL 258 276 276 VAL VAL P . n A 1 259 ILE 259 277 277 ILE ILE P . n A 1 260 PHE 260 278 278 PHE PHE P . n A 1 261 THR 261 279 279 THR THR P . n A 1 262 ALA 262 280 280 ALA ALA P . n A 1 263 ASP 263 281 281 ASP ASP P . n A 1 264 ASN 264 282 282 ASN ASN P . n A 1 265 GLY 265 283 283 GLY GLY P . n A 1 266 PRO 266 284 284 PRO PRO P . n A 1 267 GLU 267 285 285 GLU GLU P . n A 1 268 THR 268 286 286 THR THR P . n A 1 269 MET 269 287 287 MET MET P . n A 1 270 ARG 270 288 288 ARG ARG P . n A 1 271 MET 271 289 289 MET MET P . n A 1 272 SER 272 290 290 SER SER P . n A 1 273 ARG 273 291 291 ARG ARG P . n A 1 274 GLY 274 292 292 GLY GLY P . n A 1 275 GLY 275 293 293 GLY GLY P . n A 1 276 CYS 276 294 294 CYS CYS P . n A 1 277 SER 277 295 295 SER SER P . n A 1 278 GLY 278 296 296 GLY GLY P . n A 1 279 LEU 279 297 297 LEU LEU P . n A 1 280 LEU 280 298 298 LEU LEU P . n A 1 281 ARG 281 299 299 ARG ARG P . n A 1 282 CYS 282 300 300 CYS CYS P . n A 1 283 GLY 283 301 301 GLY GLY P . n A 1 284 LYS 284 302 302 LYS LYS P . n A 1 285 GLY 285 303 303 GLY GLY P . n A 1 286 THR 286 304 304 THR THR P . n A 1 287 THR 287 305 305 THR THR P . n A 1 288 TYR 288 306 306 TYR TYR P . n A 1 289 GLU 289 307 307 GLU GLU P . n A 1 290 GLY 290 308 308 GLY GLY P . n A 1 291 GLY 291 309 309 GLY GLY P . n A 1 292 VAL 292 310 310 VAL VAL P . n A 1 293 ARG 293 311 311 ARG ARG P . n A 1 294 GLU 294 312 312 GLU GLU P . n A 1 295 PRO 295 313 313 PRO PRO P . n A 1 296 ALA 296 314 314 ALA ALA P . n A 1 297 LEU 297 315 315 LEU LEU P . n A 1 298 ALA 298 316 316 ALA ALA P . n A 1 299 PHE 299 317 317 PHE PHE P . n A 1 300 TRP 300 318 318 TRP TRP P . n A 1 301 PRO 301 319 319 PRO PRO P . n A 1 302 GLY 302 320 320 GLY GLY P . n A 1 303 HIS 303 321 321 HIS HIS P . n A 1 304 ILE 304 322 322 ILE ILE P . n A 1 305 ALA 305 323 323 ALA ALA P . n A 1 306 PRO 306 324 324 PRO PRO P . n A 1 307 GLY 307 325 325 GLY GLY P . n A 1 308 VAL 308 326 326 VAL VAL P . n A 1 309 THR 309 327 327 THR THR P . n A 1 310 HIS 310 328 328 HIS HIS P . n A 1 311 GLU 311 329 329 GLU GLU P . n A 1 312 LEU 312 330 330 LEU LEU P . n A 1 313 ALA 313 331 331 ALA ALA P . n A 1 314 SER 314 332 332 SER SER P . n A 1 315 SER 315 333 333 SER SER P . n A 1 316 LEU 316 334 334 LEU LEU P . n A 1 317 ASP 317 335 335 ASP ASP P . n A 1 318 LEU 318 336 336 LEU LEU P . n A 1 319 LEU 319 337 337 LEU LEU P . n A 1 320 PRO 320 338 338 PRO PRO P . n A 1 321 THR 321 339 339 THR THR P . n A 1 322 LEU 322 340 340 LEU LEU P . n A 1 323 ALA 323 341 341 ALA ALA P . n A 1 324 ALA 324 342 342 ALA ALA P . n A 1 325 LEU 325 343 343 LEU LEU P . n A 1 326 ALA 326 344 344 ALA ALA P . n A 1 327 GLY 327 345 345 GLY GLY P . n A 1 328 ALA 328 346 346 ALA ALA P . n A 1 329 PRO 329 347 347 PRO PRO P . n A 1 330 LEU 330 348 348 LEU LEU P . n A 1 331 PRO 331 349 349 PRO PRO P . n A 1 332 ASN 332 350 350 ASN ASN P . n A 1 333 VAL 333 351 351 VAL VAL P . n A 1 334 THR 334 352 352 THR THR P . n A 1 335 LEU 335 353 353 LEU LEU P . n A 1 336 ASP 336 354 354 ASP ASP P . n A 1 337 GLY 337 355 355 GLY GLY P . n A 1 338 PHE 338 356 356 PHE PHE P . n A 1 339 ASP 339 357 357 ASP ASP P . n A 1 340 LEU 340 358 358 LEU LEU P . n A 1 341 SER 341 359 359 SER SER P . n A 1 342 PRO 342 360 360 PRO PRO P . n A 1 343 LEU 343 361 361 LEU LEU P . n A 1 344 LEU 344 362 362 LEU LEU P . n A 1 345 LEU 345 363 363 LEU LEU P . n A 1 346 GLY 346 364 364 GLY GLY P . n A 1 347 THR 347 365 365 THR THR P . n A 1 348 GLY 348 366 366 GLY GLY P . n A 1 349 LYS 349 367 367 LYS LYS P . n A 1 350 SER 350 368 368 SER SER P . n A 1 351 PRO 351 369 369 PRO PRO P . n A 1 352 ARG 352 370 370 ARG ARG P . n A 1 353 GLN 353 371 371 GLN GLN P . n A 1 354 SER 354 372 372 SER SER P . n A 1 355 LEU 355 373 373 LEU LEU P . n A 1 356 PHE 356 374 374 PHE PHE P . n A 1 357 PHE 357 375 375 PHE PHE P . n A 1 358 TYR 358 376 376 TYR TYR P . n A 1 359 PRO 359 377 377 PRO PRO P . n A 1 360 SER 360 378 378 SER SER P . n A 1 361 TYR 361 379 379 TYR TYR P . n A 1 362 PRO 362 380 380 PRO PRO P . n A 1 363 ASP 363 381 381 ASP ASP P . n A 1 364 GLU 364 382 382 GLU GLU P . n A 1 365 VAL 365 383 383 VAL VAL P . n A 1 366 ARG 366 384 384 ARG ARG P . n A 1 367 GLY 367 385 385 GLY GLY P . n A 1 368 VAL 368 386 386 VAL VAL P . n A 1 369 PHE 369 387 387 PHE PHE P . n A 1 370 ALA 370 388 388 ALA ALA P . n A 1 371 VAL 371 389 389 VAL VAL P . n A 1 372 ARG 372 390 390 ARG ARG P . n A 1 373 THR 373 391 391 THR THR P . n A 1 374 GLY 374 392 392 GLY GLY P . n A 1 375 LYS 375 393 393 LYS LYS P . n A 1 376 TYR 376 394 394 TYR TYR P . n A 1 377 LYS 377 395 395 LYS LYS P . n A 1 378 ALA 378 396 396 ALA ALA P . n A 1 379 HIS 379 397 397 HIS HIS P . n A 1 380 PHE 380 398 398 PHE PHE P . n A 1 381 PHE 381 399 399 PHE PHE P . n A 1 382 THR 382 400 400 THR THR P . n A 1 383 GLN 383 401 401 GLN GLN P . n A 1 384 GLY 384 402 402 GLY GLY P . n A 1 385 SER 385 403 403 SER SER P . n A 1 386 ALA 386 404 404 ALA ALA P . n A 1 387 HIS 387 405 405 HIS HIS P . n A 1 388 SER 388 406 406 SER SER P . n A 1 389 ASP 389 407 407 ASP ASP P . n A 1 390 THR 390 408 408 THR THR P . n A 1 391 THR 391 409 409 THR THR P . n A 1 392 ALA 392 410 410 ALA ALA P . n A 1 393 ASP 393 411 411 ASP ASP P . n A 1 394 PRO 394 412 412 PRO PRO P . n A 1 395 ALA 395 413 413 ALA ALA P . n A 1 396 CYS 396 414 414 CYS CYS P . n A 1 397 HIS 397 415 415 HIS HIS P . n A 1 398 ALA 398 416 416 ALA ALA P . n A 1 399 SER 399 417 417 SER SER P . n A 1 400 SER 400 418 418 SER SER P . n A 1 401 SER 401 419 419 SER SER P . n A 1 402 LEU 402 420 420 LEU LEU P . n A 1 403 THR 403 421 421 THR THR P . n A 1 404 ALA 404 422 422 ALA ALA P . n A 1 405 HIS 405 423 423 HIS HIS P . n A 1 406 GLU 406 424 424 GLU GLU P . n A 1 407 PRO 407 425 425 PRO PRO P . n A 1 408 LEU 408 426 426 LEU LEU P . n A 1 409 LEU 409 427 427 LEU LEU P . n A 1 410 LEU 410 428 428 LEU LEU P . n A 1 411 TYR 411 429 429 TYR TYR P . n A 1 412 ASP 412 430 430 ASP ASP P . n A 1 413 LEU 413 431 431 LEU LEU P . n A 1 414 SER 414 432 432 SER SER P . n A 1 415 LYS 415 433 433 LYS LYS P . n A 1 416 ASP 416 434 434 ASP ASP P . n A 1 417 PRO 417 435 435 PRO PRO P . n A 1 418 GLY 418 436 436 GLY GLY P . n A 1 419 GLU 419 437 437 GLU GLU P . n A 1 420 ASN 420 438 438 ASN ASN P . n A 1 421 TYR 421 439 439 TYR TYR P . n A 1 422 ASN 422 440 440 ASN ASN P . n A 1 423 LEU 423 441 441 LEU LEU P . n A 1 424 LEU 424 442 442 LEU LEU P . n A 1 425 GLY 425 443 443 GLY GLY P . n A 1 426 GLY 426 444 ? ? ? P . n A 1 427 VAL 427 445 ? ? ? P . n A 1 428 ALA 428 446 ? ? ? P . n A 1 429 GLY 429 447 ? ? ? P . n A 1 430 ALA 430 448 448 ALA ALA P . n A 1 431 THR 431 449 449 THR THR P . n A 1 432 PRO 432 450 450 PRO PRO P . n A 1 433 GLU 433 451 451 GLU GLU P . n A 1 434 VAL 434 452 452 VAL VAL P . n A 1 435 LEU 435 453 453 LEU LEU P . n A 1 436 GLN 436 454 454 GLN GLN P . n A 1 437 ALA 437 455 455 ALA ALA P . n A 1 438 LEU 438 456 456 LEU LEU P . n A 1 439 LYS 439 457 457 LYS LYS P . n A 1 440 GLN 440 458 458 GLN GLN P . n A 1 441 LEU 441 459 459 LEU LEU P . n A 1 442 GLN 442 460 460 GLN GLN P . n A 1 443 LEU 443 461 461 LEU LEU P . n A 1 444 LEU 444 462 462 LEU LEU P . n A 1 445 LYS 445 463 463 LYS LYS P . n A 1 446 ALA 446 464 464 ALA ALA P . n A 1 447 GLN 447 465 465 GLN GLN P . n A 1 448 LEU 448 466 466 LEU LEU P . n A 1 449 ASP 449 467 467 ASP ASP P . n A 1 450 ALA 450 468 468 ALA ALA P . n A 1 451 ALA 451 469 469 ALA ALA P . n A 1 452 VAL 452 470 470 VAL VAL P . n A 1 453 THR 453 471 471 THR THR P . n A 1 454 PHE 454 472 472 PHE PHE P . n A 1 455 GLY 455 473 473 GLY GLY P . n A 1 456 PRO 456 474 474 PRO PRO P . n A 1 457 SER 457 475 475 SER SER P . n A 1 458 GLN 458 476 476 GLN GLN P . n A 1 459 VAL 459 477 477 VAL VAL P . n A 1 460 ALA 460 478 478 ALA ALA P . n A 1 461 ARG 461 479 479 ARG ARG P . n A 1 462 GLY 462 480 480 GLY GLY P . n A 1 463 GLU 463 481 481 GLU GLU P . n A 1 464 ASP 464 482 482 ASP ASP P . n A 1 465 PRO 465 483 483 PRO PRO P . n A 1 466 ALA 466 484 484 ALA ALA P . n A 1 467 LEU 467 485 485 LEU LEU P . n A 1 468 GLN 468 486 486 GLN GLN P . n A 1 469 ILE 469 487 487 ILE ILE P . n A 1 470 CYS 470 488 488 CYS CYS P . n A 1 471 CYS 471 489 489 CYS CYS P . n A 1 472 HIS 472 490 490 HIS HIS P . n A 1 473 PRO 473 491 491 PRO PRO P . n A 1 474 GLY 474 492 492 GLY GLY P . n A 1 475 CYS 475 493 493 CYS CYS P . n A 1 476 THR 476 494 494 THR THR P . n A 1 477 PRO 477 495 495 PRO PRO P . n A 1 478 ARG 478 496 496 ARG ARG P . n A 1 479 PRO 479 497 497 PRO PRO P . n A 1 480 ALA 480 498 498 ALA ALA P . n A 1 481 CYS 481 499 499 CYS CYS P . n A 1 482 CYS 482 500 500 CYS CYS P . n A 1 483 HIS 483 501 501 HIS HIS P . n A 1 484 CYS 484 502 502 CYS CYS P . n A 1 485 PRO 485 503 503 PRO PRO P . n A 1 486 ASP 486 504 ? ? ? P . n A 1 487 PRO 487 505 ? ? ? P . n A 1 488 HIS 488 506 ? ? ? P . n A 1 489 ALA 489 507 ? ? ? P . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 601 601 NAG NDG P . C 2 NAG 2 602 602 NAG NDG P . D 3 MG 1 603 603 MG MG P . E 4 HOH 1 2001 2001 HOH HOH P . E 4 HOH 2 2002 2002 HOH HOH P . E 4 HOH 3 2003 2003 HOH HOH P . E 4 HOH 4 2004 2004 HOH HOH P . E 4 HOH 5 2005 2005 HOH HOH P . E 4 HOH 6 2006 2006 HOH HOH P . E 4 HOH 7 2007 2007 HOH HOH P . E 4 HOH 8 2008 2008 HOH HOH P . E 4 HOH 9 2009 2009 HOH HOH P . E 4 HOH 10 2010 2010 HOH HOH P . E 4 HOH 11 2011 2011 HOH HOH P . E 4 HOH 12 2012 2012 HOH HOH P . E 4 HOH 13 2013 2013 HOH HOH P . E 4 HOH 14 2014 2014 HOH HOH P . E 4 HOH 15 2015 2015 HOH HOH P . E 4 HOH 16 2016 2016 HOH HOH P . E 4 HOH 17 2017 2017 HOH HOH P . E 4 HOH 18 2018 2018 HOH HOH P . E 4 HOH 19 2019 2019 HOH HOH P . E 4 HOH 20 2020 2020 HOH HOH P . E 4 HOH 21 2021 2021 HOH HOH P . E 4 HOH 22 2022 2022 HOH HOH P . E 4 HOH 23 2023 2023 HOH HOH P . E 4 HOH 24 2024 2024 HOH HOH P . E 4 HOH 25 2025 2025 HOH HOH P . E 4 HOH 26 2026 2026 HOH HOH P . E 4 HOH 27 2027 2027 HOH HOH P . E 4 HOH 28 2028 2028 HOH HOH P . E 4 HOH 29 2029 2029 HOH HOH P . E 4 HOH 30 2030 2030 HOH HOH P . E 4 HOH 31 2031 2031 HOH HOH P . E 4 HOH 32 2032 2032 HOH HOH P . E 4 HOH 33 2033 2033 HOH HOH P . E 4 HOH 34 2034 2034 HOH HOH P . E 4 HOH 35 2035 2035 HOH HOH P . E 4 HOH 36 2036 2036 HOH HOH P . E 4 HOH 37 2037 2037 HOH HOH P . E 4 HOH 38 2038 2038 HOH HOH P . E 4 HOH 39 2039 2039 HOH HOH P . E 4 HOH 40 2040 2040 HOH HOH P . E 4 HOH 41 2041 2041 HOH HOH P . E 4 HOH 42 2042 2042 HOH HOH P . E 4 HOH 43 2043 2043 HOH HOH P . E 4 HOH 44 2044 2044 HOH HOH P . E 4 HOH 45 2045 2045 HOH HOH P . E 4 HOH 46 2046 2046 HOH HOH P . E 4 HOH 47 2047 2047 HOH HOH P . E 4 HOH 48 2048 2048 HOH HOH P . E 4 HOH 49 2049 2049 HOH HOH P . E 4 HOH 50 2050 2050 HOH HOH P . E 4 HOH 51 2051 2051 HOH HOH P . E 4 HOH 52 2052 2052 HOH HOH P . E 4 HOH 53 2053 2053 HOH HOH P . E 4 HOH 54 2054 2054 HOH HOH P . E 4 HOH 55 2055 2055 HOH HOH P . E 4 HOH 56 2056 2056 HOH HOH P . E 4 HOH 57 2057 2057 HOH HOH P . E 4 HOH 58 2058 2058 HOH HOH P . E 4 HOH 59 2059 2059 HOH HOH P . E 4 HOH 60 2060 2060 HOH HOH P . E 4 HOH 61 2061 2061 HOH HOH P . E 4 HOH 62 2062 2062 HOH HOH P . E 4 HOH 63 2063 2063 HOH HOH P . E 4 HOH 64 2064 2064 HOH HOH P . E 4 HOH 65 2065 2065 HOH HOH P . E 4 HOH 66 2066 2066 HOH HOH P . E 4 HOH 67 2067 2067 HOH HOH P . E 4 HOH 68 2068 2068 HOH HOH P . E 4 HOH 69 2069 2069 HOH HOH P . E 4 HOH 70 2070 2070 HOH HOH P . E 4 HOH 71 2071 2071 HOH HOH P . E 4 HOH 72 2072 2072 HOH HOH P . E 4 HOH 73 2073 2073 HOH HOH P . E 4 HOH 74 2074 2074 HOH HOH P . E 4 HOH 75 2075 2075 HOH HOH P . E 4 HOH 76 2076 2076 HOH HOH P . E 4 HOH 77 2077 2077 HOH HOH P . E 4 HOH 78 2078 2078 HOH HOH P . E 4 HOH 79 2079 2079 HOH HOH P . E 4 HOH 80 2080 2080 HOH HOH P . E 4 HOH 81 2081 2081 HOH HOH P . E 4 HOH 82 2082 2082 HOH HOH P . E 4 HOH 83 2083 2083 HOH HOH P . E 4 HOH 84 2084 2084 HOH HOH P . E 4 HOH 85 2085 2085 HOH HOH P . E 4 HOH 86 2086 2086 HOH HOH P . E 4 HOH 87 2087 2087 HOH HOH P . E 4 HOH 88 2088 2088 HOH HOH P . E 4 HOH 89 2089 2089 HOH HOH P . E 4 HOH 90 2090 2090 HOH HOH P . E 4 HOH 91 2091 2091 HOH HOH P . E 4 HOH 92 2092 2092 HOH HOH P . E 4 HOH 93 2093 2093 HOH HOH P . E 4 HOH 94 2094 2094 HOH HOH P . E 4 HOH 95 2095 2095 HOH HOH P . E 4 HOH 96 2096 2096 HOH HOH P . E 4 HOH 97 2097 2097 HOH HOH P . E 4 HOH 98 2098 2098 HOH HOH P . E 4 HOH 99 2099 2099 HOH HOH P . E 4 HOH 100 2100 2100 HOH HOH P . E 4 HOH 101 2101 2101 HOH HOH P . E 4 HOH 102 2102 2102 HOH HOH P . E 4 HOH 103 2103 2103 HOH HOH P . E 4 HOH 104 2104 2104 HOH HOH P . E 4 HOH 105 2105 2105 HOH HOH P . E 4 HOH 106 2106 2106 HOH HOH P . E 4 HOH 107 2107 2107 HOH HOH P . E 4 HOH 108 2108 2108 HOH HOH P . E 4 HOH 109 2109 2109 HOH HOH P . E 4 HOH 110 2110 2110 HOH HOH P . E 4 HOH 111 2111 2111 HOH HOH P . E 4 HOH 112 2112 2112 HOH HOH P . E 4 HOH 113 2113 2113 HOH HOH P . E 4 HOH 114 2114 2114 HOH HOH P . E 4 HOH 115 2115 2115 HOH HOH P . E 4 HOH 116 2116 2116 HOH HOH P . E 4 HOH 117 2117 2117 HOH HOH P . E 4 HOH 118 2118 2118 HOH HOH P . E 4 HOH 119 2119 2119 HOH HOH P . E 4 HOH 120 2120 2120 HOH HOH P . E 4 HOH 121 2121 2121 HOH HOH P . E 4 HOH 122 2122 2122 HOH HOH P . E 4 HOH 123 2123 2123 HOH HOH P . E 4 HOH 124 2124 2124 HOH HOH P . E 4 HOH 125 2125 2125 HOH HOH P . E 4 HOH 126 2126 2126 HOH HOH P . E 4 HOH 127 2127 2127 HOH HOH P . E 4 HOH 128 2128 2128 HOH HOH P . E 4 HOH 129 2129 2129 HOH HOH P . E 4 HOH 130 2130 2130 HOH HOH P . E 4 HOH 131 2131 2131 HOH HOH P . E 4 HOH 132 2132 2132 HOH HOH P . E 4 HOH 133 2133 2133 HOH HOH P . E 4 HOH 134 2134 2134 HOH HOH P . E 4 HOH 135 2135 2135 HOH HOH P . E 4 HOH 136 2136 2136 HOH HOH P . E 4 HOH 137 2137 2137 HOH HOH P . E 4 HOH 138 2138 2138 HOH HOH P . E 4 HOH 139 2139 2139 HOH HOH P . E 4 HOH 140 2140 2140 HOH HOH P . E 4 HOH 141 2141 2141 HOH HOH P . E 4 HOH 142 2142 2142 HOH HOH P . E 4 HOH 143 2143 2143 HOH HOH P . E 4 HOH 144 2144 2144 HOH HOH P . E 4 HOH 145 2145 2145 HOH HOH P . E 4 HOH 146 2146 2146 HOH HOH P . E 4 HOH 147 2147 2147 HOH HOH P . E 4 HOH 148 2148 2148 HOH HOH P . E 4 HOH 149 2149 2149 HOH HOH P . E 4 HOH 150 2150 2150 HOH HOH P . E 4 HOH 151 2151 2151 HOH HOH P . E 4 HOH 152 2152 2152 HOH HOH P . E 4 HOH 153 2153 2153 HOH HOH P . E 4 HOH 154 2154 2154 HOH HOH P . E 4 HOH 155 2155 2155 HOH HOH P . E 4 HOH 156 2156 2156 HOH HOH P . E 4 HOH 157 2157 2157 HOH HOH P . E 4 HOH 158 2158 2158 HOH HOH P . E 4 HOH 159 2159 2159 HOH HOH P . E 4 HOH 160 2160 2160 HOH HOH P . E 4 HOH 161 2161 2161 HOH HOH P . E 4 HOH 162 2162 2162 HOH HOH P . E 4 HOH 163 2163 2163 HOH HOH P . E 4 HOH 164 2164 2164 HOH HOH P . E 4 HOH 165 2165 2165 HOH HOH P . E 4 HOH 166 2166 2166 HOH HOH P . E 4 HOH 167 2167 2167 HOH HOH P . E 4 HOH 168 2168 2168 HOH HOH P . E 4 HOH 169 2169 2169 HOH HOH P . E 4 HOH 170 2170 2170 HOH HOH P . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id DDZ _pdbx_struct_mod_residue.label_seq_id 51 _pdbx_struct_mod_residue.auth_asym_id P _pdbx_struct_mod_residue.auth_comp_id DDZ _pdbx_struct_mod_residue.auth_seq_id 69 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id CYS _pdbx_struct_mod_residue.details 'modified residue' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PQS _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E # 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)' 2780 ? 1 MORE -17.5 ? 1 'SSA (A^2)' 38490 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 7_555 y,x,-z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 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 OD1 ? A ASN 264 ? P ASN 282 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OD1 ? A ASP 12 ? P ASP 30 ? 1_555 85.1 ? 2 OD1 ? A ASN 264 ? P ASN 282 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OD1 ? A ASP 11 ? P ASP 29 ? 1_555 150.4 ? 3 OD1 ? A ASP 12 ? P ASP 30 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OD1 ? A ASP 11 ? P ASP 29 ? 1_555 85.7 ? 4 OD1 ? A ASN 264 ? P ASN 282 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OD1 ? A ASP 263 ? P ASP 281 ? 1_555 78.9 ? 5 OD1 ? A ASP 12 ? P ASP 30 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OD1 ? A ASP 263 ? P ASP 281 ? 1_555 93.9 ? 6 OD1 ? A ASP 11 ? P ASP 29 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OD1 ? A ASP 263 ? P ASP 281 ? 1_555 73.8 ? 7 OD1 ? A ASN 264 ? P ASN 282 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OD2 ? A ASP 263 ? P ASP 281 ? 1_555 85.4 ? 8 OD1 ? A ASP 12 ? P ASP 30 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OD2 ? A ASP 263 ? P ASP 281 ? 1_555 145.9 ? 9 OD1 ? A ASP 11 ? P ASP 29 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OD2 ? A ASP 263 ? P ASP 281 ? 1_555 86.7 ? 10 OD1 ? A ASP 263 ? P ASP 281 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OD2 ? A ASP 263 ? P ASP 281 ? 1_555 52.1 ? 11 OD1 ? A ASN 264 ? P ASN 282 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OG1 ? A DDZ 51 ? P DDZ 69 ? 1_555 99.0 ? 12 OD1 ? A ASP 12 ? P ASP 30 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OG1 ? A DDZ 51 ? P DDZ 69 ? 1_555 122.7 ? 13 OD1 ? A ASP 11 ? P ASP 29 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OG1 ? A DDZ 51 ? P DDZ 69 ? 1_555 109.6 ? 14 OD1 ? A ASP 263 ? P ASP 281 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OG1 ? A DDZ 51 ? P DDZ 69 ? 1_555 143.2 ? 15 OD2 ? A ASP 263 ? P ASP 281 ? 1_555 MG ? D MG . ? P MG 603 ? 1_555 OG1 ? A DDZ 51 ? P DDZ 69 ? 1_555 91.1 ? # 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 2001-05-25 2 'Structure model' 1 1 2011-05-08 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 2 0 2018-07-11 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Version format compliance' 3 4 'Structure model' Advisory 4 4 'Structure model' 'Atomic model' 5 4 'Structure model' 'Data collection' 6 4 'Structure model' 'Database references' 7 4 'Structure model' 'Derived calculations' 8 4 'Structure model' 'Non-polymer description' 9 4 'Structure model' 'Source and taxonomy' 10 4 'Structure model' 'Structure summary' # 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 4 'Structure model' atom_site 2 4 'Structure model' audit_author 3 4 'Structure model' chem_comp 4 4 'Structure model' citation 5 4 'Structure model' citation_author 6 4 'Structure model' database_PDB_caveat 7 4 'Structure model' diffrn_source 8 4 'Structure model' entity 9 4 'Structure model' entity_name_com 10 4 'Structure model' entity_src_gen 11 4 'Structure model' entity_src_nat 12 4 'Structure model' pdbx_entity_nonpoly 13 4 'Structure model' pdbx_nonpoly_scheme 14 4 'Structure model' pdbx_struct_mod_residue 15 4 'Structure model' pdbx_validate_chiral 16 4 'Structure model' struct_conn 17 4 'Structure model' struct_ref 18 4 'Structure model' struct_site_gen # 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 4 'Structure model' '_atom_site.B_iso_or_equiv' 2 4 'Structure model' '_atom_site.Cartn_x' 3 4 'Structure model' '_atom_site.Cartn_y' 4 4 'Structure model' '_atom_site.Cartn_z' 5 4 'Structure model' '_atom_site.auth_atom_id' 6 4 'Structure model' '_atom_site.auth_comp_id' 7 4 'Structure model' '_atom_site.label_atom_id' 8 4 'Structure model' '_atom_site.label_comp_id' 9 4 'Structure model' '_atom_site.type_symbol' 10 4 'Structure model' '_audit_author.name' 11 4 'Structure model' '_chem_comp.id' 12 4 'Structure model' '_chem_comp.name' 13 4 'Structure model' '_citation.journal_abbrev' 14 4 'Structure model' '_citation.page_last' 15 4 'Structure model' '_citation.pdbx_database_id_DOI' 16 4 'Structure model' '_citation.title' 17 4 'Structure model' '_citation_author.name' 18 4 'Structure model' '_diffrn_source.pdbx_synchrotron_site' 19 4 'Structure model' '_entity.pdbx_description' 20 4 'Structure model' '_entity.pdbx_mutation' 21 4 'Structure model' '_entity.src_method' 22 4 'Structure model' '_entity_name_com.name' 23 4 'Structure model' '_pdbx_entity_nonpoly.comp_id' 24 4 'Structure model' '_pdbx_entity_nonpoly.name' 25 4 'Structure model' '_pdbx_nonpoly_scheme.mon_id' 26 4 'Structure model' '_pdbx_nonpoly_scheme.pdb_mon_id' 27 4 'Structure model' '_struct_conn.ptnr1_auth_comp_id' 28 4 'Structure model' '_struct_conn.ptnr1_label_comp_id' 29 4 'Structure model' '_struct_conn.ptnr2_auth_comp_id' 30 4 'Structure model' '_struct_conn.ptnr2_label_comp_id' 31 4 'Structure model' '_struct_ref.pdbx_align_begin' 32 4 'Structure model' '_struct_ref.pdbx_seq_one_letter_code' 33 4 'Structure model' '_struct_site_gen.auth_comp_id' 34 4 'Structure model' '_struct_site_gen.label_comp_id' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement . ? 1 DENZO 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 # _pdbx_entry_details.entry_id 1E33 _pdbx_entry_details.compound_details 'CHAIN P ENGINEERED MUTATION PRO426LEU' _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;MODRES: 1E33 DDZ P 69() POST-TRANSLATIONAL MODIFICATION OF CYSTEINE ; # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O P HOH 2037 ? ? O P HOH 2038 ? ? 1.85 2 1 O P HOH 2068 ? ? O P HOH 2070 ? ? 1.90 3 1 OE1 P GLU 109 ? ? O P HOH 2037 ? ? 1.96 4 1 O P ARG 217 ? ? O P HOH 2067 ? ? 1.96 5 1 O P HOH 2161 ? ? O P HOH 2162 ? ? 2.02 6 1 O P TRP 124 ? ? O P HOH 2039 ? ? 2.07 7 1 OG1 P THR 409 ? ? O P HOH 2140 ? ? 2.09 8 1 O P HOH 2035 ? ? O P HOH 2070 ? ? 2.11 9 1 OD2 P ASP 357 ? ? O P HOH 2116 ? ? 2.14 10 1 O P LEU 102 ? ? O P HOH 2037 ? ? 2.15 11 1 O P HOH 2117 ? ? O P HOH 2119 ? ? 2.17 12 1 OD1 P ASP 357 ? ? OG P SER 359 ? ? 2.17 13 1 C P TRP 124 ? ? O P HOH 2039 ? ? 2.18 14 1 O P HOH 2112 ? ? O P HOH 2123 ? ? 2.18 15 1 O P GLY 129 ? ? O P HOH 2042 ? ? 2.19 16 1 O P HOH 2005 ? ? O P HOH 2018 ? ? 2.19 # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CB P SER 295 ? ? OG P SER 295 ? ? 1.504 1.418 0.086 0.013 N 2 1 CD P PRO 503 ? ? N P PRO 503 ? ? 1.565 1.474 0.091 0.014 N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB P PHE 27 ? ? CG P PHE 27 ? ? CD1 P PHE 27 ? ? 125.67 120.80 4.87 0.70 N 2 1 CB P ASP 29 ? ? CG P ASP 29 ? ? OD2 P ASP 29 ? ? 129.23 118.30 10.93 0.90 N 3 1 CB P TYR 33 ? ? CG P TYR 33 ? ? CD2 P TYR 33 ? ? 112.54 121.00 -8.46 0.60 N 4 1 CB P TYR 33 ? ? CG P TYR 33 ? ? CD1 P TYR 33 ? ? 128.95 121.00 7.95 0.60 N 5 1 CA P CYS 38 ? ? CB P CYS 38 ? ? SG P CYS 38 ? ? 122.64 114.20 8.44 1.10 N 6 1 N P TYR 39 ? ? CA P TYR 39 ? ? CB P TYR 39 ? ? 123.00 110.60 12.40 1.80 N 7 1 N P SER 43 ? ? CA P SER 43 ? ? CB P SER 43 ? ? 120.04 110.50 9.54 1.50 N 8 1 NE P ARG 58 ? ? CZ P ARG 58 ? ? NH1 P ARG 58 ? ? 116.54 120.30 -3.76 0.50 N 9 1 CD P ARG 73 ? ? NE P ARG 73 ? ? CZ P ARG 73 ? ? 144.84 123.60 21.24 1.40 N 10 1 NE P ARG 73 ? ? CZ P ARG 73 ? ? NH1 P ARG 73 ? ? 112.48 120.30 -7.82 0.50 N 11 1 NE P ARG 73 ? ? CZ P ARG 73 ? ? NH2 P ARG 73 ? ? 123.61 120.30 3.31 0.50 N 12 1 NE P ARG 80 ? ? CZ P ARG 80 ? ? NH1 P ARG 80 ? ? 115.63 120.30 -4.67 0.50 N 13 1 NE P ARG 80 ? ? CZ P ARG 80 ? ? NH2 P ARG 80 ? ? 125.88 120.30 5.58 0.50 N 14 1 NE P ARG 84 ? ? CZ P ARG 84 ? ? NH2 P ARG 84 ? ? 124.42 120.30 4.12 0.50 N 15 1 NE P ARG 97 ? ? CZ P ARG 97 ? ? NH1 P ARG 97 ? ? 115.75 120.30 -4.55 0.50 N 16 1 NE P ARG 97 ? ? CZ P ARG 97 ? ? NH2 P ARG 97 ? ? 126.91 120.30 6.61 0.50 N 17 1 CB P ALA 108 ? ? CA P ALA 108 ? ? C P ALA 108 ? ? 121.97 110.10 11.87 1.50 N 18 1 OE1 P GLU 109 ? ? CD P GLU 109 ? ? OE2 P GLU 109 ? ? 102.80 123.30 -20.50 1.20 N 19 1 CG P GLU 109 ? ? CD P GLU 109 ? ? OE1 P GLU 109 ? ? 132.86 118.30 14.56 2.00 N 20 1 CB P TYR 116 ? ? CG P TYR 116 ? ? CD1 P TYR 116 ? ? 124.93 121.00 3.93 0.60 N 21 1 CD P ARG 143 ? ? NE P ARG 143 ? ? CZ P ARG 143 ? ? 136.94 123.60 13.34 1.40 N 22 1 NE P ARG 143 ? ? CZ P ARG 143 ? ? NH1 P ARG 143 ? ? 125.57 120.30 5.27 0.50 N 23 1 NE P ARG 143 ? ? CZ P ARG 143 ? ? NH2 P ARG 143 ? ? 111.88 120.30 -8.42 0.50 N 24 1 CB P TYR 149 ? ? CG P TYR 149 ? ? CD1 P TYR 149 ? ? 116.56 121.00 -4.44 0.60 N 25 1 CB P CYS 161 ? ? CA P CYS 161 ? ? C P CYS 161 ? ? 118.74 111.50 7.24 1.20 N 26 1 C P GLY 170 ? ? N P GLY 171 ? ? CA P GLY 171 ? ? 109.68 122.30 -12.62 2.10 Y 27 1 N P GLY 171 ? ? CA P GLY 171 ? ? C P GLY 171 ? ? 128.65 113.10 15.55 2.50 N 28 1 N P VAL 177 ? ? CA P VAL 177 ? ? CB P VAL 177 ? ? 95.01 111.50 -16.49 2.20 N 29 1 CA P VAL 177 ? ? CB P VAL 177 ? ? CG1 P VAL 177 ? ? 120.11 110.90 9.21 1.50 N 30 1 CA P ILE 179 ? ? CB P ILE 179 ? ? CG1 P ILE 179 ? ? 99.55 111.00 -11.45 1.90 N 31 1 CA P ILE 179 ? ? CB P ILE 179 ? ? CG2 P ILE 179 ? ? 131.57 110.90 20.67 2.00 N 32 1 CB P TRP 193 ? ? CG P TRP 193 ? ? CD1 P TRP 193 ? ? 135.07 127.00 8.07 1.30 N 33 1 NE P ARG 200 ? ? CZ P ARG 200 ? ? NH1 P ARG 200 ? ? 126.46 120.30 6.16 0.50 N 34 1 NE P ARG 200 ? ? CZ P ARG 200 ? ? NH2 P ARG 200 ? ? 114.27 120.30 -6.03 0.50 N 35 1 CB P ASP 207 ? ? CG P ASP 207 ? ? OD2 P ASP 207 ? ? 109.91 118.30 -8.39 0.90 N 36 1 CB P ALA 210 ? ? CA P ALA 210 ? ? C P ALA 210 ? ? 122.58 110.10 12.48 1.50 N 37 1 NE P ARG 217 ? ? CZ P ARG 217 ? ? NH2 P ARG 217 ? ? 125.49 120.30 5.19 0.50 N 38 1 CB P TYR 230 ? ? CG P TYR 230 ? ? CD2 P TYR 230 ? ? 126.68 121.00 5.68 0.60 N 39 1 CB P TYR 230 ? ? CG P TYR 230 ? ? CD1 P TYR 230 ? ? 114.90 121.00 -6.10 0.60 N 40 1 CA P SER 242 ? ? C P SER 242 ? ? N P GLY 243 ? ? 131.10 116.20 14.90 2.00 Y 41 1 C P SER 242 ? ? N P GLY 243 ? ? CA P GLY 243 ? ? 105.62 122.30 -16.68 2.10 Y 42 1 NH1 P ARG 244 ? ? CZ P ARG 244 ? ? NH2 P ARG 244 ? ? 104.56 119.40 -14.84 1.10 N 43 1 NE P ARG 244 ? ? CZ P ARG 244 ? ? NH1 P ARG 244 ? ? 134.10 120.30 13.80 0.50 N 44 1 CB P ASP 249 ? ? CG P ASP 249 ? ? OD2 P ASP 249 ? ? 111.89 118.30 -6.41 0.90 N 45 1 CB P ASP 255 ? ? CG P ASP 255 ? ? OD1 P ASP 255 ? ? 124.97 118.30 6.67 0.90 N 46 1 CB P ASP 267 ? ? CG P ASP 267 ? ? OD2 P ASP 267 ? ? 109.53 118.30 -8.77 0.90 N 47 1 CB P THR 279 ? ? CA P THR 279 ? ? C P THR 279 ? ? 93.90 111.60 -17.70 2.70 N 48 1 N P THR 279 ? ? CA P THR 279 ? ? CB P THR 279 ? ? 122.65 110.30 12.35 1.90 N 49 1 CB P ASP 281 ? ? CG P ASP 281 ? ? OD1 P ASP 281 ? ? 124.96 118.30 6.66 0.90 N 50 1 CB P ASP 281 ? ? CG P ASP 281 ? ? OD2 P ASP 281 ? ? 112.54 118.30 -5.76 0.90 N 51 1 N P MET 287 ? ? CA P MET 287 ? ? CB P MET 287 ? ? 97.74 110.60 -12.86 1.80 N 52 1 NH1 P ARG 288 ? ? CZ P ARG 288 ? ? NH2 P ARG 288 ? ? 111.22 119.40 -8.18 1.10 N 53 1 NE P ARG 288 ? ? CZ P ARG 288 ? ? NH2 P ARG 288 ? ? 129.96 120.30 9.66 0.50 N 54 1 NH1 P ARG 291 ? ? CZ P ARG 291 ? ? NH2 P ARG 291 ? ? 127.93 119.40 8.53 1.10 N 55 1 NE P ARG 291 ? ? CZ P ARG 291 ? ? NH1 P ARG 291 ? ? 125.50 120.30 5.20 0.50 N 56 1 NE P ARG 291 ? ? CZ P ARG 291 ? ? NH2 P ARG 291 ? ? 106.57 120.30 -13.73 0.50 N 57 1 NH1 P ARG 299 ? ? CZ P ARG 299 ? ? NH2 P ARG 299 ? ? 128.23 119.40 8.83 1.10 N 58 1 NE P ARG 299 ? ? CZ P ARG 299 ? ? NH1 P ARG 299 ? ? 114.72 120.30 -5.58 0.50 N 59 1 NE P ARG 299 ? ? CZ P ARG 299 ? ? NH2 P ARG 299 ? ? 116.98 120.30 -3.32 0.50 N 60 1 OE1 P GLU 307 ? ? CD P GLU 307 ? ? OE2 P GLU 307 ? ? 130.83 123.30 7.53 1.20 N 61 1 CG P ARG 311 ? ? CD P ARG 311 ? ? NE P ARG 311 ? ? 127.08 111.80 15.28 2.10 N 62 1 CD P ARG 311 ? ? NE P ARG 311 ? ? CZ P ARG 311 ? ? 136.43 123.60 12.83 1.40 N 63 1 NE P ARG 311 ? ? CZ P ARG 311 ? ? NH1 P ARG 311 ? ? 116.49 120.30 -3.81 0.50 N 64 1 CB P ALA 314 ? ? CA P ALA 314 ? ? C P ALA 314 ? ? 122.93 110.10 12.83 1.50 N 65 1 CG1 P VAL 326 ? ? CB P VAL 326 ? ? CG2 P VAL 326 ? ? 99.30 110.90 -11.60 1.60 N 66 1 CB P THR 327 ? ? CA P THR 327 ? ? C P THR 327 ? ? 91.77 111.60 -19.83 2.70 N 67 1 OE1 P GLU 329 ? ? CD P GLU 329 ? ? OE2 P GLU 329 ? ? 134.34 123.30 11.04 1.20 N 68 1 CA P LEU 337 ? ? CB P LEU 337 ? ? CG P LEU 337 ? ? 135.27 115.30 19.97 2.30 N 69 1 O P ALA 344 ? ? C P ALA 344 ? ? N P GLY 345 ? ? 112.39 123.20 -10.81 1.70 Y 70 1 C P THR 352 ? ? N P LEU 353 ? ? CA P LEU 353 ? ? 138.25 121.70 16.55 2.50 Y 71 1 CB P ASP 354 ? ? CG P ASP 354 ? ? OD1 P ASP 354 ? ? 124.72 118.30 6.42 0.90 N 72 1 NE P ARG 370 ? ? CZ P ARG 370 ? ? NH2 P ARG 370 ? ? 115.75 120.30 -4.55 0.50 N 73 1 CA P TYR 376 ? ? CB P TYR 376 ? ? CG P TYR 376 ? ? 125.17 113.40 11.77 1.90 N 74 1 CB P TYR 376 ? ? CG P TYR 376 ? ? CD1 P TYR 376 ? ? 125.06 121.00 4.06 0.60 N 75 1 CG P TYR 376 ? ? CD1 P TYR 376 ? ? CE1 P TYR 376 ? ? 126.28 121.30 4.98 0.80 N 76 1 NE P ARG 384 ? ? CZ P ARG 384 ? ? NH1 P ARG 384 ? ? 123.32 120.30 3.02 0.50 N 77 1 NE P ARG 384 ? ? CZ P ARG 384 ? ? NH2 P ARG 384 ? ? 116.73 120.30 -3.57 0.50 N 78 1 NE P ARG 390 ? ? CZ P ARG 390 ? ? NH1 P ARG 390 ? ? 127.64 120.30 7.34 0.50 N 79 1 NE P ARG 390 ? ? CZ P ARG 390 ? ? NH2 P ARG 390 ? ? 113.56 120.30 -6.74 0.50 N 80 1 OG1 P THR 391 ? ? CB P THR 391 ? ? CG2 P THR 391 ? ? 89.68 110.00 -20.32 2.30 N 81 1 CA P THR 391 ? ? CB P THR 391 ? ? OG1 P THR 391 ? ? 94.91 109.00 -14.09 2.10 N 82 1 CB P ASP 411 ? ? CG P ASP 411 ? ? OD1 P ASP 411 ? ? 124.17 118.30 5.87 0.90 N 83 1 CB P ASP 411 ? ? CG P ASP 411 ? ? OD2 P ASP 411 ? ? 110.13 118.30 -8.17 0.90 N 84 1 OE1 P GLU 424 ? ? CD P GLU 424 ? ? OE2 P GLU 424 ? ? 115.91 123.30 -7.39 1.20 N 85 1 N P PRO 425 ? ? CA P PRO 425 ? ? CB P PRO 425 ? ? 111.16 102.60 8.56 1.10 N 86 1 CA P LEU 426 ? ? CB P LEU 426 ? ? CG P LEU 426 ? ? 136.05 115.30 20.75 2.30 N 87 1 O P TYR 429 ? ? C P TYR 429 ? ? N P ASP 430 ? ? 134.59 122.70 11.89 1.60 Y 88 1 CB P ASP 434 ? ? CG P ASP 434 ? ? OD1 P ASP 434 ? ? 124.87 118.30 6.57 0.90 N 89 1 CB P TYR 439 ? ? CG P TYR 439 ? ? CD2 P TYR 439 ? ? 128.74 121.00 7.74 0.60 N 90 1 CB P TYR 439 ? ? CG P TYR 439 ? ? CD1 P TYR 439 ? ? 115.46 121.00 -5.54 0.60 N 91 1 CA P GLY 443 ? ? C P GLY 443 ? ? O P GLY 443 ? ? 132.66 120.60 12.06 1.80 N 92 1 CB P ASP 467 ? ? CG P ASP 467 ? ? OD1 P ASP 467 ? ? 124.13 118.30 5.83 0.90 N 93 1 NE P ARG 479 ? ? CZ P ARG 479 ? ? NH1 P ARG 479 ? ? 125.07 120.30 4.77 0.50 N 94 1 NE P ARG 479 ? ? CZ P ARG 479 ? ? NH2 P ARG 479 ? ? 114.19 120.30 -6.11 0.50 N 95 1 OE1 P GLU 481 ? ? CD P GLU 481 ? ? OE2 P GLU 481 ? ? 131.93 123.30 8.63 1.20 N 96 1 CA P CYS 489 ? ? CB P CYS 489 ? ? SG P CYS 489 ? ? 99.18 114.00 -14.82 1.80 N 97 1 C P CYS 489 ? ? N P HIS 490 ? ? CA P HIS 490 ? ? 144.40 121.70 22.70 2.50 Y 98 1 N P THR 494 ? ? CA P THR 494 ? ? CB P THR 494 ? ? 122.36 110.30 12.06 1.90 N 99 1 CA P THR 494 ? ? C P THR 494 ? ? O P THR 494 ? ? 105.11 120.10 -14.99 2.10 N 100 1 O P THR 494 ? ? C P THR 494 ? ? N P PRO 495 ? ? 134.66 121.10 13.56 1.90 Y 101 1 CD P ARG 496 ? ? NE P ARG 496 ? ? CZ P ARG 496 ? ? 139.65 123.60 16.05 1.40 N 102 1 NE P ARG 496 ? ? CZ P ARG 496 ? ? NH1 P ARG 496 ? ? 128.49 120.30 8.19 0.50 N 103 1 NE P ARG 496 ? ? CZ P ARG 496 ? ? NH2 P ARG 496 ? ? 115.63 120.30 -4.67 0.50 N 104 1 CA P PRO 497 ? ? N P PRO 497 ? ? CD P PRO 497 ? ? 102.56 111.50 -8.94 1.40 N 105 1 CA P CYS 502 ? ? CB P CYS 502 ? ? SG P CYS 502 ? ? 121.92 114.20 7.72 1.10 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 SER P 67 ? ? -98.26 46.40 2 1 HIS P 125 ? ? 39.51 38.11 3 1 VAL P 128 ? ? -125.44 -69.29 4 1 TYR P 149 ? ? -168.26 -169.58 5 1 ALA P 165 ? ? -152.17 34.93 6 1 CYS P 172 ? ? 41.75 -162.89 7 1 ASN P 184 ? ? 52.44 -121.19 8 1 ALA P 189 ? ? -179.50 149.54 9 1 GLN P 190 ? ? -167.11 98.57 10 1 ARG P 214 ? ? -24.91 -62.04 11 1 THR P 228 ? ? -108.01 47.19 12 1 LEU P 268 ? ? -66.99 7.60 13 1 MET P 289 ? ? 54.98 -124.82 14 1 CYS P 300 ? ? 68.75 -166.53 15 1 TRP P 318 ? ? -155.66 83.59 16 1 TYR P 379 ? ? -111.24 77.51 17 1 GLN P 401 ? ? -173.63 134.07 18 1 THR P 408 ? ? 83.05 -4.08 19 1 CYS P 493 ? ? -47.28 -178.12 20 1 HIS P 501 ? ? 166.72 161.46 21 1 CYS P 502 ? ? 160.60 80.94 # loop_ _pdbx_validate_main_chain_plane.id _pdbx_validate_main_chain_plane.PDB_model_num _pdbx_validate_main_chain_plane.auth_comp_id _pdbx_validate_main_chain_plane.auth_asym_id _pdbx_validate_main_chain_plane.auth_seq_id _pdbx_validate_main_chain_plane.PDB_ins_code _pdbx_validate_main_chain_plane.label_alt_id _pdbx_validate_main_chain_plane.improper_torsion_angle 1 1 PRO P 42 ? ? 11.28 2 1 PRO P 89 ? ? -12.12 3 1 VAL P 128 ? ? -10.79 4 1 SER P 150 ? ? -13.27 5 1 ALA P 256 ? ? -13.22 6 1 THR P 327 ? ? -12.05 7 1 PRO P 380 ? ? -11.45 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C1 ? P NAG 601 ? 'WRONG HAND' . 2 1 C1 ? P NAG 602 ? 'WRONG HAND' . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 P ARG 19 ? CG ? A ARG 1 CG 2 1 Y 1 P ARG 19 ? CD ? A ARG 1 CD 3 1 Y 1 P ARG 19 ? NE ? A ARG 1 NE 4 1 Y 1 P ARG 19 ? CZ ? A ARG 1 CZ 5 1 Y 1 P ARG 19 ? NH1 ? A ARG 1 NH1 6 1 Y 1 P ARG 19 ? NH2 ? A ARG 1 NH2 7 1 Y 1 P ARG 114 ? CD ? A ARG 96 CD 8 1 Y 1 P ARG 114 ? NE ? A ARG 96 NE 9 1 Y 1 P ARG 114 ? CZ ? A ARG 96 CZ 10 1 Y 1 P ARG 114 ? NH1 ? A ARG 96 NH1 11 1 Y 1 P ARG 114 ? NH2 ? A ARG 96 NH2 12 1 Y 1 P GLU 131 ? O ? A GLU 113 O 13 1 Y 1 P GLU 131 ? CG ? A GLU 113 CG 14 1 Y 1 P GLU 131 ? CD ? A GLU 113 CD 15 1 Y 1 P GLU 131 ? OE1 ? A GLU 113 OE1 16 1 Y 1 P GLU 131 ? OE2 ? A GLU 113 OE2 17 1 Y 1 P ARG 214 ? CB ? A ARG 196 CB 18 1 Y 1 P ARG 214 ? CG ? A ARG 196 CG 19 1 Y 1 P ARG 214 ? CD ? A ARG 196 CD 20 1 Y 1 P ARG 214 ? NE ? A ARG 196 NE 21 1 Y 1 P ARG 214 ? CZ ? A ARG 196 CZ 22 1 Y 1 P ARG 214 ? NH1 ? A ARG 196 NH1 23 1 Y 1 P ARG 214 ? NH2 ? A ARG 196 NH2 24 1 Y 1 P ASP 216 ? CB ? A ASP 198 CB 25 1 Y 1 P ASP 216 ? CG ? A ASP 198 CG 26 1 Y 1 P ASP 216 ? OD1 ? A ASP 198 OD1 27 1 Y 1 P ASP 216 ? OD2 ? A ASP 198 OD2 28 1 Y 1 P ARG 241 ? CG ? A ARG 223 CG 29 1 Y 1 P ARG 241 ? CD ? A ARG 223 CD 30 1 Y 1 P ARG 241 ? NE ? A ARG 223 NE 31 1 Y 1 P ARG 241 ? CZ ? A ARG 223 CZ 32 1 Y 1 P ARG 241 ? NH1 ? A ARG 223 NH1 33 1 Y 1 P ARG 241 ? NH2 ? A ARG 223 NH2 34 1 Y 1 P GLU 273 ? CG ? A GLU 255 CG 35 1 Y 1 P GLU 273 ? CD ? A GLU 255 CD 36 1 Y 1 P GLU 273 ? OE1 ? A GLU 255 OE1 37 1 Y 1 P GLU 273 ? OE2 ? A GLU 255 OE2 38 1 Y 1 P ASN 350 ? CB ? A ASN 332 CB 39 1 Y 1 P ASN 350 ? CG ? A ASN 332 CG 40 1 Y 1 P ASN 350 ? OD1 ? A ASN 332 OD1 41 1 Y 1 P ASN 350 ? ND2 ? A ASN 332 ND2 42 1 Y 1 P GLN 454 ? CG ? A GLN 436 CG 43 1 Y 1 P GLN 454 ? CD ? A GLN 436 CD 44 1 Y 1 P GLN 454 ? OE1 ? A GLN 436 OE1 45 1 Y 1 P GLN 454 ? NE2 ? A GLN 436 NE2 46 1 Y 1 P GLN 458 ? CG ? A GLN 440 CG 47 1 Y 1 P GLN 458 ? CD ? A GLN 440 CD 48 1 Y 1 P GLN 458 ? OE1 ? A GLN 440 OE1 49 1 Y 1 P GLN 458 ? NE2 ? A GLN 440 NE2 # 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 P GLY 444 ? A GLY 426 2 1 Y 1 P VAL 445 ? A VAL 427 3 1 Y 1 P ALA 446 ? A ALA 428 4 1 Y 1 P GLY 447 ? A GLY 429 5 1 Y 1 P ASP 504 ? A ASP 486 6 1 Y 1 P PRO 505 ? A PRO 487 7 1 Y 1 P HIS 506 ? A HIS 488 8 1 Y 1 P ALA 507 ? A ALA 489 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'MAGNESIUM ION' MG 4 water HOH #