data_1GAI # _entry.id 1GAI # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1GAI WWPDB D_1000173479 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1GAI _pdbx_database_status.recvd_initial_deposition_date 1996-03-06 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site ? _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Aleshin, A.E.' 1 'Stoffer, B.' 2 'Firsov, L.M.' 3 'Svensson, B.' 4 'Honzatko, R.B.' 5 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary ;Crystallographic complexes of glucoamylase with maltooligosaccharide analogs: relationship of stereochemical distortions at the nonreducing end to the catalytic mechanism. ; Biochemistry 35 8319 8328 1996 BICHAW US 0006-2960 0033 ? 8679589 10.1021/bi960321g 1 ;Refined Structure for the Complex of D-Gluco-Dihydroacarbose with Glucoamylase from Aspergillus Awamori Var. X100 to 2.2 A Resolution: Dual Conformations for Extended Inhibitors Bound to the Active Site of Glucoamylase ; 'FEBS Lett.' 358 57 ? 1995 FEBLAL NE 0014-5793 0165 ? ? ? 2 'Refined Crystal Structures of Glucoamylase from Aspergillus Awamori Var. X100' J.Mol.Biol. 238 575 ? 1994 JMOBAK UK 0022-2836 0070 ? ? ? 3 'Refined Structure for the Complex of Acarbose with Glucoamylase from Aspergillus Awamori Var. X100 to 2.4-A Resolution' J.Biol.Chem. 269 15631 ? 1994 JBCHA3 US 0021-9258 0071 ? ? ? 4 'Refined Structure for the Complex of 1-Deoxynojirimycin with Glucoamylase from Aspergillus Awamori Var. X100 to 2.4-A Resolution' Biochemistry 32 1618 ? 1993 BICHAW US 0006-2960 0033 ? ? ? 5 'Crystal Structure of Glucoamylase from Aspergillus Awamori Var. X100 to 2.2-A Resolution' J.Biol.Chem. 267 19291 ? 1992 JBCHA3 US 0021-9258 0071 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Aleshin, A.E.' 1 primary 'Stoffer, B.' 2 primary 'Firsov, L.M.' 3 primary 'Svensson, B.' 4 primary 'Honzatko, R.B.' 5 1 'Stoffer, B.' 6 1 'Aleshin, A.E.' 7 1 'Firsov, L.M.' 8 1 'Svensson, B.' 9 1 'Honzatko, R.B.' 10 2 'Aleshin, A.E.' 11 2 'Hoffman, C.' 12 2 'Firsov, L.M.' 13 2 'Honzatko, R.B.' 14 3 'Aleshin, A.E.' 15 3 'Firsov, L.M.' 16 3 'Honzatko, R.B.' 17 4 'Harris, E.M.' 18 4 'Aleshin, A.E.' 19 4 'Firsov, L.M.' 20 4 'Honzatko, R.B.' 21 5 'Aleshin, A.' 22 5 'Golubev, A.' 23 5 'Firsov, L.M.' 24 5 'Honzatko, R.B.' 25 # _cell.entry_id 1GAI _cell.length_a 116.900 _cell.length_b 104.400 _cell.length_c 48.400 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1GAI _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat GLUCOAMYLASE-471 50608.883 1 3.2.1.3 ? 'RESIDUES 1-471' 'COMPLEXED WITH D-GLUCO-DIHYDROACARBOSE' 2 non-polymer man ALPHA-D-MANNOSE 180.156 18 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer man DIHYDRO-ACARBOSE 647.621 1 ? ? ? ? 6 water nat water 18.015 551 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'GLUCOAMYLASE-II, GLUCAN 1,4-ALPHA-GLUCOSIDASE' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;ATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDSGLVIKTLVDLFRNGDTDLLSTIEH YISSQAIIQGVSNPSGDLSSGGLGEPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTSAATEIVWPLVRN DLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQAPQILCYLQSFWTGSYILANFDSSR SGKDTNTLLGSIHTFDPEAGCDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEAVAVGRYPEDSYYNGNPWFLCT LAAAEQLYDALYQWDKQGSLEITDVSLDFFKALYSGAATGTYSSSSSTYSSIVSAVKTFADGFVSIVETHAASNGSLSEQ FDKSDGDELSARDLTWSYAALLTANNRRNSVVPPSWGETSASSVPGTCAATSASGTYSSVTVTSWPSIVATG ; _entity_poly.pdbx_seq_one_letter_code_can ;ATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDSGLVIKTLVDLFRNGDTDLLSTIEH YISSQAIIQGVSNPSGDLSSGGLGEPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTSAATEIVWPLVRN DLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQAPQILCYLQSFWTGSYILANFDSSR SGKDTNTLLGSIHTFDPEAGCDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEAVAVGRYPEDSYYNGNPWFLCT LAAAEQLYDALYQWDKQGSLEITDVSLDFFKALYSGAATGTYSSSSSTYSSIVSAVKTFADGFVSIVETHAASNGSLSEQ FDKSDGDELSARDLTWSYAALLTANNRRNSVVPPSWGETSASSVPGTCAATSASGTYSSVTVTSWPSIVATG ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA n 1 2 THR n 1 3 LEU n 1 4 ASP n 1 5 SER n 1 6 TRP n 1 7 LEU n 1 8 SER n 1 9 ASN n 1 10 GLU n 1 11 ALA n 1 12 THR n 1 13 VAL n 1 14 ALA n 1 15 ARG n 1 16 THR n 1 17 ALA n 1 18 ILE n 1 19 LEU n 1 20 ASN n 1 21 ASN n 1 22 ILE n 1 23 GLY n 1 24 ALA n 1 25 ASP n 1 26 GLY n 1 27 ALA n 1 28 TRP n 1 29 VAL n 1 30 SER n 1 31 GLY n 1 32 ALA n 1 33 ASP n 1 34 SER n 1 35 GLY n 1 36 ILE n 1 37 VAL n 1 38 VAL n 1 39 ALA n 1 40 SER n 1 41 PRO n 1 42 SER n 1 43 THR n 1 44 ASP n 1 45 ASN n 1 46 PRO n 1 47 ASP n 1 48 TYR n 1 49 PHE n 1 50 TYR n 1 51 THR n 1 52 TRP n 1 53 THR n 1 54 ARG n 1 55 ASP n 1 56 SER n 1 57 GLY n 1 58 LEU n 1 59 VAL n 1 60 ILE n 1 61 LYS n 1 62 THR n 1 63 LEU n 1 64 VAL n 1 65 ASP n 1 66 LEU n 1 67 PHE n 1 68 ARG n 1 69 ASN n 1 70 GLY n 1 71 ASP n 1 72 THR n 1 73 ASP n 1 74 LEU n 1 75 LEU n 1 76 SER n 1 77 THR n 1 78 ILE n 1 79 GLU n 1 80 HIS n 1 81 TYR n 1 82 ILE n 1 83 SER n 1 84 SER n 1 85 GLN n 1 86 ALA n 1 87 ILE n 1 88 ILE n 1 89 GLN n 1 90 GLY n 1 91 VAL n 1 92 SER n 1 93 ASN n 1 94 PRO n 1 95 SER n 1 96 GLY n 1 97 ASP n 1 98 LEU n 1 99 SER n 1 100 SER n 1 101 GLY n 1 102 GLY n 1 103 LEU n 1 104 GLY n 1 105 GLU n 1 106 PRO n 1 107 LYS n 1 108 PHE n 1 109 ASN n 1 110 VAL n 1 111 ASP n 1 112 GLU n 1 113 THR n 1 114 ALA n 1 115 TYR n 1 116 THR n 1 117 GLY n 1 118 SER n 1 119 TRP n 1 120 GLY n 1 121 ARG n 1 122 PRO n 1 123 GLN n 1 124 ARG n 1 125 ASP n 1 126 GLY n 1 127 PRO n 1 128 ALA n 1 129 LEU n 1 130 ARG n 1 131 ALA n 1 132 THR n 1 133 ALA n 1 134 MET n 1 135 ILE n 1 136 GLY n 1 137 PHE n 1 138 GLY n 1 139 GLN n 1 140 TRP n 1 141 LEU n 1 142 LEU n 1 143 ASP n 1 144 ASN n 1 145 GLY n 1 146 TYR n 1 147 THR n 1 148 SER n 1 149 ALA n 1 150 ALA n 1 151 THR n 1 152 GLU n 1 153 ILE n 1 154 VAL n 1 155 TRP n 1 156 PRO n 1 157 LEU n 1 158 VAL n 1 159 ARG n 1 160 ASN n 1 161 ASP n 1 162 LEU n 1 163 SER n 1 164 TYR n 1 165 VAL n 1 166 ALA n 1 167 GLN n 1 168 TYR n 1 169 TRP n 1 170 ASN n 1 171 GLN n 1 172 THR n 1 173 GLY n 1 174 TYR n 1 175 ASP n 1 176 LEU n 1 177 TRP n 1 178 GLU n 1 179 GLU n 1 180 VAL n 1 181 ASN n 1 182 GLY n 1 183 SER n 1 184 SER n 1 185 PHE n 1 186 PHE n 1 187 THR n 1 188 ILE n 1 189 ALA n 1 190 VAL n 1 191 GLN n 1 192 HIS n 1 193 ARG n 1 194 ALA n 1 195 LEU n 1 196 VAL n 1 197 GLU n 1 198 GLY n 1 199 SER n 1 200 ALA n 1 201 PHE n 1 202 ALA n 1 203 THR n 1 204 ALA n 1 205 VAL n 1 206 GLY n 1 207 SER n 1 208 SER n 1 209 CYS n 1 210 SER n 1 211 TRP n 1 212 CYS n 1 213 ASP n 1 214 SER n 1 215 GLN n 1 216 ALA n 1 217 PRO n 1 218 GLN n 1 219 ILE n 1 220 LEU n 1 221 CYS n 1 222 TYR n 1 223 LEU n 1 224 GLN n 1 225 SER n 1 226 PHE n 1 227 TRP n 1 228 THR n 1 229 GLY n 1 230 SER n 1 231 TYR n 1 232 ILE n 1 233 LEU n 1 234 ALA n 1 235 ASN n 1 236 PHE n 1 237 ASP n 1 238 SER n 1 239 SER n 1 240 ARG n 1 241 SER n 1 242 GLY n 1 243 LYS n 1 244 ASP n 1 245 THR n 1 246 ASN n 1 247 THR n 1 248 LEU n 1 249 LEU n 1 250 GLY n 1 251 SER n 1 252 ILE n 1 253 HIS n 1 254 THR n 1 255 PHE n 1 256 ASP n 1 257 PRO n 1 258 GLU n 1 259 ALA n 1 260 GLY n 1 261 CYS n 1 262 ASP n 1 263 ASP n 1 264 SER n 1 265 THR n 1 266 PHE n 1 267 GLN n 1 268 PRO n 1 269 CYS n 1 270 SER n 1 271 PRO n 1 272 ARG n 1 273 ALA n 1 274 LEU n 1 275 ALA n 1 276 ASN n 1 277 HIS n 1 278 LYS n 1 279 GLU n 1 280 VAL n 1 281 VAL n 1 282 ASP n 1 283 SER n 1 284 PHE n 1 285 ARG n 1 286 SER n 1 287 ILE n 1 288 TYR n 1 289 THR n 1 290 LEU n 1 291 ASN n 1 292 ASP n 1 293 GLY n 1 294 LEU n 1 295 SER n 1 296 ASP n 1 297 SER n 1 298 GLU n 1 299 ALA n 1 300 VAL n 1 301 ALA n 1 302 VAL n 1 303 GLY n 1 304 ARG n 1 305 TYR n 1 306 PRO n 1 307 GLU n 1 308 ASP n 1 309 SER n 1 310 TYR n 1 311 TYR n 1 312 ASN n 1 313 GLY n 1 314 ASN n 1 315 PRO n 1 316 TRP n 1 317 PHE n 1 318 LEU n 1 319 CYS n 1 320 THR n 1 321 LEU n 1 322 ALA n 1 323 ALA n 1 324 ALA n 1 325 GLU n 1 326 GLN n 1 327 LEU n 1 328 TYR n 1 329 ASP n 1 330 ALA n 1 331 LEU n 1 332 TYR n 1 333 GLN n 1 334 TRP n 1 335 ASP n 1 336 LYS n 1 337 GLN n 1 338 GLY n 1 339 SER n 1 340 LEU n 1 341 GLU n 1 342 ILE n 1 343 THR n 1 344 ASP n 1 345 VAL n 1 346 SER n 1 347 LEU n 1 348 ASP n 1 349 PHE n 1 350 PHE n 1 351 LYS n 1 352 ALA n 1 353 LEU n 1 354 TYR n 1 355 SER n 1 356 GLY n 1 357 ALA n 1 358 ALA n 1 359 THR n 1 360 GLY n 1 361 THR n 1 362 TYR n 1 363 SER n 1 364 SER n 1 365 SER n 1 366 SER n 1 367 SER n 1 368 THR n 1 369 TYR n 1 370 SER n 1 371 SER n 1 372 ILE n 1 373 VAL n 1 374 SER n 1 375 ALA n 1 376 VAL n 1 377 LYS n 1 378 THR n 1 379 PHE n 1 380 ALA n 1 381 ASP n 1 382 GLY n 1 383 PHE n 1 384 VAL n 1 385 SER n 1 386 ILE n 1 387 VAL n 1 388 GLU n 1 389 THR n 1 390 HIS n 1 391 ALA n 1 392 ALA n 1 393 SER n 1 394 ASN n 1 395 GLY n 1 396 SER n 1 397 LEU n 1 398 SER n 1 399 GLU n 1 400 GLN n 1 401 PHE n 1 402 ASP n 1 403 LYS n 1 404 SER n 1 405 ASP n 1 406 GLY n 1 407 ASP n 1 408 GLU n 1 409 LEU n 1 410 SER n 1 411 ALA n 1 412 ARG n 1 413 ASP n 1 414 LEU n 1 415 THR n 1 416 TRP n 1 417 SER n 1 418 TYR n 1 419 ALA n 1 420 ALA n 1 421 LEU n 1 422 LEU n 1 423 THR n 1 424 ALA n 1 425 ASN n 1 426 ASN n 1 427 ARG n 1 428 ARG n 1 429 ASN n 1 430 SER n 1 431 VAL n 1 432 VAL n 1 433 PRO n 1 434 PRO n 1 435 SER n 1 436 TRP n 1 437 GLY n 1 438 GLU n 1 439 THR n 1 440 SER n 1 441 ALA n 1 442 SER n 1 443 SER n 1 444 VAL n 1 445 PRO n 1 446 GLY n 1 447 THR n 1 448 CYS n 1 449 ALA n 1 450 ALA n 1 451 THR n 1 452 SER n 1 453 ALA n 1 454 SER n 1 455 GLY n 1 456 THR n 1 457 TYR n 1 458 SER n 1 459 SER n 1 460 VAL n 1 461 THR n 1 462 VAL n 1 463 THR n 1 464 SER n 1 465 TRP n 1 466 PRO n 1 467 SER n 1 468 ILE n 1 469 VAL n 1 470 ALA n 1 471 THR n 1 472 GLY n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Aspergillus awamori' _entity_src_nat.pdbx_ncbi_taxonomy_id 105351 _entity_src_nat.genus Aspergillus _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant X100 _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code AMYG_ASPSH _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P22832 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ;MSFRSLLALSGLVCSGLASVISKRATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDS GIVLKTLVDLFRNGDTDLLSTIEHYISSQAIIQGVSNPSGDLSSGGLGEPKFNVDETAYAGSWGRPQRDGPALRATAMIG FGQWLLDNGYTSAATEIVWPLVRNDLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQA PQILCYLQSFWTGSYILANFDSSRSGKDTNTLLGSIHTFDPEAGCDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSD SEAVAVGRYPEDSYYNGNPWFLCTLAAAEQLYDALYQWDKQGSLEITDVSLDFFKALYSGAATGTYSSSSSTYSSIVSAV KTFADGFVSIVETHAASNGSLSEQFDKSDGDELSARDLTWSYAALLTANNRRNSVVPPSWGETSASSVPGTCAATSASGT YSSVTVTSWPSIVATGGTTTTATTTGSGGVTSTSKTTTTASKTSTTTSSTSCTTPTAVAVTFDLTATTTYGENIYLVGSI SQLGDWETSDGIALSADKYTSSNPPWYVTVTLPAGESFEYKFIRVESDDSVEWESDPNREYTVPQACGESTATVTDTWR ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1GAI _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 472 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P22832 _struct_ref_seq.db_align_beg 25 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 496 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 473 # 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 1GAI LEU A 58 ? UNP P22832 ILE 82 CONFLICT 58 1 1 1GAI ILE A 60 ? UNP P22832 LEU 84 CONFLICT 60 2 1 1GAI THR A 116 ? UNP P22832 ALA 140 CONFLICT 117 3 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GAC saccharide . DIHYDRO-ACARBOSE ? 'C25 H45 N O18' 647.621 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 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 1GAI _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.80 _exptl_crystal.density_percent_sol 56.10 _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 4. _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details 'pH 4.' # _diffrn.id 1 _diffrn.ambient_temp 293 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'AREA DETECTOR' _diffrn_detector.type SIEMENS _diffrn_detector.pdbx_collection_date 1993-10-20 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'GRAPHITE(002)' _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type SIEMENS _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength 1.5418 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 1GAI _reflns.observed_criterion_sigma_I 4. _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.0 _reflns.d_resolution_high 1.69 _reflns.number_obs 64147 _reflns.number_all ? _reflns.percent_possible_obs 96.0 _reflns.pdbx_Rmerge_I_obs 0.055 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 36.16 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 4.66 _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.69 _reflns_shell.d_res_low 1.80 _reflns_shell.percent_possible_all 75.5 _reflns_shell.Rmerge_I_obs 0.257 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 3.3 _reflns_shell.pdbx_redundancy 1.9 _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1GAI _refine.ls_number_reflns_obs 61302 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 10.0 _refine.ls_d_res_high 1.7 _refine.ls_percent_reflns_obs 93.4 _refine.ls_R_factor_obs 0.147 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.147 _refine.ls_R_factor_R_free 0.167 _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 ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean 14.7 _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_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 'NATIVE GLOCOAMYLASE' _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 ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_overall_phase_error ? _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_analyze.entry_id 1GAI _refine_analyze.Luzzati_coordinate_error_obs 0.15 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3573 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 320 _refine_hist.number_atoms_solvent 551 _refine_hist.number_atoms_total 4444 _refine_hist.d_res_high 1.7 _refine_hist.d_res_low 10.0 # 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 x_bond_d 0.008 ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg 1.33 ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d 21.6 ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d 1.24 ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? # loop_ _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file _pdbx_xplor_file.pdbx_refine_id 1 PARH3.CHO TOPH3.CHO 'X-RAY DIFFRACTION' 2 GLUCOACR_SUGARS_XPLOR.PAR GLUCOACR_SUGARS_XPLOR.TOP 'X-RAY DIFFRACTION' 3 GLUCOACR_VLN.PAR ? 'X-RAY DIFFRACTION' # _struct.entry_id 1GAI _struct.title 'GLUCOAMYLASE-471 COMPLEXED WITH D-GLUCO-DIHYDROACARBOSE' _struct.pdbx_descriptor GLUCOAMYLASE-471 _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1GAI _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, GLYCOSIDASE, POLYSACCHARIDE DEGRADATION, GLYCOPROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? I N N 2 ? J N N 2 ? K N N 2 ? L N N 3 ? M N N 3 ? N N N 4 ? O N N 2 ? P N N 2 ? Q N N 3 ? R N N 3 ? S N N 4 ? T N N 2 ? U N N 2 ? V N N 2 ? W N N 2 ? X N N 2 ? Y N N 2 ? Z N N 5 ? AA N N 6 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 THR A 2 ? ASN A 21 ? THR A 2 ASN A 21 1 ? 20 HELX_P HELX_P2 2 THR A 53 ? ARG A 68 ? THR A 53 ARG A 68 1 ? 16 HELX_P HELX_P3 3 THR A 72 ? GLY A 90 ? THR A 72 GLY A 90 5 ? 19 HELX_P HELX_P4 4 GLY A 102 ? GLY A 104 ? GLY A 103 GLY A 105 5 ? 3 HELX_P HELX_P5 5 ASP A 125 ? ASP A 143 ? ASP A 126 ASP A 144 1 ? 19 HELX_P HELX_P6 6 THR A 147 ? GLU A 152 ? THR A 148 GLU A 153 1 ? 6 HELX_P HELX_P7 7 VAL A 154 ? TYR A 168 ? VAL A 155 TYR A 169 1 ? 15 HELX_P HELX_P8 8 PHE A 185 ? ALA A 204 ? PHE A 186 ALA A 205 1 ? 20 HELX_P HELX_P9 9 SER A 210 ? PHE A 226 ? SER A 211 PHE A 227 1 ? 17 HELX_P HELX_P10 10 ASN A 246 ? THR A 254 ? ASN A 247 THR A 255 1 ? 9 HELX_P HELX_P11 11 PRO A 271 ? PHE A 284 ? PRO A 272 PHE A 285 1 ? 14 HELX_P HELX_P12 12 THR A 289 ? ASN A 291 ? THR A 290 ASN A 292 5 ? 3 HELX_P HELX_P13 13 TYR A 310 ? ASN A 312 ? TYR A 311 ASN A 313 5 ? 3 HELX_P HELX_P14 14 PHE A 317 ? GLN A 337 ? PHE A 318 GLN A 338 1 ? 21 HELX_P HELX_P15 15 LEU A 347 ? LEU A 353 ? LEU A 348 LEU A 354 1 ? 7 HELX_P HELX_P16 16 SER A 367 ? HIS A 390 ? SER A 368 HIS A 391 1 ? 24 HELX_P HELX_P17 17 THR A 415 ? ARG A 428 ? THR A 416 ARG A 429 1 ? 14 HELX_P HELX_P18 18 GLU A 438 ? SER A 440 ? GLU A 439 SER A 441 5 ? 3 # _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 209 SG ? ? ? 1_555 A CYS 212 SG ? ? A CYS 210 A CYS 213 1_555 ? ? ? ? ? ? ? 2.030 ? disulf2 disulf ? ? A CYS 221 SG ? ? ? 1_555 A CYS 448 SG ? ? A CYS 222 A CYS 449 1_555 ? ? ? ? ? ? ? 2.018 ? disulf3 disulf ? ? A CYS 261 SG ? ? ? 1_555 A CYS 269 SG ? ? A CYS 262 A CYS 270 1_555 ? ? ? ? ? ? ? 2.040 ? covale1 covale ? ? A ASN 170 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 171 A NAG 484 1_555 ? ? ? ? ? ? ? 1.455 ? covale2 covale ? ? A ASN 394 ND2 ? ? ? 1_555 Q NAG . C1 ? ? A ASN 395 A NAG 489 1_555 ? ? ? ? ? ? ? 1.445 ? covale3 covale ? ? A SER 442 OG ? ? ? 1_555 D MAN . C1 ? ? A SER 443 A MAN 476 1_555 ? ? ? ? ? ? ? 1.398 ? covale4 covale ? ? A SER 443 OG ? ? ? 1_555 E MAN . C1 ? ? A SER 444 A MAN 477 1_555 ? ? ? ? ? ? ? 1.397 ? covale5 covale ? ? A SER 452 OG ? ? ? 1_555 F MAN . C1 ? ? A SER 453 A MAN 478 1_555 ? ? ? ? ? ? ? 1.396 ? covale6 covale ? ? A THR 456 OG1 ? ? ? 1_555 G MAN . C1 ? ? A THR 457 A MAN 479 1_555 ? ? ? ? ? ? ? 1.397 ? covale7 covale ? ? A SER 458 OG ? ? ? 1_555 H MAN . C1 ? ? A SER 459 A MAN 480 1_555 ? ? ? ? ? ? ? 1.400 ? covale8 covale ? ? A SER 459 OG ? ? ? 1_555 I MAN . C1 ? ? A SER 460 A MAN 481 1_555 ? ? ? ? ? ? ? 1.395 ? covale9 covale ? ? A THR 461 OG1 ? ? ? 1_555 J MAN . C1 ? ? A THR 462 A MAN 482 1_555 ? ? ? ? ? ? ? 1.396 ? covale10 covale ? ? A THR 463 OG1 ? ? ? 1_555 K MAN . C1 ? ? A THR 464 A MAN 483 1_555 ? ? ? ? ? ? ? 1.408 ? covale11 covale ? ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? A NAG 484 A NAG 485 1_555 ? ? ? ? ? ? ? 1.387 ? covale12 covale ? ? M NAG . O4 ? ? ? 1_555 N BMA . C1 ? ? A NAG 485 A BMA 486 1_555 ? ? ? ? ? ? ? 1.386 ? covale13 covale ? ? N BMA . O3 ? ? ? 1_555 O MAN . C1 ? ? A BMA 486 A MAN 487 1_555 ? ? ? ? ? ? ? 1.408 ? covale14 covale ? ? O MAN . O2 ? ? ? 1_555 P MAN . C1 ? ? A MAN 487 A MAN 488 1_555 ? ? ? ? ? ? ? 1.402 ? covale15 covale ? ? Q NAG . O4 ? ? ? 1_555 R NAG . C1 ? ? A NAG 489 A NAG 490 1_555 ? ? ? ? ? ? ? 1.380 ? covale16 covale ? ? R NAG . O4 ? ? ? 1_555 S BMA . C1 ? ? A NAG 490 A BMA 491 1_555 ? ? ? ? ? ? ? 1.378 ? covale17 covale ? ? S BMA . O3 ? ? ? 1_555 T MAN . C1 ? ? A BMA 491 A MAN 492 1_555 ? ? ? ? ? ? ? 1.393 ? covale18 covale ? ? S BMA . O6 ? ? ? 1_555 U MAN . C1 ? ? A BMA 491 A MAN 493 1_555 ? ? ? ? ? ? ? 1.395 ? covale19 covale ? ? T MAN . O2 ? ? ? 1_555 W MAN . C1 ? ? A MAN 492 A MAN 495 1_555 ? ? ? ? ? ? ? 1.407 ? covale20 covale ? ? U MAN . O3 ? ? ? 1_555 V MAN . C1 ? ? A MAN 493 A MAN 494 1_555 ? ? ? ? ? ? ? 1.395 ? covale21 covale ? ? U MAN . O6 ? ? ? 1_555 Y MAN . C1 ? ? A MAN 493 A MAN 497 1_555 ? ? ? ? ? ? ? 1.405 ? covale22 covale ? ? W MAN . O2 ? ? ? 1_555 X MAN . C1 ? ? A MAN 495 A MAN 496 1_555 ? ? ? ? ? ? ? 1.397 ? covale23 covale ? ? A THR 451 OG1 A ? ? 1_555 B MAN . C1 A ? A THR 452 A MAN 474 1_555 ? ? ? ? ? ? ? 1.400 ? covale24 covale ? ? A THR 451 OG1 B ? ? 1_555 B MAN . C1 B ? A THR 452 A MAN 474 1_555 ? ? ? ? ? ? ? 1.404 ? covale25 covale ? ? A SER 454 OG A ? ? 1_555 C MAN . C1 A ? A SER 455 A MAN 475 1_555 ? ? ? ? ? ? ? 1.396 ? covale26 covale ? ? A SER 454 OG B ? ? 1_555 C MAN . C1 B ? A SER 455 A MAN 475 1_555 ? ? ? ? ? ? ? 1.391 ? covale27 covale ? ? A THR 451 C A ? ? 1_555 A SER 452 N ? ? A THR 452 A SER 453 1_555 ? ? ? ? ? ? ? 1.331 ? covale28 covale ? ? A THR 451 C B ? ? 1_555 A SER 452 N ? ? A THR 452 A SER 453 1_555 ? ? ? ? ? ? ? 1.332 ? covale29 covale ? ? A SER 452 C ? ? ? 1_555 A ALA 453 N ? ? A SER 453 A ALA 454 1_555 ? ? ? ? ? ? ? 1.324 ? covale30 covale ? ? A ALA 453 C ? ? ? 1_555 A SER 454 N A ? A ALA 454 A SER 455 1_555 ? ? ? ? ? ? ? 1.327 ? covale31 covale ? ? A ALA 453 C ? ? ? 1_555 A SER 454 N B ? A ALA 454 A SER 455 1_555 ? ? ? ? ? ? ? 1.322 ? covale32 covale ? ? A SER 454 C A ? ? 1_555 A GLY 455 N ? ? A SER 455 A GLY 456 1_555 ? ? ? ? ? ? ? 1.329 ? covale33 covale ? ? A SER 454 C B ? ? 1_555 A GLY 455 N ? ? A SER 455 A GLY 456 1_555 ? ? ? ? ? ? ? 1.327 ? covale34 covale ? ? A GLY 455 C ? ? ? 1_555 A THR 456 N ? ? A GLY 456 A THR 457 1_555 ? ? ? ? ? ? ? 1.323 ? covale35 covale ? ? A THR 456 C ? ? ? 1_555 A TYR 457 N ? ? A THR 457 A TYR 458 1_555 ? ? ? ? ? ? ? 1.330 ? covale36 covale ? ? A TYR 457 C ? ? ? 1_555 A SER 458 N ? ? A TYR 458 A SER 459 1_555 ? ? ? ? ? ? ? 1.324 ? covale37 covale ? ? A SER 458 C ? ? ? 1_555 A SER 459 N ? ? A SER 459 A SER 460 1_555 ? ? ? ? ? ? ? 1.327 ? covale38 covale ? ? A SER 459 C ? ? ? 1_555 A VAL 460 N ? ? A SER 460 A VAL 461 1_555 ? ? ? ? ? ? ? 1.326 ? covale39 covale ? ? A VAL 460 C ? ? ? 1_555 A THR 461 N ? ? A VAL 461 A THR 462 1_555 ? ? ? ? ? ? ? 1.326 ? covale40 covale ? ? A THR 461 C ? ? ? 1_555 A VAL 462 N ? ? A THR 462 A VAL 463 1_555 ? ? ? ? ? ? ? 1.324 ? covale41 covale ? ? A VAL 462 C ? ? ? 1_555 A THR 463 N ? ? A VAL 463 A THR 464 1_555 ? ? ? ? ? ? ? 1.332 ? covale42 covale ? ? A THR 463 C ? ? ? 1_555 A SER 464 N ? ? A THR 464 A SER 465 1_555 ? ? ? ? ? ? ? 1.331 ? covale43 covale ? ? A SER 464 C ? ? ? 1_555 A TRP 465 N ? ? A SER 465 A TRP 466 1_555 ? ? ? ? ? ? ? 1.329 ? covale44 covale ? ? A TRP 465 C ? ? ? 1_555 A PRO 466 N ? ? A TRP 466 A PRO 467 1_555 ? ? ? ? ? ? ? 1.343 ? covale45 covale ? ? A PRO 466 C ? ? ? 1_555 A SER 467 N ? ? A PRO 467 A SER 468 1_555 ? ? ? ? ? ? ? 1.326 ? covale46 covale ? ? A SER 467 C ? ? ? 1_555 A ILE 468 N ? ? A SER 468 A ILE 469 1_555 ? ? ? ? ? ? ? 1.323 ? covale47 covale ? ? A ILE 468 C ? ? ? 1_555 A VAL 469 N A ? A ILE 469 A VAL 470 1_555 ? ? ? ? ? ? ? 1.328 ? covale48 covale ? ? A ILE 468 C ? ? ? 1_555 A VAL 469 N B ? A ILE 469 A VAL 470 1_555 ? ? ? ? ? ? ? 1.326 ? covale49 covale ? ? A VAL 469 C A ? ? 1_555 A ALA 470 N A ? A VAL 470 A ALA 471 1_555 ? ? ? ? ? ? ? 1.327 ? covale50 covale ? ? A VAL 469 C B ? ? 1_555 A ALA 470 N B ? A VAL 470 A ALA 471 1_555 ? ? ? ? ? ? ? 1.327 ? covale51 covale ? ? A ALA 470 C A ? ? 1_555 A THR 471 N A ? A ALA 471 A THR 472 1_555 ? ? ? ? ? ? ? 1.330 ? covale52 covale ? ? A ALA 470 C B ? ? 1_555 A THR 471 N B ? A ALA 471 A THR 472 1_555 ? ? ? ? ? ? ? 1.328 ? covale53 covale ? ? A THR 471 C A ? ? 1_555 A GLY 472 N A ? A THR 472 A GLY 473 1_555 ? ? ? ? ? ? ? 1.331 ? covale54 covale ? ? A THR 471 C B ? ? 1_555 A GLY 472 N B ? A THR 472 A GLY 473 1_555 ? ? ? ? ? ? ? 1.331 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 GLY 23 A . ? GLY 23 A ALA 24 A ? ALA 24 A 1 0.90 2 ASN 45 A . ? ASN 45 A PRO 46 A ? PRO 46 A 1 0.07 3 ARG 121 A . ? ARG 122 A PRO 122 A ? PRO 123 A 1 0.20 # _struct_sheet.id A _struct_sheet.type ? _struct_sheet.number_strands 2 _struct_sheet.details ? # _struct_sheet_order.sheet_id A _struct_sheet_order.range_id_1 1 _struct_sheet_order.range_id_2 2 _struct_sheet_order.offset ? _struct_sheet_order.sense 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 339 ? ILE A 342 ? SER A 340 ILE A 343 A 2 GLY A 360 ? SER A 363 ? GLY A 361 SER A 364 # _pdbx_struct_sheet_hbond.sheet_id A _pdbx_struct_sheet_hbond.range_id_1 1 _pdbx_struct_sheet_hbond.range_id_2 2 _pdbx_struct_sheet_hbond.range_1_label_atom_id O _pdbx_struct_sheet_hbond.range_1_label_comp_id LEU _pdbx_struct_sheet_hbond.range_1_label_asym_id A _pdbx_struct_sheet_hbond.range_1_label_seq_id 340 _pdbx_struct_sheet_hbond.range_1_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_1_auth_atom_id O _pdbx_struct_sheet_hbond.range_1_auth_comp_id LEU _pdbx_struct_sheet_hbond.range_1_auth_asym_id A _pdbx_struct_sheet_hbond.range_1_auth_seq_id 341 _pdbx_struct_sheet_hbond.range_2_label_atom_id N _pdbx_struct_sheet_hbond.range_2_label_comp_id TYR _pdbx_struct_sheet_hbond.range_2_label_asym_id A _pdbx_struct_sheet_hbond.range_2_label_seq_id 362 _pdbx_struct_sheet_hbond.range_2_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_2_auth_atom_id N _pdbx_struct_sheet_hbond.range_2_auth_comp_id TYR _pdbx_struct_sheet_hbond.range_2_auth_asym_id A _pdbx_struct_sheet_hbond.range_2_auth_seq_id 363 # 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 SB1 Unknown ? ? ? ? 7 'BINDING SUBSITE FOR 1ST RESIDUE OF D-GLUCO-DIHYDROACARBOSE' SB2 Unknown ? ? ? ? 4 'BINDING SUBSITE FOR 2ND RESIDUE OF D-GLUCO-DIHYDROACARBOSE' SB3 Unknown ? ? ? ? 2 'BINDING SUBSITE FOR 3RD RESIDUE OF D-GLUCO-DIHYDROACARBOSE' AC1 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE MAN A 474' AC2 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE MAN A 475' AC3 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 476' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 477' AC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE MAN A 478' AC6 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE MAN A 479' AC7 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE MAN A 480' AC8 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 481' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 482' BC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 483' BC2 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 484' BC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 485' BC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE BMA A 486' BC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 487' BC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 488' BC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 489' BC8 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 490' BC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE BMA A 491' CC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 492' CC2 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE MAN A 493' CC3 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE MAN A 494' CC4 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE MAN A 495' CC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 496' CC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 497' CC7 Software ? ? ? ? 31 'BINDING SITE FOR RESIDUE GAC A 498' # 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 SB1 7 ARG A 54 ? ARG A 54 . ? 1_555 ? 2 SB1 7 ASP A 55 ? ASP A 55 . ? 1_555 ? 3 SB1 7 LEU A 176 ? LEU A 177 . ? 1_555 ? 4 SB1 7 GLU A 178 ? GLU A 179 . ? 1_555 ? 5 SB1 7 ARG A 304 ? ARG A 305 . ? 1_555 ? 6 SB1 7 GLU A 399 ? GLU A 400 . ? 1_555 ? 7 SB1 7 HOH AA . ? HOH A 500 . ? 1_555 ? 8 SB2 4 GLU A 179 ? GLU A 180 . ? 1_555 ? 9 SB2 4 TRP A 177 ? TRP A 178 . ? 1_555 ? 10 SB2 4 GLU A 178 ? GLU A 179 . ? 1_555 ? 11 SB2 4 ARG A 304 ? ARG A 305 . ? 1_555 ? 12 SB3 2 GLU A 178 ? GLU A 179 . ? 1_555 ? 13 SB3 2 GLY A 120 ? GLY A 121 . ? 1_555 ? 14 AC1 10 GLN A 218 ? GLN A 219 . ? 1_555 ? 15 AC1 10 ALA A 449 ? ALA A 450 . ? 1_555 ? 16 AC1 10 THR A 451 ? THR A 452 . ? 1_555 ? 17 AC1 10 SER A 452 ? SER A 453 . ? 1_555 ? 18 AC1 10 MAN F . ? MAN A 478 . ? 1_555 ? 19 AC1 10 HOH AA . ? HOH A 741 . ? 1_555 ? 20 AC1 10 HOH AA . ? HOH A 757 . ? 1_555 ? 21 AC1 10 HOH AA . ? HOH A 872 . ? 1_555 ? 22 AC1 10 HOH AA . ? HOH A 942 . ? 1_555 ? 23 AC1 10 HOH AA . ? HOH A 1047 . ? 1_555 ? 24 AC2 13 SER A 118 ? SER A 119 . ? 2_555 ? 25 AC2 13 TRP A 119 ? TRP A 120 . ? 2_555 ? 26 AC2 13 TYR A 174 ? TYR A 175 . ? 2_555 ? 27 AC2 13 SER A 454 ? SER A 455 . ? 1_555 ? 28 AC2 13 TYR A 457 ? TYR A 458 . ? 1_555 ? 29 AC2 13 GAC Z . ? GAC A 498 . ? 2_555 ? 30 AC2 13 HOH AA . ? HOH A 601 . ? 1_555 ? 31 AC2 13 HOH AA . ? HOH A 618 . ? 1_555 ? 32 AC2 13 HOH AA . ? HOH A 627 . ? 1_555 ? 33 AC2 13 HOH AA . ? HOH A 669 . ? 1_555 ? 34 AC2 13 HOH AA . ? HOH A 729 . ? 1_555 ? 35 AC2 13 HOH AA . ? HOH A 931 . ? 1_555 ? 36 AC2 13 HOH AA . ? HOH A 1044 . ? 2_555 ? 37 AC3 8 ASP A 262 ? ASP A 263 . ? 1_555 ? 38 AC3 8 GLU A 438 ? GLU A 439 . ? 1_555 ? 39 AC3 8 THR A 439 ? THR A 440 . ? 1_555 ? 40 AC3 8 SER A 440 ? SER A 441 . ? 1_555 ? 41 AC3 8 ALA A 441 ? ALA A 442 . ? 1_555 ? 42 AC3 8 SER A 442 ? SER A 443 . ? 1_555 ? 43 AC3 8 SER A 443 ? SER A 444 . ? 1_555 ? 44 AC3 8 HOH AA . ? HOH A 783 . ? 1_555 ? 45 AC4 6 SER A 443 ? SER A 444 . ? 1_555 ? 46 AC4 6 PRO A 445 ? PRO A 446 . ? 1_555 ? 47 AC4 6 HOH AA . ? HOH A 586 . ? 1_555 ? 48 AC4 6 HOH AA . ? HOH A 783 . ? 1_555 ? 49 AC4 6 HOH AA . ? HOH A 906 . ? 1_555 ? 50 AC4 6 HOH AA . ? HOH A 959 . ? 1_555 ? 51 AC5 7 SER A 118 ? SER A 119 . ? 2_555 ? 52 AC5 7 GLU A 152 ? GLU A 153 . ? 2_554 ? 53 AC5 7 SER A 452 ? SER A 453 . ? 1_555 ? 54 AC5 7 MAN B . ? MAN A 474 . ? 1_555 ? 55 AC5 7 HOH AA . ? HOH A 674 . ? 1_555 ? 56 AC5 7 HOH AA . ? HOH A 696 . ? 1_555 ? 57 AC5 7 HOH AA . ? HOH A 729 . ? 1_555 ? 58 AC6 10 ARG A 121 ? ARG A 122 . ? 2_555 ? 59 AC6 10 PRO A 122 ? PRO A 123 . ? 2_555 ? 60 AC6 10 ARG A 124 ? ARG A 125 . ? 2_555 ? 61 AC6 10 THR A 172 ? THR A 173 . ? 2_555 ? 62 AC6 10 GLY A 173 ? GLY A 174 . ? 2_555 ? 63 AC6 10 ASN A 181 ? ASN A 182 . ? 2_555 ? 64 AC6 10 THR A 456 ? THR A 457 . ? 1_555 ? 65 AC6 10 HOH AA . ? HOH A 564 . ? 1_555 ? 66 AC6 10 HOH AA . ? HOH A 621 . ? 1_555 ? 67 AC6 10 HOH AA . ? HOH A 702 . ? 2_555 ? 68 AC7 11 ARG A 159 ? ARG A 160 . ? 1_555 ? 69 AC7 11 GLN A 171 ? GLN A 172 . ? 2_555 ? 70 AC7 11 THR A 172 ? THR A 173 . ? 2_555 ? 71 AC7 11 SER A 458 ? SER A 459 . ? 1_555 ? 72 AC7 11 SER A 459 ? SER A 460 . ? 1_555 ? 73 AC7 11 HOH AA . ? HOH A 551 . ? 1_555 ? 74 AC7 11 HOH AA . ? HOH A 570 . ? 1_555 ? 75 AC7 11 HOH AA . ? HOH A 663 . ? 1_555 ? 76 AC7 11 HOH AA . ? HOH A 699 . ? 1_555 ? 77 AC7 11 HOH AA . ? HOH A 1027 . ? 1_555 ? 78 AC7 11 HOH AA . ? HOH A 1036 . ? 1_555 ? 79 AC8 8 ALA A 86 ? ALA A 86 . ? 1_555 ? 80 AC8 8 ILE A 87 ? ILE A 87 . ? 1_555 ? 81 AC8 8 GLY A 90 ? GLY A 90 . ? 1_555 ? 82 AC8 8 SER A 459 ? SER A 460 . ? 1_555 ? 83 AC8 8 VAL A 460 ? VAL A 461 . ? 1_555 ? 84 AC8 8 HOH AA . ? HOH A 598 . ? 1_555 ? 85 AC8 8 HOH AA . ? HOH A 907 . ? 1_555 ? 86 AC8 8 HOH AA . ? HOH A 962 . ? 1_555 ? 87 AC9 6 SER A 459 ? SER A 460 . ? 1_555 ? 88 AC9 6 THR A 461 ? THR A 462 . ? 1_555 ? 89 AC9 6 MAN K . ? MAN A 483 . ? 1_555 ? 90 AC9 6 HOH AA . ? HOH A 699 . ? 1_555 ? 91 AC9 6 HOH AA . ? HOH A 842 . ? 1_555 ? 92 AC9 6 HOH AA . ? HOH A 907 . ? 1_555 ? 93 BC1 3 THR A 461 ? THR A 462 . ? 1_555 ? 94 BC1 3 THR A 463 ? THR A 464 . ? 1_555 ? 95 BC1 3 MAN J . ? MAN A 482 . ? 1_555 ? 96 BC2 9 ASN A 170 ? ASN A 171 . ? 1_555 ? 97 BC2 9 TYR A 222 ? TYR A 223 . ? 1_555 ? 98 BC2 9 ALA A 450 ? ALA A 451 . ? 1_555 ? 99 BC2 9 NAG M . ? NAG A 485 . ? 1_555 ? 100 BC2 9 HOH AA . ? HOH A 542 . ? 1_555 ? 101 BC2 9 HOH AA . ? HOH A 545 . ? 1_555 ? 102 BC2 9 HOH AA . ? HOH A 580 . ? 1_555 ? 103 BC2 9 HOH AA . ? HOH A 651 . ? 1_555 ? 104 BC2 9 HOH AA . ? HOH A 659 . ? 1_555 ? 105 BC3 6 PHE A 236 ? PHE A 237 . ? 1_555 ? 106 BC3 6 CYS A 448 ? CYS A 449 . ? 1_555 ? 107 BC3 6 NAG L . ? NAG A 484 . ? 1_555 ? 108 BC3 6 BMA N . ? BMA A 486 . ? 1_555 ? 109 BC3 6 HOH AA . ? HOH A 659 . ? 1_555 ? 110 BC3 6 HOH AA . ? HOH A 1039 . ? 1_555 ? 111 BC4 3 NAG M . ? NAG A 485 . ? 1_555 ? 112 BC4 3 MAN O . ? MAN A 487 . ? 1_555 ? 113 BC4 3 HOH AA . ? HOH A 1007 . ? 1_555 ? 114 BC5 4 SER A 225 ? SER A 226 . ? 1_555 ? 115 BC5 4 PHE A 236 ? PHE A 237 . ? 1_555 ? 116 BC5 4 BMA N . ? BMA A 486 . ? 1_555 ? 117 BC5 4 MAN P . ? MAN A 488 . ? 1_555 ? 118 BC6 6 ASN A 235 ? ASN A 236 . ? 1_555 ? 119 BC6 6 PHE A 236 ? PHE A 237 . ? 1_555 ? 120 BC6 6 ASP A 237 ? ASP A 238 . ? 1_555 ? 121 BC6 6 SER A 238 ? SER A 239 . ? 1_555 ? 122 BC6 6 MAN O . ? MAN A 487 . ? 1_555 ? 123 BC6 6 HOH AA . ? HOH A 1039 . ? 1_555 ? 124 BC7 7 TRP A 28 ? TRP A 28 . ? 1_555 ? 125 BC7 7 ASN A 394 ? ASN A 395 . ? 1_555 ? 126 BC7 7 SER A 396 ? SER A 397 . ? 1_555 ? 127 BC7 7 ASP A 413 ? ASP A 414 . ? 1_555 ? 128 BC7 7 NAG R . ? NAG A 490 . ? 1_555 ? 129 BC7 7 HOH AA . ? HOH A 678 . ? 1_555 ? 130 BC7 7 HOH AA . ? HOH A 749 . ? 1_555 ? 131 BC8 9 ARG A 412 ? ARG A 413 . ? 1_555 ? 132 BC8 9 NAG Q . ? NAG A 489 . ? 1_555 ? 133 BC8 9 BMA S . ? BMA A 491 . ? 1_555 ? 134 BC8 9 MAN U . ? MAN A 493 . ? 1_555 ? 135 BC8 9 MAN V . ? MAN A 494 . ? 1_555 ? 136 BC8 9 HOH AA . ? HOH A 581 . ? 1_555 ? 137 BC8 9 HOH AA . ? HOH A 629 . ? 1_555 ? 138 BC8 9 HOH AA . ? HOH A 678 . ? 1_555 ? 139 BC8 9 HOH AA . ? HOH A 748 . ? 1_555 ? 140 BC9 6 ARG A 412 ? ARG A 413 . ? 1_555 ? 141 BC9 6 NAG R . ? NAG A 490 . ? 1_555 ? 142 BC9 6 MAN T . ? MAN A 492 . ? 1_555 ? 143 BC9 6 MAN U . ? MAN A 493 . ? 1_555 ? 144 BC9 6 HOH AA . ? HOH A 885 . ? 1_555 ? 145 BC9 6 HOH AA . ? HOH A 930 . ? 1_555 ? 146 CC1 4 BMA S . ? BMA A 491 . ? 1_555 ? 147 CC1 4 MAN W . ? MAN A 495 . ? 1_555 ? 148 CC1 4 HOH AA . ? HOH A 727 . ? 1_555 ? 149 CC1 4 HOH AA . ? HOH A 912 . ? 1_555 ? 150 CC2 7 NAG R . ? NAG A 490 . ? 1_555 ? 151 CC2 7 BMA S . ? BMA A 491 . ? 1_555 ? 152 CC2 7 MAN V . ? MAN A 494 . ? 1_555 ? 153 CC2 7 MAN Y . ? MAN A 497 . ? 1_555 ? 154 CC2 7 HOH AA . ? HOH A 791 . ? 1_555 ? 155 CC2 7 HOH AA . ? HOH A 951 . ? 1_555 ? 156 CC2 7 HOH AA . ? HOH A 990 . ? 1_555 ? 157 CC3 9 SER A 42 ? SER A 42 . ? 1_555 ? 158 CC3 9 ASN A 45 ? ASN A 45 . ? 1_555 ? 159 CC3 9 GLU A 408 ? GLU A 409 . ? 1_555 ? 160 CC3 9 SER A 410 ? SER A 411 . ? 1_555 ? 161 CC3 9 ARG A 412 ? ARG A 413 . ? 1_555 ? 162 CC3 9 NAG R . ? NAG A 490 . ? 1_555 ? 163 CC3 9 MAN U . ? MAN A 493 . ? 1_555 ? 164 CC3 9 HOH AA . ? HOH A 738 . ? 1_555 ? 165 CC3 9 HOH AA . ? HOH A 857 . ? 1_555 ? 166 CC4 11 VAL A 29 ? VAL A 29 . ? 1_555 ? 167 CC4 11 SER A 30 ? SER A 30 . ? 1_555 ? 168 CC4 11 PRO A 41 ? PRO A 41 . ? 1_555 ? 169 CC4 11 THR A 43 ? THR A 43 . ? 1_555 ? 170 CC4 11 MAN T . ? MAN A 492 . ? 1_555 ? 171 CC4 11 MAN X . ? MAN A 496 . ? 1_555 ? 172 CC4 11 HOH AA . ? HOH A 664 . ? 1_555 ? 173 CC4 11 HOH AA . ? HOH A 666 . ? 1_555 ? 174 CC4 11 HOH AA . ? HOH A 727 . ? 1_555 ? 175 CC4 11 HOH AA . ? HOH A 770 . ? 1_555 ? 176 CC4 11 HOH AA . ? HOH A 958 . ? 1_555 ? 177 CC5 3 THR A 43 ? THR A 43 . ? 1_555 ? 178 CC5 3 MAN W . ? MAN A 495 . ? 1_555 ? 179 CC5 3 HOH AA . ? HOH A 858 . ? 1_555 ? 180 CC6 1 MAN U . ? MAN A 493 . ? 1_555 ? 181 CC7 31 TYR A 48 ? TYR A 48 . ? 1_555 ? 182 CC7 31 TRP A 52 ? TRP A 52 . ? 1_555 ? 183 CC7 31 ARG A 54 ? ARG A 54 . ? 1_555 ? 184 CC7 31 ASP A 55 ? ASP A 55 . ? 1_555 ? 185 CC7 31 SER A 118 ? SER A 119 . ? 1_555 ? 186 CC7 31 TRP A 119 ? TRP A 120 . ? 1_555 ? 187 CC7 31 GLY A 120 ? GLY A 121 . ? 1_555 ? 188 CC7 31 THR A 147 ? THR A 148 . ? 1_554 ? 189 CC7 31 TYR A 174 ? TYR A 175 . ? 1_555 ? 190 CC7 31 LEU A 176 ? LEU A 177 . ? 1_555 ? 191 CC7 31 TRP A 177 ? TRP A 178 . ? 1_555 ? 192 CC7 31 GLU A 178 ? GLU A 179 . ? 1_555 ? 193 CC7 31 GLU A 179 ? GLU A 180 . ? 1_555 ? 194 CC7 31 ALA A 204 ? ALA A 205 . ? 1_554 ? 195 CC7 31 ARG A 304 ? ARG A 305 . ? 1_555 ? 196 CC7 31 TRP A 316 ? TRP A 317 . ? 1_555 ? 197 CC7 31 TRP A 416 ? TRP A 417 . ? 1_555 ? 198 CC7 31 MAN C . ? MAN A 475 . ? 2_554 ? 199 CC7 31 HOH AA . ? HOH A 500 . ? 1_555 ? 200 CC7 31 HOH AA . ? HOH A 729 . ? 2_554 ? 201 CC7 31 HOH AA . ? HOH A 778 . ? 1_555 ? 202 CC7 31 HOH AA . ? HOH A 871 . ? 1_554 ? 203 CC7 31 HOH AA . ? HOH A 890 . ? 1_555 ? 204 CC7 31 HOH AA . ? HOH A 929 . ? 1_555 ? 205 CC7 31 HOH AA . ? HOH A 931 . ? 2_554 ? 206 CC7 31 HOH AA . ? HOH A 938 . ? 1_554 ? 207 CC7 31 HOH AA . ? HOH A 953 . ? 1_554 ? 208 CC7 31 HOH AA . ? HOH A 961 . ? 1_555 ? 209 CC7 31 HOH AA . ? HOH A 980 . ? 1_554 ? 210 CC7 31 HOH AA . ? HOH A 1044 . ? 1_555 ? 211 CC7 31 HOH AA . ? HOH A 1046 . ? 1_555 ? # _database_PDB_matrix.entry_id 1GAI _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 1GAI _atom_sites.fract_transf_matrix[1][1] 0.008554 _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] 0.009579 _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] 0.020661 _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 H 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 . ALA A 1 1 ? 49.229 46.972 21.819 1.00 49.85 ? 1 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? 49.142 47.371 20.379 1.00 49.23 ? 1 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? 47.680 47.283 19.940 1.00 48.15 ? 1 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? 46.787 47.160 20.780 1.00 48.58 ? 1 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? 50.016 46.443 19.519 1.00 50.04 ? 1 ALA A CB 1 ATOM 6 H H1 . ALA A 1 1 ? 48.541 47.540 22.357 1.00 49.85 ? 1 ALA A H1 1 ATOM 7 H H2 . ALA A 1 1 ? 48.904 45.984 21.907 1.00 49.85 ? 1 ALA A H2 1 ATOM 8 H H3 . ALA A 1 1 ? 50.179 47.037 22.219 1.00 49.85 ? 1 ALA A H3 1 ATOM 9 N N . THR A 1 2 ? 47.433 47.356 18.636 1.00 46.26 ? 2 THR A N 1 ATOM 10 C CA . THR A 1 2 ? 46.067 47.258 18.145 1.00 43.82 ? 2 THR A CA 1 ATOM 11 C C . THR A 1 2 ? 45.581 45.806 18.223 1.00 39.85 ? 2 THR A C 1 ATOM 12 O O . THR A 1 2 ? 44.387 45.558 18.352 1.00 38.26 ? 2 THR A O 1 ATOM 13 C CB . THR A 1 2 ? 45.928 47.803 16.708 1.00 45.63 ? 2 THR A CB 1 ATOM 14 O OG1 . THR A 1 2 ? 44.551 48.105 16.448 1.00 48.34 ? 2 THR A OG1 1 ATOM 15 C CG2 . THR A 1 2 ? 46.420 46.781 15.683 1.00 47.22 ? 2 THR A CG2 1 ATOM 16 H H . THR A 1 2 ? 48.149 47.508 17.983 1.00 46.26 ? 2 THR A H 1 ATOM 17 H HG1 . THR A 1 2 ? 44.005 47.314 16.550 1.00 48.34 ? 2 THR A HG1 1 ATOM 18 N N . LEU A 1 3 ? 46.509 44.851 18.155 1.00 36.68 ? 3 LEU A N 1 ATOM 19 C CA . LEU A 1 3 ? 46.133 43.444 18.244 1.00 33.37 ? 3 LEU A CA 1 ATOM 20 C C . LEU A 1 3 ? 45.531 43.188 19.618 1.00 31.85 ? 3 LEU A C 1 ATOM 21 O O . LEU A 1 3 ? 44.492 42.545 19.735 1.00 31.46 ? 3 LEU A O 1 ATOM 22 C CB . LEU A 1 3 ? 47.337 42.519 18.022 1.00 31.58 ? 3 LEU A CB 1 ATOM 23 C CG . LEU A 1 3 ? 47.011 41.024 18.154 1.00 30.17 ? 3 LEU A CG 1 ATOM 24 C CD1 . LEU A 1 3 ? 45.878 40.649 17.204 1.00 28.98 ? 3 LEU A CD1 1 ATOM 25 C CD2 . LEU A 1 3 ? 48.239 40.170 17.895 1.00 27.79 ? 3 LEU A CD2 1 ATOM 26 H H . LEU A 1 3 ? 47.442 45.069 17.984 1.00 36.68 ? 3 LEU A H 1 ATOM 27 N N . ASP A 1 4 ? 46.170 43.733 20.649 1.00 29.58 ? 4 ASP A N 1 ATOM 28 C CA . ASP A 1 4 ? 45.704 43.568 22.023 1.00 28.20 ? 4 ASP A CA 1 ATOM 29 C C . ASP A 1 4 ? 44.298 44.122 22.218 1.00 27.24 ? 4 ASP A C 1 ATOM 30 O O . ASP A 1 4 ? 43.447 43.467 22.824 1.00 26.57 ? 4 ASP A O 1 ATOM 31 C CB . ASP A 1 4 ? 46.667 44.244 23.000 1.00 30.78 ? 4 ASP A CB 1 ATOM 32 C CG . ASP A 1 4 ? 48.055 43.649 22.948 1.00 32.81 ? 4 ASP A CG 1 ATOM 33 O OD1 . ASP A 1 4 ? 48.307 42.682 23.688 1.00 34.36 ? 4 ASP A OD1 1 ATOM 34 O OD2 . ASP A 1 4 ? 48.891 44.142 22.153 1.00 35.39 ? 4 ASP A OD2 1 ATOM 35 H H . ASP A 1 4 ? 46.971 44.252 20.485 1.00 29.58 ? 4 ASP A H 1 ATOM 36 N N . SER A 1 5 ? 44.046 45.321 21.699 1.00 25.02 ? 5 SER A N 1 ATOM 37 C CA . SER A 1 5 ? 42.725 45.926 21.837 1.00 24.05 ? 5 SER A CA 1 ATOM 38 C C . SER A 1 5 ? 41.702 45.182 20.982 1.00 21.85 ? 5 SER A C 1 ATOM 39 O O . SER A 1 5 ? 40.573 44.949 21.426 1.00 21.59 ? 5 SER A O 1 ATOM 40 C CB . SER A 1 5 ? 42.756 47.422 21.486 1.00 25.49 ? 5 SER A CB 1 ATOM 41 O OG . SER A 1 5 ? 43.223 47.651 20.166 1.00 30.93 ? 5 SER A OG 1 ATOM 42 H H . SER A 1 5 ? 44.724 45.830 21.216 1.00 25.02 ? 5 SER A H 1 ATOM 43 H HG . SER A 1 5 ? 42.610 47.423 19.461 1.00 30.93 ? 5 SER A HG 1 ATOM 44 N N . TRP A 1 6 ? 42.100 44.791 19.773 1.00 19.03 ? 6 TRP A N 1 ATOM 45 C CA . TRP A 1 6 ? 41.200 44.060 18.899 1.00 19.04 ? 6 TRP A CA 1 ATOM 46 C C . TRP A 1 6 ? 40.772 42.757 19.573 1.00 19.05 ? 6 TRP A C 1 ATOM 47 O O . TRP A 1 6 ? 39.586 42.411 19.576 1.00 18.68 ? 6 TRP A O 1 ATOM 48 C CB . TRP A 1 6 ? 41.842 43.750 17.550 1.00 18.48 ? 6 TRP A CB 1 ATOM 49 C CG . TRP A 1 6 ? 40.901 42.981 16.650 1.00 18.23 ? 6 TRP A CG 1 ATOM 50 C CD1 . TRP A 1 6 ? 39.864 43.494 15.924 1.00 17.63 ? 6 TRP A CD1 1 ATOM 51 C CD2 . TRP A 1 6 ? 40.876 41.560 16.437 1.00 17.85 ? 6 TRP A CD2 1 ATOM 52 N NE1 . TRP A 1 6 ? 39.190 42.484 15.278 1.00 18.19 ? 6 TRP A NE1 1 ATOM 53 C CE2 . TRP A 1 6 ? 39.788 41.286 15.574 1.00 18.16 ? 6 TRP A CE2 1 ATOM 54 C CE3 . TRP A 1 6 ? 41.664 40.491 16.893 1.00 18.62 ? 6 TRP A CE3 1 ATOM 55 C CZ2 . TRP A 1 6 ? 39.465 39.987 15.156 1.00 18.09 ? 6 TRP A CZ2 1 ATOM 56 C CZ3 . TRP A 1 6 ? 41.343 39.195 16.478 1.00 18.01 ? 6 TRP A CZ3 1 ATOM 57 C CH2 . TRP A 1 6 ? 40.253 38.958 15.618 1.00 18.39 ? 6 TRP A CH2 1 ATOM 58 H H . TRP A 1 6 ? 43.005 44.992 19.471 1.00 19.03 ? 6 TRP A H 1 ATOM 59 H HE1 . TRP A 1 6 ? 38.389 42.632 14.714 1.00 18.19 ? 6 TRP A HE1 1 ATOM 60 N N . LEU A 1 7 ? 41.733 42.057 20.168 1.00 18.07 ? 7 LEU A N 1 ATOM 61 C CA . LEU A 1 7 ? 41.452 40.801 20.854 1.00 18.06 ? 7 LEU A CA 1 ATOM 62 C C . LEU A 1 7 ? 40.483 40.940 22.014 1.00 17.77 ? 7 LEU A C 1 ATOM 63 O O . LEU A 1 7 ? 39.615 40.083 22.208 1.00 17.51 ? 7 LEU A O 1 ATOM 64 C CB . LEU A 1 7 ? 42.740 40.161 21.351 1.00 16.76 ? 7 LEU A CB 1 ATOM 65 C CG . LEU A 1 7 ? 43.473 39.346 20.299 1.00 16.97 ? 7 LEU A CG 1 ATOM 66 C CD1 . LEU A 1 7 ? 44.791 38.874 20.884 1.00 17.35 ? 7 LEU A CD1 1 ATOM 67 C CD2 . LEU A 1 7 ? 42.610 38.150 19.866 1.00 16.17 ? 7 LEU A CD2 1 ATOM 68 H H . LEU A 1 7 ? 42.656 42.390 20.124 1.00 18.07 ? 7 LEU A H 1 ATOM 69 N N . SER A 1 8 ? 40.639 42.000 22.800 1.00 17.82 ? 8 SER A N 1 ATOM 70 C CA . SER A 1 8 ? 39.750 42.227 23.933 1.00 20.13 ? 8 SER A CA 1 ATOM 71 C C . SER A 1 8 ? 38.318 42.417 23.464 1.00 18.89 ? 8 SER A C 1 ATOM 72 O O . SER A 1 8 ? 37.388 41.848 24.040 1.00 20.31 ? 8 SER A O 1 ATOM 73 C CB . SER A 1 8 ? 40.194 43.439 24.750 1.00 22.45 ? 8 SER A CB 1 ATOM 74 O OG . SER A 1 8 ? 41.357 43.129 25.499 1.00 31.13 ? 8 SER A OG 1 ATOM 75 H H . SER A 1 8 ? 41.385 42.628 22.654 1.00 17.82 ? 8 SER A H 1 ATOM 76 H HG . SER A 1 8 ? 41.164 42.329 26.005 1.00 31.13 ? 8 SER A HG 1 ATOM 77 N N A ASN A 1 9 ? 38.132 43.212 22.416 0.68 17.93 ? 9 ASN A N 1 ATOM 78 N N B ASN A 1 9 ? 38.151 43.207 22.406 0.32 17.88 ? 9 ASN A N 1 ATOM 79 C CA A ASN A 1 9 ? 36.791 43.439 21.900 0.68 17.31 ? 9 ASN A CA 1 ATOM 80 C CA B ASN A 1 9 ? 36.835 43.484 21.842 0.32 16.72 ? 9 ASN A CA 1 ATOM 81 C C A ASN A 1 9 ? 36.262 42.180 21.233 0.68 15.72 ? 9 ASN A C 1 ATOM 82 C C B ASN A 1 9 ? 36.262 42.238 21.175 0.32 15.60 ? 9 ASN A C 1 ATOM 83 O O A ASN A 1 9 ? 35.107 41.810 21.439 0.68 15.58 ? 9 ASN A O 1 ATOM 84 O O B ASN A 1 9 ? 35.073 41.943 21.308 0.32 15.66 ? 9 ASN A O 1 ATOM 85 C CB A ASN A 1 9 ? 36.755 44.593 20.901 0.68 18.70 ? 9 ASN A CB 1 ATOM 86 C CB B ASN A 1 9 ? 36.920 44.628 20.825 0.32 17.13 ? 9 ASN A CB 1 ATOM 87 C CG A ASN A 1 9 ? 35.369 44.802 20.316 0.68 21.09 ? 9 ASN A CG 1 ATOM 88 C CG B ASN A 1 9 ? 37.319 45.949 21.461 0.32 17.49 ? 9 ASN A CG 1 ATOM 89 O OD1 A ASN A 1 9 ? 35.145 44.600 19.123 0.68 23.30 ? 9 ASN A OD1 1 ATOM 90 O OD1 B ASN A 1 9 ? 36.972 46.228 22.607 0.32 18.80 ? 9 ASN A OD1 1 ATOM 91 N ND2 A ASN A 1 9 ? 34.421 45.175 21.163 0.68 23.06 ? 9 ASN A ND2 1 ATOM 92 N ND2 B ASN A 1 9 ? 38.053 46.768 20.719 0.32 18.47 ? 9 ASN A ND2 1 ATOM 93 H H A ASN A 1 9 ? 38.897 43.640 21.971 0.68 17.93 ? 9 ASN A H 1 ATOM 94 H H B ASN A 1 9 ? 38.939 43.618 21.990 0.32 17.88 ? 9 ASN A H 1 ATOM 95 H HD21 A ASN A 1 9 ? 33.524 45.318 20.804 0.68 23.06 ? 9 ASN A HD21 1 ATOM 96 H HD21 B ASN A 1 9 ? 38.311 47.617 21.123 0.32 18.47 ? 9 ASN A HD21 1 ATOM 97 H HD22 A ASN A 1 9 ? 34.661 45.292 22.104 0.68 23.06 ? 9 ASN A HD22 1 ATOM 98 H HD22 B ASN A 1 9 ? 38.305 46.504 19.803 0.32 18.47 ? 9 ASN A HD22 1 ATOM 99 N N . GLU A 1 10 ? 37.120 41.503 20.473 1.00 14.42 ? 10 GLU A N 1 ATOM 100 C CA . GLU A 1 10 ? 36.709 40.284 19.780 1.00 12.28 ? 10 GLU A CA 1 ATOM 101 C C . GLU A 1 10 ? 36.307 39.165 20.743 1.00 11.46 ? 10 GLU A C 1 ATOM 102 O O . GLU A 1 10 ? 35.408 38.387 20.433 1.00 10.41 ? 10 GLU A O 1 ATOM 103 C CB . GLU A 1 10 ? 37.795 39.810 18.811 1.00 12.25 ? 10 GLU A CB 1 ATOM 104 C CG . GLU A 1 10 ? 37.379 38.638 17.912 1.00 11.27 ? 10 GLU A CG 1 ATOM 105 C CD . GLU A 1 10 ? 36.247 38.969 16.924 1.00 13.60 ? 10 GLU A CD 1 ATOM 106 O OE1 . GLU A 1 10 ? 35.811 40.141 16.829 1.00 13.82 ? 10 GLU A OE1 1 ATOM 107 O OE2 . GLU A 1 10 ? 35.779 38.037 16.238 1.00 12.84 ? 10 GLU A OE2 1 ATOM 108 H H . GLU A 1 10 ? 38.041 41.797 20.404 1.00 14.42 ? 10 GLU A H 1 ATOM 109 N N . ALA A 1 11 ? 36.951 39.080 21.906 1.00 10.61 ? 11 ALA A N 1 ATOM 110 C CA . ALA A 1 11 ? 36.592 38.054 22.883 1.00 10.72 ? 11 ALA A CA 1 ATOM 111 C C . ALA A 1 11 ? 35.137 38.259 23.323 1.00 12.12 ? 11 ALA A C 1 ATOM 112 O O . ALA A 1 11 ? 34.395 37.294 23.534 1.00 11.89 ? 11 ALA A O 1 ATOM 113 C CB . ALA A 1 11 ? 37.522 38.106 24.081 1.00 12.82 ? 11 ALA A CB 1 ATOM 114 H H . ALA A 1 11 ? 37.693 39.687 22.107 1.00 10.61 ? 11 ALA A H 1 ATOM 115 N N . THR A 1 12 ? 34.724 39.520 23.427 1.00 12.26 ? 12 THR A N 1 ATOM 116 C CA . THR A 1 12 ? 33.359 39.856 23.811 1.00 13.25 ? 12 THR A CA 1 ATOM 117 C C . THR A 1 12 ? 32.386 39.493 22.681 1.00 11.92 ? 12 THR A C 1 ATOM 118 O O . THR A 1 12 ? 31.315 38.933 22.928 1.00 13.16 ? 12 THR A O 1 ATOM 119 C CB . THR A 1 12 ? 33.257 41.350 24.161 1.00 15.15 ? 12 THR A CB 1 ATOM 120 O OG1 . THR A 1 12 ? 34.135 41.626 25.260 1.00 18.37 ? 12 THR A OG1 1 ATOM 121 C CG2 . THR A 1 12 ? 31.837 41.713 24.557 1.00 17.64 ? 12 THR A CG2 1 ATOM 122 H H . THR A 1 12 ? 35.332 40.268 23.252 1.00 12.26 ? 12 THR A H 1 ATOM 123 H HG1 . THR A 1 12 ? 33.972 40.997 25.971 1.00 18.37 ? 12 THR A HG1 1 ATOM 124 N N . VAL A 1 13 ? 32.767 39.800 21.444 1.00 10.74 ? 13 VAL A N 1 ATOM 125 C CA . VAL A 1 13 ? 31.943 39.464 20.294 1.00 10.49 ? 13 VAL A CA 1 ATOM 126 C C . VAL A 1 13 ? 31.785 37.947 20.174 1.00 10.18 ? 13 VAL A C 1 ATOM 127 O O . VAL A 1 13 ? 30.682 37.455 19.929 1.00 9.75 ? 13 VAL A O 1 ATOM 128 C CB . VAL A 1 13 ? 32.554 39.995 18.989 1.00 11.75 ? 13 VAL A CB 1 ATOM 129 C CG1 . VAL A 1 13 ? 31.762 39.481 17.786 1.00 12.51 ? 13 VAL A CG1 1 ATOM 130 C CG2 . VAL A 1 13 ? 32.564 41.526 19.012 1.00 12.29 ? 13 VAL A CG2 1 ATOM 131 H H . VAL A 1 13 ? 33.619 40.283 21.315 1.00 10.74 ? 13 VAL A H 1 ATOM 132 N N . ALA A 1 14 ? 32.884 37.219 20.376 1.00 8.09 ? 14 ALA A N 1 ATOM 133 C CA . ALA A 1 14 ? 32.900 35.763 20.273 1.00 7.90 ? 14 ALA A CA 1 ATOM 134 C C . ALA A 1 14 ? 31.968 35.104 21.281 1.00 7.95 ? 14 ALA A C 1 ATOM 135 O O . ALA A 1 14 ? 31.199 34.206 20.927 1.00 7.66 ? 14 ALA A O 1 ATOM 136 C CB . ALA A 1 14 ? 34.335 35.224 20.422 1.00 6.96 ? 14 ALA A CB 1 ATOM 137 H H . ALA A 1 14 ? 33.715 37.685 20.579 1.00 8.09 ? 14 ALA A H 1 ATOM 138 N N . ARG A 1 15 ? 31.998 35.574 22.524 1.00 8.36 ? 15 ARG A N 1 ATOM 139 C CA . ARG A 1 15 ? 31.138 35.018 23.563 1.00 9.33 ? 15 ARG A CA 1 ATOM 140 C C . ARG A 1 15 ? 29.661 35.224 23.196 1.00 10.22 ? 15 ARG A C 1 ATOM 141 O O . ARG A 1 15 ? 28.846 34.296 23.292 1.00 10.92 ? 15 ARG A O 1 ATOM 142 C CB . ARG A 1 15 ? 31.445 35.680 24.896 1.00 10.83 ? 15 ARG A CB 1 ATOM 143 C CG . ARG A 1 15 ? 30.650 35.134 26.057 1.00 13.05 ? 15 ARG A CG 1 ATOM 144 C CD . ARG A 1 15 ? 30.853 36.018 27.265 1.00 14.91 ? 15 ARG A CD 1 ATOM 145 N NE . ARG A 1 15 ? 30.098 35.553 28.419 1.00 16.96 ? 15 ARG A NE 1 ATOM 146 C CZ . ARG A 1 15 ? 28.820 35.838 28.655 1.00 18.75 ? 15 ARG A CZ 1 ATOM 147 N NH1 . ARG A 1 15 ? 28.129 36.591 27.806 1.00 20.39 ? 15 ARG A NH1 1 ATOM 148 N NH2 . ARG A 1 15 ? 28.246 35.407 29.772 1.00 19.07 ? 15 ARG A NH2 1 ATOM 149 H H . ARG A 1 15 ? 32.622 36.298 22.746 1.00 8.36 ? 15 ARG A H 1 ATOM 150 H HE . ARG A 1 15 ? 30.531 34.949 29.028 1.00 16.96 ? 15 ARG A HE 1 ATOM 151 H HH11 . ARG A 1 15 ? 28.555 36.982 26.980 1.00 20.39 ? 15 ARG A HH11 1 ATOM 152 H HH12 . ARG A 1 15 ? 27.161 36.802 27.966 1.00 20.39 ? 15 ARG A HH12 1 ATOM 153 H HH21 . ARG A 1 15 ? 28.788 34.871 30.430 1.00 19.07 ? 15 ARG A HH21 1 ATOM 154 H HH22 . ARG A 1 15 ? 27.275 35.592 29.962 1.00 19.07 ? 15 ARG A HH22 1 ATOM 155 N N . THR A 1 16 ? 29.332 36.425 22.738 1.00 8.81 ? 16 THR A N 1 ATOM 156 C CA . THR A 1 16 ? 27.968 36.754 22.342 1.00 10.22 ? 16 THR A CA 1 ATOM 157 C C . THR A 1 16 ? 27.489 35.903 21.160 1.00 10.07 ? 16 THR A C 1 ATOM 158 O O . THR A 1 16 ? 26.392 35.332 21.190 1.00 10.06 ? 16 THR A O 1 ATOM 159 C CB . THR A 1 16 ? 27.868 38.249 21.971 1.00 11.90 ? 16 THR A CB 1 ATOM 160 O OG1 . THR A 1 16 ? 28.269 39.034 23.098 1.00 15.69 ? 16 THR A OG1 1 ATOM 161 C CG2 . THR A 1 16 ? 26.444 38.618 21.598 1.00 15.38 ? 16 THR A CG2 1 ATOM 162 H H . THR A 1 16 ? 30.007 37.136 22.677 1.00 8.81 ? 16 THR A H 1 ATOM 163 H HG1 . THR A 1 16 ? 28.271 39.964 22.802 1.00 15.69 ? 16 THR A HG1 1 ATOM 164 N N . ALA A 1 17 ? 28.324 35.795 20.134 1.00 8.87 ? 17 ALA A N 1 ATOM 165 C CA . ALA A 1 17 ? 27.984 35.023 18.947 1.00 8.03 ? 17 ALA A CA 1 ATOM 166 C C . ALA A 1 17 ? 27.749 33.540 19.271 1.00 8.48 ? 17 ALA A C 1 ATOM 167 O O . ALA A 1 17 ? 26.847 32.923 18.708 1.00 8.19 ? 17 ALA A O 1 ATOM 168 C CB . ALA A 1 17 ? 29.081 35.173 17.884 1.00 8.63 ? 17 ALA A CB 1 ATOM 169 H H . ALA A 1 17 ? 29.195 36.247 20.182 1.00 8.87 ? 17 ALA A H 1 ATOM 170 N N . ILE A 1 18 ? 28.564 32.963 20.155 1.00 7.41 ? 18 ILE A N 1 ATOM 171 C CA . ILE A 1 18 ? 28.382 31.564 20.522 1.00 6.57 ? 18 ILE A CA 1 ATOM 172 C C . ILE A 1 18 ? 26.989 31.373 21.151 1.00 7.26 ? 18 ILE A C 1 ATOM 173 O O . ILE A 1 18 ? 26.243 30.463 20.769 1.00 6.79 ? 18 ILE A O 1 ATOM 174 C CB . ILE A 1 18 ? 29.483 31.074 21.496 1.00 7.27 ? 18 ILE A CB 1 ATOM 175 C CG1 . ILE A 1 18 ? 30.825 30.952 20.751 1.00 7.42 ? 18 ILE A CG1 1 ATOM 176 C CG2 . ILE A 1 18 ? 29.079 29.725 22.117 1.00 7.42 ? 18 ILE A CG2 1 ATOM 177 C CD1 . ILE A 1 18 ? 32.037 30.625 21.647 1.00 8.42 ? 18 ILE A CD1 1 ATOM 178 H H . ILE A 1 18 ? 29.302 33.473 20.558 1.00 7.41 ? 18 ILE A H 1 ATOM 179 N N . LEU A 1 19 ? 26.623 32.254 22.081 1.00 6.44 ? 19 LEU A N 1 ATOM 180 C CA . LEU A 1 19 ? 25.317 32.158 22.740 1.00 7.62 ? 19 LEU A CA 1 ATOM 181 C C . LEU A 1 19 ? 24.152 32.327 21.759 1.00 8.04 ? 19 LEU A C 1 ATOM 182 O O . LEU A 1 19 ? 23.091 31.713 21.932 1.00 7.42 ? 19 LEU A O 1 ATOM 183 C CB . LEU A 1 19 ? 25.200 33.157 23.898 1.00 7.38 ? 19 LEU A CB 1 ATOM 184 C CG . LEU A 1 19 ? 26.109 32.882 25.107 1.00 10.19 ? 19 LEU A CG 1 ATOM 185 C CD1 . LEU A 1 19 ? 25.945 33.987 26.141 1.00 12.92 ? 19 LEU A CD1 1 ATOM 186 C CD2 . LEU A 1 19 ? 25.804 31.525 25.717 1.00 12.39 ? 19 LEU A CD2 1 ATOM 187 H H . LEU A 1 19 ? 27.253 32.968 22.334 1.00 6.44 ? 19 LEU A H 1 ATOM 188 N N . ASN A 1 20 ? 24.360 33.126 20.714 1.00 7.65 ? 20 ASN A N 1 ATOM 189 C CA . ASN A 1 20 ? 23.327 33.339 19.699 1.00 8.21 ? 20 ASN A CA 1 ATOM 190 C C . ASN A 1 20 ? 23.064 32.062 18.899 1.00 6.80 ? 20 ASN A C 1 ATOM 191 O O . ASN A 1 20 ? 22.031 31.948 18.227 1.00 6.59 ? 20 ASN A O 1 ATOM 192 C CB . ASN A 1 20 ? 23.758 34.410 18.696 1.00 8.17 ? 20 ASN A CB 1 ATOM 193 C CG . ASN A 1 20 ? 23.717 35.798 19.259 1.00 10.48 ? 20 ASN A CG 1 ATOM 194 O OD1 . ASN A 1 20 ? 23.133 36.047 20.311 1.00 12.43 ? 20 ASN A OD1 1 ATOM 195 N ND2 . ASN A 1 20 ? 24.342 36.723 18.554 1.00 12.30 ? 20 ASN A ND2 1 ATOM 196 H H . ASN A 1 20 ? 25.227 33.574 20.640 1.00 7.65 ? 20 ASN A H 1 ATOM 197 H HD21 . ASN A 1 20 ? 24.340 37.648 18.886 1.00 12.30 ? 20 ASN A HD21 1 ATOM 198 H HD22 . ASN A 1 20 ? 24.785 36.457 17.726 1.00 12.30 ? 20 ASN A HD22 1 ATOM 199 N N . ASN A 1 21 ? 24.033 31.145 18.915 1.00 5.61 ? 21 ASN A N 1 ATOM 200 C CA . ASN A 1 21 ? 23.948 29.886 18.172 1.00 6.08 ? 21 ASN A CA 1 ATOM 201 C C . ASN A 1 21 ? 23.561 28.671 19.021 1.00 5.54 ? 21 ASN A C 1 ATOM 202 O O . ASN A 1 21 ? 23.745 27.526 18.594 1.00 6.14 ? 21 ASN A O 1 ATOM 203 C CB . ASN A 1 21 ? 25.291 29.582 17.473 1.00 5.99 ? 21 ASN A CB 1 ATOM 204 C CG . ASN A 1 21 ? 25.534 30.424 16.214 1.00 9.10 ? 21 ASN A CG 1 ATOM 205 O OD1 . ASN A 1 21 ? 26.642 30.432 15.682 1.00 9.80 ? 21 ASN A OD1 1 ATOM 206 N ND2 . ASN A 1 21 ? 24.511 31.112 15.729 1.00 5.69 ? 21 ASN A ND2 1 ATOM 207 H H . ASN A 1 21 ? 24.856 31.292 19.435 1.00 5.61 ? 21 ASN A H 1 ATOM 208 H HD21 . ASN A 1 21 ? 24.753 31.645 14.945 1.00 5.69 ? 21 ASN A HD21 1 ATOM 209 H HD22 . ASN A 1 21 ? 23.623 31.082 16.128 1.00 5.69 ? 21 ASN A HD22 1 ATOM 210 N N . ILE A 1 22 ? 23.041 28.902 20.222 1.00 5.28 ? 22 ILE A N 1 ATOM 211 C CA . ILE A 1 22 ? 22.640 27.793 21.089 1.00 5.42 ? 22 ILE A CA 1 ATOM 212 C C . ILE A 1 22 ? 21.144 27.937 21.411 1.00 5.25 ? 22 ILE A C 1 ATOM 213 O O . ILE A 1 22 ? 20.684 29.025 21.796 1.00 4.30 ? 22 ILE A O 1 ATOM 214 C CB . ILE A 1 22 ? 23.476 27.768 22.405 1.00 5.50 ? 22 ILE A CB 1 ATOM 215 C CG1 . ILE A 1 22 ? 24.974 27.602 22.077 1.00 5.14 ? 22 ILE A CG1 1 ATOM 216 C CG2 . ILE A 1 22 ? 22.996 26.637 23.313 1.00 4.84 ? 22 ILE A CG2 1 ATOM 217 C CD1 . ILE A 1 22 ? 25.923 27.743 23.288 1.00 4.87 ? 22 ILE A CD1 1 ATOM 218 H H . ILE A 1 22 ? 22.897 29.815 20.546 1.00 5.28 ? 22 ILE A H 1 ATOM 219 N N . GLY A 1 23 ? 20.386 26.860 21.209 1.00 5.65 ? 23 GLY A N 1 ATOM 220 C CA . GLY A 1 23 ? 18.952 26.889 21.489 1.00 5.98 ? 23 GLY A CA 1 ATOM 221 C C . GLY A 1 23 ? 18.653 26.869 22.986 1.00 7.30 ? 23 GLY A C 1 ATOM 222 O O . GLY A 1 23 ? 19.528 26.519 23.786 1.00 6.32 ? 23 GLY A O 1 ATOM 223 H H . GLY A 1 23 ? 20.802 26.044 20.855 1.00 5.65 ? 23 GLY A H 1 ATOM 224 N N . ALA A 1 24 ? 17.413 27.160 23.387 1.00 6.15 ? 24 ALA A N 1 ATOM 225 C CA . ALA A 1 24 ? 16.318 27.479 22.472 1.00 7.55 ? 24 ALA A CA 1 ATOM 226 C C . ALA A 1 24 ? 15.983 28.971 22.481 1.00 8.51 ? 24 ALA A C 1 ATOM 227 O O . ALA A 1 24 ? 14.919 29.381 22.016 1.00 8.72 ? 24 ALA A O 1 ATOM 228 C CB . ALA A 1 24 ? 15.083 26.659 22.835 1.00 7.76 ? 24 ALA A CB 1 ATOM 229 H H . ALA A 1 24 ? 17.227 27.174 24.353 1.00 6.15 ? 24 ALA A H 1 ATOM 230 N N . ASP A 1 25 ? 16.896 29.772 23.013 1.00 8.07 ? 25 ASP A N 1 ATOM 231 C CA . ASP A 1 25 ? 16.725 31.214 23.081 1.00 11.20 ? 25 ASP A CA 1 ATOM 232 C C . ASP A 1 25 ? 17.801 31.966 22.280 1.00 11.72 ? 25 ASP A C 1 ATOM 233 O O . ASP A 1 25 ? 17.829 33.201 22.292 1.00 13.25 ? 25 ASP A O 1 ATOM 234 C CB . ASP A 1 25 ? 16.728 31.670 24.548 1.00 15.83 ? 25 ASP A CB 1 ATOM 235 C CG . ASP A 1 25 ? 17.979 31.203 25.323 1.00 23.80 ? 25 ASP A CG 1 ATOM 236 O OD1 . ASP A 1 25 ? 18.762 30.333 24.838 1.00 22.56 ? 25 ASP A OD1 1 ATOM 237 O OD2 . ASP A 1 25 ? 18.171 31.705 26.457 1.00 29.85 ? 25 ASP A OD2 1 ATOM 238 H H . ASP A 1 25 ? 17.714 29.378 23.382 1.00 8.07 ? 25 ASP A H 1 ATOM 239 N N . GLY A 1 26 ? 18.680 31.225 21.599 1.00 10.21 ? 26 GLY A N 1 ATOM 240 C CA . GLY A 1 26 ? 19.731 31.834 20.800 1.00 10.17 ? 26 GLY A CA 1 ATOM 241 C C . GLY A 1 26 ? 19.115 32.611 19.656 1.00 10.20 ? 26 GLY A C 1 ATOM 242 O O . GLY A 1 26 ? 18.382 32.042 18.851 1.00 8.89 ? 26 GLY A O 1 ATOM 243 H H . GLY A 1 26 ? 18.598 30.250 21.581 1.00 10.21 ? 26 GLY A H 1 ATOM 244 N N . ALA A 1 27 ? 19.439 33.899 19.572 1.00 10.36 ? 27 ALA A N 1 ATOM 245 C CA . ALA A 1 27 ? 18.892 34.801 18.554 1.00 11.07 ? 27 ALA A CA 1 ATOM 246 C C . ALA A 1 27 ? 19.039 34.396 17.092 1.00 11.37 ? 27 ALA A C 1 ATOM 247 O O . ALA A 1 27 ? 18.188 34.739 16.273 1.00 13.12 ? 27 ALA A O 1 ATOM 248 C CB . ALA A 1 27 ? 19.457 36.206 18.751 1.00 12.13 ? 27 ALA A CB 1 ATOM 249 H H . ALA A 1 27 ? 20.053 34.253 20.256 1.00 10.36 ? 27 ALA A H 1 ATOM 250 N N . TRP A 1 28 ? 20.093 33.660 16.760 1.00 9.27 ? 28 TRP A N 1 ATOM 251 C CA . TRP A 1 28 ? 20.322 33.266 15.378 1.00 8.97 ? 28 TRP A CA 1 ATOM 252 C C . TRP A 1 28 ? 19.845 31.885 14.999 1.00 9.04 ? 28 TRP A C 1 ATOM 253 O O . TRP A 1 28 ? 19.886 31.534 13.819 1.00 9.71 ? 28 TRP A O 1 ATOM 254 C CB . TRP A 1 28 ? 21.813 33.322 15.056 1.00 9.60 ? 28 TRP A CB 1 ATOM 255 C CG . TRP A 1 28 ? 22.405 34.689 15.058 1.00 12.80 ? 28 TRP A CG 1 ATOM 256 C CD1 . TRP A 1 28 ? 21.739 35.878 14.949 1.00 13.80 ? 28 TRP A CD1 1 ATOM 257 C CD2 . TRP A 1 28 ? 23.798 35.015 15.159 1.00 12.83 ? 28 TRP A CD2 1 ATOM 258 N NE1 . TRP A 1 28 ? 22.633 36.921 14.974 1.00 14.84 ? 28 TRP A NE1 1 ATOM 259 C CE2 . TRP A 1 28 ? 23.903 36.420 15.102 1.00 14.01 ? 28 TRP A CE2 1 ATOM 260 C CE3 . TRP A 1 28 ? 24.968 34.252 15.296 1.00 12.53 ? 28 TRP A CE3 1 ATOM 261 C CZ2 . TRP A 1 28 ? 25.138 37.085 15.174 1.00 14.91 ? 28 TRP A CZ2 1 ATOM 262 C CZ3 . TRP A 1 28 ? 26.192 34.909 15.370 1.00 12.96 ? 28 TRP A CZ3 1 ATOM 263 C CH2 . TRP A 1 28 ? 26.268 36.313 15.307 1.00 14.34 ? 28 TRP A CH2 1 ATOM 264 H H . TRP A 1 28 ? 20.705 33.352 17.457 1.00 9.27 ? 28 TRP A H 1 ATOM 265 H HE1 . TRP A 1 28 ? 22.393 37.868 14.852 1.00 14.84 ? 28 TRP A HE1 1 ATOM 266 N N . VAL A 1 29 ? 19.371 31.106 15.963 1.00 7.99 ? 29 VAL A N 1 ATOM 267 C CA . VAL A 1 29 ? 18.996 29.730 15.664 1.00 7.90 ? 29 VAL A CA 1 ATOM 268 C C . VAL A 1 29 ? 17.627 29.262 16.153 1.00 8.62 ? 29 VAL A C 1 ATOM 269 O O . VAL A 1 29 ? 17.475 28.140 16.656 1.00 8.20 ? 29 VAL A O 1 ATOM 270 C CB . VAL A 1 29 ? 20.089 28.756 16.182 1.00 8.22 ? 29 VAL A CB 1 ATOM 271 C CG1 . VAL A 1 29 ? 21.424 29.031 15.484 1.00 7.05 ? 29 VAL A CG1 1 ATOM 272 C CG2 . VAL A 1 29 ? 20.249 28.910 17.692 1.00 7.76 ? 29 VAL A CG2 1 ATOM 273 H H . VAL A 1 29 ? 19.232 31.453 16.868 1.00 7.99 ? 29 VAL A H 1 ATOM 274 N N . SER A 1 30 ? 16.619 30.105 15.967 1.00 9.14 ? 30 SER A N 1 ATOM 275 C CA . SER A 1 30 ? 15.272 29.734 16.369 1.00 10.80 ? 30 SER A CA 1 ATOM 276 C C . SER A 1 30 ? 14.938 28.398 15.700 1.00 9.20 ? 30 SER A C 1 ATOM 277 O O . SER A 1 30 ? 15.164 28.215 14.498 1.00 9.71 ? 30 SER A O 1 ATOM 278 C CB . SER A 1 30 ? 14.274 30.820 15.958 1.00 13.08 ? 30 SER A CB 1 ATOM 279 O OG . SER A 1 30 ? 12.970 30.453 16.376 1.00 20.18 ? 30 SER A OG 1 ATOM 280 H H . SER A 1 30 ? 16.771 30.988 15.565 1.00 9.14 ? 30 SER A H 1 ATOM 281 H HG . SER A 1 30 ? 12.375 31.165 16.127 1.00 20.18 ? 30 SER A HG 1 ATOM 282 N N . GLY A 1 31 ? 14.452 27.447 16.488 1.00 8.41 ? 31 GLY A N 1 ATOM 283 C CA . GLY A 1 31 ? 14.151 26.134 15.959 1.00 7.09 ? 31 GLY A CA 1 ATOM 284 C C . GLY A 1 31 ? 14.998 25.088 16.656 1.00 8.13 ? 31 GLY A C 1 ATOM 285 O O . GLY A 1 31 ? 14.609 23.918 16.728 1.00 8.38 ? 31 GLY A O 1 ATOM 286 H H . GLY A 1 31 ? 14.294 27.659 17.429 1.00 8.41 ? 31 GLY A H 1 ATOM 287 N N . ALA A 1 32 ? 16.167 25.494 17.159 1.00 6.66 ? 32 ALA A N 1 ATOM 288 C CA . ALA A 1 32 ? 17.052 24.570 17.873 1.00 5.80 ? 32 ALA A CA 1 ATOM 289 C C . ALA A 1 32 ? 16.482 24.317 19.267 1.00 6.54 ? 32 ALA A C 1 ATOM 290 O O . ALA A 1 32 ? 15.978 25.249 19.912 1.00 7.08 ? 32 ALA A O 1 ATOM 291 C CB . ALA A 1 32 ? 18.456 25.165 17.980 1.00 6.70 ? 32 ALA A CB 1 ATOM 292 H H . ALA A 1 32 ? 16.431 26.438 17.073 1.00 6.66 ? 32 ALA A H 1 ATOM 293 N N . ASP A 1 33 ? 16.547 23.067 19.729 1.00 4.66 ? 33 ASP A N 1 ATOM 294 C CA . ASP A 1 33 ? 16.033 22.715 21.046 1.00 5.36 ? 33 ASP A CA 1 ATOM 295 C C . ASP A 1 33 ? 16.960 23.266 22.158 1.00 5.39 ? 33 ASP A C 1 ATOM 296 O O . ASP A 1 33 ? 18.034 23.815 21.878 1.00 4.17 ? 33 ASP A O 1 ATOM 297 C CB . ASP A 1 33 ? 15.833 21.194 21.143 1.00 5.40 ? 33 ASP A CB 1 ATOM 298 C CG . ASP A 1 33 ? 14.713 20.793 22.116 1.00 6.78 ? 33 ASP A CG 1 ATOM 299 O OD1 . ASP A 1 33 ? 14.422 21.539 23.071 1.00 7.26 ? 33 ASP A OD1 1 ATOM 300 O OD2 . ASP A 1 33 ? 14.114 19.712 21.939 1.00 9.54 ? 33 ASP A OD2 1 ATOM 301 H H . ASP A 1 33 ? 16.969 22.366 19.186 1.00 4.66 ? 33 ASP A H 1 ATOM 302 N N . SER A 1 34 ? 16.532 23.154 23.411 1.00 4.34 ? 34 SER A N 1 ATOM 303 C CA . SER A 1 34 ? 17.294 23.672 24.538 1.00 5.52 ? 34 SER A CA 1 ATOM 304 C C . SER A 1 34 ? 18.652 22.978 24.720 1.00 5.48 ? 34 SER A C 1 ATOM 305 O O . SER A 1 34 ? 18.712 21.756 24.876 1.00 6.22 ? 34 SER A O 1 ATOM 306 C CB . SER A 1 34 ? 16.468 23.532 25.822 1.00 5.92 ? 34 SER A CB 1 ATOM 307 O OG . SER A 1 34 ? 17.111 24.186 26.906 1.00 8.73 ? 34 SER A OG 1 ATOM 308 H H . SER A 1 34 ? 15.690 22.739 23.630 1.00 4.34 ? 34 SER A H 1 ATOM 309 H HG . SER A 1 34 ? 16.981 23.602 27.665 1.00 8.73 ? 34 SER A HG 1 ATOM 310 N N . GLY A 1 35 ? 19.720 23.775 24.745 1.00 4.41 ? 35 GLY A N 1 ATOM 311 C CA . GLY A 1 35 ? 21.064 23.242 24.916 1.00 4.42 ? 35 GLY A CA 1 ATOM 312 C C . GLY A 1 35 ? 21.720 22.730 23.642 1.00 6.42 ? 35 GLY A C 1 ATOM 313 O O . GLY A 1 35 ? 22.837 22.188 23.679 1.00 6.73 ? 35 GLY A O 1 ATOM 314 H H . GLY A 1 35 ? 19.592 24.740 24.645 1.00 4.41 ? 35 GLY A H 1 ATOM 315 N N . ILE A 1 36 ? 21.032 22.867 22.510 1.00 5.18 ? 36 ILE A N 1 ATOM 316 C CA . ILE A 1 36 ? 21.578 22.399 21.237 1.00 4.78 ? 36 ILE A CA 1 ATOM 317 C C . ILE A 1 36 ? 22.483 23.458 20.612 1.00 5.00 ? 36 ILE A C 1 ATOM 318 O O . ILE A 1 36 ? 22.035 24.565 20.296 1.00 4.80 ? 36 ILE A O 1 ATOM 319 C CB . ILE A 1 36 ? 20.454 21.998 20.253 1.00 5.57 ? 36 ILE A CB 1 ATOM 320 C CG1 . ILE A 1 36 ? 19.706 20.763 20.779 1.00 5.86 ? 36 ILE A CG1 1 ATOM 321 C CG2 . ILE A 1 36 ? 21.020 21.724 18.870 1.00 3.97 ? 36 ILE A CG2 1 ATOM 322 C CD1 . ILE A 1 36 ? 20.555 19.496 20.871 1.00 7.41 ? 36 ILE A CD1 1 ATOM 323 H H . ILE A 1 36 ? 20.152 23.300 22.513 1.00 5.18 ? 36 ILE A H 1 ATOM 324 N N . VAL A 1 37 ? 23.765 23.116 20.460 1.00 4.78 ? 37 VAL A N 1 ATOM 325 C CA . VAL A 1 37 ? 24.748 24.016 19.858 1.00 4.10 ? 37 VAL A CA 1 ATOM 326 C C . VAL A 1 37 ? 24.690 23.803 18.346 1.00 4.36 ? 37 VAL A C 1 ATOM 327 O O . VAL A 1 37 ? 24.935 22.701 17.849 1.00 5.39 ? 37 VAL A O 1 ATOM 328 C CB . VAL A 1 37 ? 26.192 23.722 20.349 1.00 3.80 ? 37 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 37 ? 27.177 24.704 19.706 1.00 5.45 ? 37 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 37 ? 26.267 23.802 21.888 1.00 3.90 ? 37 VAL A CG2 1 ATOM 331 H H . VAL A 1 37 ? 24.056 22.217 20.728 1.00 4.78 ? 37 VAL A H 1 ATOM 332 N N . VAL A 1 38 ? 24.350 24.851 17.619 1.00 3.36 ? 38 VAL A N 1 ATOM 333 C CA . VAL A 1 38 ? 24.248 24.758 16.169 1.00 4.60 ? 38 VAL A CA 1 ATOM 334 C C . VAL A 1 38 ? 25.593 25.176 15.563 1.00 5.10 ? 38 VAL A C 1 ATOM 335 O O . VAL A 1 38 ? 26.201 26.150 16.017 1.00 5.17 ? 38 VAL A O 1 ATOM 336 C CB . VAL A 1 38 ? 23.080 25.650 15.664 1.00 5.16 ? 38 VAL A CB 1 ATOM 337 C CG1 . VAL A 1 38 ? 22.893 25.487 14.149 1.00 5.52 ? 38 VAL A CG1 1 ATOM 338 C CG2 . VAL A 1 38 ? 21.793 25.288 16.410 1.00 4.24 ? 38 VAL A CG2 1 ATOM 339 H H . VAL A 1 38 ? 24.192 25.721 18.050 1.00 3.36 ? 38 VAL A H 1 ATOM 340 N N . ALA A 1 39 ? 26.067 24.430 14.565 1.00 5.85 ? 39 ALA A N 1 ATOM 341 C CA . ALA A 1 39 ? 27.359 24.718 13.928 1.00 5.75 ? 39 ALA A CA 1 ATOM 342 C C . ALA A 1 39 ? 27.447 26.111 13.289 1.00 6.24 ? 39 ALA A C 1 ATOM 343 O O . ALA A 1 39 ? 28.470 26.791 13.400 1.00 6.21 ? 39 ALA A O 1 ATOM 344 C CB . ALA A 1 39 ? 27.704 23.635 12.917 1.00 5.56 ? 39 ALA A CB 1 ATOM 345 H H . ALA A 1 39 ? 25.530 23.676 14.249 1.00 5.85 ? 39 ALA A H 1 ATOM 346 N N . SER A 1 40 ? 26.381 26.534 12.619 1.00 5.03 ? 40 SER A N 1 ATOM 347 C CA . SER A 1 40 ? 26.321 27.847 11.984 1.00 5.27 ? 40 SER A CA 1 ATOM 348 C C . SER A 1 40 ? 24.850 28.102 11.656 1.00 6.28 ? 40 SER A C 1 ATOM 349 O O . SER A 1 40 ? 24.095 27.157 11.443 1.00 6.46 ? 40 SER A O 1 ATOM 350 C CB . SER A 1 40 ? 27.142 27.853 10.688 1.00 6.26 ? 40 SER A CB 1 ATOM 351 O OG . SER A 1 40 ? 26.699 28.862 9.790 1.00 7.25 ? 40 SER A OG 1 ATOM 352 H H . SER A 1 40 ? 25.589 25.960 12.521 1.00 5.03 ? 40 SER A H 1 ATOM 353 H HG . SER A 1 40 ? 27.215 29.635 10.047 1.00 7.25 ? 40 SER A HG 1 ATOM 354 N N . PRO A 1 41 ? 24.420 29.372 11.660 1.00 7.33 ? 41 PRO A N 1 ATOM 355 C CA . PRO A 1 41 ? 23.014 29.652 11.338 1.00 8.13 ? 41 PRO A CA 1 ATOM 356 C C . PRO A 1 41 ? 22.720 29.537 9.830 1.00 9.10 ? 41 PRO A C 1 ATOM 357 O O . PRO A 1 41 ? 21.578 29.699 9.398 1.00 10.20 ? 41 PRO A O 1 ATOM 358 C CB . PRO A 1 41 ? 22.814 31.078 11.869 1.00 9.39 ? 41 PRO A CB 1 ATOM 359 C CG . PRO A 1 41 ? 24.176 31.687 11.766 1.00 9.51 ? 41 PRO A CG 1 ATOM 360 C CD . PRO A 1 41 ? 25.103 30.570 12.181 1.00 8.11 ? 41 PRO A CD 1 ATOM 361 N N . SER A 1 42 ? 23.746 29.236 9.039 1.00 8.77 ? 42 SER A N 1 ATOM 362 C CA . SER A 1 42 ? 23.591 29.089 7.591 1.00 9.58 ? 42 SER A CA 1 ATOM 363 C C . SER A 1 42 ? 22.733 27.862 7.271 1.00 10.26 ? 42 SER A C 1 ATOM 364 O O . SER A 1 42 ? 23.091 26.727 7.594 1.00 7.88 ? 42 SER A O 1 ATOM 365 C CB . SER A 1 42 ? 24.968 28.980 6.933 1.00 10.25 ? 42 SER A CB 1 ATOM 366 O OG . SER A 1 42 ? 24.862 29.030 5.522 1.00 11.20 ? 42 SER A OG 1 ATOM 367 H H . SER A 1 42 ? 24.639 29.076 9.413 1.00 8.77 ? 42 SER A H 1 ATOM 368 H HG . SER A 1 42 ? 24.510 28.186 5.212 1.00 11.20 ? 42 SER A HG 1 ATOM 369 N N . THR A 1 43 ? 21.578 28.098 6.655 1.00 11.24 ? 43 THR A N 1 ATOM 370 C CA . THR A 1 43 ? 20.656 27.014 6.315 1.00 12.65 ? 43 THR A CA 1 ATOM 371 C C . THR A 1 43 ? 20.806 26.549 4.874 1.00 15.20 ? 43 THR A C 1 ATOM 372 O O . THR A 1 43 ? 20.237 25.527 4.481 1.00 16.67 ? 43 THR A O 1 ATOM 373 C CB . THR A 1 43 ? 19.183 27.450 6.524 1.00 12.28 ? 43 THR A CB 1 ATOM 374 O OG1 . THR A 1 43 ? 18.941 28.673 5.813 1.00 13.55 ? 43 THR A OG1 1 ATOM 375 C CG2 . THR A 1 43 ? 18.887 27.666 7.998 1.00 12.43 ? 43 THR A CG2 1 ATOM 376 H H . THR A 1 43 ? 21.301 29.017 6.431 1.00 11.24 ? 43 THR A H 1 ATOM 377 H HG1 . THR A 1 43 ? 18.788 28.485 4.872 1.00 13.55 ? 43 THR A HG1 1 ATOM 378 N N . ASP A 1 44 ? 21.606 27.271 4.100 1.00 15.69 ? 44 ASP A N 1 ATOM 379 C CA . ASP A 1 44 ? 21.777 26.943 2.696 1.00 19.50 ? 44 ASP A CA 1 ATOM 380 C C . ASP A 1 44 ? 23.103 27.455 2.151 1.00 17.18 ? 44 ASP A C 1 ATOM 381 O O . ASP A 1 44 ? 23.546 28.545 2.508 1.00 16.13 ? 44 ASP A O 1 ATOM 382 C CB . ASP A 1 44 ? 20.606 27.566 1.923 1.00 24.76 ? 44 ASP A CB 1 ATOM 383 C CG . ASP A 1 44 ? 20.741 27.425 0.430 1.00 32.41 ? 44 ASP A CG 1 ATOM 384 O OD1 . ASP A 1 44 ? 20.913 26.279 -0.057 1.00 35.70 ? 44 ASP A OD1 1 ATOM 385 O OD2 . ASP A 1 44 ? 20.661 28.471 -0.257 1.00 35.82 ? 44 ASP A OD2 1 ATOM 386 H H . ASP A 1 44 ? 22.104 28.035 4.454 1.00 15.69 ? 44 ASP A H 1 ATOM 387 N N . ASN A 1 45 ? 23.745 26.626 1.330 1.00 17.67 ? 45 ASN A N 1 ATOM 388 C CA . ASN A 1 45 ? 25.018 26.937 0.675 1.00 16.90 ? 45 ASN A CA 1 ATOM 389 C C . ASN A 1 45 ? 26.052 27.652 1.550 1.00 14.85 ? 45 ASN A C 1 ATOM 390 O O . ASN A 1 45 ? 26.400 28.809 1.300 1.00 15.96 ? 45 ASN A O 1 ATOM 391 C CB . ASN A 1 45 ? 24.759 27.740 -0.609 1.00 22.12 ? 45 ASN A CB 1 ATOM 392 C CG . ASN A 1 45 ? 23.650 27.127 -1.471 1.00 26.33 ? 45 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 45 ? 23.658 25.930 -1.778 1.00 30.30 ? 45 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 45 ? 22.666 27.935 -1.814 1.00 27.52 ? 45 ASN A ND2 1 ATOM 395 H H . ASN A 1 45 ? 23.322 25.758 1.144 1.00 17.67 ? 45 ASN A H 1 ATOM 396 H HD21 . ASN A 1 45 ? 21.942 27.534 -2.339 1.00 27.52 ? 45 ASN A HD21 1 ATOM 397 H HD22 . ASN A 1 45 ? 22.674 28.867 -1.519 1.00 27.52 ? 45 ASN A HD22 1 ATOM 398 N N . PRO A 1 46 ? 26.586 26.958 2.570 1.00 12.40 ? 46 PRO A N 1 ATOM 399 C CA . PRO A 1 46 ? 26.245 25.571 2.894 1.00 11.01 ? 46 PRO A CA 1 ATOM 400 C C . PRO A 1 46 ? 25.200 25.467 4.008 1.00 9.98 ? 46 PRO A C 1 ATOM 401 O O . PRO A 1 46 ? 24.941 26.437 4.725 1.00 11.45 ? 46 PRO A O 1 ATOM 402 C CB . PRO A 1 46 ? 27.585 25.002 3.343 1.00 9.76 ? 46 PRO A CB 1 ATOM 403 C CG . PRO A 1 46 ? 28.171 26.146 4.104 1.00 11.99 ? 46 PRO A CG 1 ATOM 404 C CD . PRO A 1 46 ? 27.786 27.391 3.313 1.00 11.94 ? 46 PRO A CD 1 ATOM 405 N N . ASP A 1 47 ? 24.582 24.301 4.128 1.00 9.52 ? 47 ASP A N 1 ATOM 406 C CA . ASP A 1 47 ? 23.604 24.081 5.181 1.00 8.57 ? 47 ASP A CA 1 ATOM 407 C C . ASP A 1 47 ? 24.317 23.480 6.393 1.00 6.74 ? 47 ASP A C 1 ATOM 408 O O . ASP A 1 47 ? 24.588 22.278 6.436 1.00 6.85 ? 47 ASP A O 1 ATOM 409 C CB . ASP A 1 47 ? 22.495 23.143 4.710 1.00 9.94 ? 47 ASP A CB 1 ATOM 410 C CG . ASP A 1 47 ? 21.443 22.892 5.779 1.00 11.14 ? 47 ASP A CG 1 ATOM 411 O OD1 . ASP A 1 47 ? 21.486 23.516 6.862 1.00 10.12 ? 47 ASP A OD1 1 ATOM 412 O OD2 . ASP A 1 47 ? 20.569 22.038 5.542 1.00 14.18 ? 47 ASP A OD2 1 ATOM 413 H H . ASP A 1 47 ? 24.780 23.558 3.518 1.00 9.52 ? 47 ASP A H 1 ATOM 414 N N . TYR A 1 48 ? 24.656 24.337 7.348 1.00 6.79 ? 48 TYR A N 1 ATOM 415 C CA . TYR A 1 48 ? 25.320 23.907 8.578 1.00 6.49 ? 48 TYR A CA 1 ATOM 416 C C . TYR A 1 48 ? 24.338 23.987 9.755 1.00 6.39 ? 48 TYR A C 1 ATOM 417 O O . TYR A 1 48 ? 24.747 23.972 10.922 1.00 6.79 ? 48 TYR A O 1 ATOM 418 C CB . TYR A 1 48 ? 26.539 24.794 8.871 1.00 6.20 ? 48 TYR A CB 1 ATOM 419 C CG . TYR A 1 48 ? 27.826 24.379 8.191 1.00 6.97 ? 48 TYR A CG 1 ATOM 420 C CD1 . TYR A 1 48 ? 27.820 23.775 6.931 1.00 6.42 ? 48 TYR A CD1 1 ATOM 421 C CD2 . TYR A 1 48 ? 29.056 24.616 8.803 1.00 7.45 ? 48 TYR A CD2 1 ATOM 422 C CE1 . TYR A 1 48 ? 29.003 23.424 6.300 1.00 6.49 ? 48 TYR A CE1 1 ATOM 423 C CE2 . TYR A 1 48 ? 30.250 24.273 8.177 1.00 5.65 ? 48 TYR A CE2 1 ATOM 424 C CZ . TYR A 1 48 ? 30.215 23.678 6.928 1.00 5.92 ? 48 TYR A CZ 1 ATOM 425 O OH . TYR A 1 48 ? 31.381 23.344 6.289 1.00 5.97 ? 48 TYR A OH 1 ATOM 426 H H . TYR A 1 48 ? 24.419 25.280 7.229 1.00 6.79 ? 48 TYR A H 1 ATOM 427 H HH . TYR A 1 48 ? 32.043 23.975 6.512 1.00 5.97 ? 48 TYR A HH 1 ATOM 428 N N . PHE A 1 49 ? 23.043 24.072 9.448 1.00 6.46 ? 49 PHE A N 1 ATOM 429 C CA . PHE A 1 49 ? 22.002 24.176 10.477 1.00 5.39 ? 49 PHE A CA 1 ATOM 430 C C . PHE A 1 49 ? 21.681 22.781 11.035 1.00 6.10 ? 49 PHE A C 1 ATOM 431 O O . PHE A 1 49 ? 20.619 22.205 10.748 1.00 5.48 ? 49 PHE A O 1 ATOM 432 C CB . PHE A 1 49 ? 20.753 24.852 9.875 1.00 7.12 ? 49 PHE A CB 1 ATOM 433 C CG . PHE A 1 49 ? 19.795 25.427 10.896 1.00 9.22 ? 49 PHE A CG 1 ATOM 434 C CD1 . PHE A 1 49 ? 20.153 26.521 11.680 1.00 11.80 ? 49 PHE A CD1 1 ATOM 435 C CD2 . PHE A 1 49 ? 18.523 24.888 11.054 1.00 10.90 ? 49 PHE A CD2 1 ATOM 436 C CE1 . PHE A 1 49 ? 19.251 27.071 12.613 1.00 12.19 ? 49 PHE A CE1 1 ATOM 437 C CE2 . PHE A 1 49 ? 17.622 25.427 11.977 1.00 12.27 ? 49 PHE A CE2 1 ATOM 438 C CZ . PHE A 1 49 ? 17.988 26.517 12.755 1.00 11.27 ? 49 PHE A CZ 1 ATOM 439 H H . PHE A 1 49 ? 22.773 24.064 8.507 1.00 6.46 ? 49 PHE A H 1 ATOM 440 N N . TYR A 1 50 ? 22.647 22.233 11.781 1.00 3.53 ? 50 TYR A N 1 ATOM 441 C CA . TYR A 1 50 ? 22.584 20.923 12.425 1.00 3.48 ? 50 TYR A CA 1 ATOM 442 C C . TYR A 1 50 ? 23.468 21.030 13.662 1.00 4.34 ? 50 TYR A C 1 ATOM 443 O O . TYR A 1 50 ? 24.210 22.011 13.834 1.00 5.56 ? 50 TYR A O 1 ATOM 444 C CB . TYR A 1 50 ? 23.232 19.833 11.562 1.00 3.76 ? 50 TYR A CB 1 ATOM 445 C CG . TYR A 1 50 ? 22.582 19.616 10.223 1.00 6.23 ? 50 TYR A CG 1 ATOM 446 C CD1 . TYR A 1 50 ? 21.477 18.777 10.095 1.00 6.75 ? 50 TYR A CD1 1 ATOM 447 C CD2 . TYR A 1 50 ? 23.059 20.275 9.091 1.00 6.90 ? 50 TYR A CD2 1 ATOM 448 C CE1 . TYR A 1 50 ? 20.862 18.597 8.874 1.00 8.40 ? 50 TYR A CE1 1 ATOM 449 C CE2 . TYR A 1 50 ? 22.455 20.108 7.866 1.00 10.06 ? 50 TYR A CE2 1 ATOM 450 C CZ . TYR A 1 50 ? 21.354 19.266 7.759 1.00 11.42 ? 50 TYR A CZ 1 ATOM 451 O OH . TYR A 1 50 ? 20.759 19.088 6.525 1.00 13.81 ? 50 TYR A OH 1 ATOM 452 H H . TYR A 1 50 ? 23.466 22.754 11.932 1.00 3.53 ? 50 TYR A H 1 ATOM 453 H HH . TYR A 1 50 ? 21.066 19.821 5.967 1.00 13.81 ? 50 TYR A HH 1 ATOM 454 N N . THR A 1 51 ? 23.425 20.004 14.500 1.00 3.06 ? 51 THR A N 1 ATOM 455 C CA . THR A 1 51 ? 24.272 19.993 15.670 1.00 3.45 ? 51 THR A CA 1 ATOM 456 C C . THR A 1 51 ? 25.238 18.811 15.541 1.00 4.28 ? 51 THR A C 1 ATOM 457 O O . THR A 1 51 ? 24.817 17.666 15.329 1.00 3.91 ? 51 THR A O 1 ATOM 458 C CB . THR A 1 51 ? 23.457 19.940 16.989 1.00 3.01 ? 51 THR A CB 1 ATOM 459 O OG1 . THR A 1 51 ? 24.352 20.009 18.109 1.00 3.82 ? 51 THR A OG1 1 ATOM 460 C CG2 . THR A 1 51 ? 22.613 18.665 17.081 1.00 4.11 ? 51 THR A CG2 1 ATOM 461 H H . THR A 1 51 ? 22.835 19.238 14.323 1.00 3.06 ? 51 THR A H 1 ATOM 462 H HG1 . THR A 1 51 ? 24.827 20.856 18.037 1.00 3.82 ? 51 THR A HG1 1 ATOM 463 N N . TRP A 1 52 ? 26.535 19.115 15.543 1.00 3.00 ? 52 TRP A N 1 ATOM 464 C CA . TRP A 1 52 ? 27.564 18.083 15.446 1.00 3.14 ? 52 TRP A CA 1 ATOM 465 C C . TRP A 1 52 ? 28.062 17.785 16.854 1.00 4.06 ? 52 TRP A C 1 ATOM 466 O O . TRP A 1 52 ? 28.260 18.712 17.656 1.00 3.63 ? 52 TRP A O 1 ATOM 467 C CB . TRP A 1 52 ? 28.756 18.577 14.618 1.00 3.00 ? 52 TRP A CB 1 ATOM 468 C CG . TRP A 1 52 ? 28.680 18.333 13.146 1.00 3.10 ? 52 TRP A CG 1 ATOM 469 C CD1 . TRP A 1 52 ? 29.320 17.343 12.448 1.00 4.06 ? 52 TRP A CD1 1 ATOM 470 C CD2 . TRP A 1 52 ? 28.023 19.154 12.167 1.00 3.00 ? 52 TRP A CD2 1 ATOM 471 N NE1 . TRP A 1 52 ? 29.120 17.511 11.101 1.00 3.23 ? 52 TRP A NE1 1 ATOM 472 C CE2 . TRP A 1 52 ? 28.333 18.614 10.896 1.00 3.89 ? 52 TRP A CE2 1 ATOM 473 C CE3 . TRP A 1 52 ? 27.211 20.300 12.238 1.00 4.21 ? 52 TRP A CE3 1 ATOM 474 C CZ2 . TRP A 1 52 ? 27.862 19.183 9.698 1.00 4.59 ? 52 TRP A CZ2 1 ATOM 475 C CZ3 . TRP A 1 52 ? 26.738 20.868 11.042 1.00 4.78 ? 52 TRP A CZ3 1 ATOM 476 C CH2 . TRP A 1 52 ? 27.070 20.305 9.792 1.00 3.66 ? 52 TRP A CH2 1 ATOM 477 H H . TRP A 1 52 ? 26.815 20.049 15.645 1.00 3.00 ? 52 TRP A H 1 ATOM 478 H HE1 . TRP A 1 52 ? 29.502 16.944 10.401 1.00 3.23 ? 52 TRP A HE1 1 ATOM 479 N N . THR A 1 53 ? 28.308 16.514 17.143 1.00 3.35 ? 53 THR A N 1 ATOM 480 C CA . THR A 1 53 ? 28.808 16.116 18.462 1.00 3.50 ? 53 THR A CA 1 ATOM 481 C C . THR A 1 53 ? 30.185 16.748 18.726 1.00 3.26 ? 53 THR A C 1 ATOM 482 O O . THR A 1 53 ? 30.438 17.242 19.827 1.00 3.00 ? 53 THR A O 1 ATOM 483 C CB . THR A 1 53 ? 28.841 14.575 18.596 1.00 4.26 ? 53 THR A CB 1 ATOM 484 O OG1 . THR A 1 53 ? 27.496 14.085 18.506 1.00 5.32 ? 53 THR A OG1 1 ATOM 485 C CG2 . THR A 1 53 ? 29.432 14.140 19.934 1.00 4.22 ? 53 THR A CG2 1 ATOM 486 H H . THR A 1 53 ? 28.148 15.815 16.466 1.00 3.35 ? 53 THR A H 1 ATOM 487 H HG1 . THR A 1 53 ? 26.940 14.553 19.151 1.00 5.32 ? 53 THR A HG1 1 ATOM 488 N N . ARG A 1 54 ? 31.031 16.804 17.697 1.00 3.14 ? 54 ARG A N 1 ATOM 489 C CA . ARG A 1 54 ? 32.367 17.404 17.824 1.00 3.27 ? 54 ARG A CA 1 ATOM 490 C C . ARG A 1 54 ? 32.302 18.906 18.101 1.00 3.16 ? 54 ARG A C 1 ATOM 491 O O . ARG A 1 54 ? 32.806 19.367 19.124 1.00 3.01 ? 54 ARG A O 1 ATOM 492 C CB . ARG A 1 54 ? 33.194 17.154 16.555 1.00 3.00 ? 54 ARG A CB 1 ATOM 493 C CG . ARG A 1 54 ? 34.476 18.004 16.432 1.00 3.00 ? 54 ARG A CG 1 ATOM 494 C CD . ARG A 1 54 ? 35.252 17.650 15.161 1.00 3.00 ? 54 ARG A CD 1 ATOM 495 N NE . ARG A 1 54 ? 34.363 17.612 13.999 1.00 3.29 ? 54 ARG A NE 1 ATOM 496 C CZ . ARG A 1 54 ? 33.874 16.492 13.458 1.00 3.29 ? 54 ARG A CZ 1 ATOM 497 N NH1 . ARG A 1 54 ? 34.204 15.294 13.947 1.00 3.02 ? 54 ARG A NH1 1 ATOM 498 N NH2 . ARG A 1 54 ? 32.958 16.573 12.507 1.00 3.00 ? 54 ARG A NH2 1 ATOM 499 H H . ARG A 1 54 ? 30.763 16.427 16.832 1.00 3.14 ? 54 ARG A H 1 ATOM 500 H HE . ARG A 1 54 ? 34.094 18.468 13.595 1.00 3.29 ? 54 ARG A HE 1 ATOM 501 H HH11 . ARG A 1 54 ? 34.816 15.189 14.735 1.00 3.02 ? 54 ARG A HH11 1 ATOM 502 H HH12 . ARG A 1 54 ? 33.806 14.475 13.524 1.00 3.02 ? 54 ARG A HH12 1 ATOM 503 H HH21 . ARG A 1 54 ? 32.622 17.468 12.192 1.00 3.00 ? 54 ARG A HH21 1 ATOM 504 H HH22 . ARG A 1 54 ? 32.584 15.737 12.093 1.00 3.00 ? 54 ARG A HH22 1 ATOM 505 N N . ASP A 1 55 ? 31.675 19.678 17.213 1.00 3.00 ? 55 ASP A N 1 ATOM 506 C CA . ASP A 1 55 ? 31.611 21.135 17.415 1.00 3.02 ? 55 ASP A CA 1 ATOM 507 C C . ASP A 1 55 ? 31.014 21.484 18.772 1.00 4.41 ? 55 ASP A C 1 ATOM 508 O O . ASP A 1 55 ? 31.532 22.352 19.480 1.00 3.91 ? 55 ASP A O 1 ATOM 509 C CB . ASP A 1 55 ? 30.782 21.825 16.324 1.00 3.18 ? 55 ASP A CB 1 ATOM 510 C CG . ASP A 1 55 ? 31.349 21.622 14.944 1.00 5.05 ? 55 ASP A CG 1 ATOM 511 O OD1 . ASP A 1 55 ? 31.703 20.474 14.600 1.00 5.24 ? 55 ASP A OD1 1 ATOM 512 O OD2 . ASP A 1 55 ? 31.427 22.610 14.192 1.00 5.32 ? 55 ASP A OD2 1 ATOM 513 H H . ASP A 1 55 ? 31.275 19.293 16.412 1.00 3.00 ? 55 ASP A H 1 ATOM 514 N N . SER A 1 56 ? 29.919 20.813 19.120 1.00 3.01 ? 56 SER A N 1 ATOM 515 C CA . SER A 1 56 ? 29.245 21.054 20.396 1.00 3.91 ? 56 SER A CA 1 ATOM 516 C C . SER A 1 56 ? 30.161 20.777 21.582 1.00 3.03 ? 56 SER A C 1 ATOM 517 O O . SER A 1 56 ? 30.245 21.592 22.499 1.00 4.97 ? 56 SER A O 1 ATOM 518 C CB . SER A 1 56 ? 27.976 20.189 20.496 1.00 5.02 ? 56 SER A CB 1 ATOM 519 O OG . SER A 1 56 ? 27.093 20.518 19.426 1.00 7.02 ? 56 SER A OG 1 ATOM 520 H H . SER A 1 56 ? 29.529 20.156 18.507 1.00 3.01 ? 56 SER A H 1 ATOM 521 H HG . SER A 1 56 ? 26.411 19.833 19.365 1.00 7.02 ? 56 SER A HG 1 ATOM 522 N N . GLY A 1 57 ? 30.841 19.633 21.562 1.00 3.08 ? 57 GLY A N 1 ATOM 523 C CA . GLY A 1 57 ? 31.728 19.268 22.654 1.00 3.86 ? 57 GLY A CA 1 ATOM 524 C C . GLY A 1 57 ? 32.888 20.239 22.798 1.00 4.86 ? 57 GLY A C 1 ATOM 525 O O . GLY A 1 57 ? 33.285 20.581 23.914 1.00 3.82 ? 57 GLY A O 1 ATOM 526 H H . GLY A 1 57 ? 30.757 19.022 20.796 1.00 3.08 ? 57 GLY A H 1 ATOM 527 N N . LEU A 1 58 ? 33.449 20.678 21.675 1.00 3.92 ? 58 LEU A N 1 ATOM 528 C CA . LEU A 1 58 ? 34.557 21.631 21.713 1.00 4.08 ? 58 LEU A CA 1 ATOM 529 C C . LEU A 1 58 ? 34.108 23.001 22.236 1.00 4.46 ? 58 LEU A C 1 ATOM 530 O O . LEU A 1 58 ? 34.799 23.612 23.060 1.00 4.44 ? 58 LEU A O 1 ATOM 531 C CB . LEU A 1 58 ? 35.222 21.768 20.333 1.00 5.41 ? 58 LEU A CB 1 ATOM 532 C CG . LEU A 1 58 ? 36.048 20.552 19.881 1.00 6.81 ? 58 LEU A CG 1 ATOM 533 C CD1 . LEU A 1 58 ? 36.554 20.760 18.466 1.00 8.96 ? 58 LEU A CD1 1 ATOM 534 C CD2 . LEU A 1 58 ? 37.219 20.320 20.830 1.00 8.72 ? 58 LEU A CD2 1 ATOM 535 H H . LEU A 1 58 ? 33.116 20.357 20.807 1.00 3.92 ? 58 LEU A H 1 ATOM 536 N N . VAL A 1 59 ? 32.949 23.470 21.773 1.00 3.11 ? 59 VAL A N 1 ATOM 537 C CA . VAL A 1 59 ? 32.406 24.756 22.202 1.00 3.46 ? 59 VAL A CA 1 ATOM 538 C C . VAL A 1 59 ? 32.029 24.719 23.688 1.00 3.47 ? 59 VAL A C 1 ATOM 539 O O . VAL A 1 59 ? 32.367 25.631 24.444 1.00 4.09 ? 59 VAL A O 1 ATOM 540 C CB . VAL A 1 59 ? 31.170 25.155 21.342 1.00 4.93 ? 59 VAL A CB 1 ATOM 541 C CG1 . VAL A 1 59 ? 30.483 26.372 21.932 1.00 5.76 ? 59 VAL A CG1 1 ATOM 542 C CG2 . VAL A 1 59 ? 31.613 25.446 19.902 1.00 5.00 ? 59 VAL A CG2 1 ATOM 543 H H . VAL A 1 59 ? 32.450 22.941 21.110 1.00 3.11 ? 59 VAL A H 1 ATOM 544 N N . ILE A 1 60 ? 31.373 23.648 24.122 1.00 3.31 ? 60 ILE A N 1 ATOM 545 C CA . ILE A 1 60 ? 30.977 23.549 25.530 1.00 4.31 ? 60 ILE A CA 1 ATOM 546 C C . ILE A 1 60 ? 32.185 23.451 26.469 1.00 4.74 ? 60 ILE A C 1 ATOM 547 O O . ILE A 1 60 ? 32.173 24.044 27.541 1.00 4.80 ? 60 ILE A O 1 ATOM 548 C CB . ILE A 1 60 ? 29.953 22.394 25.782 1.00 5.76 ? 60 ILE A CB 1 ATOM 549 C CG1 . ILE A 1 60 ? 28.634 22.696 25.050 1.00 5.82 ? 60 ILE A CG1 1 ATOM 550 C CG2 . ILE A 1 60 ? 29.692 22.210 27.296 1.00 6.63 ? 60 ILE A CG2 1 ATOM 551 C CD1 . ILE A 1 60 ? 27.897 23.958 25.542 1.00 8.02 ? 60 ILE A CD1 1 ATOM 552 H H . ILE A 1 60 ? 31.146 22.932 23.498 1.00 3.31 ? 60 ILE A H 1 ATOM 553 N N . LYS A 1 61 ? 33.231 22.731 26.076 1.00 4.45 ? 61 LYS A N 1 ATOM 554 C CA . LYS A 1 61 ? 34.429 22.652 26.922 1.00 5.23 ? 61 LYS A CA 1 ATOM 555 C C . LYS A 1 61 ? 34.978 24.078 27.115 1.00 4.33 ? 61 LYS A C 1 ATOM 556 O O . LYS A 1 61 ? 35.378 24.452 28.222 1.00 4.25 ? 61 LYS A O 1 ATOM 557 C CB . LYS A 1 61 ? 35.480 21.722 26.295 1.00 6.51 ? 61 LYS A CB 1 ATOM 558 C CG . LYS A 1 61 ? 36.864 21.702 26.990 1.00 8.76 ? 61 LYS A CG 1 ATOM 559 C CD . LYS A 1 61 ? 36.779 21.355 28.463 1.00 10.86 ? 61 LYS A CD 1 ATOM 560 C CE . LYS A 1 61 ? 38.141 20.947 29.055 1.00 10.27 ? 61 LYS A CE 1 ATOM 561 N NZ . LYS A 1 61 ? 39.211 21.992 29.017 1.00 9.98 ? 61 LYS A NZ 1 ATOM 562 H H . LYS A 1 61 ? 33.197 22.241 25.229 1.00 4.45 ? 61 LYS A H 1 ATOM 563 H HZ1 . LYS A 1 61 ? 38.903 22.837 29.537 1.00 9.98 ? 61 LYS A HZ1 1 ATOM 564 H HZ2 . LYS A 1 61 ? 40.066 21.616 29.477 1.00 9.98 ? 61 LYS A HZ2 1 ATOM 565 H HZ3 . LYS A 1 61 ? 39.484 22.256 28.045 1.00 9.98 ? 61 LYS A HZ3 1 ATOM 566 N N . THR A 1 62 ? 34.943 24.886 26.058 1.00 4.33 ? 62 THR A N 1 ATOM 567 C CA . THR A 1 62 ? 35.413 26.270 26.137 1.00 5.33 ? 62 THR A CA 1 ATOM 568 C C . THR A 1 62 ? 34.556 27.061 27.119 1.00 4.88 ? 62 THR A C 1 ATOM 569 O O . THR A 1 62 ? 35.081 27.786 27.963 1.00 5.88 ? 62 THR A O 1 ATOM 570 C CB . THR A 1 62 ? 35.376 26.963 24.757 1.00 6.22 ? 62 THR A CB 1 ATOM 571 O OG1 . THR A 1 62 ? 36.167 26.207 23.830 1.00 10.38 ? 62 THR A OG1 1 ATOM 572 C CG2 . THR A 1 62 ? 35.938 28.380 24.839 1.00 7.21 ? 62 THR A CG2 1 ATOM 573 H H . THR A 1 62 ? 34.626 24.559 25.188 1.00 4.33 ? 62 THR A H 1 ATOM 574 H HG1 . THR A 1 62 ? 36.240 26.698 23.002 1.00 10.38 ? 62 THR A HG1 1 ATOM 575 N N . LEU A 1 63 ? 33.239 26.902 27.035 1.00 4.73 ? 63 LEU A N 1 ATOM 576 C CA . LEU A 1 63 ? 32.341 27.611 27.943 1.00 4.06 ? 63 LEU A CA 1 ATOM 577 C C . LEU A 1 63 ? 32.510 27.135 29.393 1.00 4.91 ? 63 LEU A C 1 ATOM 578 O O . LEU A 1 63 ? 32.446 27.941 30.318 1.00 6.46 ? 63 LEU A O 1 ATOM 579 C CB . LEU A 1 63 ? 30.889 27.470 27.490 1.00 5.20 ? 63 LEU A CB 1 ATOM 580 C CG . LEU A 1 63 ? 30.554 28.089 26.129 1.00 6.83 ? 63 LEU A CG 1 ATOM 581 C CD1 . LEU A 1 63 ? 29.041 27.999 25.925 1.00 8.60 ? 63 LEU A CD1 1 ATOM 582 C CD2 . LEU A 1 63 ? 31.013 29.532 26.058 1.00 6.92 ? 63 LEU A CD2 1 ATOM 583 H H . LEU A 1 63 ? 32.864 26.297 26.354 1.00 4.73 ? 63 LEU A H 1 ATOM 584 N N . VAL A 1 64 ? 32.738 25.839 29.592 1.00 3.96 ? 64 VAL A N 1 ATOM 585 C CA . VAL A 1 64 ? 32.949 25.300 30.938 1.00 3.79 ? 64 VAL A CA 1 ATOM 586 C C . VAL A 1 64 ? 34.201 25.940 31.554 1.00 4.57 ? 64 VAL A C 1 ATOM 587 O O . VAL A 1 64 ? 34.183 26.365 32.707 1.00 5.41 ? 64 VAL A O 1 ATOM 588 C CB . VAL A 1 64 ? 33.091 23.763 30.908 1.00 5.17 ? 64 VAL A CB 1 ATOM 589 C CG1 . VAL A 1 64 ? 33.555 23.233 32.264 1.00 5.81 ? 64 VAL A CG1 1 ATOM 590 C CG2 . VAL A 1 64 ? 31.746 23.132 30.555 1.00 6.53 ? 64 VAL A CG2 1 ATOM 591 H H . VAL A 1 64 ? 32.776 25.233 28.831 1.00 3.96 ? 64 VAL A H 1 ATOM 592 N N . ASP A 1 65 ? 35.273 26.056 30.776 1.00 5.46 ? 65 ASP A N 1 ATOM 593 C CA . ASP A 1 65 ? 36.489 26.680 31.280 1.00 6.87 ? 65 ASP A CA 1 ATOM 594 C C . ASP A 1 65 ? 36.269 28.162 31.628 1.00 7.56 ? 65 ASP A C 1 ATOM 595 O O . ASP A 1 65 ? 36.752 28.627 32.666 1.00 7.90 ? 65 ASP A O 1 ATOM 596 C CB . ASP A 1 65 ? 37.652 26.486 30.299 1.00 8.06 ? 65 ASP A CB 1 ATOM 597 C CG . ASP A 1 65 ? 38.145 25.043 30.261 1.00 9.65 ? 65 ASP A CG 1 ATOM 598 O OD1 . ASP A 1 65 ? 37.841 24.274 31.180 1.00 12.00 ? 65 ASP A OD1 1 ATOM 599 O OD2 . ASP A 1 65 ? 38.855 24.666 29.316 1.00 13.09 ? 65 ASP A OD2 1 ATOM 600 H H . ASP A 1 65 ? 35.260 25.687 29.869 1.00 5.46 ? 65 ASP A H 1 ATOM 601 N N . LEU A 1 66 ? 35.514 28.891 30.802 1.00 7.37 ? 66 LEU A N 1 ATOM 602 C CA . LEU A 1 66 ? 35.222 30.305 31.081 1.00 7.52 ? 66 LEU A CA 1 ATOM 603 C C . LEU A 1 66 ? 34.375 30.403 32.352 1.00 8.42 ? 66 LEU A C 1 ATOM 604 O O . LEU A 1 66 ? 34.581 31.293 33.184 1.00 8.58 ? 66 LEU A O 1 ATOM 605 C CB . LEU A 1 66 ? 34.465 30.963 29.928 1.00 8.53 ? 66 LEU A CB 1 ATOM 606 C CG . LEU A 1 66 ? 35.170 31.119 28.572 1.00 12.01 ? 66 LEU A CG 1 ATOM 607 C CD1 . LEU A 1 66 ? 34.217 31.780 27.593 1.00 13.21 ? 66 LEU A CD1 1 ATOM 608 C CD2 . LEU A 1 66 ? 36.449 31.928 28.697 1.00 12.32 ? 66 LEU A CD2 1 ATOM 609 H H . LEU A 1 66 ? 35.164 28.461 29.993 1.00 7.37 ? 66 LEU A H 1 ATOM 610 N N . PHE A 1 67 ? 33.413 29.493 32.480 1.00 6.92 ? 67 PHE A N 1 ATOM 611 C CA . PHE A 1 67 ? 32.535 29.428 33.642 1.00 7.93 ? 67 PHE A CA 1 ATOM 612 C C . PHE A 1 67 ? 33.345 29.205 34.927 1.00 9.41 ? 67 PHE A C 1 ATOM 613 O O . PHE A 1 67 ? 33.181 29.934 35.912 1.00 9.85 ? 67 PHE A O 1 ATOM 614 C CB . PHE A 1 67 ? 31.503 28.299 33.467 1.00 7.48 ? 67 PHE A CB 1 ATOM 615 C CG . PHE A 1 67 ? 30.719 27.988 34.717 1.00 10.17 ? 67 PHE A CG 1 ATOM 616 C CD1 . PHE A 1 67 ? 29.672 28.816 35.125 1.00 9.60 ? 67 PHE A CD1 1 ATOM 617 C CD2 . PHE A 1 67 ? 31.026 26.863 35.484 1.00 11.41 ? 67 PHE A CD2 1 ATOM 618 C CE1 . PHE A 1 67 ? 28.945 28.532 36.276 1.00 11.07 ? 67 PHE A CE1 1 ATOM 619 C CE2 . PHE A 1 67 ? 30.299 26.571 36.644 1.00 11.91 ? 67 PHE A CE2 1 ATOM 620 C CZ . PHE A 1 67 ? 29.259 27.408 37.037 1.00 12.06 ? 67 PHE A CZ 1 ATOM 621 H H . PHE A 1 67 ? 33.272 28.845 31.758 1.00 6.92 ? 67 PHE A H 1 ATOM 622 N N . ARG A 1 68 ? 34.226 28.208 34.905 1.00 7.32 ? 68 ARG A N 1 ATOM 623 C CA . ARG A 1 68 ? 35.058 27.898 36.052 1.00 8.26 ? 68 ARG A CA 1 ATOM 624 C C . ARG A 1 68 ? 35.971 29.071 36.398 1.00 10.62 ? 68 ARG A C 1 ATOM 625 O O . ARG A 1 68 ? 36.394 29.205 37.549 1.00 13.12 ? 68 ARG A O 1 ATOM 626 C CB . ARG A 1 68 ? 35.866 26.619 35.798 1.00 8.97 ? 68 ARG A CB 1 ATOM 627 C CG . ARG A 1 68 ? 34.980 25.379 35.655 1.00 9.86 ? 68 ARG A CG 1 ATOM 628 C CD . ARG A 1 68 ? 35.788 24.105 35.392 1.00 11.50 ? 68 ARG A CD 1 ATOM 629 N NE . ARG A 1 68 ? 36.533 23.698 36.578 1.00 12.93 ? 68 ARG A NE 1 ATOM 630 C CZ . ARG A 1 68 ? 37.174 22.542 36.690 1.00 14.75 ? 68 ARG A CZ 1 ATOM 631 N NH1 . ARG A 1 68 ? 37.170 21.671 35.685 1.00 14.20 ? 68 ARG A NH1 1 ATOM 632 N NH2 . ARG A 1 68 ? 37.798 22.252 37.823 1.00 17.36 ? 68 ARG A NH2 1 ATOM 633 H H . ARG A 1 68 ? 34.300 27.668 34.094 1.00 7.32 ? 68 ARG A H 1 ATOM 634 H HE . ARG A 1 68 ? 36.560 24.318 37.342 1.00 12.93 ? 68 ARG A HE 1 ATOM 635 H HH11 . ARG A 1 68 ? 36.694 21.876 34.822 1.00 14.20 ? 68 ARG A HH11 1 ATOM 636 H HH12 . ARG A 1 68 ? 37.644 20.790 35.763 1.00 14.20 ? 68 ARG A HH12 1 ATOM 637 H HH21 . ARG A 1 68 ? 37.767 22.904 38.584 1.00 17.36 ? 68 ARG A HH21 1 ATOM 638 H HH22 . ARG A 1 68 ? 38.303 21.388 37.929 1.00 17.36 ? 68 ARG A HH22 1 ATOM 639 N N . ASN A 1 69 ? 36.264 29.927 35.420 1.00 10.63 ? 69 ASN A N 1 ATOM 640 C CA . ASN A 1 69 ? 37.104 31.098 35.660 1.00 13.57 ? 69 ASN A CA 1 ATOM 641 C C . ASN A 1 69 ? 36.306 32.321 36.096 1.00 13.84 ? 69 ASN A C 1 ATOM 642 O O . ASN A 1 69 ? 36.840 33.428 36.098 1.00 16.51 ? 69 ASN A O 1 ATOM 643 C CB . ASN A 1 69 ? 37.948 31.454 34.432 1.00 15.34 ? 69 ASN A CB 1 ATOM 644 C CG . ASN A 1 69 ? 39.066 30.455 34.176 1.00 20.46 ? 69 ASN A CG 1 ATOM 645 O OD1 . ASN A 1 69 ? 39.497 29.726 35.082 1.00 22.83 ? 69 ASN A OD1 1 ATOM 646 N ND2 . ASN A 1 69 ? 39.539 30.407 32.935 1.00 23.51 ? 69 ASN A ND2 1 ATOM 647 H H . ASN A 1 69 ? 35.925 29.768 34.509 1.00 10.63 ? 69 ASN A H 1 ATOM 648 H HD21 . ASN A 1 69 ? 40.212 29.744 32.665 1.00 23.51 ? 69 ASN A HD21 1 ATOM 649 H HD22 . ASN A 1 69 ? 39.157 31.048 32.298 1.00 23.51 ? 69 ASN A HD22 1 ATOM 650 N N . GLY A 1 70 ? 35.020 32.142 36.390 1.00 13.84 ? 70 GLY A N 1 ATOM 651 C CA . GLY A 1 70 ? 34.212 33.259 36.843 1.00 14.31 ? 70 GLY A CA 1 ATOM 652 C C . GLY A 1 70 ? 33.061 33.740 35.980 1.00 15.06 ? 70 GLY A C 1 ATOM 653 O O . GLY A 1 70 ? 32.306 34.621 36.391 1.00 15.61 ? 70 GLY A O 1 ATOM 654 H H . GLY A 1 70 ? 34.590 31.262 36.327 1.00 13.84 ? 70 GLY A H 1 ATOM 655 N N . ASP A 1 71 ? 32.907 33.215 34.772 1.00 13.59 ? 71 ASP A N 1 ATOM 656 C CA . ASP A 1 71 ? 31.799 33.663 33.923 1.00 13.26 ? 71 ASP A CA 1 ATOM 657 C C . ASP A 1 71 ? 30.572 32.845 34.343 1.00 13.51 ? 71 ASP A C 1 ATOM 658 O O . ASP A 1 71 ? 30.099 31.972 33.610 1.00 11.52 ? 71 ASP A O 1 ATOM 659 C CB . ASP A 1 71 ? 32.155 33.434 32.449 1.00 13.39 ? 71 ASP A CB 1 ATOM 660 C CG . ASP A 1 71 ? 31.264 34.208 31.498 1.00 16.21 ? 71 ASP A CG 1 ATOM 661 O OD1 . ASP A 1 71 ? 30.162 34.656 31.885 1.00 17.63 ? 71 ASP A OD1 1 ATOM 662 O OD2 . ASP A 1 71 ? 31.672 34.364 30.335 1.00 16.20 ? 71 ASP A OD2 1 ATOM 663 H H . ASP A 1 71 ? 33.515 32.518 34.460 1.00 13.59 ? 71 ASP A H 1 ATOM 664 N N . THR A 1 72 ? 30.068 33.142 35.536 1.00 13.39 ? 72 THR A N 1 ATOM 665 C CA . THR A 1 72 ? 28.954 32.413 36.129 1.00 14.19 ? 72 THR A CA 1 ATOM 666 C C . THR A 1 72 ? 27.640 32.398 35.370 1.00 13.13 ? 72 THR A C 1 ATOM 667 O O . THR A 1 72 ? 26.846 31.472 35.535 1.00 13.65 ? 72 THR A O 1 ATOM 668 C CB . THR A 1 72 ? 28.709 32.873 37.581 1.00 16.79 ? 72 THR A CB 1 ATOM 669 O OG1 . THR A 1 72 ? 28.473 34.284 37.599 1.00 20.76 ? 72 THR A OG1 1 ATOM 670 C CG2 . THR A 1 72 ? 29.916 32.562 38.439 1.00 17.91 ? 72 THR A CG2 1 ATOM 671 H H . THR A 1 72 ? 30.464 33.894 36.040 1.00 13.39 ? 72 THR A H 1 ATOM 672 H HG1 . THR A 1 72 ? 29.333 34.751 37.655 1.00 20.76 ? 72 THR A HG1 1 ATOM 673 N N . ASP A 1 73 ? 27.416 33.410 34.539 1.00 13.71 ? 73 ASP A N 1 ATOM 674 C CA . ASP A 1 73 ? 26.195 33.508 33.739 1.00 15.14 ? 73 ASP A CA 1 ATOM 675 C C . ASP A 1 73 ? 26.036 32.375 32.718 1.00 13.25 ? 73 ASP A C 1 ATOM 676 O O . ASP A 1 73 ? 24.965 32.208 32.143 1.00 13.86 ? 73 ASP A O 1 ATOM 677 C CB . ASP A 1 73 ? 26.126 34.857 33.005 1.00 19.05 ? 73 ASP A CB 1 ATOM 678 C CG . ASP A 1 73 ? 25.875 36.037 33.948 1.00 26.35 ? 73 ASP A CG 1 ATOM 679 O OD1 . ASP A 1 73 ? 25.268 35.845 35.031 1.00 29.26 ? 73 ASP A OD1 1 ATOM 680 O OD2 . ASP A 1 73 ? 26.294 37.168 33.600 1.00 29.60 ? 73 ASP A OD2 1 ATOM 681 H H . ASP A 1 73 ? 28.081 34.133 34.476 1.00 13.71 ? 73 ASP A H 1 ATOM 682 N N . LEU A 1 74 ? 27.101 31.619 32.471 1.00 10.78 ? 74 LEU A N 1 ATOM 683 C CA . LEU A 1 74 ? 27.045 30.512 31.516 1.00 9.44 ? 74 LEU A CA 1 ATOM 684 C C . LEU A 1 74 ? 26.445 29.239 32.108 1.00 9.91 ? 74 LEU A C 1 ATOM 685 O O . LEU A 1 74 ? 26.208 28.270 31.388 1.00 9.83 ? 74 LEU A O 1 ATOM 686 C CB . LEU A 1 74 ? 28.455 30.201 31.000 1.00 7.44 ? 74 LEU A CB 1 ATOM 687 C CG . LEU A 1 74 ? 29.123 31.358 30.267 1.00 8.03 ? 74 LEU A CG 1 ATOM 688 C CD1 . LEU A 1 74 ? 30.590 31.012 29.979 1.00 9.86 ? 74 LEU A CD1 1 ATOM 689 C CD2 . LEU A 1 74 ? 28.360 31.659 28.980 1.00 10.92 ? 74 LEU A CD2 1 ATOM 690 H H . LEU A 1 74 ? 27.953 31.819 32.920 1.00 10.78 ? 74 LEU A H 1 ATOM 691 N N . LEU A 1 75 ? 26.186 29.243 33.413 1.00 8.66 ? 75 LEU A N 1 ATOM 692 C CA . LEU A 1 75 ? 25.652 28.067 34.087 1.00 9.29 ? 75 LEU A CA 1 ATOM 693 C C . LEU A 1 75 ? 24.441 27.406 33.407 1.00 8.52 ? 75 LEU A C 1 ATOM 694 O O . LEU A 1 75 ? 24.464 26.204 33.137 1.00 7.83 ? 75 LEU A O 1 ATOM 695 C CB . LEU A 1 75 ? 25.328 28.388 35.557 1.00 9.89 ? 75 LEU A CB 1 ATOM 696 C CG . LEU A 1 75 ? 24.678 27.272 36.384 1.00 12.62 ? 75 LEU A CG 1 ATOM 697 C CD1 . LEU A 1 75 ? 25.626 26.074 36.548 1.00 12.66 ? 75 LEU A CD1 1 ATOM 698 C CD2 . LEU A 1 75 ? 24.270 27.834 37.751 1.00 14.33 ? 75 LEU A CD2 1 ATOM 699 H H . LEU A 1 75 ? 26.354 30.053 33.942 1.00 8.66 ? 75 LEU A H 1 ATOM 700 N N A SER A 1 76 ? 23.413 28.192 33.100 0.75 7.71 ? 76 SER A N 1 ATOM 701 N N B SER A 1 76 ? 23.405 28.188 33.119 0.25 7.90 ? 76 SER A N 1 ATOM 702 C CA A SER A 1 76 ? 22.209 27.637 32.484 0.75 7.91 ? 76 SER A CA 1 ATOM 703 C CA B SER A 1 76 ? 22.202 27.651 32.486 0.25 7.53 ? 76 SER A CA 1 ATOM 704 C C A SER A 1 76 ? 22.483 26.997 31.130 0.75 7.14 ? 76 SER A C 1 ATOM 705 C C B SER A 1 76 ? 22.486 26.998 31.135 0.25 7.09 ? 76 SER A C 1 ATOM 706 O O A SER A 1 76 ? 21.908 25.955 30.802 0.75 6.74 ? 76 SER A O 1 ATOM 707 O O B SER A 1 76 ? 21.926 25.946 30.819 0.25 6.96 ? 76 SER A O 1 ATOM 708 C CB A SER A 1 76 ? 21.113 28.704 32.366 0.75 8.62 ? 76 SER A CB 1 ATOM 709 C CB B SER A 1 76 ? 21.151 28.748 32.318 0.25 7.64 ? 76 SER A CB 1 ATOM 710 O OG A SER A 1 76 ? 21.536 29.825 31.604 0.75 11.11 ? 76 SER A OG 1 ATOM 711 O OG B SER A 1 76 ? 20.824 29.334 33.565 0.25 7.90 ? 76 SER A OG 1 ATOM 712 H H A SER A 1 76 ? 23.440 29.158 33.287 0.75 7.71 ? 76 SER A H 1 ATOM 713 H H B SER A 1 76 ? 23.421 29.144 33.354 0.25 7.90 ? 76 SER A H 1 ATOM 714 H HG A SER A 1 76 ? 21.371 29.691 30.651 0.75 11.11 ? 76 SER A HG 1 ATOM 715 H HG B SER A 1 76 ? 20.565 28.644 34.205 0.25 7.90 ? 76 SER A HG 1 ATOM 716 N N . THR A 1 77 ? 23.357 27.620 30.348 1.00 6.49 ? 77 THR A N 1 ATOM 717 C CA . THR A 1 77 ? 23.717 27.106 29.034 1.00 6.56 ? 77 THR A CA 1 ATOM 718 C C . THR A 1 77 ? 24.325 25.707 29.165 1.00 5.45 ? 77 THR A C 1 ATOM 719 O O . THR A 1 77 ? 23.915 24.770 28.464 1.00 4.48 ? 77 THR A O 1 ATOM 720 C CB . THR A 1 77 ? 24.723 28.050 28.338 1.00 7.37 ? 77 THR A CB 1 ATOM 721 O OG1 . THR A 1 77 ? 24.103 29.320 28.113 1.00 9.38 ? 77 THR A OG1 1 ATOM 722 C CG2 . THR A 1 77 ? 25.177 27.473 26.998 1.00 8.69 ? 77 THR A CG2 1 ATOM 723 H H . THR A 1 77 ? 23.773 28.450 30.661 1.00 6.49 ? 77 THR A H 1 ATOM 724 H HG1 . THR A 1 77 ? 23.956 29.780 28.946 1.00 9.38 ? 77 THR A HG1 1 ATOM 725 N N . ILE A 1 78 ? 25.240 25.553 30.118 1.00 4.68 ? 78 ILE A N 1 ATOM 726 C CA . ILE A 1 78 ? 25.901 24.272 30.340 1.00 4.77 ? 78 ILE A CA 1 ATOM 727 C C . ILE A 1 78 ? 24.895 23.216 30.809 1.00 5.34 ? 78 ILE A C 1 ATOM 728 O O . ILE A 1 78 ? 24.902 22.087 30.319 1.00 4.43 ? 78 ILE A O 1 ATOM 729 C CB . ILE A 1 78 ? 27.083 24.415 31.327 1.00 5.35 ? 78 ILE A CB 1 ATOM 730 C CG1 . ILE A 1 78 ? 28.120 25.394 30.749 1.00 7.97 ? 78 ILE A CG1 1 ATOM 731 C CG2 . ILE A 1 78 ? 27.738 23.068 31.558 1.00 7.55 ? 78 ILE A CG2 1 ATOM 732 C CD1 . ILE A 1 78 ? 29.097 25.947 31.772 1.00 9.21 ? 78 ILE A CD1 1 ATOM 733 H H . ILE A 1 78 ? 25.487 26.311 30.693 1.00 4.68 ? 78 ILE A H 1 ATOM 734 N N . GLU A 1 79 ? 24.002 23.586 31.724 1.00 5.48 ? 79 GLU A N 1 ATOM 735 C CA . GLU A 1 79 ? 22.990 22.635 32.192 1.00 5.96 ? 79 GLU A CA 1 ATOM 736 C C . GLU A 1 79 ? 22.090 22.183 31.039 1.00 5.04 ? 79 GLU A C 1 ATOM 737 O O . GLU A 1 79 ? 21.785 20.998 30.915 1.00 4.67 ? 79 GLU A O 1 ATOM 738 C CB . GLU A 1 79 ? 22.121 23.250 33.288 1.00 8.12 ? 79 GLU A CB 1 ATOM 739 C CG . GLU A 1 79 ? 22.861 23.449 34.605 1.00 12.27 ? 79 GLU A CG 1 ATOM 740 C CD . GLU A 1 79 ? 21.983 24.057 35.678 1.00 16.34 ? 79 GLU A CD 1 ATOM 741 O OE1 . GLU A 1 79 ? 20.927 24.630 35.342 1.00 17.21 ? 79 GLU A OE1 1 ATOM 742 O OE2 . GLU A 1 79 ? 22.353 23.966 36.862 1.00 17.09 ? 79 GLU A OE2 1 ATOM 743 H H . GLU A 1 79 ? 24.024 24.487 32.104 1.00 5.48 ? 79 GLU A H 1 ATOM 744 N N . HIS A 1 80 ? 21.658 23.131 30.209 1.00 3.88 ? 80 HIS A N 1 ATOM 745 C CA . HIS A 1 80 ? 20.794 22.802 29.070 1.00 4.64 ? 80 HIS A CA 1 ATOM 746 C C . HIS A 1 80 ? 21.508 21.839 28.127 1.00 5.02 ? 80 HIS A C 1 ATOM 747 O O . HIS A 1 80 ? 20.905 20.888 27.636 1.00 6.14 ? 80 HIS A O 1 ATOM 748 C CB . HIS A 1 80 ? 20.371 24.062 28.316 1.00 4.85 ? 80 HIS A CB 1 ATOM 749 C CG . HIS A 1 80 ? 19.539 25.003 29.135 1.00 5.79 ? 80 HIS A CG 1 ATOM 750 N ND1 . HIS A 1 80 ? 19.308 26.306 28.761 1.00 6.63 ? 80 HIS A ND1 1 ATOM 751 C CD2 . HIS A 1 80 ? 18.930 24.839 30.334 1.00 7.64 ? 80 HIS A CD2 1 ATOM 752 C CE1 . HIS A 1 80 ? 18.598 26.914 29.697 1.00 7.02 ? 80 HIS A CE1 1 ATOM 753 N NE2 . HIS A 1 80 ? 18.357 26.045 30.662 1.00 5.90 ? 80 HIS A NE2 1 ATOM 754 H H . HIS A 1 80 ? 21.930 24.058 30.370 1.00 3.88 ? 80 HIS A H 1 ATOM 755 H HD1 . HIS A 1 80 ? 19.599 26.721 27.926 1.00 6.63 ? 80 HIS A HD1 1 ATOM 756 H HE2 . HIS A 1 80 ? 17.848 26.212 31.480 1.00 5.90 ? 80 HIS A HE2 1 ATOM 757 N N . TYR A 1 81 ? 22.803 22.053 27.911 1.00 3.85 ? 81 TYR A N 1 ATOM 758 C CA . TYR A 1 81 ? 23.567 21.169 27.034 1.00 3.55 ? 81 TYR A CA 1 ATOM 759 C C . TYR A 1 81 ? 23.592 19.738 27.567 1.00 3.93 ? 81 TYR A C 1 ATOM 760 O O . TYR A 1 81 ? 23.322 18.782 26.838 1.00 3.59 ? 81 TYR A O 1 ATOM 761 C CB . TYR A 1 81 ? 25.006 21.677 26.863 1.00 4.46 ? 81 TYR A CB 1 ATOM 762 C CG . TYR A 1 81 ? 25.945 20.656 26.240 1.00 5.00 ? 81 TYR A CG 1 ATOM 763 C CD1 . TYR A 1 81 ? 25.919 20.394 24.863 1.00 5.24 ? 81 TYR A CD1 1 ATOM 764 C CD2 . TYR A 1 81 ? 26.850 19.947 27.033 1.00 4.48 ? 81 TYR A CD2 1 ATOM 765 C CE1 . TYR A 1 81 ? 26.775 19.447 24.290 1.00 4.58 ? 81 TYR A CE1 1 ATOM 766 C CE2 . TYR A 1 81 ? 27.712 19.001 26.476 1.00 5.22 ? 81 TYR A CE2 1 ATOM 767 C CZ . TYR A 1 81 ? 27.671 18.756 25.109 1.00 5.76 ? 81 TYR A CZ 1 ATOM 768 O OH . TYR A 1 81 ? 28.530 17.826 24.580 1.00 7.03 ? 81 TYR A OH 1 ATOM 769 H H . TYR A 1 81 ? 23.256 22.816 28.341 1.00 3.85 ? 81 TYR A H 1 ATOM 770 H HH . TYR A 1 81 ? 28.369 17.725 23.638 1.00 7.03 ? 81 TYR A HH 1 ATOM 771 N N . ILE A 1 82 ? 23.897 19.583 28.849 1.00 4.19 ? 82 ILE A N 1 ATOM 772 C CA . ILE A 1 82 ? 23.956 18.260 29.442 1.00 5.08 ? 82 ILE A CA 1 ATOM 773 C C . ILE A 1 82 ? 22.594 17.566 29.358 1.00 5.57 ? 82 ILE A C 1 ATOM 774 O O . ILE A 1 82 ? 22.515 16.408 28.984 1.00 4.87 ? 82 ILE A O 1 ATOM 775 C CB . ILE A 1 82 ? 24.521 18.344 30.884 1.00 5.95 ? 82 ILE A CB 1 ATOM 776 C CG1 . ILE A 1 82 ? 26.013 18.708 30.782 1.00 8.26 ? 82 ILE A CG1 1 ATOM 777 C CG2 . ILE A 1 82 ? 24.304 17.030 31.637 1.00 4.38 ? 82 ILE A CG2 1 ATOM 778 C CD1 . ILE A 1 82 ? 26.665 19.113 32.064 1.00 12.45 ? 82 ILE A CD1 1 ATOM 779 H H . ILE A 1 82 ? 24.082 20.381 29.393 1.00 4.19 ? 82 ILE A H 1 ATOM 780 N N . SER A 1 83 ? 21.521 18.291 29.659 1.00 5.58 ? 83 SER A N 1 ATOM 781 C CA . SER A 1 83 ? 20.186 17.724 29.568 1.00 6.46 ? 83 SER A CA 1 ATOM 782 C C . SER A 1 83 ? 19.897 17.270 28.133 1.00 5.54 ? 83 SER A C 1 ATOM 783 O O . SER A 1 83 ? 19.369 16.177 27.922 1.00 5.86 ? 83 SER A O 1 ATOM 784 C CB . SER A 1 83 ? 19.141 18.754 30.013 1.00 8.32 ? 83 SER A CB 1 ATOM 785 O OG . SER A 1 83 ? 19.211 18.952 31.417 1.00 11.34 ? 83 SER A OG 1 ATOM 786 H H . SER A 1 83 ? 21.619 19.215 29.966 1.00 5.58 ? 83 SER A H 1 ATOM 787 H HG . SER A 1 83 ? 18.745 19.786 31.598 1.00 11.34 ? 83 SER A HG 1 ATOM 788 N N . SER A 1 84 ? 20.268 18.088 27.151 1.00 4.25 ? 84 SER A N 1 ATOM 789 C CA . SER A 1 84 ? 20.020 17.734 25.754 1.00 5.02 ? 84 SER A CA 1 ATOM 790 C C . SER A 1 84 ? 20.754 16.448 25.347 1.00 5.31 ? 84 SER A C 1 ATOM 791 O O . SER A 1 84 ? 20.230 15.637 24.582 1.00 4.50 ? 84 SER A O 1 ATOM 792 C CB . SER A 1 84 ? 20.384 18.892 24.804 1.00 6.72 ? 84 SER A CB 1 ATOM 793 O OG . SER A 1 84 ? 21.783 19.012 24.581 1.00 7.87 ? 84 SER A OG 1 ATOM 794 H H . SER A 1 84 ? 20.721 18.939 27.329 1.00 4.25 ? 84 SER A H 1 ATOM 795 H HG . SER A 1 84 ? 21.910 19.848 24.120 1.00 7.87 ? 84 SER A HG 1 ATOM 796 N N . GLN A 1 85 ? 21.942 16.237 25.901 1.00 4.71 ? 85 GLN A N 1 ATOM 797 C CA . GLN A 1 85 ? 22.729 15.054 25.555 1.00 4.14 ? 85 GLN A CA 1 ATOM 798 C C . GLN A 1 85 ? 22.187 13.765 26.143 1.00 4.74 ? 85 GLN A C 1 ATOM 799 O O . GLN A 1 85 ? 22.371 12.697 25.550 1.00 3.93 ? 85 GLN A O 1 ATOM 800 C CB . GLN A 1 85 ? 24.208 15.271 25.881 1.00 4.11 ? 85 GLN A CB 1 ATOM 801 C CG . GLN A 1 85 ? 24.802 16.483 25.143 1.00 3.73 ? 85 GLN A CG 1 ATOM 802 C CD . GLN A 1 85 ? 24.602 16.429 23.624 1.00 5.41 ? 85 GLN A CD 1 ATOM 803 O OE1 . GLN A 1 85 ? 25.165 15.568 22.939 1.00 5.63 ? 85 GLN A OE1 1 ATOM 804 N NE2 . GLN A 1 85 ? 23.787 17.338 23.099 1.00 3.85 ? 85 GLN A NE2 1 ATOM 805 H H . GLN A 1 85 ? 22.300 16.905 26.528 1.00 4.71 ? 85 GLN A H 1 ATOM 806 H HE21 . GLN A 1 85 ? 23.663 17.361 22.125 1.00 3.85 ? 85 GLN A HE21 1 ATOM 807 H HE22 . GLN A 1 85 ? 23.350 17.961 23.722 1.00 3.85 ? 85 GLN A HE22 1 ATOM 808 N N . ALA A 1 86 ? 21.486 13.854 27.277 1.00 3.55 ? 86 ALA A N 1 ATOM 809 C CA . ALA A 1 86 ? 20.855 12.670 27.866 1.00 4.74 ? 86 ALA A CA 1 ATOM 810 C C . ALA A 1 86 ? 19.842 12.121 26.832 1.00 5.50 ? 86 ALA A C 1 ATOM 811 O O . ALA A 1 86 ? 19.679 10.901 26.683 1.00 6.25 ? 86 ALA A O 1 ATOM 812 C CB . ALA A 1 86 ? 20.151 13.033 29.163 1.00 5.85 ? 86 ALA A CB 1 ATOM 813 H H . ALA A 1 86 ? 21.423 14.723 27.732 1.00 3.55 ? 86 ALA A H 1 ATOM 814 N N A ILE A 1 87 ? 19.176 13.031 26.125 0.58 4.84 ? 87 ILE A N 1 ATOM 815 N N B ILE A 1 87 ? 19.185 13.041 26.126 0.42 5.20 ? 87 ILE A N 1 ATOM 816 C CA A ILE A 1 87 ? 18.208 12.658 25.096 0.58 6.42 ? 87 ILE A CA 1 ATOM 817 C CA B ILE A 1 87 ? 18.211 12.702 25.092 0.42 6.39 ? 87 ILE A CA 1 ATOM 818 C C A ILE A 1 87 ? 18.925 12.176 23.831 0.58 5.58 ? 87 ILE A C 1 ATOM 819 C C B ILE A 1 87 ? 18.927 12.183 23.843 0.42 5.76 ? 87 ILE A C 1 ATOM 820 O O A ILE A 1 87 ? 18.634 11.084 23.328 0.58 6.13 ? 87 ILE A O 1 ATOM 821 O O B ILE A 1 87 ? 18.649 11.075 23.373 0.42 6.38 ? 87 ILE A O 1 ATOM 822 C CB A ILE A 1 87 ? 17.277 13.843 24.741 0.58 7.19 ? 87 ILE A CB 1 ATOM 823 C CB B ILE A 1 87 ? 17.363 13.942 24.681 0.42 7.05 ? 87 ILE A CB 1 ATOM 824 C CG1 A ILE A 1 87 ? 16.448 14.234 25.965 0.58 7.76 ? 87 ILE A CG1 1 ATOM 825 C CG1 B ILE A 1 87 ? 16.555 14.461 25.874 0.42 7.54 ? 87 ILE A CG1 1 ATOM 826 C CG2 A ILE A 1 87 ? 16.371 13.483 23.556 0.58 7.99 ? 87 ILE A CG2 1 ATOM 827 C CG2 B ILE A 1 87 ? 16.443 13.601 23.504 0.42 7.56 ? 87 ILE A CG2 1 ATOM 828 C CD1 A ILE A 1 87 ? 15.626 15.480 25.772 0.58 7.71 ? 87 ILE A CD1 1 ATOM 829 C CD1 B ILE A 1 87 ? 15.516 13.491 26.381 0.42 7.61 ? 87 ILE A CD1 1 ATOM 830 H H A ILE A 1 87 ? 19.339 13.981 26.305 0.58 4.84 ? 87 ILE A H 1 ATOM 831 H H B ILE A 1 87 ? 19.362 13.987 26.316 0.42 5.20 ? 87 ILE A H 1 ATOM 832 N N . ILE A 1 88 ? 19.853 12.985 23.321 1.00 5.51 ? 88 ILE A N 1 ATOM 833 C CA . ILE A 1 88 ? 20.611 12.637 22.106 1.00 5.33 ? 88 ILE A CA 1 ATOM 834 C C . ILE A 1 88 ? 21.257 11.238 22.159 1.00 4.83 ? 88 ILE A C 1 ATOM 835 O O . ILE A 1 88 ? 21.202 10.495 21.179 1.00 4.76 ? 88 ILE A O 1 ATOM 836 C CB . ILE A 1 88 ? 21.692 13.721 21.780 1.00 6.27 ? 88 ILE A CB 1 ATOM 837 C CG1 . ILE A 1 88 ? 21.041 15.008 21.270 1.00 10.32 ? 88 ILE A CG1 1 ATOM 838 C CG2 . ILE A 1 88 ? 22.688 13.222 20.757 1.00 7.23 ? 88 ILE A CG2 1 ATOM 839 C CD1 . ILE A 1 88 ? 20.421 14.877 19.911 1.00 12.54 ? 88 ILE A CD1 1 ATOM 840 H H . ILE A 1 88 ? 20.035 13.841 23.760 1.00 5.51 ? 88 ILE A H 1 ATOM 841 N N . GLN A 1 89 ? 21.849 10.869 23.298 1.00 4.38 ? 89 GLN A N 1 ATOM 842 C CA . GLN A 1 89 ? 22.482 9.551 23.436 1.00 3.96 ? 89 GLN A CA 1 ATOM 843 C C . GLN A 1 89 ? 21.544 8.380 23.111 1.00 5.28 ? 89 GLN A C 1 ATOM 844 O O . GLN A 1 89 ? 21.991 7.345 22.596 1.00 5.71 ? 89 GLN A O 1 ATOM 845 C CB . GLN A 1 89 ? 23.023 9.355 24.858 1.00 3.00 ? 89 GLN A CB 1 ATOM 846 C CG . GLN A 1 89 ? 24.323 10.101 25.151 1.00 3.00 ? 89 GLN A CG 1 ATOM 847 C CD . GLN A 1 89 ? 24.928 9.701 26.493 1.00 5.40 ? 89 GLN A CD 1 ATOM 848 O OE1 . GLN A 1 89 ? 24.263 9.082 27.326 1.00 5.90 ? 89 GLN A OE1 1 ATOM 849 N NE2 . GLN A 1 89 ? 26.193 10.039 26.700 1.00 5.08 ? 89 GLN A NE2 1 ATOM 850 H H . GLN A 1 89 ? 21.873 11.481 24.061 1.00 4.38 ? 89 GLN A H 1 ATOM 851 H HE21 . GLN A 1 89 ? 26.617 9.805 27.554 1.00 5.08 ? 89 GLN A HE21 1 ATOM 852 H HE22 . GLN A 1 89 ? 26.689 10.513 25.997 1.00 5.08 ? 89 GLN A HE22 1 ATOM 853 N N . GLY A 1 90 ? 20.259 8.551 23.429 1.00 5.87 ? 90 GLY A N 1 ATOM 854 C CA . GLY A 1 90 ? 19.273 7.507 23.202 1.00 6.41 ? 90 GLY A CA 1 ATOM 855 C C . GLY A 1 90 ? 18.573 7.530 21.858 1.00 7.88 ? 90 GLY A C 1 ATOM 856 O O . GLY A 1 90 ? 17.787 6.628 21.556 1.00 8.29 ? 90 GLY A O 1 ATOM 857 H H . GLY A 1 90 ? 19.928 9.398 23.803 1.00 5.87 ? 90 GLY A H 1 ATOM 858 N N . VAL A 1 91 ? 18.860 8.537 21.042 1.00 5.63 ? 91 VAL A N 1 ATOM 859 C CA . VAL A 1 91 ? 18.234 8.647 19.726 1.00 7.75 ? 91 VAL A CA 1 ATOM 860 C C . VAL A 1 91 ? 18.761 7.596 18.742 1.00 7.93 ? 91 VAL A C 1 ATOM 861 O O . VAL A 1 91 ? 19.967 7.545 18.457 1.00 9.35 ? 91 VAL A O 1 ATOM 862 C CB . VAL A 1 91 ? 18.436 10.067 19.121 1.00 7.08 ? 91 VAL A CB 1 ATOM 863 C CG1 . VAL A 1 91 ? 17.874 10.135 17.695 1.00 9.45 ? 91 VAL A CG1 1 ATOM 864 C CG2 . VAL A 1 91 ? 17.764 11.122 20.006 1.00 8.44 ? 91 VAL A CG2 1 ATOM 865 H H . VAL A 1 91 ? 19.507 9.217 21.330 1.00 5.63 ? 91 VAL A H 1 ATOM 866 N N A SER A 1 92 ? 17.871 6.728 18.267 0.63 7.52 ? 92 SER A N 1 ATOM 867 N N B SER A 1 92 ? 17.864 6.742 18.254 0.37 7.48 ? 92 SER A N 1 ATOM 868 C CA A SER A 1 92 ? 18.241 5.697 17.297 0.63 7.97 ? 92 SER A CA 1 ATOM 869 C CA B SER A 1 92 ? 18.228 5.718 17.278 0.37 7.52 ? 92 SER A CA 1 ATOM 870 C C A SER A 1 92 ? 18.635 6.454 16.024 0.63 7.46 ? 92 SER A C 1 ATOM 871 C C B SER A 1 92 ? 18.639 6.471 16.018 0.37 7.19 ? 92 SER A C 1 ATOM 872 O O A SER A 1 92 ? 17.913 7.348 15.584 0.63 7.85 ? 92 SER A O 1 ATOM 873 O O B SER A 1 92 ? 17.925 7.370 15.571 0.37 7.41 ? 92 SER A O 1 ATOM 874 C CB A SER A 1 92 ? 17.044 4.785 17.019 0.63 9.44 ? 92 SER A CB 1 ATOM 875 C CB B SER A 1 92 ? 17.024 4.831 16.967 0.37 8.20 ? 92 SER A CB 1 ATOM 876 O OG A SER A 1 92 ? 17.410 3.673 16.217 0.63 11.63 ? 92 SER A OG 1 ATOM 877 O OG B SER A 1 92 ? 16.570 4.162 18.125 0.37 8.95 ? 92 SER A OG 1 ATOM 878 H H A SER A 1 92 ? 16.934 6.784 18.563 0.63 7.52 ? 92 SER A H 1 ATOM 879 H H B SER A 1 92 ? 16.925 6.773 18.554 0.37 7.48 ? 92 SER A H 1 ATOM 880 H HG A SER A 1 92 ? 17.451 2.870 16.761 0.63 11.63 ? 92 SER A HG 1 ATOM 881 H HG B SER A 1 92 ? 17.256 3.562 18.455 0.37 8.95 ? 92 SER A HG 1 ATOM 882 N N . ASN A 1 93 ? 19.776 6.113 15.441 1.00 6.76 ? 93 ASN A N 1 ATOM 883 C CA . ASN A 1 93 ? 20.248 6.806 14.247 1.00 5.54 ? 93 ASN A CA 1 ATOM 884 C C . ASN A 1 93 ? 20.987 5.831 13.325 1.00 5.32 ? 93 ASN A C 1 ATOM 885 O O . ASN A 1 93 ? 21.113 4.647 13.650 1.00 5.33 ? 93 ASN A O 1 ATOM 886 C CB . ASN A 1 93 ? 21.125 7.995 14.687 1.00 6.13 ? 93 ASN A CB 1 ATOM 887 C CG . ASN A 1 93 ? 22.372 7.552 15.430 1.00 6.23 ? 93 ASN A CG 1 ATOM 888 O OD1 . ASN A 1 93 ? 23.229 6.884 14.851 1.00 5.03 ? 93 ASN A OD1 1 ATOM 889 N ND2 . ASN A 1 93 ? 22.476 7.904 16.714 1.00 5.31 ? 93 ASN A ND2 1 ATOM 890 H H . ASN A 1 93 ? 20.310 5.383 15.820 1.00 6.76 ? 93 ASN A H 1 ATOM 891 H HD21 . ASN A 1 93 ? 23.293 7.657 17.204 1.00 5.31 ? 93 ASN A HD21 1 ATOM 892 H HD22 . ASN A 1 93 ? 21.749 8.409 17.133 1.00 5.31 ? 93 ASN A HD22 1 ATOM 893 N N . PRO A 1 94 ? 21.446 6.290 12.148 1.00 5.04 ? 94 PRO A N 1 ATOM 894 C CA . PRO A 1 94 ? 22.150 5.390 11.227 1.00 5.04 ? 94 PRO A CA 1 ATOM 895 C C . PRO A 1 94 ? 23.382 4.651 11.781 1.00 6.11 ? 94 PRO A C 1 ATOM 896 O O . PRO A 1 94 ? 23.745 3.590 11.268 1.00 6.13 ? 94 PRO A O 1 ATOM 897 C CB . PRO A 1 94 ? 22.476 6.295 10.044 1.00 6.59 ? 94 PRO A CB 1 ATOM 898 C CG . PRO A 1 94 ? 21.331 7.276 10.051 1.00 7.09 ? 94 PRO A CG 1 ATOM 899 C CD . PRO A 1 94 ? 21.225 7.604 11.521 1.00 5.59 ? 94 PRO A CD 1 ATOM 900 N N . SER A 1 95 ? 24.008 5.184 12.831 1.00 5.15 ? 95 SER A N 1 ATOM 901 C CA . SER A 1 95 ? 25.160 4.507 13.442 1.00 5.44 ? 95 SER A CA 1 ATOM 902 C C . SER A 1 95 ? 24.725 3.430 14.450 1.00 6.11 ? 95 SER A C 1 ATOM 903 O O . SER A 1 95 ? 25.530 2.595 14.859 1.00 7.21 ? 95 SER A O 1 ATOM 904 C CB . SER A 1 95 ? 26.107 5.515 14.097 1.00 4.52 ? 95 SER A CB 1 ATOM 905 O OG . SER A 1 95 ? 26.709 6.346 13.116 1.00 5.32 ? 95 SER A OG 1 ATOM 906 H H . SER A 1 95 ? 23.723 6.041 13.215 1.00 5.15 ? 95 SER A H 1 ATOM 907 H HG . SER A 1 95 ? 25.986 6.839 12.735 1.00 5.32 ? 95 SER A HG 1 ATOM 908 N N . GLY A 1 96 ? 23.449 3.446 14.837 1.00 5.54 ? 96 GLY A N 1 ATOM 909 C CA . GLY A 1 96 ? 22.925 2.465 15.774 1.00 5.43 ? 96 GLY A CA 1 ATOM 910 C C . GLY A 1 96 ? 22.145 3.104 16.907 1.00 6.12 ? 96 GLY A C 1 ATOM 911 O O . GLY A 1 96 ? 21.698 4.256 16.805 1.00 5.39 ? 96 GLY A O 1 ATOM 912 H H . GLY A 1 96 ? 22.840 4.142 14.521 1.00 5.54 ? 96 GLY A H 1 ATOM 913 N N . ASP A 1 97 ? 21.977 2.340 17.983 1.00 7.63 ? 97 ASP A N 1 ATOM 914 C CA . ASP A 1 97 ? 21.270 2.787 19.188 1.00 8.97 ? 97 ASP A CA 1 ATOM 915 C C . ASP A 1 97 ? 22.309 3.066 20.264 1.00 7.31 ? 97 ASP A C 1 ATOM 916 O O . ASP A 1 97 ? 23.504 2.863 20.048 1.00 6.29 ? 97 ASP A O 1 ATOM 917 C CB . ASP A 1 97 ? 20.326 1.688 19.707 1.00 15.82 ? 97 ASP A CB 1 ATOM 918 C CG . ASP A 1 97 ? 19.273 1.295 18.694 1.00 24.70 ? 97 ASP A CG 1 ATOM 919 O OD1 . ASP A 1 97 ? 18.642 2.200 18.111 1.00 27.40 ? 97 ASP A OD1 1 ATOM 920 O OD2 . ASP A 1 97 ? 19.080 0.079 18.464 1.00 31.62 ? 97 ASP A OD2 1 ATOM 921 H H . ASP A 1 97 ? 22.338 1.427 17.987 1.00 7.63 ? 97 ASP A H 1 ATOM 922 N N . LEU A 1 98 ? 21.845 3.427 21.453 1.00 5.45 ? 98 LEU A N 1 ATOM 923 C CA . LEU A 1 98 ? 22.739 3.729 22.566 1.00 6.36 ? 98 LEU A CA 1 ATOM 924 C C . LEU A 1 98 ? 23.830 2.674 22.801 1.00 5.95 ? 98 LEU A C 1 ATOM 925 O O . LEU A 1 98 ? 25.022 3.008 22.911 1.00 7.45 ? 98 LEU A O 1 ATOM 926 C CB . LEU A 1 98 ? 21.926 3.921 23.849 1.00 7.93 ? 98 LEU A CB 1 ATOM 927 C CG . LEU A 1 98 ? 22.733 4.014 25.151 1.00 10.56 ? 98 LEU A CG 1 ATOM 928 C CD1 . LEU A 1 98 ? 23.570 5.270 25.168 1.00 12.89 ? 98 LEU A CD1 1 ATOM 929 C CD2 . LEU A 1 98 ? 21.787 3.987 26.337 1.00 14.27 ? 98 LEU A CD2 1 ATOM 930 H H . LEU A 1 98 ? 20.870 3.494 21.577 1.00 5.45 ? 98 LEU A H 1 ATOM 931 N N . SER A 1 99 ? 23.439 1.402 22.854 1.00 5.87 ? 99 SER A N 1 ATOM 932 C CA . SER A 1 99 ? 24.406 0.340 23.123 1.00 7.72 ? 99 SER A CA 1 ATOM 933 C C . SER A 1 99 ? 24.940 -0.381 21.896 1.00 7.68 ? 99 SER A C 1 ATOM 934 O O . SER A 1 99 ? 25.745 -1.300 22.029 1.00 9.78 ? 99 SER A O 1 ATOM 935 C CB . SER A 1 99 ? 23.782 -0.695 24.061 1.00 9.87 ? 99 SER A CB 1 ATOM 936 O OG . SER A 1 99 ? 22.740 -1.393 23.400 1.00 13.82 ? 99 SER A OG 1 ATOM 937 H H . SER A 1 99 ? 22.492 1.172 22.720 1.00 5.87 ? 99 SER A H 1 ATOM 938 H HG . SER A 1 99 ? 23.150 -2.217 23.067 1.00 13.82 ? 99 SER A HG 1 ATOM 939 N N . SER A 1 100 ? 24.534 0.045 20.707 1.00 6.99 ? 100 SER A N 1 ATOM 940 C CA . SER A 1 100 ? 24.965 -0.658 19.511 1.00 6.72 ? 100 SER A CA 1 ATOM 941 C C . SER A 1 100 ? 25.702 0.185 18.482 1.00 7.75 ? 100 SER A C 1 ATOM 942 O O . SER A 1 100 ? 25.695 -0.145 17.298 1.00 9.28 ? 100 SER A O 1 ATOM 943 C CB . SER A 1 100 ? 23.768 -1.373 18.877 1.00 8.19 ? 100 SER A CB 1 ATOM 944 O OG . SER A 1 100 ? 22.724 -0.461 18.586 1.00 7.93 ? 100 SER A OG 1 ATOM 945 H H . SER A 1 100 ? 23.946 0.825 20.611 1.00 6.99 ? 100 SER A H 1 ATOM 946 H HG . SER A 1 100 ? 21.921 -0.973 18.394 1.00 7.93 ? 100 SER A HG 1 ATOM 947 N N . GLY A 1 101 ? 26.292 1.291 18.929 1.00 6.82 ? 101 GLY A N 1 ATOM 948 C CA . GLY A 1 101 ? 27.065 2.141 18.034 1.00 6.48 ? 101 GLY A CA 1 ATOM 949 C C . GLY A 1 101 ? 26.536 3.539 17.770 1.00 5.73 ? 101 GLY A C 1 ATOM 950 O O . GLY A 1 101 ? 27.226 4.377 17.177 1.00 5.09 ? 101 GLY A O 1 ATOM 951 H H . GLY A 1 101 ? 26.234 1.552 19.873 1.00 6.82 ? 101 GLY A H 1 ATOM 952 N N . GLY A 1 102 ? 25.330 3.817 18.244 1.00 4.43 ? 103 GLY A N 1 ATOM 953 C CA . GLY A 1 102 ? 24.726 5.114 18.005 1.00 4.04 ? 103 GLY A CA 1 ATOM 954 C C . GLY A 1 102 ? 25.487 6.334 18.476 1.00 4.46 ? 103 GLY A C 1 ATOM 955 O O . GLY A 1 102 ? 25.324 7.418 17.910 1.00 3.88 ? 103 GLY A O 1 ATOM 956 H H . GLY A 1 102 ? 24.855 3.141 18.768 1.00 4.43 ? 103 GLY A H 1 ATOM 957 N N . LEU A 1 103 ? 26.316 6.170 19.501 1.00 3.00 ? 104 LEU A N 1 ATOM 958 C CA . LEU A 1 103 ? 27.073 7.296 20.036 1.00 3.48 ? 104 LEU A CA 1 ATOM 959 C C . LEU A 1 103 ? 28.112 7.875 19.069 1.00 4.16 ? 104 LEU A C 1 ATOM 960 O O . LEU A 1 103 ? 28.550 9.022 19.236 1.00 4.21 ? 104 LEU A O 1 ATOM 961 C CB . LEU A 1 103 ? 27.715 6.916 21.378 1.00 3.79 ? 104 LEU A CB 1 ATOM 962 C CG . LEU A 1 103 ? 26.735 6.410 22.452 1.00 5.54 ? 104 LEU A CG 1 ATOM 963 C CD1 . LEU A 1 103 ? 27.517 6.040 23.704 1.00 7.13 ? 104 LEU A CD1 1 ATOM 964 C CD2 . LEU A 1 103 ? 25.672 7.462 22.774 1.00 5.92 ? 104 LEU A CD2 1 ATOM 965 H H . LEU A 1 103 ? 26.392 5.283 19.904 1.00 3.00 ? 104 LEU A H 1 ATOM 966 N N . GLY A 1 104 ? 28.485 7.096 18.052 1.00 4.88 ? 105 GLY A N 1 ATOM 967 C CA . GLY A 1 104 ? 29.457 7.558 17.068 1.00 5.13 ? 105 GLY A CA 1 ATOM 968 C C . GLY A 1 104 ? 28.873 8.404 15.935 1.00 5.79 ? 105 GLY A C 1 ATOM 969 O O . GLY A 1 104 ? 29.609 8.856 15.056 1.00 4.83 ? 105 GLY A O 1 ATOM 970 H H . GLY A 1 104 ? 28.097 6.203 17.944 1.00 4.88 ? 105 GLY A H 1 ATOM 971 N N . GLU A 1 105 ? 27.559 8.627 15.951 1.00 3.74 ? 106 GLU A N 1 ATOM 972 C CA . GLU A 1 105 ? 26.885 9.414 14.913 1.00 3.41 ? 106 GLU A CA 1 ATOM 973 C C . GLU A 1 105 ? 27.435 10.846 14.914 1.00 3.57 ? 106 GLU A C 1 ATOM 974 O O . GLU A 1 105 ? 27.486 11.499 15.959 1.00 4.37 ? 106 GLU A O 1 ATOM 975 C CB . GLU A 1 105 ? 25.376 9.396 15.168 1.00 3.25 ? 106 GLU A CB 1 ATOM 976 C CG . GLU A 1 105 ? 24.538 10.144 14.143 1.00 6.10 ? 106 GLU A CG 1 ATOM 977 C CD . GLU A 1 105 ? 24.509 9.507 12.746 1.00 8.28 ? 106 GLU A CD 1 ATOM 978 O OE1 . GLU A 1 105 ? 25.184 8.486 12.487 1.00 6.13 ? 106 GLU A OE1 1 ATOM 979 O OE2 . GLU A 1 105 ? 23.806 10.060 11.880 1.00 7.57 ? 106 GLU A OE2 1 ATOM 980 H H . GLU A 1 105 ? 27.006 8.283 16.684 1.00 3.74 ? 106 GLU A H 1 ATOM 981 N N . PRO A 1 106 ? 27.851 11.354 13.744 1.00 3.51 ? 107 PRO A N 1 ATOM 982 C CA . PRO A 1 106 ? 28.413 12.710 13.647 1.00 3.17 ? 107 PRO A CA 1 ATOM 983 C C . PRO A 1 106 ? 27.501 13.899 13.949 1.00 3.77 ? 107 PRO A C 1 ATOM 984 O O . PRO A 1 106 ? 27.891 14.819 14.682 1.00 3.48 ? 107 PRO A O 1 ATOM 985 C CB . PRO A 1 106 ? 28.917 12.779 12.201 1.00 4.82 ? 107 PRO A CB 1 ATOM 986 C CG . PRO A 1 106 ? 29.174 11.338 11.842 1.00 4.56 ? 107 PRO A CG 1 ATOM 987 C CD . PRO A 1 106 ? 28.005 10.627 12.471 1.00 3.90 ? 107 PRO A CD 1 ATOM 988 N N . LYS A 1 107 ? 26.318 13.919 13.350 1.00 3.36 ? 108 LYS A N 1 ATOM 989 C CA . LYS A 1 107 ? 25.431 15.054 13.544 1.00 3.64 ? 108 LYS A CA 1 ATOM 990 C C . LYS A 1 107 ? 23.964 14.658 13.653 1.00 3.72 ? 108 LYS A C 1 ATOM 991 O O . LYS A 1 107 ? 23.578 13.528 13.307 1.00 4.32 ? 108 LYS A O 1 ATOM 992 C CB . LYS A 1 107 ? 25.617 16.075 12.411 1.00 5.15 ? 108 LYS A CB 1 ATOM 993 C CG . LYS A 1 107 ? 25.074 15.640 11.044 1.00 6.36 ? 108 LYS A CG 1 ATOM 994 C CD . LYS A 1 107 ? 25.254 16.750 10.014 1.00 7.03 ? 108 LYS A CD 1 ATOM 995 C CE . LYS A 1 107 ? 24.528 16.436 8.711 1.00 8.28 ? 108 LYS A CE 1 ATOM 996 N NZ . LYS A 1 107 ? 24.658 17.529 7.708 1.00 9.41 ? 108 LYS A NZ 1 ATOM 997 H H . LYS A 1 107 ? 26.014 13.180 12.779 1.00 3.36 ? 108 LYS A H 1 ATOM 998 H HZ1 . LYS A 1 107 ? 24.276 18.421 8.065 1.00 9.41 ? 108 LYS A HZ1 1 ATOM 999 H HZ2 . LYS A 1 107 ? 25.648 17.721 7.458 1.00 9.41 ? 108 LYS A HZ2 1 ATOM 1000 H HZ3 . LYS A 1 107 ? 24.137 17.295 6.837 1.00 9.41 ? 108 LYS A HZ3 1 ATOM 1001 N N . PHE A 1 108 ? 23.175 15.595 14.164 1.00 3.82 ? 109 PHE A N 1 ATOM 1002 C CA . PHE A 1 108 ? 21.742 15.414 14.358 1.00 4.12 ? 109 PHE A CA 1 ATOM 1003 C C . PHE A 1 108 ? 21.046 16.697 13.927 1.00 3.78 ? 109 PHE A C 1 ATOM 1004 O O . PHE A 1 108 ? 21.679 17.743 13.779 1.00 4.92 ? 109 PHE A O 1 ATOM 1005 C CB . PHE A 1 108 ? 21.450 15.195 15.851 1.00 4.90 ? 109 PHE A CB 1 ATOM 1006 C CG . PHE A 1 108 ? 22.089 13.961 16.420 1.00 5.81 ? 109 PHE A CG 1 ATOM 1007 C CD1 . PHE A 1 108 ? 23.406 13.986 16.872 1.00 5.45 ? 109 PHE A CD1 1 ATOM 1008 C CD2 . PHE A 1 108 ? 21.379 12.762 16.481 1.00 6.91 ? 109 PHE A CD2 1 ATOM 1009 C CE1 . PHE A 1 108 ? 24.010 12.827 17.374 1.00 6.45 ? 109 PHE A CE1 1 ATOM 1010 C CE2 . PHE A 1 108 ? 21.977 11.599 16.985 1.00 7.49 ? 109 PHE A CE2 1 ATOM 1011 C CZ . PHE A 1 108 ? 23.295 11.641 17.428 1.00 6.45 ? 109 PHE A CZ 1 ATOM 1012 H H . PHE A 1 108 ? 23.556 16.460 14.425 1.00 3.82 ? 109 PHE A H 1 ATOM 1013 N N . ASN A 1 109 ? 19.734 16.624 13.730 1.00 4.89 ? 110 ASN A N 1 ATOM 1014 C CA . ASN A 1 109 ? 18.963 17.815 13.393 1.00 4.20 ? 110 ASN A CA 1 ATOM 1015 C C . ASN A 1 109 ? 18.846 18.636 14.681 1.00 5.28 ? 110 ASN A C 1 ATOM 1016 O O . ASN A 1 109 ? 18.935 18.084 15.787 1.00 4.94 ? 110 ASN A O 1 ATOM 1017 C CB . ASN A 1 109 ? 17.587 17.411 12.868 1.00 4.58 ? 110 ASN A CB 1 ATOM 1018 C CG . ASN A 1 109 ? 17.668 16.833 11.485 1.00 6.84 ? 110 ASN A CG 1 ATOM 1019 O OD1 . ASN A 1 109 ? 18.184 17.481 10.584 1.00 9.71 ? 110 ASN A OD1 1 ATOM 1020 N ND2 . ASN A 1 109 ? 17.197 15.609 11.308 1.00 7.95 ? 110 ASN A ND2 1 ATOM 1021 H H . ASN A 1 109 ? 19.287 15.762 13.860 1.00 4.89 ? 110 ASN A H 1 ATOM 1022 H HD21 . ASN A 1 109 ? 17.263 15.227 10.404 1.00 7.95 ? 110 ASN A HD21 1 ATOM 1023 H HD22 . ASN A 1 109 ? 16.804 15.134 12.072 1.00 7.95 ? 110 ASN A HD22 1 ATOM 1024 N N . VAL A 1 110 ? 18.642 19.943 14.549 1.00 5.69 ? 111 VAL A N 1 ATOM 1025 C CA . VAL A 1 110 ? 18.571 20.824 15.722 1.00 7.18 ? 111 VAL A CA 1 ATOM 1026 C C . VAL A 1 110 ? 17.398 20.579 16.676 1.00 7.52 ? 111 VAL A C 1 ATOM 1027 O O . VAL A 1 110 ? 17.408 21.066 17.803 1.00 8.06 ? 111 VAL A O 1 ATOM 1028 C CB . VAL A 1 110 ? 18.659 22.324 15.330 1.00 7.33 ? 111 VAL A CB 1 ATOM 1029 C CG1 . VAL A 1 110 ? 19.919 22.573 14.506 1.00 7.85 ? 111 VAL A CG1 1 ATOM 1030 C CG2 . VAL A 1 110 ? 17.416 22.769 14.555 1.00 8.86 ? 111 VAL A CG2 1 ATOM 1031 H H . VAL A 1 110 ? 18.536 20.309 13.633 1.00 5.69 ? 111 VAL A H 1 ATOM 1032 N N . ASP A 1 111 ? 16.403 19.822 16.217 1.00 6.30 ? 112 ASP A N 1 ATOM 1033 C CA . ASP A 1 111 ? 15.229 19.475 17.016 1.00 7.27 ? 112 ASP A CA 1 ATOM 1034 C C . ASP A 1 111 ? 15.420 18.121 17.739 1.00 7.00 ? 112 ASP A C 1 ATOM 1035 O O . ASP A 1 111 ? 14.474 17.567 18.312 1.00 7.35 ? 112 ASP A O 1 ATOM 1036 C CB . ASP A 1 111 ? 13.972 19.459 16.122 1.00 7.74 ? 112 ASP A CB 1 ATOM 1037 C CG . ASP A 1 111 ? 14.074 18.469 14.961 1.00 11.09 ? 112 ASP A CG 1 ATOM 1038 O OD1 . ASP A 1 111 ? 15.064 17.712 14.885 1.00 7.22 ? 112 ASP A OD1 1 ATOM 1039 O OD2 . ASP A 1 111 ? 13.157 18.439 14.115 1.00 11.54 ? 112 ASP A OD2 1 ATOM 1040 H H . ASP A 1 111 ? 16.457 19.472 15.307 1.00 6.30 ? 112 ASP A H 1 ATOM 1041 N N . GLU A 1 112 ? 16.658 17.615 17.694 1.00 6.65 ? 113 GLU A N 1 ATOM 1042 C CA . GLU A 1 112 ? 17.084 16.357 18.318 1.00 7.24 ? 113 GLU A CA 1 ATOM 1043 C C . GLU A 1 112 ? 16.667 15.067 17.609 1.00 8.66 ? 113 GLU A C 1 ATOM 1044 O O . GLU A 1 112 ? 16.731 13.978 18.182 1.00 11.06 ? 113 GLU A O 1 ATOM 1045 C CB . GLU A 1 112 ? 16.744 16.338 19.820 1.00 8.03 ? 113 GLU A CB 1 ATOM 1046 C CG . GLU A 1 112 ? 17.296 17.585 20.542 1.00 8.85 ? 113 GLU A CG 1 ATOM 1047 C CD . GLU A 1 112 ? 17.017 17.637 22.037 1.00 10.40 ? 113 GLU A CD 1 ATOM 1048 O OE1 . GLU A 1 112 ? 16.312 16.761 22.580 1.00 15.26 ? 113 GLU A OE1 1 ATOM 1049 O OE2 . GLU A 1 112 ? 17.511 18.576 22.688 1.00 9.22 ? 113 GLU A OE2 1 ATOM 1050 H H . GLU A 1 112 ? 17.358 18.113 17.220 1.00 6.65 ? 113 GLU A H 1 ATOM 1051 N N . THR A 1 113 ? 16.244 15.183 16.355 1.00 6.90 ? 114 THR A N 1 ATOM 1052 C CA . THR A 1 113 ? 15.878 13.998 15.584 1.00 7.48 ? 114 THR A CA 1 ATOM 1053 C C . THR A 1 113 ? 17.132 13.554 14.814 1.00 6.44 ? 114 THR A C 1 ATOM 1054 O O . THR A 1 113 ? 18.063 14.341 14.603 1.00 6.87 ? 114 THR A O 1 ATOM 1055 C CB . THR A 1 113 ? 14.719 14.264 14.578 1.00 6.06 ? 114 THR A CB 1 ATOM 1056 O OG1 . THR A 1 113 ? 15.092 15.297 13.658 1.00 6.47 ? 114 THR A OG1 1 ATOM 1057 C CG2 . THR A 1 113 ? 13.446 14.703 15.317 1.00 7.90 ? 114 THR A CG2 1 ATOM 1058 H H . THR A 1 113 ? 16.198 16.060 15.931 1.00 6.90 ? 114 THR A H 1 ATOM 1059 H HG1 . THR A 1 113 ? 14.866 16.108 14.094 1.00 6.47 ? 114 THR A HG1 1 ATOM 1060 N N . ALA A 1 114 ? 17.159 12.299 14.400 1.00 5.96 ? 115 ALA A N 1 ATOM 1061 C CA . ALA A 1 114 ? 18.298 11.783 13.661 1.00 6.00 ? 115 ALA A CA 1 ATOM 1062 C C . ALA A 1 114 ? 18.383 12.342 12.245 1.00 7.52 ? 115 ALA A C 1 ATOM 1063 O O . ALA A 1 114 ? 17.365 12.666 11.614 1.00 8.32 ? 115 ALA A O 1 ATOM 1064 C CB . ALA A 1 114 ? 18.218 10.269 13.600 1.00 6.48 ? 115 ALA A CB 1 ATOM 1065 H H . ALA A 1 114 ? 16.405 11.704 14.606 1.00 5.96 ? 115 ALA A H 1 ATOM 1066 N N . TYR A 1 115 ? 19.609 12.498 11.772 1.00 6.46 ? 116 TYR A N 1 ATOM 1067 C CA . TYR A 1 115 ? 19.863 12.924 10.417 1.00 7.05 ? 116 TYR A CA 1 ATOM 1068 C C . TYR A 1 115 ? 20.014 11.568 9.706 1.00 8.02 ? 116 TYR A C 1 ATOM 1069 O O . TYR A 1 115 ? 20.939 10.797 9.991 1.00 8.39 ? 116 TYR A O 1 ATOM 1070 C CB . TYR A 1 115 ? 21.152 13.730 10.347 1.00 6.62 ? 116 TYR A CB 1 ATOM 1071 C CG . TYR A 1 115 ? 21.495 14.064 8.937 1.00 9.30 ? 116 TYR A CG 1 ATOM 1072 C CD1 . TYR A 1 115 ? 20.778 15.034 8.247 1.00 12.54 ? 116 TYR A CD1 1 ATOM 1073 C CD2 . TYR A 1 115 ? 22.489 13.362 8.258 1.00 10.31 ? 116 TYR A CD2 1 ATOM 1074 C CE1 . TYR A 1 115 ? 21.035 15.300 6.911 1.00 14.53 ? 116 TYR A CE1 1 ATOM 1075 C CE2 . TYR A 1 115 ? 22.757 13.618 6.911 1.00 12.05 ? 116 TYR A CE2 1 ATOM 1076 C CZ . TYR A 1 115 ? 22.021 14.589 6.252 1.00 15.09 ? 116 TYR A CZ 1 ATOM 1077 O OH . TYR A 1 115 ? 22.276 14.871 4.934 1.00 20.14 ? 116 TYR A OH 1 ATOM 1078 H H . TYR A 1 115 ? 20.367 12.316 12.360 1.00 6.46 ? 116 TYR A H 1 ATOM 1079 H HH . TYR A 1 115 ? 22.942 14.255 4.576 1.00 20.14 ? 116 TYR A HH 1 ATOM 1080 N N . THR A 1 116 ? 19.103 11.252 8.793 1.00 8.37 ? 117 THR A N 1 ATOM 1081 C CA . THR A 1 116 ? 19.148 9.938 8.154 1.00 9.88 ? 117 THR A CA 1 ATOM 1082 C C . THR A 1 116 ? 19.806 9.813 6.784 1.00 10.05 ? 117 THR A C 1 ATOM 1083 O O . THR A 1 116 ? 19.881 8.710 6.244 1.00 11.73 ? 117 THR A O 1 ATOM 1084 C CB . THR A 1 116 ? 17.741 9.331 8.069 1.00 11.02 ? 117 THR A CB 1 ATOM 1085 O OG1 . THR A 1 116 ? 16.892 10.223 7.336 1.00 12.48 ? 117 THR A OG1 1 ATOM 1086 C CG2 . THR A 1 116 ? 17.165 9.134 9.466 1.00 11.90 ? 117 THR A CG2 1 ATOM 1087 H H . THR A 1 116 ? 18.422 11.924 8.548 1.00 8.37 ? 117 THR A H 1 ATOM 1088 H HG1 . THR A 1 116 ? 16.423 10.776 7.971 1.00 12.48 ? 117 THR A HG1 1 ATOM 1089 N N . GLY A 1 117 ? 20.266 10.923 6.219 1.00 9.98 ? 118 GLY A N 1 ATOM 1090 C CA . GLY A 1 117 ? 20.901 10.873 4.914 1.00 9.65 ? 118 GLY A CA 1 ATOM 1091 C C . GLY A 1 117 ? 22.321 10.334 4.992 1.00 10.70 ? 118 GLY A C 1 ATOM 1092 O O . GLY A 1 117 ? 22.842 10.075 6.092 1.00 10.05 ? 118 GLY A O 1 ATOM 1093 H H . GLY A 1 117 ? 20.193 11.776 6.687 1.00 9.98 ? 118 GLY A H 1 ATOM 1094 N N A SER A 1 118 ? 22.949 10.155 3.834 0.34 9.88 ? 119 SER A N 1 ATOM 1095 N N B SER A 1 118 ? 22.945 10.138 3.834 0.66 10.01 ? 119 SER A N 1 ATOM 1096 C CA A SER A 1 118 ? 24.315 9.656 3.781 0.34 9.92 ? 119 SER A CA 1 ATOM 1097 C CA B SER A 1 118 ? 24.313 9.637 3.785 0.66 10.59 ? 119 SER A CA 1 ATOM 1098 C C A SER A 1 118 ? 25.260 10.688 4.390 0.34 9.29 ? 119 SER A C 1 ATOM 1099 C C B SER A 1 118 ? 25.261 10.679 4.382 0.66 9.75 ? 119 SER A C 1 ATOM 1100 O O A SER A 1 118 ? 25.046 11.899 4.262 0.34 9.21 ? 119 SER A O 1 ATOM 1101 O O B SER A 1 118 ? 25.057 11.891 4.225 0.66 9.50 ? 119 SER A O 1 ATOM 1102 C CB A SER A 1 118 ? 24.718 9.348 2.337 0.34 10.57 ? 119 SER A CB 1 ATOM 1103 C CB B SER A 1 118 ? 24.710 9.314 2.342 0.66 11.98 ? 119 SER A CB 1 ATOM 1104 O OG A SER A 1 118 ? 24.429 10.438 1.480 0.34 11.50 ? 119 SER A OG 1 ATOM 1105 O OG B SER A 1 118 ? 23.910 8.263 1.817 0.66 13.95 ? 119 SER A OG 1 ATOM 1106 H H A SER A 1 118 ? 22.514 10.372 2.978 0.34 9.88 ? 119 SER A H 1 ATOM 1107 H H B SER A 1 118 ? 22.483 10.336 2.988 0.66 10.01 ? 119 SER A H 1 ATOM 1108 H HG A SER A 1 118 ? 24.658 10.130 0.587 0.34 11.50 ? 119 SER A HG 1 ATOM 1109 H HG B SER A 1 118 ? 23.232 8.022 2.456 0.66 13.95 ? 119 SER A HG 1 ATOM 1110 N N . TRP A 1 119 ? 26.288 10.207 5.078 1.00 8.74 ? 120 TRP A N 1 ATOM 1111 C CA . TRP A 1 119 ? 27.253 11.094 5.705 1.00 6.65 ? 120 TRP A CA 1 ATOM 1112 C C . TRP A 1 119 ? 28.433 10.219 6.061 1.00 7.04 ? 120 TRP A C 1 ATOM 1113 O O . TRP A 1 119 ? 28.276 8.996 6.147 1.00 6.80 ? 120 TRP A O 1 ATOM 1114 C CB . TRP A 1 119 ? 26.666 11.674 6.993 1.00 5.54 ? 120 TRP A CB 1 ATOM 1115 C CG . TRP A 1 119 ? 27.318 12.938 7.412 1.00 6.29 ? 120 TRP A CG 1 ATOM 1116 C CD1 . TRP A 1 119 ? 28.201 13.109 8.448 1.00 5.70 ? 120 TRP A CD1 1 ATOM 1117 C CD2 . TRP A 1 119 ? 27.191 14.210 6.774 1.00 6.36 ? 120 TRP A CD2 1 ATOM 1118 N NE1 . TRP A 1 119 ? 28.633 14.415 8.482 1.00 6.19 ? 120 TRP A NE1 1 ATOM 1119 C CE2 . TRP A 1 119 ? 28.035 15.113 7.468 1.00 7.66 ? 120 TRP A CE2 1 ATOM 1120 C CE3 . TRP A 1 119 ? 26.450 14.680 5.680 1.00 7.53 ? 120 TRP A CE3 1 ATOM 1121 C CZ2 . TRP A 1 119 ? 28.161 16.458 7.097 1.00 7.58 ? 120 TRP A CZ2 1 ATOM 1122 C CZ3 . TRP A 1 119 ? 26.576 16.021 5.313 1.00 8.66 ? 120 TRP A CZ3 1 ATOM 1123 C CH2 . TRP A 1 119 ? 27.430 16.893 6.024 1.00 9.21 ? 120 TRP A CH2 1 ATOM 1124 H H . TRP A 1 119 ? 26.427 9.239 5.154 1.00 8.74 ? 120 TRP A H 1 ATOM 1125 H HE1 . TRP A 1 119 ? 29.251 14.761 9.147 1.00 6.19 ? 120 TRP A HE1 1 ATOM 1126 N N . GLY A 1 120 ? 29.606 10.824 6.259 1.00 5.51 ? 121 GLY A N 1 ATOM 1127 C CA . GLY A 1 120 ? 30.780 10.052 6.637 1.00 5.14 ? 121 GLY A CA 1 ATOM 1128 C C . GLY A 1 120 ? 30.638 9.673 8.105 1.00 5.25 ? 121 GLY A C 1 ATOM 1129 O O . GLY A 1 120 ? 30.977 10.456 8.984 1.00 6.74 ? 121 GLY A O 1 ATOM 1130 H H . GLY A 1 120 ? 29.697 11.800 6.146 1.00 5.51 ? 121 GLY A H 1 ATOM 1131 N N . ARG A 1 121 ? 30.140 8.469 8.371 1.00 5.44 ? 122 ARG A N 1 ATOM 1132 C CA . ARG A 1 121 ? 29.925 7.996 9.733 1.00 5.09 ? 122 ARG A CA 1 ATOM 1133 C C . ARG A 1 121 ? 30.520 6.601 9.894 1.00 5.98 ? 122 ARG A C 1 ATOM 1134 O O . ARG A 1 121 ? 30.665 5.872 8.909 1.00 6.37 ? 122 ARG A O 1 ATOM 1135 C CB . ARG A 1 121 ? 28.412 7.962 10.033 1.00 5.16 ? 122 ARG A CB 1 ATOM 1136 C CG . ARG A 1 121 ? 27.584 7.160 9.025 1.00 6.69 ? 122 ARG A CG 1 ATOM 1137 C CD . ARG A 1 121 ? 26.138 6.920 9.490 1.00 4.76 ? 122 ARG A CD 1 ATOM 1138 N NE . ARG A 1 121 ? 25.317 8.127 9.668 1.00 5.03 ? 122 ARG A NE 1 ATOM 1139 C CZ . ARG A 1 121 ? 24.595 8.711 8.710 1.00 7.18 ? 122 ARG A CZ 1 ATOM 1140 N NH1 . ARG A 1 121 ? 24.663 8.279 7.453 1.00 6.98 ? 122 ARG A NH1 1 ATOM 1141 N NH2 . ARG A 1 121 ? 23.848 9.774 8.993 1.00 5.90 ? 122 ARG A NH2 1 ATOM 1142 H H . ARG A 1 121 ? 29.916 7.884 7.616 1.00 5.44 ? 122 ARG A H 1 ATOM 1143 H HE . ARG A 1 121 ? 25.293 8.544 10.550 1.00 5.03 ? 122 ARG A HE 1 ATOM 1144 H HH11 . ARG A 1 121 ? 25.246 7.505 7.177 1.00 6.98 ? 122 ARG A HH11 1 ATOM 1145 H HH12 . ARG A 1 121 ? 24.097 8.721 6.753 1.00 6.98 ? 122 ARG A HH12 1 ATOM 1146 H HH21 . ARG A 1 121 ? 23.800 10.135 9.930 1.00 5.90 ? 122 ARG A HH21 1 ATOM 1147 H HH22 . ARG A 1 121 ? 23.301 10.214 8.282 1.00 5.90 ? 122 ARG A HH22 1 ATOM 1148 N N . PRO A 1 122 ? 30.930 6.232 11.125 1.00 6.17 ? 123 PRO A N 1 ATOM 1149 C CA . PRO A 1 122 ? 30.843 7.074 12.330 1.00 5.21 ? 123 PRO A CA 1 ATOM 1150 C C . PRO A 1 122 ? 32.092 7.953 12.449 1.00 5.98 ? 123 PRO A C 1 ATOM 1151 O O . PRO A 1 122 ? 33.005 7.847 11.639 1.00 6.20 ? 123 PRO A O 1 ATOM 1152 C CB . PRO A 1 122 ? 30.817 6.043 13.454 1.00 5.72 ? 123 PRO A CB 1 ATOM 1153 C CG . PRO A 1 122 ? 31.750 4.973 12.939 1.00 6.28 ? 123 PRO A CG 1 ATOM 1154 C CD . PRO A 1 122 ? 31.385 4.865 11.465 1.00 6.27 ? 123 PRO A CD 1 ATOM 1155 N N . GLN A 1 123 ? 32.080 8.869 13.407 1.00 4.67 ? 124 GLN A N 1 ATOM 1156 C CA . GLN A 1 123 ? 33.231 9.725 13.701 1.00 4.11 ? 124 GLN A CA 1 ATOM 1157 C C . GLN A 1 123 ? 33.424 9.471 15.191 1.00 4.62 ? 124 GLN A C 1 ATOM 1158 O O . GLN A 1 123 ? 32.663 9.949 16.029 1.00 4.66 ? 124 GLN A O 1 ATOM 1159 C CB . GLN A 1 123 ? 32.925 11.181 13.376 1.00 3.00 ? 124 GLN A CB 1 ATOM 1160 C CG . GLN A 1 123 ? 32.908 11.402 11.867 1.00 3.00 ? 124 GLN A CG 1 ATOM 1161 C CD . GLN A 1 123 ? 32.430 12.777 11.462 1.00 4.81 ? 124 GLN A CD 1 ATOM 1162 O OE1 . GLN A 1 123 ? 32.555 13.745 12.209 1.00 5.48 ? 124 GLN A OE1 1 ATOM 1163 N NE2 . GLN A 1 123 ? 31.869 12.867 10.264 1.00 3.04 ? 124 GLN A NE2 1 ATOM 1164 H H . GLN A 1 123 ? 31.282 8.967 13.966 1.00 4.67 ? 124 GLN A H 1 ATOM 1165 H HE21 . GLN A 1 123 ? 31.556 13.738 9.967 1.00 3.04 ? 124 GLN A HE21 1 ATOM 1166 H HE22 . GLN A 1 123 ? 31.785 12.057 9.716 1.00 3.04 ? 124 GLN A HE22 1 ATOM 1167 N N . ARG A 1 124 ? 34.443 8.685 15.510 1.00 3.87 ? 125 ARG A N 1 ATOM 1168 C CA . ARG A 1 124 ? 34.685 8.263 16.884 1.00 3.35 ? 125 ARG A CA 1 ATOM 1169 C C . ARG A 1 124 ? 35.293 9.264 17.870 1.00 3.00 ? 125 ARG A C 1 ATOM 1170 O O . ARG A 1 124 ? 35.455 8.952 19.053 1.00 4.09 ? 125 ARG A O 1 ATOM 1171 C CB . ARG A 1 124 ? 35.439 6.929 16.865 1.00 3.37 ? 125 ARG A CB 1 ATOM 1172 C CG . ARG A 1 124 ? 34.802 5.903 15.906 1.00 4.37 ? 125 ARG A CG 1 ATOM 1173 C CD . ARG A 1 124 ? 35.395 4.517 16.113 1.00 5.81 ? 125 ARG A CD 1 ATOM 1174 N NE . ARG A 1 124 ? 35.155 3.612 14.985 1.00 7.10 ? 125 ARG A NE 1 ATOM 1175 C CZ . ARG A 1 124 ? 34.086 2.830 14.838 1.00 7.15 ? 125 ARG A CZ 1 ATOM 1176 N NH1 . ARG A 1 124 ? 33.109 2.825 15.739 1.00 5.79 ? 125 ARG A NH1 1 ATOM 1177 N NH2 . ARG A 1 124 ? 34.020 2.003 13.805 1.00 6.97 ? 125 ARG A NH2 1 ATOM 1178 H H . ARG A 1 124 ? 35.057 8.384 14.801 1.00 3.87 ? 125 ARG A H 1 ATOM 1179 H HE . ARG A 1 124 ? 35.848 3.588 14.284 1.00 7.10 ? 125 ARG A HE 1 ATOM 1180 H HH11 . ARG A 1 124 ? 33.122 3.423 16.547 1.00 5.79 ? 125 ARG A HH11 1 ATOM 1181 H HH12 . ARG A 1 124 ? 32.315 2.219 15.607 1.00 5.79 ? 125 ARG A HH12 1 ATOM 1182 H HH21 . ARG A 1 124 ? 34.766 1.995 13.135 1.00 6.97 ? 125 ARG A HH21 1 ATOM 1183 H HH22 . ARG A 1 124 ? 33.214 1.421 13.660 1.00 6.97 ? 125 ARG A HH22 1 ATOM 1184 N N . ASP A 1 125 ? 35.597 10.469 17.396 1.00 3.04 ? 126 ASP A N 1 ATOM 1185 C CA . ASP A 1 125 ? 36.122 11.520 18.263 1.00 3.92 ? 126 ASP A CA 1 ATOM 1186 C C . ASP A 1 125 ? 34.992 12.138 19.105 1.00 4.40 ? 126 ASP A C 1 ATOM 1187 O O . ASP A 1 125 ? 35.221 12.580 20.224 1.00 4.12 ? 126 ASP A O 1 ATOM 1188 C CB . ASP A 1 125 ? 36.803 12.624 17.438 1.00 3.55 ? 126 ASP A CB 1 ATOM 1189 C CG . ASP A 1 125 ? 35.860 13.287 16.416 1.00 5.54 ? 126 ASP A CG 1 ATOM 1190 O OD1 . ASP A 1 125 ? 35.132 12.564 15.702 1.00 4.61 ? 126 ASP A OD1 1 ATOM 1191 O OD2 . ASP A 1 125 ? 35.854 14.531 16.315 1.00 4.87 ? 126 ASP A OD2 1 ATOM 1192 H H . ASP A 1 125 ? 35.482 10.659 16.440 1.00 3.04 ? 126 ASP A H 1 ATOM 1193 N N . GLY A 1 126 ? 33.782 12.167 18.545 1.00 4.67 ? 127 GLY A N 1 ATOM 1194 C CA . GLY A 1 126 ? 32.632 12.761 19.215 1.00 3.73 ? 127 GLY A CA 1 ATOM 1195 C C . GLY A 1 126 ? 32.405 12.368 20.661 1.00 3.00 ? 127 GLY A C 1 ATOM 1196 O O . GLY A 1 126 ? 32.349 13.239 21.528 1.00 3.05 ? 127 GLY A O 1 ATOM 1197 H H . GLY A 1 126 ? 33.681 11.796 17.642 1.00 4.67 ? 127 GLY A H 1 ATOM 1198 N N . PRO A 1 127 ? 32.258 11.067 20.954 1.00 3.08 ? 128 PRO A N 1 ATOM 1199 C CA . PRO A 1 127 ? 32.035 10.631 22.338 1.00 3.85 ? 128 PRO A CA 1 ATOM 1200 C C . PRO A 1 127 ? 33.155 11.062 23.286 1.00 4.28 ? 128 PRO A C 1 ATOM 1201 O O . PRO A 1 127 ? 32.891 11.402 24.441 1.00 4.92 ? 128 PRO A O 1 ATOM 1202 C CB . PRO A 1 127 ? 31.938 9.110 22.205 1.00 4.59 ? 128 PRO A CB 1 ATOM 1203 C CG . PRO A 1 127 ? 31.311 8.956 20.848 1.00 4.79 ? 128 PRO A CG 1 ATOM 1204 C CD . PRO A 1 127 ? 32.091 9.942 20.017 1.00 4.36 ? 128 PRO A CD 1 ATOM 1205 N N . ALA A 1 128 ? 34.394 11.076 22.790 1.00 3.35 ? 129 ALA A N 1 ATOM 1206 C CA . ALA A 1 128 ? 35.544 11.476 23.609 1.00 3.03 ? 129 ALA A CA 1 ATOM 1207 C C . ALA A 1 128 ? 35.455 12.959 23.952 1.00 3.39 ? 129 ALA A C 1 ATOM 1208 O O . ALA A 1 128 ? 35.675 13.350 25.097 1.00 3.00 ? 129 ALA A O 1 ATOM 1209 C CB . ALA A 1 128 ? 36.863 11.184 22.868 1.00 3.31 ? 129 ALA A CB 1 ATOM 1210 H H . ALA A 1 128 ? 34.539 10.823 21.857 1.00 3.35 ? 129 ALA A H 1 ATOM 1211 N N . LEU A 1 129 ? 35.139 13.781 22.952 1.00 3.01 ? 130 LEU A N 1 ATOM 1212 C CA . LEU A 1 129 ? 35.020 15.225 23.143 1.00 3.00 ? 130 LEU A CA 1 ATOM 1213 C C . LEU A 1 129 ? 33.850 15.575 24.060 1.00 3.37 ? 130 LEU A C 1 ATOM 1214 O O . LEU A 1 129 ? 33.960 16.473 24.902 1.00 3.84 ? 130 LEU A O 1 ATOM 1215 C CB . LEU A 1 129 ? 34.871 15.943 21.794 1.00 3.00 ? 130 LEU A CB 1 ATOM 1216 C CG . LEU A 1 129 ? 36.111 15.818 20.905 1.00 4.43 ? 130 LEU A CG 1 ATOM 1217 C CD1 . LEU A 1 129 ? 35.860 16.468 19.553 1.00 4.59 ? 130 LEU A CD1 1 ATOM 1218 C CD2 . LEU A 1 129 ? 37.315 16.455 21.608 1.00 4.21 ? 130 LEU A CD2 1 ATOM 1219 H H . LEU A 1 129 ? 34.990 13.407 22.055 1.00 3.01 ? 130 LEU A H 1 ATOM 1220 N N . ARG A 1 130 ? 32.729 14.879 23.898 1.00 3.00 ? 131 ARG A N 1 ATOM 1221 C CA . ARG A 1 130 ? 31.576 15.147 24.747 1.00 3.32 ? 131 ARG A CA 1 ATOM 1222 C C . ARG A 1 130 ? 31.922 14.776 26.197 1.00 3.72 ? 131 ARG A C 1 ATOM 1223 O O . ARG A 1 130 ? 31.626 15.534 27.126 1.00 4.40 ? 131 ARG A O 1 ATOM 1224 C CB . ARG A 1 130 ? 30.355 14.367 24.259 1.00 3.27 ? 131 ARG A CB 1 ATOM 1225 C CG . ARG A 1 130 ? 29.109 14.601 25.112 1.00 3.72 ? 131 ARG A CG 1 ATOM 1226 C CD . ARG A 1 130 ? 27.847 14.122 24.394 1.00 3.00 ? 131 ARG A CD 1 ATOM 1227 N NE . ARG A 1 130 ? 27.921 12.709 24.015 1.00 3.00 ? 131 ARG A NE 1 ATOM 1228 C CZ . ARG A 1 130 ? 27.167 12.139 23.075 1.00 4.13 ? 131 ARG A CZ 1 ATOM 1229 N NH1 . ARG A 1 130 ? 26.272 12.864 22.406 1.00 4.25 ? 131 ARG A NH1 1 ATOM 1230 N NH2 . ARG A 1 130 ? 27.321 10.848 22.790 1.00 3.25 ? 131 ARG A NH2 1 ATOM 1231 H H . ARG A 1 130 ? 32.676 14.194 23.197 1.00 3.00 ? 131 ARG A H 1 ATOM 1232 H HE . ARG A 1 130 ? 28.597 12.161 24.450 1.00 3.00 ? 131 ARG A HE 1 ATOM 1233 H HH11 . ARG A 1 130 ? 26.132 13.844 22.586 1.00 4.25 ? 131 ARG A HH11 1 ATOM 1234 H HH12 . ARG A 1 130 ? 25.728 12.413 21.690 1.00 4.25 ? 131 ARG A HH12 1 ATOM 1235 H HH21 . ARG A 1 130 ? 27.997 10.278 23.252 1.00 3.25 ? 131 ARG A HH21 1 ATOM 1236 H HH22 . ARG A 1 130 ? 26.752 10.447 22.064 1.00 3.25 ? 131 ARG A HH22 1 ATOM 1237 N N . ALA A 1 131 ? 32.589 13.636 26.380 1.00 3.05 ? 132 ALA A N 1 ATOM 1238 C CA . ALA A 1 131 ? 32.986 13.193 27.724 1.00 3.24 ? 132 ALA A CA 1 ATOM 1239 C C . ALA A 1 131 ? 33.897 14.226 28.385 1.00 3.76 ? 132 ALA A C 1 ATOM 1240 O O . ALA A 1 131 ? 33.676 14.620 29.531 1.00 3.09 ? 132 ALA A O 1 ATOM 1241 C CB . ALA A 1 131 ? 33.664 11.820 27.670 1.00 4.25 ? 132 ALA A CB 1 ATOM 1242 H H . ALA A 1 131 ? 32.795 13.061 25.612 1.00 3.05 ? 132 ALA A H 1 ATOM 1243 N N . THR A 1 132 ? 34.881 14.722 27.645 1.00 3.45 ? 133 THR A N 1 ATOM 1244 C CA . THR A 1 132 ? 35.791 15.736 28.179 1.00 3.00 ? 133 THR A CA 1 ATOM 1245 C C . THR A 1 132 ? 35.048 17.020 28.588 1.00 5.70 ? 133 THR A C 1 ATOM 1246 O O . THR A 1 132 ? 35.336 17.607 29.644 1.00 5.96 ? 133 THR A O 1 ATOM 1247 C CB . THR A 1 132 ? 36.918 16.010 27.160 1.00 3.38 ? 133 THR A CB 1 ATOM 1248 O OG1 . THR A 1 132 ? 37.800 14.877 27.146 1.00 3.25 ? 133 THR A OG1 1 ATOM 1249 C CG2 . THR A 1 132 ? 37.681 17.289 27.490 1.00 4.03 ? 133 THR A CG2 1 ATOM 1250 H H . THR A 1 132 ? 34.998 14.394 26.728 1.00 3.45 ? 133 THR A H 1 ATOM 1251 H HG1 . THR A 1 132 ? 37.280 14.070 27.215 1.00 3.25 ? 133 THR A HG1 1 ATOM 1252 N N . ALA A 1 133 ? 34.056 17.423 27.796 1.00 3.34 ? 134 ALA A N 1 ATOM 1253 C CA . ALA A 1 133 ? 33.282 18.632 28.115 1.00 4.97 ? 134 ALA A CA 1 ATOM 1254 C C . ALA A 1 133 ? 32.491 18.452 29.418 1.00 4.64 ? 134 ALA A C 1 ATOM 1255 O O . ALA A 1 133 ? 32.480 19.329 30.284 1.00 6.60 ? 134 ALA A O 1 ATOM 1256 C CB . ALA A 1 133 ? 32.333 18.980 26.963 1.00 3.82 ? 134 ALA A CB 1 ATOM 1257 H H . ALA A 1 133 ? 33.822 16.908 26.996 1.00 3.34 ? 134 ALA A H 1 ATOM 1258 N N . MET A 1 134 ? 31.843 17.304 29.558 1.00 4.10 ? 135 MET A N 1 ATOM 1259 C CA . MET A 1 134 ? 31.049 17.022 30.746 1.00 3.35 ? 135 MET A CA 1 ATOM 1260 C C . MET A 1 134 ? 31.870 16.802 32.001 1.00 4.45 ? 135 MET A C 1 ATOM 1261 O O . MET A 1 134 ? 31.459 17.236 33.078 1.00 4.68 ? 135 MET A O 1 ATOM 1262 C CB . MET A 1 134 ? 30.136 15.819 30.514 1.00 4.69 ? 135 MET A CB 1 ATOM 1263 C CG . MET A 1 134 ? 29.071 16.078 29.475 1.00 4.53 ? 135 MET A CG 1 ATOM 1264 S SD . MET A 1 134 ? 27.853 14.780 29.537 1.00 8.33 ? 135 MET A SD 1 ATOM 1265 C CE . MET A 1 134 ? 26.765 15.286 28.204 1.00 9.31 ? 135 MET A CE 1 ATOM 1266 H H . MET A 1 134 ? 31.882 16.636 28.841 1.00 4.10 ? 135 MET A H 1 ATOM 1267 N N . ILE A 1 135 ? 33.004 16.109 31.875 1.00 3.86 ? 136 ILE A N 1 ATOM 1268 C CA . ILE A 1 135 ? 33.873 15.845 33.024 1.00 5.14 ? 136 ILE A CA 1 ATOM 1269 C C . ILE A 1 135 ? 34.321 17.149 33.693 1.00 5.22 ? 136 ILE A C 1 ATOM 1270 O O . ILE A 1 135 ? 34.328 17.235 34.917 1.00 6.36 ? 136 ILE A O 1 ATOM 1271 C CB . ILE A 1 135 ? 35.097 14.957 32.630 1.00 5.09 ? 136 ILE A CB 1 ATOM 1272 C CG1 . ILE A 1 135 ? 34.617 13.527 32.345 1.00 4.53 ? 136 ILE A CG1 1 ATOM 1273 C CG2 . ILE A 1 135 ? 36.154 14.962 33.747 1.00 4.28 ? 136 ILE A CG2 1 ATOM 1274 C CD1 . ILE A 1 135 ? 35.652 12.655 31.629 1.00 4.68 ? 136 ILE A CD1 1 ATOM 1275 H H . ILE A 1 135 ? 33.238 15.759 30.995 1.00 3.86 ? 136 ILE A H 1 ATOM 1276 N N . GLY A 1 136 ? 34.644 18.166 32.898 1.00 6.03 ? 137 GLY A N 1 ATOM 1277 C CA . GLY A 1 136 ? 35.064 19.445 33.453 1.00 7.53 ? 137 GLY A CA 1 ATOM 1278 C C . GLY A 1 136 ? 33.985 20.062 34.329 1.00 8.26 ? 137 GLY A C 1 ATOM 1279 O O . GLY A 1 136 ? 34.271 20.616 35.399 1.00 8.20 ? 137 GLY A O 1 ATOM 1280 H H . GLY A 1 136 ? 34.596 18.059 31.929 1.00 6.03 ? 137 GLY A H 1 ATOM 1281 N N . PHE A 1 137 ? 32.736 19.981 33.878 1.00 6.06 ? 138 PHE A N 1 ATOM 1282 C CA . PHE A 1 137 ? 31.622 20.519 34.664 1.00 6.77 ? 138 PHE A CA 1 ATOM 1283 C C . PHE A 1 137 ? 31.378 19.629 35.885 1.00 5.91 ? 138 PHE A C 1 ATOM 1284 O O . PHE A 1 137 ? 31.105 20.126 36.973 1.00 5.94 ? 138 PHE A O 1 ATOM 1285 C CB . PHE A 1 137 ? 30.350 20.642 33.812 1.00 7.26 ? 138 PHE A CB 1 ATOM 1286 C CG . PHE A 1 137 ? 29.231 21.381 34.497 1.00 7.94 ? 138 PHE A CG 1 ATOM 1287 C CD1 . PHE A 1 137 ? 29.388 22.708 34.873 1.00 9.17 ? 138 PHE A CD1 1 ATOM 1288 C CD2 . PHE A 1 137 ? 28.026 20.741 34.775 1.00 8.61 ? 138 PHE A CD2 1 ATOM 1289 C CE1 . PHE A 1 137 ? 28.354 23.396 35.516 1.00 11.72 ? 138 PHE A CE1 1 ATOM 1290 C CE2 . PHE A 1 137 ? 26.988 21.420 35.415 1.00 10.14 ? 138 PHE A CE2 1 ATOM 1291 C CZ . PHE A 1 137 ? 27.155 22.746 35.787 1.00 10.96 ? 138 PHE A CZ 1 ATOM 1292 H H . PHE A 1 137 ? 32.567 19.563 33.008 1.00 6.06 ? 138 PHE A H 1 ATOM 1293 N N . GLY A 1 138 ? 31.487 18.315 35.697 1.00 5.01 ? 139 GLY A N 1 ATOM 1294 C CA . GLY A 1 138 ? 31.318 17.374 36.794 1.00 5.27 ? 139 GLY A CA 1 ATOM 1295 C C . GLY A 1 138 ? 32.331 17.650 37.900 1.00 7.26 ? 139 GLY A C 1 ATOM 1296 O O . GLY A 1 138 ? 32.008 17.530 39.083 1.00 6.18 ? 139 GLY A O 1 ATOM 1297 H H . GLY A 1 138 ? 31.677 17.974 34.801 1.00 5.01 ? 139 GLY A H 1 ATOM 1298 N N . GLN A 1 139 ? 33.552 18.034 37.517 1.00 7.12 ? 140 GLN A N 1 ATOM 1299 C CA . GLN A 1 139 ? 34.605 18.354 38.489 1.00 8.27 ? 140 GLN A CA 1 ATOM 1300 C C . GLN A 1 139 ? 34.184 19.577 39.304 1.00 8.21 ? 140 GLN A C 1 ATOM 1301 O O . GLN A 1 139 ? 34.328 19.592 40.532 1.00 7.69 ? 140 GLN A O 1 ATOM 1302 C CB . GLN A 1 139 ? 35.935 18.642 37.781 1.00 10.18 ? 140 GLN A CB 1 ATOM 1303 C CG . GLN A 1 139 ? 36.597 17.423 37.160 1.00 13.66 ? 140 GLN A CG 1 ATOM 1304 C CD . GLN A 1 139 ? 37.749 17.787 36.215 1.00 18.27 ? 140 GLN A CD 1 ATOM 1305 O OE1 . GLN A 1 139 ? 37.938 18.960 35.836 1.00 18.35 ? 140 GLN A OE1 1 ATOM 1306 N NE2 . GLN A 1 139 ? 38.514 16.777 35.812 1.00 18.20 ? 140 GLN A NE2 1 ATOM 1307 H H . GLN A 1 139 ? 33.742 18.092 36.560 1.00 7.12 ? 140 GLN A H 1 ATOM 1308 H HE21 . GLN A 1 139 ? 39.262 17.003 35.220 1.00 18.20 ? 140 GLN A HE21 1 ATOM 1309 H HE22 . GLN A 1 139 ? 38.328 15.861 36.112 1.00 18.20 ? 140 GLN A HE22 1 ATOM 1310 N N . TRP A 1 140 ? 33.678 20.606 38.627 1.00 6.82 ? 141 TRP A N 1 ATOM 1311 C CA . TRP A 1 140 ? 33.212 21.807 39.312 1.00 7.17 ? 141 TRP A CA 1 ATOM 1312 C C . TRP A 1 140 ? 32.082 21.461 40.305 1.00 7.44 ? 141 TRP A C 1 ATOM 1313 O O . TRP A 1 140 ? 32.080 21.933 41.446 1.00 7.31 ? 141 TRP A O 1 ATOM 1314 C CB . TRP A 1 140 ? 32.711 22.844 38.301 1.00 7.69 ? 141 TRP A CB 1 ATOM 1315 C CG . TRP A 1 140 ? 32.321 24.140 38.944 1.00 9.82 ? 141 TRP A CG 1 ATOM 1316 C CD1 . TRP A 1 140 ? 33.136 25.199 39.211 1.00 10.63 ? 141 TRP A CD1 1 ATOM 1317 C CD2 . TRP A 1 140 ? 31.021 24.495 39.444 1.00 9.94 ? 141 TRP A CD2 1 ATOM 1318 N NE1 . TRP A 1 140 ? 32.430 26.189 39.855 1.00 11.34 ? 141 TRP A NE1 1 ATOM 1319 C CE2 . TRP A 1 140 ? 31.130 25.785 40.010 1.00 11.69 ? 141 TRP A CE2 1 ATOM 1320 C CE3 . TRP A 1 140 ? 29.777 23.845 39.469 1.00 9.88 ? 141 TRP A CE3 1 ATOM 1321 C CZ2 . TRP A 1 140 ? 30.042 26.443 40.597 1.00 11.92 ? 141 TRP A CZ2 1 ATOM 1322 C CZ3 . TRP A 1 140 ? 28.692 24.500 40.053 1.00 11.96 ? 141 TRP A CZ3 1 ATOM 1323 C CH2 . TRP A 1 140 ? 28.835 25.785 40.609 1.00 13.09 ? 141 TRP A CH2 1 ATOM 1324 H H . TRP A 1 140 ? 33.618 20.558 37.649 1.00 6.82 ? 141 TRP A H 1 ATOM 1325 H HE1 . TRP A 1 140 ? 32.802 27.057 40.134 1.00 11.34 ? 141 TRP A HE1 1 ATOM 1326 N N . LEU A 1 141 ? 31.124 20.643 39.867 1.00 7.79 ? 142 LEU A N 1 ATOM 1327 C CA . LEU A 1 141 ? 30.006 20.242 40.719 1.00 8.16 ? 142 LEU A CA 1 ATOM 1328 C C . LEU A 1 141 ? 30.537 19.568 41.981 1.00 10.17 ? 142 LEU A C 1 ATOM 1329 O O . LEU A 1 141 ? 30.118 19.908 43.086 1.00 9.70 ? 142 LEU A O 1 ATOM 1330 C CB . LEU A 1 141 ? 29.060 19.286 39.979 1.00 7.40 ? 142 LEU A CB 1 ATOM 1331 C CG . LEU A 1 141 ? 28.292 19.845 38.778 1.00 8.90 ? 142 LEU A CG 1 ATOM 1332 C CD1 . LEU A 1 141 ? 27.612 18.713 38.020 1.00 7.84 ? 142 LEU A CD1 1 ATOM 1333 C CD2 . LEU A 1 141 ? 27.269 20.872 39.249 1.00 9.43 ? 142 LEU A CD2 1 ATOM 1334 H H . LEU A 1 141 ? 31.174 20.312 38.945 1.00 7.79 ? 142 LEU A H 1 ATOM 1335 N N . LEU A 1 142 ? 31.473 18.633 41.822 1.00 9.95 ? 143 LEU A N 1 ATOM 1336 C CA . LEU A 1 142 ? 32.062 17.939 42.971 1.00 12.99 ? 143 LEU A CA 1 ATOM 1337 C C . LEU A 1 142 ? 32.740 18.918 43.930 1.00 13.34 ? 143 LEU A C 1 ATOM 1338 O O . LEU A 1 142 ? 32.510 18.878 45.145 1.00 13.79 ? 143 LEU A O 1 ATOM 1339 C CB . LEU A 1 142 ? 33.100 16.910 42.511 1.00 14.17 ? 143 LEU A CB 1 ATOM 1340 C CG . LEU A 1 142 ? 32.597 15.537 42.094 1.00 17.25 ? 143 LEU A CG 1 ATOM 1341 C CD1 . LEU A 1 142 ? 33.762 14.704 41.595 1.00 19.15 ? 143 LEU A CD1 1 ATOM 1342 C CD2 . LEU A 1 142 ? 31.915 14.857 43.273 1.00 18.33 ? 143 LEU A CD2 1 ATOM 1343 H H . LEU A 1 142 ? 31.768 18.400 40.915 1.00 9.95 ? 143 LEU A H 1 ATOM 1344 N N . ASP A 1 143 ? 33.566 19.795 43.370 1.00 12.59 ? 144 ASP A N 1 ATOM 1345 C CA . ASP A 1 143 ? 34.304 20.789 44.141 1.00 13.48 ? 144 ASP A CA 1 ATOM 1346 C C . ASP A 1 143 ? 33.411 21.774 44.885 1.00 14.69 ? 144 ASP A C 1 ATOM 1347 O O . ASP A 1 143 ? 33.769 22.257 45.956 1.00 13.62 ? 144 ASP A O 1 ATOM 1348 C CB . ASP A 1 143 ? 35.240 21.591 43.231 1.00 14.25 ? 144 ASP A CB 1 ATOM 1349 C CG . ASP A 1 143 ? 36.356 20.751 42.629 1.00 15.85 ? 144 ASP A CG 1 ATOM 1350 O OD1 . ASP A 1 143 ? 36.522 19.574 43.021 1.00 16.40 ? 144 ASP A OD1 1 ATOM 1351 O OD2 . ASP A 1 143 ? 37.065 21.281 41.743 1.00 18.92 ? 144 ASP A OD2 1 ATOM 1352 H H . ASP A 1 143 ? 33.720 19.767 42.403 1.00 12.59 ? 144 ASP A H 1 ATOM 1353 N N . ASN A 1 144 ? 32.248 22.082 44.327 1.00 13.91 ? 145 ASN A N 1 ATOM 1354 C CA . ASN A 1 144 ? 31.372 23.044 44.959 1.00 15.00 ? 145 ASN A CA 1 ATOM 1355 C C . ASN A 1 144 ? 30.201 22.468 45.738 1.00 15.65 ? 145 ASN A C 1 ATOM 1356 O O . ASN A 1 144 ? 29.229 23.163 46.000 1.00 17.70 ? 145 ASN A O 1 ATOM 1357 C CB . ASN A 1 144 ? 30.930 24.083 43.932 1.00 17.98 ? 145 ASN A CB 1 ATOM 1358 C CG . ASN A 1 144 ? 32.078 24.958 43.481 1.00 21.47 ? 145 ASN A CG 1 ATOM 1359 O OD1 . ASN A 1 144 ? 32.176 26.118 43.879 1.00 26.00 ? 145 ASN A OD1 1 ATOM 1360 N ND2 . ASN A 1 144 ? 32.982 24.399 42.684 1.00 20.66 ? 145 ASN A ND2 1 ATOM 1361 H H . ASN A 1 144 ? 31.989 21.641 43.490 1.00 13.91 ? 145 ASN A H 1 ATOM 1362 H HD21 . ASN A 1 144 ? 33.752 24.923 42.385 1.00 20.66 ? 145 ASN A HD21 1 ATOM 1363 H HD22 . ASN A 1 144 ? 32.856 23.461 42.421 1.00 20.66 ? 145 ASN A HD22 1 ATOM 1364 N N . GLY A 1 145 ? 30.302 21.193 46.102 1.00 16.28 ? 146 GLY A N 1 ATOM 1365 C CA . GLY A 1 145 ? 29.270 20.550 46.905 1.00 18.39 ? 146 GLY A CA 1 ATOM 1366 C C . GLY A 1 145 ? 27.982 20.056 46.267 1.00 18.66 ? 146 GLY A C 1 ATOM 1367 O O . GLY A 1 145 ? 27.021 19.759 46.979 1.00 20.34 ? 146 GLY A O 1 ATOM 1368 H H . GLY A 1 145 ? 31.076 20.663 45.818 1.00 16.28 ? 146 GLY A H 1 ATOM 1369 N N . TYR A 1 146 ? 27.953 19.934 44.944 1.00 15.98 ? 147 TYR A N 1 ATOM 1370 C CA . TYR A 1 146 ? 26.760 19.449 44.256 1.00 15.16 ? 147 TYR A CA 1 ATOM 1371 C C . TYR A 1 146 ? 27.032 18.018 43.823 1.00 15.99 ? 147 TYR A C 1 ATOM 1372 O O . TYR A 1 146 ? 26.935 17.663 42.647 1.00 14.46 ? 147 TYR A O 1 ATOM 1373 C CB . TYR A 1 146 ? 26.428 20.357 43.064 1.00 13.77 ? 147 TYR A CB 1 ATOM 1374 C CG . TYR A 1 146 ? 26.147 21.782 43.485 1.00 15.61 ? 147 TYR A CG 1 ATOM 1375 C CD1 . TYR A 1 146 ? 24.950 22.119 44.134 1.00 17.01 ? 147 TYR A CD1 1 ATOM 1376 C CD2 . TYR A 1 146 ? 27.083 22.792 43.261 1.00 14.65 ? 147 TYR A CD2 1 ATOM 1377 C CE1 . TYR A 1 146 ? 24.703 23.430 44.549 1.00 17.09 ? 147 TYR A CE1 1 ATOM 1378 C CE2 . TYR A 1 146 ? 26.847 24.096 43.671 1.00 16.44 ? 147 TYR A CE2 1 ATOM 1379 C CZ . TYR A 1 146 ? 25.657 24.410 44.311 1.00 17.48 ? 147 TYR A CZ 1 ATOM 1380 O OH . TYR A 1 146 ? 25.417 25.717 44.679 1.00 20.71 ? 147 TYR A OH 1 ATOM 1381 H H . TYR A 1 146 ? 28.744 20.164 44.417 1.00 15.98 ? 147 TYR A H 1 ATOM 1382 H HH . TYR A 1 146 ? 26.233 26.238 44.590 1.00 20.71 ? 147 TYR A HH 1 ATOM 1383 N N . THR A 1 147 ? 27.361 17.191 44.807 1.00 17.40 ? 148 THR A N 1 ATOM 1384 C CA . THR A 1 147 ? 27.696 15.791 44.582 1.00 19.63 ? 148 THR A CA 1 ATOM 1385 C C . THR A 1 147 ? 26.632 14.974 43.857 1.00 18.36 ? 148 THR A C 1 ATOM 1386 O O . THR A 1 147 ? 26.959 14.183 42.974 1.00 18.41 ? 148 THR A O 1 ATOM 1387 C CB . THR A 1 147 ? 28.014 15.093 45.910 1.00 22.96 ? 148 THR A CB 1 ATOM 1388 O OG1 . THR A 1 147 ? 28.827 15.965 46.707 1.00 25.65 ? 148 THR A OG1 1 ATOM 1389 C CG2 . THR A 1 147 ? 28.758 13.784 45.652 1.00 23.09 ? 148 THR A CG2 1 ATOM 1390 H H . THR A 1 147 ? 27.374 17.519 45.733 1.00 17.40 ? 148 THR A H 1 ATOM 1391 H HG1 . THR A 1 147 ? 29.745 15.885 46.401 1.00 25.65 ? 148 THR A HG1 1 ATOM 1392 N N A SER A 1 148 ? 25.371 15.147 44.233 0.60 17.90 ? 149 SER A N 1 ATOM 1393 N N B SER A 1 148 ? 25.372 15.182 44.224 0.40 17.50 ? 149 SER A N 1 ATOM 1394 C CA A SER A 1 148 ? 24.299 14.397 43.594 0.60 17.43 ? 149 SER A CA 1 ATOM 1395 C CA B SER A 1 148 ? 24.260 14.462 43.615 0.40 16.56 ? 149 SER A CA 1 ATOM 1396 C C A SER A 1 148 ? 24.221 14.653 42.089 0.60 15.81 ? 149 SER A C 1 ATOM 1397 C C B SER A 1 148 ? 24.222 14.660 42.104 0.40 15.30 ? 149 SER A C 1 ATOM 1398 O O A SER A 1 148 ? 24.084 13.711 41.312 0.60 15.73 ? 149 SER A O 1 ATOM 1399 O O B SER A 1 148 ? 24.106 13.701 41.346 0.40 15.31 ? 149 SER A O 1 ATOM 1400 C CB A SER A 1 148 ? 22.966 14.679 44.282 0.60 18.87 ? 149 SER A CB 1 ATOM 1401 C CB B SER A 1 148 ? 22.938 14.929 44.223 0.40 17.28 ? 149 SER A CB 1 ATOM 1402 O OG A SER A 1 148 ? 23.020 14.248 45.634 0.60 23.31 ? 149 SER A OG 1 ATOM 1403 O OG B SER A 1 148 ? 22.796 16.337 44.097 0.40 18.93 ? 149 SER A OG 1 ATOM 1404 H H A SER A 1 148 ? 25.138 15.775 44.955 0.60 17.90 ? 149 SER A H 1 ATOM 1405 H H B SER A 1 148 ? 25.157 15.852 44.913 0.40 17.50 ? 149 SER A H 1 ATOM 1406 H HG A SER A 1 148 ? 22.861 13.287 45.667 0.60 23.31 ? 149 SER A HG 1 ATOM 1407 H HG B SER A 1 148 ? 21.925 16.531 44.460 0.40 18.93 ? 149 SER A HG 1 ATOM 1408 N N . ALA A 1 149 ? 24.342 15.910 41.671 1.00 13.55 ? 150 ALA A N 1 ATOM 1409 C CA . ALA A 1 149 ? 24.309 16.230 40.249 1.00 11.92 ? 150 ALA A CA 1 ATOM 1410 C C . ALA A 1 149 ? 25.492 15.564 39.523 1.00 11.44 ? 150 ALA A C 1 ATOM 1411 O O . ALA A 1 149 ? 25.341 15.040 38.420 1.00 11.63 ? 150 ALA A O 1 ATOM 1412 C CB . ALA A 1 149 ? 24.315 17.727 40.039 1.00 10.30 ? 150 ALA A CB 1 ATOM 1413 H H . ALA A 1 149 ? 24.449 16.618 42.345 1.00 13.55 ? 150 ALA A H 1 ATOM 1414 N N . ALA A 1 150 ? 26.665 15.554 40.143 1.00 10.23 ? 151 ALA A N 1 ATOM 1415 C CA . ALA A 1 150 ? 27.821 14.928 39.510 1.00 9.36 ? 151 ALA A CA 1 ATOM 1416 C C . ALA A 1 150 ? 27.696 13.408 39.397 1.00 10.13 ? 151 ALA A C 1 ATOM 1417 O O . ALA A 1 150 ? 27.983 12.837 38.356 1.00 10.31 ? 151 ALA A O 1 ATOM 1418 C CB . ALA A 1 150 ? 29.096 15.286 40.262 1.00 8.92 ? 151 ALA A CB 1 ATOM 1419 H H . ALA A 1 150 ? 26.762 15.983 41.017 1.00 10.23 ? 151 ALA A H 1 ATOM 1420 N N A THR A 1 151 ? 27.222 12.776 40.464 0.61 10.42 ? 152 THR A N 1 ATOM 1421 N N B THR A 1 151 ? 27.225 12.762 40.459 0.39 10.08 ? 152 THR A N 1 ATOM 1422 C CA A THR A 1 151 ? 27.090 11.325 40.528 0.61 9.79 ? 152 THR A CA 1 ATOM 1423 C CA B THR A 1 151 ? 27.103 11.307 40.479 0.39 9.49 ? 152 THR A CA 1 ATOM 1424 C C A THR A 1 151 ? 25.896 10.741 39.784 0.61 10.00 ? 152 THR A C 1 ATOM 1425 C C B THR A 1 151 ? 25.895 10.740 39.752 0.39 9.86 ? 152 THR A C 1 ATOM 1426 O O A THR A 1 151 ? 26.000 9.684 39.167 0.61 10.76 ? 152 THR A O 1 ATOM 1427 O O B THR A 1 151 ? 25.986 9.690 39.116 0.39 10.19 ? 152 THR A O 1 ATOM 1428 C CB A THR A 1 151 ? 27.019 10.858 42.006 0.61 11.17 ? 152 THR A CB 1 ATOM 1429 C CB B THR A 1 151 ? 27.085 10.763 41.924 0.39 10.21 ? 152 THR A CB 1 ATOM 1430 O OG1 A THR A 1 151 ? 28.088 11.458 42.746 0.61 10.14 ? 152 THR A OG1 1 ATOM 1431 O OG1 B THR A 1 151 ? 25.992 11.346 42.643 0.39 8.64 ? 152 THR A OG1 1 ATOM 1432 C CG2 A THR A 1 151 ? 27.126 9.349 42.102 0.61 9.90 ? 152 THR A CG2 1 ATOM 1433 C CG2 B THR A 1 151 ? 28.379 11.098 42.628 0.39 9.45 ? 152 THR A CG2 1 ATOM 1434 H H A THR A 1 151 ? 26.982 13.286 41.262 0.61 10.42 ? 152 THR A H 1 ATOM 1435 H H B THR A 1 151 ? 26.933 13.246 41.260 0.39 10.08 ? 152 THR A H 1 ATOM 1436 H HG1 A THR A 1 151 ? 27.995 11.198 43.678 0.61 10.14 ? 152 THR A HG1 1 ATOM 1437 H HG1 B THR A 1 151 ? 25.890 10.902 43.503 0.39 8.64 ? 152 THR A HG1 1 ATOM 1438 N N . GLU A 1 152 ? 24.758 11.415 39.858 1.00 9.90 ? 153 GLU A N 1 ATOM 1439 C CA . GLU A 1 152 ? 23.547 10.925 39.217 1.00 11.58 ? 153 GLU A CA 1 ATOM 1440 C C . GLU A 1 152 ? 23.238 11.411 37.809 1.00 10.81 ? 153 GLU A C 1 ATOM 1441 O O . GLU A 1 152 ? 22.507 10.741 37.069 1.00 11.78 ? 153 GLU A O 1 ATOM 1442 C CB . GLU A 1 152 ? 22.364 11.169 40.144 1.00 14.21 ? 153 GLU A CB 1 ATOM 1443 C CG . GLU A 1 152 ? 22.542 10.466 41.489 1.00 21.51 ? 153 GLU A CG 1 ATOM 1444 C CD . GLU A 1 152 ? 21.608 10.980 42.568 1.00 26.53 ? 153 GLU A CD 1 ATOM 1445 O OE1 . GLU A 1 152 ? 20.579 11.616 42.238 1.00 29.14 ? 153 GLU A OE1 1 ATOM 1446 O OE2 . GLU A 1 152 ? 21.915 10.742 43.760 1.00 30.95 ? 153 GLU A OE2 1 ATOM 1447 H H . GLU A 1 152 ? 24.740 12.237 40.382 1.00 9.90 ? 153 GLU A H 1 ATOM 1448 N N . ILE A 1 153 ? 23.753 12.576 37.439 1.00 8.68 ? 154 ILE A N 1 ATOM 1449 C CA . ILE A 1 153 ? 23.500 13.107 36.107 1.00 8.62 ? 154 ILE A CA 1 ATOM 1450 C C . ILE A 1 153 ? 24.745 12.988 35.218 1.00 8.91 ? 154 ILE A C 1 ATOM 1451 O O . ILE A 1 153 ? 24.749 12.237 34.240 1.00 7.84 ? 154 ILE A O 1 ATOM 1452 C CB . ILE A 1 153 ? 23.032 14.607 36.157 1.00 9.82 ? 154 ILE A CB 1 ATOM 1453 C CG1 . ILE A 1 153 ? 21.687 14.739 36.890 1.00 11.38 ? 154 ILE A CG1 1 ATOM 1454 C CG2 . ILE A 1 153 ? 22.872 15.165 34.735 1.00 10.84 ? 154 ILE A CG2 1 ATOM 1455 C CD1 . ILE A 1 153 ? 21.297 16.188 37.206 1.00 10.61 ? 154 ILE A CD1 1 ATOM 1456 H H . ILE A 1 153 ? 24.305 13.080 38.074 1.00 8.68 ? 154 ILE A H 1 ATOM 1457 N N . VAL A 1 154 ? 25.820 13.680 35.601 1.00 6.56 ? 155 VAL A N 1 ATOM 1458 C CA . VAL A 1 154 ? 27.038 13.695 34.793 1.00 5.73 ? 155 VAL A CA 1 ATOM 1459 C C . VAL A 1 154 ? 27.751 12.351 34.618 1.00 5.48 ? 155 VAL A C 1 ATOM 1460 O O . VAL A 1 154 ? 27.991 11.930 33.483 1.00 5.32 ? 155 VAL A O 1 ATOM 1461 C CB . VAL A 1 154 ? 28.034 14.784 35.289 1.00 6.20 ? 155 VAL A CB 1 ATOM 1462 C CG1 . VAL A 1 154 ? 29.276 14.821 34.396 1.00 6.71 ? 155 VAL A CG1 1 ATOM 1463 C CG2 . VAL A 1 154 ? 27.352 16.139 35.284 1.00 6.98 ? 155 VAL A CG2 1 ATOM 1464 H H . VAL A 1 154 ? 25.792 14.177 36.445 1.00 6.56 ? 155 VAL A H 1 ATOM 1465 N N . TRP A 1 155 ? 28.072 11.672 35.718 1.00 4.00 ? 156 TRP A N 1 ATOM 1466 C CA . TRP A 1 155 ? 28.769 10.393 35.631 1.00 5.07 ? 156 TRP A CA 1 ATOM 1467 C C . TRP A 1 155 ? 28.089 9.370 34.709 1.00 4.97 ? 156 TRP A C 1 ATOM 1468 O O . TRP A 1 155 ? 28.733 8.845 33.810 1.00 5.84 ? 156 TRP A O 1 ATOM 1469 C CB . TRP A 1 155 ? 29.061 9.802 37.028 1.00 5.18 ? 156 TRP A CB 1 ATOM 1470 C CG . TRP A 1 155 ? 29.490 8.348 37.039 1.00 6.10 ? 156 TRP A CG 1 ATOM 1471 C CD1 . TRP A 1 155 ? 28.882 7.321 37.719 1.00 6.85 ? 156 TRP A CD1 1 ATOM 1472 C CD2 . TRP A 1 155 ? 30.572 7.750 36.304 1.00 7.27 ? 156 TRP A CD2 1 ATOM 1473 N NE1 . TRP A 1 155 ? 29.508 6.134 37.445 1.00 7.24 ? 156 TRP A NE1 1 ATOM 1474 C CE2 . TRP A 1 155 ? 30.548 6.362 36.581 1.00 7.89 ? 156 TRP A CE2 1 ATOM 1475 C CE3 . TRP A 1 155 ? 31.555 8.252 35.435 1.00 7.52 ? 156 TRP A CE3 1 ATOM 1476 C CZ2 . TRP A 1 155 ? 31.469 5.467 36.016 1.00 8.72 ? 156 TRP A CZ2 1 ATOM 1477 C CZ3 . TRP A 1 155 ? 32.476 7.356 34.874 1.00 9.40 ? 156 TRP A CZ3 1 ATOM 1478 C CH2 . TRP A 1 155 ? 32.420 5.980 35.172 1.00 8.25 ? 156 TRP A CH2 1 ATOM 1479 H H . TRP A 1 155 ? 27.843 12.042 36.598 1.00 4.00 ? 156 TRP A H 1 ATOM 1480 H HE1 . TRP A 1 155 ? 29.195 5.280 37.822 1.00 7.24 ? 156 TRP A HE1 1 ATOM 1481 N N . PRO A 1 156 ? 26.782 9.099 34.886 1.00 5.90 ? 157 PRO A N 1 ATOM 1482 C CA . PRO A 1 156 ? 26.144 8.114 33.992 1.00 6.02 ? 157 PRO A CA 1 ATOM 1483 C C . PRO A 1 156 ? 26.227 8.473 32.487 1.00 4.63 ? 157 PRO A C 1 ATOM 1484 O O . PRO A 1 156 ? 26.367 7.588 31.646 1.00 3.88 ? 157 PRO A O 1 ATOM 1485 C CB . PRO A 1 156 ? 24.701 8.071 34.506 1.00 6.99 ? 157 PRO A CB 1 ATOM 1486 C CG . PRO A 1 156 ? 24.849 8.395 35.978 1.00 9.10 ? 157 PRO A CG 1 ATOM 1487 C CD . PRO A 1 156 ? 25.857 9.520 35.960 1.00 5.87 ? 157 PRO A CD 1 ATOM 1488 N N . LEU A 1 157 ? 26.153 9.762 32.154 1.00 3.63 ? 158 LEU A N 1 ATOM 1489 C CA . LEU A 1 157 ? 26.257 10.204 30.756 1.00 3.70 ? 158 LEU A CA 1 ATOM 1490 C C . LEU A 1 157 ? 27.674 9.948 30.235 1.00 4.12 ? 158 LEU A C 1 ATOM 1491 O O . LEU A 1 157 ? 27.866 9.430 29.128 1.00 4.34 ? 158 LEU A O 1 ATOM 1492 C CB . LEU A 1 157 ? 25.916 11.690 30.633 1.00 3.58 ? 158 LEU A CB 1 ATOM 1493 C CG . LEU A 1 157 ? 24.435 12.026 30.842 1.00 5.50 ? 158 LEU A CG 1 ATOM 1494 C CD1 . LEU A 1 157 ? 24.246 13.518 30.993 1.00 6.04 ? 158 LEU A CD1 1 ATOM 1495 C CD2 . LEU A 1 157 ? 23.608 11.499 29.674 1.00 5.61 ? 158 LEU A CD2 1 ATOM 1496 H H . LEU A 1 157 ? 26.024 10.439 32.850 1.00 3.63 ? 158 LEU A H 1 ATOM 1497 N N . VAL A 1 158 ? 28.659 10.331 31.038 1.00 3.27 ? 159 VAL A N 1 ATOM 1498 C CA . VAL A 1 158 ? 30.065 10.131 30.711 1.00 3.37 ? 159 VAL A CA 1 ATOM 1499 C C . VAL A 1 158 ? 30.386 8.640 30.576 1.00 4.27 ? 159 VAL A C 1 ATOM 1500 O O . VAL A 1 158 ? 31.103 8.242 29.663 1.00 5.28 ? 159 VAL A O 1 ATOM 1501 C CB . VAL A 1 158 ? 30.950 10.778 31.799 1.00 3.45 ? 159 VAL A CB 1 ATOM 1502 C CG1 . VAL A 1 158 ? 32.404 10.372 31.633 1.00 5.29 ? 159 VAL A CG1 1 ATOM 1503 C CG2 . VAL A 1 158 ? 30.808 12.307 31.718 1.00 4.56 ? 159 VAL A CG2 1 ATOM 1504 H H . VAL A 1 158 ? 28.435 10.787 31.875 1.00 3.27 ? 159 VAL A H 1 ATOM 1505 N N . ARG A 1 159 ? 29.851 7.819 31.477 1.00 3.52 ? 160 ARG A N 1 ATOM 1506 C CA . ARG A 1 159 ? 30.085 6.375 31.458 1.00 3.47 ? 160 ARG A CA 1 ATOM 1507 C C . ARG A 1 159 ? 29.702 5.762 30.106 1.00 4.58 ? 160 ARG A C 1 ATOM 1508 O O . ARG A 1 159 ? 30.391 4.866 29.621 1.00 4.44 ? 160 ARG A O 1 ATOM 1509 C CB . ARG A 1 159 ? 29.315 5.700 32.603 1.00 3.46 ? 160 ARG A CB 1 ATOM 1510 C CG . ARG A 1 159 ? 29.727 4.251 32.895 1.00 4.79 ? 160 ARG A CG 1 ATOM 1511 C CD . ARG A 1 159 ? 28.930 3.684 34.075 1.00 5.63 ? 160 ARG A CD 1 ATOM 1512 N NE . ARG A 1 159 ? 27.490 3.772 33.820 1.00 6.83 ? 160 ARG A NE 1 ATOM 1513 C CZ . ARG A 1 159 ? 26.537 3.619 34.740 1.00 9.51 ? 160 ARG A CZ 1 ATOM 1514 N NH1 . ARG A 1 159 ? 26.848 3.349 36.008 1.00 9.05 ? 160 ARG A NH1 1 ATOM 1515 N NH2 . ARG A 1 159 ? 25.266 3.791 34.394 1.00 8.15 ? 160 ARG A NH2 1 ATOM 1516 H H . ARG A 1 159 ? 29.290 8.204 32.169 1.00 3.52 ? 160 ARG A H 1 ATOM 1517 H HE . ARG A 1 159 ? 27.208 3.955 32.897 1.00 6.83 ? 160 ARG A HE 1 ATOM 1518 H HH11 . ARG A 1 159 ? 27.809 3.234 36.293 1.00 9.05 ? 160 ARG A HH11 1 ATOM 1519 H HH12 . ARG A 1 159 ? 26.149 3.248 36.724 1.00 9.05 ? 160 ARG A HH12 1 ATOM 1520 H HH21 . ARG A 1 159 ? 25.054 4.061 33.443 1.00 8.15 ? 160 ARG A HH21 1 ATOM 1521 H HH22 . ARG A 1 159 ? 24.519 3.723 35.055 1.00 8.15 ? 160 ARG A HH22 1 ATOM 1522 N N . ASN A 1 160 ? 28.618 6.252 29.501 1.00 3.66 ? 161 ASN A N 1 ATOM 1523 C CA . ASN A 1 160 ? 28.175 5.771 28.190 1.00 3.18 ? 161 ASN A CA 1 ATOM 1524 C C . ASN A 1 160 ? 29.222 6.080 27.114 1.00 3.03 ? 161 ASN A C 1 ATOM 1525 O O . ASN A 1 160 ? 29.644 5.193 26.366 1.00 3.00 ? 161 ASN A O 1 ATOM 1526 C CB . ASN A 1 160 ? 26.836 6.409 27.783 1.00 3.02 ? 161 ASN A CB 1 ATOM 1527 C CG . ASN A 1 160 ? 25.647 5.773 28.479 1.00 4.10 ? 161 ASN A CG 1 ATOM 1528 O OD1 . ASN A 1 160 ? 25.687 4.600 28.866 1.00 4.78 ? 161 ASN A OD1 1 ATOM 1529 N ND2 . ASN A 1 160 ? 24.577 6.545 28.641 1.00 3.32 ? 161 ASN A ND2 1 ATOM 1530 H H . ASN A 1 160 ? 28.101 6.945 29.960 1.00 3.66 ? 161 ASN A H 1 ATOM 1531 H HD21 . ASN A 1 160 ? 23.787 6.170 29.085 1.00 3.32 ? 161 ASN A HD21 1 ATOM 1532 H HD22 . ASN A 1 160 ? 24.604 7.467 28.311 1.00 3.32 ? 161 ASN A HD22 1 ATOM 1533 N N . ASP A 1 161 ? 29.667 7.332 27.063 1.00 3.02 ? 162 ASP A N 1 ATOM 1534 C CA . ASP A 1 161 ? 30.652 7.756 26.074 1.00 3.00 ? 162 ASP A CA 1 ATOM 1535 C C . ASP A 1 161 ? 32.006 7.075 26.255 1.00 3.99 ? 162 ASP A C 1 ATOM 1536 O O . ASP A 1 161 ? 32.631 6.671 25.271 1.00 4.03 ? 162 ASP A O 1 ATOM 1537 C CB . ASP A 1 161 ? 30.786 9.281 26.071 1.00 3.12 ? 162 ASP A CB 1 ATOM 1538 C CG . ASP A 1 161 ? 29.603 9.963 25.398 1.00 5.61 ? 162 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 161 ? 29.094 9.425 24.397 1.00 7.51 ? 162 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 161 ? 29.185 11.043 25.856 1.00 5.78 ? 162 ASP A OD2 1 ATOM 1541 H H . ASP A 1 161 ? 29.329 8.004 27.695 1.00 3.02 ? 162 ASP A H 1 ATOM 1542 N N . LEU A 1 162 ? 32.445 6.907 27.503 1.00 3.00 ? 163 LEU A N 1 ATOM 1543 C CA . LEU A 1 162 ? 33.723 6.236 27.764 1.00 3.11 ? 163 LEU A CA 1 ATOM 1544 C C . LEU A 1 162 ? 33.674 4.768 27.324 1.00 3.43 ? 163 LEU A C 1 ATOM 1545 O O . LEU A 1 162 ? 34.664 4.227 26.846 1.00 3.27 ? 163 LEU A O 1 ATOM 1546 C CB . LEU A 1 162 ? 34.092 6.326 29.248 1.00 3.74 ? 163 LEU A CB 1 ATOM 1547 C CG . LEU A 1 162 ? 34.347 7.729 29.810 1.00 6.98 ? 163 LEU A CG 1 ATOM 1548 C CD1 . LEU A 1 162 ? 34.656 7.621 31.294 1.00 8.69 ? 163 LEU A CD1 1 ATOM 1549 C CD2 . LEU A 1 162 ? 35.485 8.413 29.069 1.00 8.63 ? 163 LEU A CD2 1 ATOM 1550 H H . LEU A 1 162 ? 31.904 7.267 28.237 1.00 3.00 ? 163 LEU A H 1 ATOM 1551 N N . SER A 1 163 ? 32.521 4.120 27.495 1.00 3.15 ? 164 SER A N 1 ATOM 1552 C CA . SER A 1 163 ? 32.360 2.732 27.084 1.00 3.00 ? 164 SER A CA 1 ATOM 1553 C C . SER A 1 163 ? 32.479 2.636 25.565 1.00 3.51 ? 164 SER A C 1 ATOM 1554 O O . SER A 1 163 ? 33.062 1.682 25.046 1.00 3.09 ? 164 SER A O 1 ATOM 1555 C CB . SER A 1 163 ? 31.001 2.178 27.549 1.00 4.41 ? 164 SER A CB 1 ATOM 1556 O OG . SER A 1 163 ? 30.971 2.085 28.967 1.00 4.49 ? 164 SER A OG 1 ATOM 1557 H H . SER A 1 163 ? 31.756 4.577 27.909 1.00 3.15 ? 164 SER A H 1 ATOM 1558 H HG . SER A 1 163 ? 30.789 2.968 29.326 1.00 4.49 ? 164 SER A HG 1 ATOM 1559 N N . TYR A 1 164 ? 31.911 3.612 24.856 1.00 3.09 ? 165 TYR A N 1 ATOM 1560 C CA . TYR A 1 164 ? 31.993 3.615 23.400 1.00 3.04 ? 165 TYR A CA 1 ATOM 1561 C C . TYR A 1 164 ? 33.457 3.728 22.976 1.00 3.58 ? 165 TYR A C 1 ATOM 1562 O O . TYR A 1 164 ? 33.920 2.960 22.136 1.00 3.79 ? 165 TYR A O 1 ATOM 1563 C CB . TYR A 1 164 ? 31.192 4.778 22.804 1.00 3.75 ? 165 TYR A CB 1 ATOM 1564 C CG . TYR A 1 164 ? 31.293 4.835 21.296 1.00 4.65 ? 165 TYR A CG 1 ATOM 1565 C CD1 . TYR A 1 164 ? 32.361 5.492 20.668 1.00 4.06 ? 165 TYR A CD1 1 ATOM 1566 C CD2 . TYR A 1 164 ? 30.349 4.204 20.496 1.00 3.56 ? 165 TYR A CD2 1 ATOM 1567 C CE1 . TYR A 1 164 ? 32.484 5.513 19.275 1.00 4.93 ? 165 TYR A CE1 1 ATOM 1568 C CE2 . TYR A 1 164 ? 30.458 4.217 19.097 1.00 4.77 ? 165 TYR A CE2 1 ATOM 1569 C CZ . TYR A 1 164 ? 31.530 4.873 18.499 1.00 4.07 ? 165 TYR A CZ 1 ATOM 1570 O OH . TYR A 1 164 ? 31.642 4.891 17.127 1.00 5.03 ? 165 TYR A OH 1 ATOM 1571 H H . TYR A 1 164 ? 31.429 4.340 25.315 1.00 3.09 ? 165 TYR A H 1 ATOM 1572 H HH . TYR A 1 164 ? 30.839 4.517 16.749 1.00 5.03 ? 165 TYR A HH 1 ATOM 1573 N N . VAL A 1 165 ? 34.191 4.666 23.567 1.00 3.10 ? 166 VAL A N 1 ATOM 1574 C CA . VAL A 1 165 ? 35.599 4.847 23.213 1.00 3.65 ? 166 VAL A CA 1 ATOM 1575 C C . VAL A 1 165 ? 36.449 3.581 23.451 1.00 4.48 ? 166 VAL A C 1 ATOM 1576 O O . VAL A 1 165 ? 37.220 3.180 22.577 1.00 4.58 ? 166 VAL A O 1 ATOM 1577 C CB . VAL A 1 165 ? 36.219 6.061 23.958 1.00 4.51 ? 166 VAL A CB 1 ATOM 1578 C CG1 . VAL A 1 165 ? 37.735 6.140 23.697 1.00 3.24 ? 166 VAL A CG1 1 ATOM 1579 C CG2 . VAL A 1 165 ? 35.532 7.353 23.522 1.00 3.42 ? 166 VAL A CG2 1 ATOM 1580 H H . VAL A 1 165 ? 33.778 5.254 24.235 1.00 3.10 ? 166 VAL A H 1 ATOM 1581 N N . ALA A 1 166 ? 36.293 2.936 24.609 1.00 4.03 ? 167 ALA A N 1 ATOM 1582 C CA . ALA A 1 166 ? 37.074 1.735 24.920 1.00 3.82 ? 167 ALA A CA 1 ATOM 1583 C C . ALA A 1 166 ? 36.739 0.549 24.017 1.00 5.32 ? 167 ALA A C 1 ATOM 1584 O O . ALA A 1 166 ? 37.595 -0.288 23.711 1.00 5.89 ? 167 ALA A O 1 ATOM 1585 C CB . ALA A 1 166 ? 36.871 1.339 26.378 1.00 3.01 ? 167 ALA A CB 1 ATOM 1586 H H . ALA A 1 166 ? 35.657 3.278 25.273 1.00 4.03 ? 167 ALA A H 1 ATOM 1587 N N . GLN A 1 167 ? 35.494 0.493 23.567 1.00 4.13 ? 168 GLN A N 1 ATOM 1588 C CA . GLN A 1 167 ? 35.047 -0.612 22.743 1.00 4.68 ? 168 GLN A CA 1 ATOM 1589 C C . GLN A 1 167 ? 35.439 -0.498 21.274 1.00 5.77 ? 168 GLN A C 1 ATOM 1590 O O . GLN A 1 167 ? 35.717 -1.507 20.628 1.00 5.43 ? 168 GLN A O 1 ATOM 1591 C CB . GLN A 1 167 ? 33.512 -0.747 22.851 1.00 5.40 ? 168 GLN A CB 1 ATOM 1592 C CG . GLN A 1 167 ? 32.960 -2.020 22.212 1.00 7.25 ? 168 GLN A CG 1 ATOM 1593 C CD . GLN A 1 167 ? 31.452 -2.175 22.330 1.00 8.64 ? 168 GLN A CD 1 ATOM 1594 O OE1 . GLN A 1 167 ? 30.878 -3.084 21.737 1.00 13.27 ? 168 GLN A OE1 1 ATOM 1595 N NE2 . GLN A 1 167 ? 30.808 -1.297 23.067 1.00 5.61 ? 168 GLN A NE2 1 ATOM 1596 H H . GLN A 1 167 ? 34.864 1.201 23.805 1.00 4.13 ? 168 GLN A H 1 ATOM 1597 H HE21 . GLN A 1 167 ? 29.831 -1.370 23.071 1.00 5.61 ? 168 GLN A HE21 1 ATOM 1598 H HE22 . GLN A 1 167 ? 31.260 -0.582 23.545 1.00 5.61 ? 168 GLN A HE22 1 ATOM 1599 N N . TYR A 1 168 ? 35.501 0.725 20.758 1.00 4.07 ? 169 TYR A N 1 ATOM 1600 C CA . TYR A 1 168 ? 35.745 0.893 19.333 1.00 5.22 ? 169 TYR A CA 1 ATOM 1601 C C . TYR A 1 168 ? 36.948 1.703 18.893 1.00 5.50 ? 169 TYR A C 1 ATOM 1602 O O . TYR A 1 168 ? 37.080 1.979 17.699 1.00 4.96 ? 169 TYR A O 1 ATOM 1603 C CB . TYR A 1 168 ? 34.503 1.529 18.690 1.00 5.12 ? 169 TYR A CB 1 ATOM 1604 C CG . TYR A 1 168 ? 33.207 0.766 18.882 1.00 7.03 ? 169 TYR A CG 1 ATOM 1605 C CD1 . TYR A 1 168 ? 32.957 -0.404 18.171 1.00 8.15 ? 169 TYR A CD1 1 ATOM 1606 C CD2 . TYR A 1 168 ? 32.203 1.258 19.723 1.00 7.15 ? 169 TYR A CD2 1 ATOM 1607 C CE1 . TYR A 1 168 ? 31.731 -1.065 18.278 1.00 10.50 ? 169 TYR A CE1 1 ATOM 1608 C CE2 . TYR A 1 168 ? 30.974 0.609 19.843 1.00 10.10 ? 169 TYR A CE2 1 ATOM 1609 C CZ . TYR A 1 168 ? 30.743 -0.552 19.112 1.00 11.68 ? 169 TYR A CZ 1 ATOM 1610 O OH . TYR A 1 168 ? 29.509 -1.171 19.194 1.00 13.88 ? 169 TYR A OH 1 ATOM 1611 H H . TYR A 1 168 ? 35.375 1.513 21.333 1.00 4.07 ? 169 TYR A H 1 ATOM 1612 H HH . TYR A 1 168 ? 29.404 -1.770 18.433 1.00 13.88 ? 169 TYR A HH 1 ATOM 1613 N N . TRP A 1 169 ? 37.836 2.072 19.807 1.00 3.83 ? 170 TRP A N 1 ATOM 1614 C CA . TRP A 1 169 ? 38.970 2.892 19.404 1.00 5.10 ? 170 TRP A CA 1 ATOM 1615 C C . TRP A 1 169 ? 39.831 2.277 18.292 1.00 4.70 ? 170 TRP A C 1 ATOM 1616 O O . TRP A 1 169 ? 40.321 2.995 17.420 1.00 5.22 ? 170 TRP A O 1 ATOM 1617 C CB . TRP A 1 169 ? 39.841 3.250 20.619 1.00 4.85 ? 170 TRP A CB 1 ATOM 1618 C CG . TRP A 1 169 ? 40.610 2.093 21.209 1.00 4.86 ? 170 TRP A CG 1 ATOM 1619 C CD1 . TRP A 1 169 ? 40.244 1.313 22.268 1.00 4.98 ? 170 TRP A CD1 1 ATOM 1620 C CD2 . TRP A 1 169 ? 41.883 1.595 20.763 1.00 5.65 ? 170 TRP A CD2 1 ATOM 1621 N NE1 . TRP A 1 169 ? 41.205 0.357 22.509 1.00 5.37 ? 170 TRP A NE1 1 ATOM 1622 C CE2 . TRP A 1 169 ? 42.221 0.502 21.600 1.00 4.52 ? 170 TRP A CE2 1 ATOM 1623 C CE3 . TRP A 1 169 ? 42.768 1.964 19.735 1.00 6.37 ? 170 TRP A CE3 1 ATOM 1624 C CZ2 . TRP A 1 169 ? 43.411 -0.233 21.445 1.00 6.04 ? 170 TRP A CZ2 1 ATOM 1625 C CZ3 . TRP A 1 169 ? 43.962 1.228 19.577 1.00 7.62 ? 170 TRP A CZ3 1 ATOM 1626 C CH2 . TRP A 1 169 ? 44.265 0.140 20.432 1.00 6.83 ? 170 TRP A CH2 1 ATOM 1627 H H . TRP A 1 169 ? 37.731 1.820 20.748 1.00 3.83 ? 170 TRP A H 1 ATOM 1628 H HE1 . TRP A 1 169 ? 41.161 -0.331 23.212 1.00 5.37 ? 170 TRP A HE1 1 ATOM 1629 N N . ASN A 1 170 ? 39.966 0.951 18.308 1.00 4.70 ? 171 ASN A N 1 ATOM 1630 C CA . ASN A 1 170 ? 40.801 0.214 17.357 1.00 4.52 ? 171 ASN A CA 1 ATOM 1631 C C . ASN A 1 170 ? 40.101 -0.172 16.044 1.00 5.64 ? 171 ASN A C 1 ATOM 1632 O O . ASN A 1 170 ? 40.482 -1.144 15.394 1.00 6.98 ? 171 ASN A O 1 ATOM 1633 C CB . ASN A 1 170 ? 41.381 -1.014 18.077 1.00 4.13 ? 171 ASN A CB 1 ATOM 1634 C CG . ASN A 1 170 ? 42.573 -1.642 17.359 1.00 5.81 ? 171 ASN A CG 1 ATOM 1635 O OD1 . ASN A 1 170 ? 42.706 -2.866 17.367 1.00 7.61 ? 171 ASN A OD1 1 ATOM 1636 N ND2 . ASN A 1 170 ? 43.458 -0.834 16.780 1.00 5.92 ? 171 ASN A ND2 1 ATOM 1637 H H . ASN A 1 170 ? 39.478 0.434 18.985 1.00 4.70 ? 171 ASN A H 1 ATOM 1638 H HD21 . ASN A 1 170 ? 43.327 0.140 16.770 1.00 5.92 ? 171 ASN A HD21 1 ATOM 1639 N N . GLN A 1 171 ? 39.070 0.588 15.671 1.00 5.12 ? 172 GLN A N 1 ATOM 1640 C CA . GLN A 1 171 ? 38.325 0.368 14.433 1.00 6.24 ? 172 GLN A CA 1 ATOM 1641 C C . GLN A 1 171 ? 38.376 1.640 13.597 1.00 6.56 ? 172 GLN A C 1 ATOM 1642 O O . GLN A 1 171 ? 38.360 2.751 14.136 1.00 7.45 ? 172 GLN A O 1 ATOM 1643 C CB . GLN A 1 171 ? 36.854 0.048 14.729 1.00 5.63 ? 172 GLN A CB 1 ATOM 1644 C CG . GLN A 1 171 ? 36.636 -1.241 15.503 1.00 6.44 ? 172 GLN A CG 1 ATOM 1645 C CD . GLN A 1 171 ? 37.107 -2.482 14.750 1.00 9.45 ? 172 GLN A CD 1 ATOM 1646 O OE1 . GLN A 1 171 ? 37.799 -3.342 15.309 1.00 12.91 ? 172 GLN A OE1 1 ATOM 1647 N NE2 . GLN A 1 171 ? 36.737 -2.585 13.486 1.00 7.00 ? 172 GLN A NE2 1 ATOM 1648 H H . GLN A 1 171 ? 38.802 1.363 16.211 1.00 5.12 ? 172 GLN A H 1 ATOM 1649 H HE21 . GLN A 1 171 ? 36.952 -3.415 13.005 1.00 7.00 ? 172 GLN A HE21 1 ATOM 1650 H HE22 . GLN A 1 171 ? 36.216 -1.846 13.103 1.00 7.00 ? 172 GLN A HE22 1 ATOM 1651 N N . THR A 1 172 ? 38.375 1.491 12.278 1.00 4.70 ? 173 THR A N 1 ATOM 1652 C CA . THR A 1 172 ? 38.391 2.655 11.411 1.00 5.55 ? 173 THR A CA 1 ATOM 1653 C C . THR A 1 172 ? 37.074 3.442 11.498 1.00 6.52 ? 173 THR A C 1 ATOM 1654 O O . THR A 1 172 ? 36.064 2.930 11.998 1.00 6.59 ? 173 THR A O 1 ATOM 1655 C CB . THR A 1 172 ? 38.637 2.232 9.957 1.00 5.67 ? 173 THR A CB 1 ATOM 1656 O OG1 . THR A 1 172 ? 37.661 1.245 9.571 1.00 5.65 ? 173 THR A OG1 1 ATOM 1657 C CG2 . THR A 1 172 ? 40.053 1.655 9.812 1.00 7.07 ? 173 THR A CG2 1 ATOM 1658 H H . THR A 1 172 ? 38.348 0.602 11.876 1.00 4.70 ? 173 THR A H 1 ATOM 1659 H HG1 . THR A 1 172 ? 37.837 1.024 8.637 1.00 5.65 ? 173 THR A HG1 1 ATOM 1660 N N . GLY A 1 173 ? 37.114 4.685 11.034 1.00 5.56 ? 174 GLY A N 1 ATOM 1661 C CA . GLY A 1 173 ? 35.953 5.558 11.017 1.00 5.73 ? 174 GLY A CA 1 ATOM 1662 C C . GLY A 1 173 ? 36.385 6.826 10.303 1.00 5.29 ? 174 GLY A C 1 ATOM 1663 O O . GLY A 1 173 ? 37.514 6.903 9.820 1.00 6.76 ? 174 GLY A O 1 ATOM 1664 H H . GLY A 1 173 ? 37.959 5.061 10.694 1.00 5.56 ? 174 GLY A H 1 ATOM 1665 N N . TYR A 1 174 ? 35.518 7.825 10.207 1.00 3.84 ? 175 TYR A N 1 ATOM 1666 C CA . TYR A 1 174 ? 35.910 9.056 9.527 1.00 4.54 ? 175 TYR A CA 1 ATOM 1667 C C . TYR A 1 174 ? 36.647 10.019 10.446 1.00 4.70 ? 175 TYR A C 1 ATOM 1668 O O . TYR A 1 174 ? 36.439 10.014 11.671 1.00 4.67 ? 175 TYR A O 1 ATOM 1669 C CB . TYR A 1 174 ? 34.707 9.746 8.881 1.00 4.13 ? 175 TYR A CB 1 ATOM 1670 C CG . TYR A 1 174 ? 34.243 9.036 7.638 1.00 4.05 ? 175 TYR A CG 1 ATOM 1671 C CD1 . TYR A 1 174 ? 33.451 7.889 7.721 1.00 5.38 ? 175 TYR A CD1 1 ATOM 1672 C CD2 . TYR A 1 174 ? 34.656 9.465 6.380 1.00 6.43 ? 175 TYR A CD2 1 ATOM 1673 C CE1 . TYR A 1 174 ? 33.089 7.181 6.584 1.00 7.07 ? 175 TYR A CE1 1 ATOM 1674 C CE2 . TYR A 1 174 ? 34.293 8.761 5.233 1.00 7.24 ? 175 TYR A CE2 1 ATOM 1675 C CZ . TYR A 1 174 ? 33.514 7.623 5.346 1.00 7.99 ? 175 TYR A CZ 1 ATOM 1676 O OH . TYR A 1 174 ? 33.180 6.917 4.215 1.00 11.02 ? 175 TYR A OH 1 ATOM 1677 H H . TYR A 1 174 ? 34.641 7.746 10.633 1.00 3.84 ? 175 TYR A H 1 ATOM 1678 H HH . TYR A 1 174 ? 32.467 6.268 4.371 1.00 11.02 ? 175 TYR A HH 1 ATOM 1679 N N . ASP A 1 175 ? 37.512 10.834 9.848 1.00 3.77 ? 176 ASP A N 1 ATOM 1680 C CA . ASP A 1 175 ? 38.299 11.826 10.586 1.00 4.36 ? 176 ASP A CA 1 ATOM 1681 C C . ASP A 1 175 ? 37.463 13.061 10.964 1.00 3.65 ? 176 ASP A C 1 ATOM 1682 O O . ASP A 1 175 ? 36.299 13.182 10.565 1.00 3.10 ? 176 ASP A O 1 ATOM 1683 C CB . ASP A 1 175 ? 39.524 12.249 9.750 1.00 3.68 ? 176 ASP A CB 1 ATOM 1684 C CG . ASP A 1 175 ? 39.148 13.050 8.514 1.00 5.84 ? 176 ASP A CG 1 ATOM 1685 O OD1 . ASP A 1 175 ? 38.195 12.670 7.800 1.00 6.84 ? 176 ASP A OD1 1 ATOM 1686 O OD2 . ASP A 1 175 ? 39.791 14.078 8.250 1.00 5.88 ? 176 ASP A OD2 1 ATOM 1687 H H . ASP A 1 175 ? 37.632 10.765 8.879 1.00 3.77 ? 176 ASP A H 1 ATOM 1688 N N . LEU A 1 176 ? 38.070 14.003 11.686 1.00 3.48 ? 177 LEU A N 1 ATOM 1689 C CA . LEU A 1 176 ? 37.348 15.202 12.103 1.00 3.87 ? 177 LEU A CA 1 ATOM 1690 C C . LEU A 1 176 ? 36.859 16.051 10.935 1.00 4.52 ? 177 LEU A C 1 ATOM 1691 O O . LEU A 1 176 ? 35.924 16.833 11.093 1.00 5.33 ? 177 LEU A O 1 ATOM 1692 C CB . LEU A 1 176 ? 38.183 16.057 13.073 1.00 3.94 ? 177 LEU A CB 1 ATOM 1693 C CG . LEU A 1 176 ? 39.261 17.010 12.528 1.00 5.56 ? 177 LEU A CG 1 ATOM 1694 C CD1 . LEU A 1 176 ? 39.751 17.897 13.665 1.00 5.89 ? 177 LEU A CD1 1 ATOM 1695 C CD2 . LEU A 1 176 ? 40.424 16.244 11.882 1.00 4.20 ? 177 LEU A CD2 1 ATOM 1696 H H . LEU A 1 176 ? 38.999 13.869 11.979 1.00 3.48 ? 177 LEU A H 1 ATOM 1697 N N . TRP A 1 177 ? 37.512 15.939 9.779 1.00 3.18 ? 178 TRP A N 1 ATOM 1698 C CA . TRP A 1 177 ? 37.093 16.713 8.613 1.00 4.20 ? 178 TRP A CA 1 ATOM 1699 C C . TRP A 1 177 ? 35.985 15.983 7.840 1.00 4.14 ? 178 TRP A C 1 ATOM 1700 O O . TRP A 1 177 ? 35.521 16.469 6.805 1.00 4.37 ? 178 TRP A O 1 ATOM 1701 C CB . TRP A 1 177 ? 38.269 17.028 7.682 1.00 3.35 ? 178 TRP A CB 1 ATOM 1702 C CG . TRP A 1 177 ? 39.481 17.742 8.303 1.00 3.81 ? 178 TRP A CG 1 ATOM 1703 C CD1 . TRP A 1 177 ? 40.790 17.479 8.014 1.00 3.76 ? 178 TRP A CD1 1 ATOM 1704 C CD2 . TRP A 1 177 ? 39.493 18.886 9.198 1.00 4.44 ? 178 TRP A CD2 1 ATOM 1705 N NE1 . TRP A 1 177 ? 41.611 18.389 8.642 1.00 3.66 ? 178 TRP A NE1 1 ATOM 1706 C CE2 . TRP A 1 177 ? 40.852 19.258 9.377 1.00 3.78 ? 178 TRP A CE2 1 ATOM 1707 C CE3 . TRP A 1 177 ? 38.501 19.631 9.853 1.00 5.04 ? 178 TRP A CE3 1 ATOM 1708 C CZ2 . TRP A 1 177 ? 41.247 20.347 10.180 1.00 5.46 ? 178 TRP A CZ2 1 ATOM 1709 C CZ3 . TRP A 1 177 ? 38.893 20.722 10.661 1.00 6.98 ? 178 TRP A CZ3 1 ATOM 1710 C CH2 . TRP A 1 177 ? 40.259 21.065 10.811 1.00 7.43 ? 178 TRP A CH2 1 ATOM 1711 H H . TRP A 1 177 ? 38.271 15.330 9.708 1.00 3.18 ? 178 TRP A H 1 ATOM 1712 H HE1 . TRP A 1 177 ? 42.575 18.430 8.516 1.00 3.66 ? 178 TRP A HE1 1 ATOM 1713 N N . GLU A 1 178 ? 35.606 14.798 8.326 1.00 4.03 ? 179 GLU A N 1 ATOM 1714 C CA . GLU A 1 178 ? 34.510 13.996 7.760 1.00 3.85 ? 179 GLU A CA 1 ATOM 1715 C C . GLU A 1 178 ? 34.743 13.504 6.329 1.00 5.72 ? 179 GLU A C 1 ATOM 1716 O O . GLU A 1 178 ? 33.783 13.277 5.585 1.00 5.74 ? 179 GLU A O 1 ATOM 1717 C CB . GLU A 1 178 ? 33.221 14.834 7.781 1.00 3.04 ? 179 GLU A CB 1 ATOM 1718 C CG . GLU A 1 178 ? 33.071 15.735 9.016 1.00 3.00 ? 179 GLU A CG 1 ATOM 1719 C CD . GLU A 1 178 ? 31.668 16.296 9.160 1.00 3.83 ? 179 GLU A CD 1 ATOM 1720 O OE1 . GLU A 1 178 ? 30.826 15.603 9.751 1.00 4.96 ? 179 GLU A OE1 1 ATOM 1721 O OE2 . GLU A 1 178 ? 31.408 17.427 8.700 1.00 3.84 ? 179 GLU A OE2 1 ATOM 1722 H H . GLU A 1 178 ? 36.066 14.440 9.102 1.00 4.03 ? 179 GLU A H 1 ATOM 1723 N N . GLU A 1 179 ? 35.996 13.240 5.978 1.00 4.20 ? 180 GLU A N 1 ATOM 1724 C CA . GLU A 1 179 ? 36.319 12.863 4.600 1.00 5.64 ? 180 GLU A CA 1 ATOM 1725 C C . GLU A 1 179 ? 37.122 11.585 4.417 1.00 6.59 ? 180 GLU A C 1 ATOM 1726 O O . GLU A 1 179 ? 36.972 10.898 3.403 1.00 7.32 ? 180 GLU A O 1 ATOM 1727 C CB . GLU A 1 179 ? 37.090 14.019 3.933 1.00 5.80 ? 180 GLU A CB 1 ATOM 1728 C CG . GLU A 1 179 ? 36.327 15.343 3.876 1.00 4.32 ? 180 GLU A CG 1 ATOM 1729 C CD . GLU A 1 179 ? 37.219 16.558 3.711 1.00 6.77 ? 180 GLU A CD 1 ATOM 1730 O OE1 . GLU A 1 179 ? 38.418 16.484 4.047 1.00 7.86 ? 180 GLU A OE1 1 ATOM 1731 O OE2 . GLU A 1 179 ? 36.720 17.610 3.265 1.00 5.62 ? 180 GLU A OE2 1 ATOM 1732 H H . GLU A 1 179 ? 36.707 13.323 6.641 1.00 4.20 ? 180 GLU A H 1 ATOM 1733 N N . VAL A 1 180 ? 37.990 11.277 5.374 1.00 4.75 ? 181 VAL A N 1 ATOM 1734 C CA . VAL A 1 180 ? 38.839 10.105 5.273 1.00 6.19 ? 181 VAL A CA 1 ATOM 1735 C C . VAL A 1 180 ? 38.402 8.948 6.163 1.00 6.51 ? 181 VAL A C 1 ATOM 1736 O O . VAL A 1 180 ? 38.380 9.071 7.382 1.00 6.57 ? 181 VAL A O 1 ATOM 1737 C CB . VAL A 1 180 ? 40.320 10.467 5.625 1.00 6.47 ? 181 VAL A CB 1 ATOM 1738 C CG1 . VAL A 1 180 ? 41.213 9.248 5.491 1.00 8.49 ? 181 VAL A CG1 1 ATOM 1739 C CG2 . VAL A 1 180 ? 40.831 11.600 4.734 1.00 7.74 ? 181 VAL A CG2 1 ATOM 1740 H H . VAL A 1 180 ? 38.083 11.850 6.144 1.00 4.75 ? 181 VAL A H 1 ATOM 1741 N N . ASN A 1 181 ? 38.052 7.825 5.548 1.00 6.37 ? 182 ASN A N 1 ATOM 1742 C CA . ASN A 1 181 ? 37.678 6.640 6.304 1.00 7.07 ? 182 ASN A CA 1 ATOM 1743 C C . ASN A 1 181 ? 38.981 5.874 6.608 1.00 8.30 ? 182 ASN A C 1 ATOM 1744 O O . ASN A 1 181 ? 39.544 5.216 5.722 1.00 8.11 ? 182 ASN A O 1 ATOM 1745 C CB . ASN A 1 181 ? 36.729 5.768 5.487 1.00 9.12 ? 182 ASN A CB 1 ATOM 1746 C CG . ASN A 1 181 ? 36.266 4.543 6.249 1.00 12.69 ? 182 ASN A CG 1 ATOM 1747 O OD1 . ASN A 1 181 ? 36.044 3.489 5.670 1.00 19.81 ? 182 ASN A OD1 1 ATOM 1748 N ND2 . ASN A 1 181 ? 36.115 4.678 7.549 1.00 13.82 ? 182 ASN A ND2 1 ATOM 1749 H H . ASN A 1 181 ? 38.052 7.781 4.566 1.00 6.37 ? 182 ASN A H 1 ATOM 1750 H HD21 . ASN A 1 181 ? 35.741 3.911 8.006 1.00 13.82 ? 182 ASN A HD21 1 ATOM 1751 H HD22 . ASN A 1 181 ? 36.315 5.507 8.025 1.00 13.82 ? 182 ASN A HD22 1 ATOM 1752 N N . GLY A 1 182 ? 39.463 5.977 7.846 1.00 6.83 ? 183 GLY A N 1 ATOM 1753 C CA . GLY A 1 182 ? 40.704 5.317 8.226 1.00 7.37 ? 183 GLY A CA 1 ATOM 1754 C C . GLY A 1 182 ? 40.929 5.443 9.722 1.00 7.49 ? 183 GLY A C 1 ATOM 1755 O O . GLY A 1 182 ? 39.989 5.245 10.491 1.00 7.73 ? 183 GLY A O 1 ATOM 1756 H H . GLY A 1 182 ? 38.997 6.513 8.529 1.00 6.83 ? 183 GLY A H 1 ATOM 1757 N N . SER A 1 183 ? 42.159 5.742 10.139 1.00 6.53 ? 184 SER A N 1 ATOM 1758 C CA . SER A 1 183 ? 42.487 5.898 11.561 1.00 5.54 ? 184 SER A CA 1 ATOM 1759 C C . SER A 1 183 ? 43.188 7.246 11.632 1.00 6.20 ? 184 SER A C 1 ATOM 1760 O O . SER A 1 183 ? 44.192 7.458 10.948 1.00 6.09 ? 184 SER A O 1 ATOM 1761 C CB . SER A 1 183 ? 43.396 4.778 12.039 1.00 6.56 ? 184 SER A CB 1 ATOM 1762 O OG . SER A 1 183 ? 43.491 4.834 13.449 1.00 7.49 ? 184 SER A OG 1 ATOM 1763 H H . SER A 1 183 ? 42.868 5.892 9.475 1.00 6.53 ? 184 SER A H 1 ATOM 1764 H HG . SER A 1 183 ? 44.095 4.124 13.703 1.00 7.49 ? 184 SER A HG 1 ATOM 1765 N N . SER A 1 184 ? 42.702 8.116 12.509 1.00 4.42 ? 185 SER A N 1 ATOM 1766 C CA . SER A 1 184 ? 43.156 9.508 12.564 1.00 4.78 ? 185 SER A CA 1 ATOM 1767 C C . SER A 1 184 ? 43.819 9.976 13.859 1.00 5.18 ? 185 SER A C 1 ATOM 1768 O O . SER A 1 184 ? 43.331 9.699 14.961 1.00 5.43 ? 185 SER A O 1 ATOM 1769 C CB . SER A 1 184 ? 41.928 10.382 12.239 1.00 3.57 ? 185 SER A CB 1 ATOM 1770 O OG . SER A 1 184 ? 42.262 11.706 11.875 1.00 5.55 ? 185 SER A OG 1 ATOM 1771 H H . SER A 1 184 ? 42.044 7.817 13.167 1.00 4.42 ? 185 SER A H 1 ATOM 1772 H HG . SER A 1 184 ? 42.671 11.625 10.995 1.00 5.55 ? 185 SER A HG 1 ATOM 1773 N N . PHE A 1 185 ? 44.887 10.759 13.713 1.00 4.51 ? 186 PHE A N 1 ATOM 1774 C CA . PHE A 1 185 ? 45.641 11.255 14.859 1.00 4.67 ? 186 PHE A CA 1 ATOM 1775 C C . PHE A 1 185 ? 44.803 11.992 15.898 1.00 3.61 ? 186 PHE A C 1 ATOM 1776 O O . PHE A 1 185 ? 44.807 11.618 17.069 1.00 3.02 ? 186 PHE A O 1 ATOM 1777 C CB . PHE A 1 185 ? 46.801 12.157 14.419 1.00 3.76 ? 186 PHE A CB 1 ATOM 1778 C CG . PHE A 1 185 ? 47.585 12.727 15.575 1.00 4.68 ? 186 PHE A CG 1 ATOM 1779 C CD1 . PHE A 1 185 ? 48.503 11.941 16.267 1.00 5.81 ? 186 PHE A CD1 1 ATOM 1780 C CD2 . PHE A 1 185 ? 47.374 14.038 16.001 1.00 5.88 ? 186 PHE A CD2 1 ATOM 1781 C CE1 . PHE A 1 185 ? 49.203 12.461 17.381 1.00 5.36 ? 186 PHE A CE1 1 ATOM 1782 C CE2 . PHE A 1 185 ? 48.064 14.560 17.108 1.00 5.02 ? 186 PHE A CE2 1 ATOM 1783 C CZ . PHE A 1 185 ? 48.976 13.772 17.796 1.00 5.64 ? 186 PHE A CZ 1 ATOM 1784 H H . PHE A 1 185 ? 45.177 11.007 12.813 1.00 4.51 ? 186 PHE A H 1 ATOM 1785 N N . PHE A 1 186 ? 44.116 13.050 15.473 1.00 3.00 ? 187 PHE A N 1 ATOM 1786 C CA . PHE A 1 186 ? 43.282 13.845 16.373 1.00 3.05 ? 187 PHE A CA 1 ATOM 1787 C C . PHE A 1 186 ? 42.345 12.951 17.185 1.00 3.93 ? 187 PHE A C 1 ATOM 1788 O O . PHE A 1 186 ? 42.233 13.080 18.402 1.00 3.61 ? 187 PHE A O 1 ATOM 1789 C CB . PHE A 1 186 ? 42.470 14.858 15.561 1.00 3.26 ? 187 PHE A CB 1 ATOM 1790 C CG . PHE A 1 186 ? 41.451 15.611 16.368 1.00 4.03 ? 187 PHE A CG 1 ATOM 1791 C CD1 . PHE A 1 186 ? 41.804 16.770 17.051 1.00 4.99 ? 187 PHE A CD1 1 ATOM 1792 C CD2 . PHE A 1 186 ? 40.126 15.168 16.426 1.00 4.96 ? 187 PHE A CD2 1 ATOM 1793 C CE1 . PHE A 1 186 ? 40.854 17.488 17.784 1.00 5.10 ? 187 PHE A CE1 1 ATOM 1794 C CE2 . PHE A 1 186 ? 39.166 15.877 17.154 1.00 4.75 ? 187 PHE A CE2 1 ATOM 1795 C CZ . PHE A 1 186 ? 39.532 17.040 17.833 1.00 4.73 ? 187 PHE A CZ 1 ATOM 1796 H H . PHE A 1 186 ? 44.199 13.337 14.542 1.00 3.00 ? 187 PHE A H 1 ATOM 1797 N N . THR A 1 187 ? 41.683 12.039 16.493 1.00 3.83 ? 188 THR A N 1 ATOM 1798 C CA . THR A 1 187 ? 40.738 11.135 17.120 1.00 3.87 ? 188 THR A CA 1 ATOM 1799 C C . THR A 1 187 ? 41.380 10.252 18.190 1.00 3.78 ? 188 THR A C 1 ATOM 1800 O O . THR A 1 187 ? 40.902 10.190 19.329 1.00 3.92 ? 188 THR A O 1 ATOM 1801 C CB . THR A 1 187 ? 40.052 10.297 16.028 1.00 3.36 ? 188 THR A CB 1 ATOM 1802 O OG1 . THR A 1 187 ? 39.398 11.198 15.122 1.00 5.56 ? 188 THR A OG1 1 ATOM 1803 C CG2 . THR A 1 187 ? 39.041 9.314 16.629 1.00 3.64 ? 188 THR A CG2 1 ATOM 1804 H H . THR A 1 187 ? 41.807 11.969 15.532 1.00 3.83 ? 188 THR A H 1 ATOM 1805 H HG1 . THR A 1 187 ? 38.673 10.717 14.689 1.00 5.56 ? 188 THR A HG1 1 ATOM 1806 N N . ILE A 1 188 ? 42.480 9.598 17.840 1.00 3.44 ? 189 ILE A N 1 ATOM 1807 C CA . ILE A 1 188 ? 43.169 8.723 18.788 1.00 3.46 ? 189 ILE A CA 1 ATOM 1808 C C . ILE A 1 188 ? 43.695 9.540 19.983 1.00 3.32 ? 189 ILE A C 1 ATOM 1809 O O . ILE A 1 188 ? 43.595 9.109 21.144 1.00 4.34 ? 189 ILE A O 1 ATOM 1810 C CB . ILE A 1 188 ? 44.322 7.953 18.088 1.00 3.88 ? 189 ILE A CB 1 ATOM 1811 C CG1 . ILE A 1 188 ? 43.757 7.053 16.981 1.00 5.89 ? 189 ILE A CG1 1 ATOM 1812 C CG2 . ILE A 1 188 ? 45.100 7.104 19.092 1.00 4.48 ? 189 ILE A CG2 1 ATOM 1813 C CD1 . ILE A 1 188 ? 42.767 6.011 17.475 1.00 7.55 ? 189 ILE A CD1 1 ATOM 1814 H H . ILE A 1 188 ? 42.847 9.698 16.933 1.00 3.44 ? 189 ILE A H 1 ATOM 1815 N N . ALA A 1 189 ? 44.218 10.735 19.711 1.00 3.33 ? 190 ALA A N 1 ATOM 1816 C CA . ALA A 1 189 ? 44.740 11.592 20.770 1.00 3.00 ? 190 ALA A CA 1 ATOM 1817 C C . ALA A 1 189 ? 43.661 12.017 21.778 1.00 3.55 ? 190 ALA A C 1 ATOM 1818 O O . ALA A 1 189 ? 43.871 11.919 22.995 1.00 3.14 ? 190 ALA A O 1 ATOM 1819 C CB . ALA A 1 189 ? 45.426 12.828 20.171 1.00 4.13 ? 190 ALA A CB 1 ATOM 1820 H H . ALA A 1 189 ? 44.247 11.035 18.779 1.00 3.33 ? 190 ALA A H 1 ATOM 1821 N N . VAL A 1 190 ? 42.507 12.480 21.288 1.00 3.57 ? 191 VAL A N 1 ATOM 1822 C CA . VAL A 1 190 ? 41.438 12.909 22.198 1.00 3.24 ? 191 VAL A CA 1 ATOM 1823 C C . VAL A 1 190 ? 40.769 11.733 22.906 1.00 3.03 ? 191 VAL A C 1 ATOM 1824 O O . VAL A 1 190 ? 40.263 11.888 24.020 1.00 3.89 ? 191 VAL A O 1 ATOM 1825 C CB . VAL A 1 190 ? 40.389 13.856 21.537 1.00 3.09 ? 191 VAL A CB 1 ATOM 1826 C CG1 . VAL A 1 190 ? 41.072 15.111 21.019 1.00 3.95 ? 191 VAL A CG1 1 ATOM 1827 C CG2 . VAL A 1 190 ? 39.619 13.159 20.446 1.00 3.03 ? 191 VAL A CG2 1 ATOM 1828 H H . VAL A 1 190 ? 42.370 12.532 20.318 1.00 3.57 ? 191 VAL A H 1 ATOM 1829 N N . GLN A 1 191 ? 40.805 10.555 22.287 1.00 3.01 ? 192 GLN A N 1 ATOM 1830 C CA . GLN A 1 191 ? 40.248 9.354 22.914 1.00 3.00 ? 192 GLN A CA 1 ATOM 1831 C C . GLN A 1 191 ? 41.130 8.942 24.092 1.00 4.34 ? 192 GLN A C 1 ATOM 1832 O O . GLN A 1 191 ? 40.624 8.562 25.151 1.00 4.25 ? 192 GLN A O 1 ATOM 1833 C CB . GLN A 1 191 ? 40.128 8.207 21.908 1.00 3.25 ? 192 GLN A CB 1 ATOM 1834 C CG . GLN A 1 191 ? 38.975 8.395 20.930 1.00 3.00 ? 192 GLN A CG 1 ATOM 1835 C CD . GLN A 1 191 ? 38.921 7.285 19.890 1.00 6.67 ? 192 GLN A CD 1 ATOM 1836 O OE1 . GLN A 1 191 ? 39.952 6.706 19.527 1.00 5.20 ? 192 GLN A OE1 1 ATOM 1837 N NE2 . GLN A 1 191 ? 37.718 6.976 19.409 1.00 6.02 ? 192 GLN A NE2 1 ATOM 1838 H H . GLN A 1 191 ? 41.192 10.488 21.388 1.00 3.01 ? 192 GLN A H 1 ATOM 1839 H HE21 . GLN A 1 191 ? 37.687 6.267 18.739 1.00 6.02 ? 192 GLN A HE21 1 ATOM 1840 H HE22 . GLN A 1 191 ? 36.934 7.470 19.737 1.00 6.02 ? 192 GLN A HE22 1 ATOM 1841 N N . HIS A 1 192 ? 42.454 8.988 23.909 1.00 4.29 ? 193 HIS A N 1 ATOM 1842 C CA . HIS A 1 192 ? 43.376 8.656 25.005 1.00 3.76 ? 193 HIS A CA 1 ATOM 1843 C C . HIS A 1 192 ? 43.117 9.599 26.179 1.00 3.97 ? 193 HIS A C 1 ATOM 1844 O O . HIS A 1 192 ? 42.961 9.146 27.315 1.00 4.32 ? 193 HIS A O 1 ATOM 1845 C CB . HIS A 1 192 ? 44.851 8.780 24.565 1.00 4.74 ? 193 HIS A CB 1 ATOM 1846 C CG . HIS A 1 192 ? 45.830 8.634 25.696 1.00 3.96 ? 193 HIS A CG 1 ATOM 1847 N ND1 . HIS A 1 192 ? 46.546 9.697 26.204 1.00 4.36 ? 193 HIS A ND1 1 ATOM 1848 C CD2 . HIS A 1 192 ? 46.164 7.559 26.454 1.00 4.39 ? 193 HIS A CD2 1 ATOM 1849 C CE1 . HIS A 1 192 ? 47.274 9.287 27.231 1.00 4.32 ? 193 HIS A CE1 1 ATOM 1850 N NE2 . HIS A 1 192 ? 47.060 7.996 27.401 1.00 3.65 ? 193 HIS A NE2 1 ATOM 1851 H H . HIS A 1 192 ? 42.804 9.225 23.020 1.00 4.29 ? 193 HIS A H 1 ATOM 1852 H HD1 . HIS A 1 192 ? 46.539 10.621 25.866 1.00 4.36 ? 193 HIS A HD1 1 ATOM 1853 H HE2 . HIS A 1 192 ? 47.496 7.455 28.083 1.00 3.65 ? 193 HIS A HE2 1 ATOM 1854 N N . ARG A 1 193 ? 43.039 10.904 25.904 1.00 3.00 ? 194 ARG A N 1 ATOM 1855 C CA . ARG A 1 193 ? 42.785 11.883 26.959 1.00 3.06 ? 194 ARG A CA 1 ATOM 1856 C C . ARG A 1 193 ? 41.482 11.575 27.707 1.00 4.02 ? 194 ARG A C 1 ATOM 1857 O O . ARG A 1 193 ? 41.457 11.540 28.941 1.00 3.61 ? 194 ARG A O 1 ATOM 1858 C CB . ARG A 1 193 ? 42.719 13.305 26.385 1.00 3.92 ? 194 ARG A CB 1 ATOM 1859 C CG . ARG A 1 193 ? 42.254 14.324 27.419 1.00 3.71 ? 194 ARG A CG 1 ATOM 1860 C CD . ARG A 1 193 ? 42.001 15.747 26.883 1.00 3.01 ? 194 ARG A CD 1 ATOM 1861 N NE . ARG A 1 193 ? 41.326 16.491 27.946 1.00 3.71 ? 194 ARG A NE 1 ATOM 1862 C CZ . ARG A 1 193 ? 41.461 17.783 28.221 1.00 5.52 ? 194 ARG A CZ 1 ATOM 1863 N NH1 . ARG A 1 193 ? 42.249 18.567 27.491 1.00 5.25 ? 194 ARG A NH1 1 ATOM 1864 N NH2 . ARG A 1 193 ? 40.878 18.261 29.316 1.00 5.18 ? 194 ARG A NH2 1 ATOM 1865 H H . ARG A 1 193 ? 43.163 11.210 24.980 1.00 3.00 ? 194 ARG A H 1 ATOM 1866 H HE . ARG A 1 193 ? 40.739 15.974 28.511 1.00 3.71 ? 194 ARG A HE 1 ATOM 1867 H HH11 . ARG A 1 193 ? 42.744 18.212 26.699 1.00 5.25 ? 194 ARG A HH11 1 ATOM 1868 H HH12 . ARG A 1 193 ? 42.358 19.543 27.716 1.00 5.25 ? 194 ARG A HH12 1 ATOM 1869 H HH21 . ARG A 1 193 ? 40.362 17.635 29.905 1.00 5.18 ? 194 ARG A HH21 1 ATOM 1870 H HH22 . ARG A 1 193 ? 40.963 19.230 29.581 1.00 5.18 ? 194 ARG A HH22 1 ATOM 1871 N N . ALA A 1 194 ? 40.405 11.345 26.956 1.00 3.00 ? 195 ALA A N 1 ATOM 1872 C CA . ALA A 1 194 ? 39.099 11.076 27.561 1.00 4.38 ? 195 ALA A CA 1 ATOM 1873 C C . ALA A 1 194 ? 39.103 9.890 28.529 1.00 3.98 ? 195 ALA A C 1 ATOM 1874 O O . ALA A 1 194 ? 38.530 9.978 29.621 1.00 4.50 ? 195 ALA A O 1 ATOM 1875 C CB . ALA A 1 194 ? 38.039 10.876 26.475 1.00 3.02 ? 195 ALA A CB 1 ATOM 1876 H H . ALA A 1 194 ? 40.488 11.364 25.979 1.00 3.00 ? 195 ALA A H 1 ATOM 1877 N N . LEU A 1 195 ? 39.754 8.793 28.152 1.00 3.37 ? 196 LEU A N 1 ATOM 1878 C CA . LEU A 1 195 ? 39.784 7.635 29.041 1.00 3.19 ? 196 LEU A CA 1 ATOM 1879 C C . LEU A 1 195 ? 40.532 7.921 30.340 1.00 4.75 ? 196 LEU A C 1 ATOM 1880 O O . LEU A 1 195 ? 40.133 7.453 31.415 1.00 5.41 ? 196 LEU A O 1 ATOM 1881 C CB . LEU A 1 195 ? 40.375 6.411 28.347 1.00 3.00 ? 196 LEU A CB 1 ATOM 1882 C CG . LEU A 1 195 ? 39.554 5.820 27.193 1.00 3.02 ? 196 LEU A CG 1 ATOM 1883 C CD1 . LEU A 1 195 ? 40.142 4.454 26.830 1.00 4.25 ? 196 LEU A CD1 1 ATOM 1884 C CD2 . LEU A 1 195 ? 38.083 5.647 27.580 1.00 3.49 ? 196 LEU A CD2 1 ATOM 1885 H H . LEU A 1 195 ? 40.202 8.758 27.278 1.00 3.37 ? 196 LEU A H 1 ATOM 1886 N N . VAL A 1 196 ? 41.630 8.661 30.238 1.00 5.12 ? 197 VAL A N 1 ATOM 1887 C CA . VAL A 1 196 ? 42.431 9.014 31.411 1.00 4.53 ? 197 VAL A CA 1 ATOM 1888 C C . VAL A 1 196 ? 41.658 9.909 32.393 1.00 5.73 ? 197 VAL A C 1 ATOM 1889 O O . VAL A 1 196 ? 41.561 9.586 33.588 1.00 5.45 ? 197 VAL A O 1 ATOM 1890 C CB . VAL A 1 196 ? 43.750 9.695 30.996 1.00 3.87 ? 197 VAL A CB 1 ATOM 1891 C CG1 . VAL A 1 196 ? 44.523 10.174 32.234 1.00 6.26 ? 197 VAL A CG1 1 ATOM 1892 C CG2 . VAL A 1 196 ? 44.593 8.719 30.184 1.00 4.62 ? 197 VAL A CG2 1 ATOM 1893 H H . VAL A 1 196 ? 41.900 8.983 29.348 1.00 5.12 ? 197 VAL A H 1 ATOM 1894 N N . GLU A 1 197 ? 41.081 11.013 31.919 1.00 5.81 ? 198 GLU A N 1 ATOM 1895 C CA . GLU A 1 197 ? 40.357 11.867 32.854 1.00 6.96 ? 198 GLU A CA 1 ATOM 1896 C C . GLU A 1 197 ? 39.031 11.223 33.268 1.00 6.61 ? 198 GLU A C 1 ATOM 1897 O O . GLU A 1 197 ? 38.530 11.472 34.366 1.00 7.49 ? 198 GLU A O 1 ATOM 1898 C CB . GLU A 1 197 ? 40.227 13.319 32.353 1.00 11.16 ? 198 GLU A CB 1 ATOM 1899 C CG . GLU A 1 197 ? 39.532 13.487 31.059 1.00 10.84 ? 198 GLU A CG 1 ATOM 1900 C CD . GLU A 1 197 ? 39.588 14.916 30.506 1.00 9.35 ? 198 GLU A CD 1 ATOM 1901 O OE1 . GLU A 1 197 ? 39.824 15.916 31.225 1.00 10.33 ? 198 GLU A OE1 1 ATOM 1902 O OE2 . GLU A 1 197 ? 39.350 15.031 29.304 1.00 9.80 ? 198 GLU A OE2 1 ATOM 1903 H H . GLU A 1 197 ? 41.149 11.260 30.969 1.00 5.81 ? 198 GLU A H 1 ATOM 1904 N N . GLY A 1 198 ? 38.557 10.280 32.451 1.00 6.18 ? 199 GLY A N 1 ATOM 1905 C CA . GLY A 1 198 ? 37.337 9.553 32.760 1.00 6.37 ? 199 GLY A CA 1 ATOM 1906 C C . GLY A 1 198 ? 37.557 8.628 33.948 1.00 6.98 ? 199 GLY A C 1 ATOM 1907 O O . GLY A 1 198 ? 36.692 8.498 34.818 1.00 7.47 ? 199 GLY A O 1 ATOM 1908 H H . GLY A 1 198 ? 39.007 10.102 31.599 1.00 6.18 ? 199 GLY A H 1 ATOM 1909 N N . SER A 1 199 ? 38.715 7.982 33.993 1.00 6.48 ? 200 SER A N 1 ATOM 1910 C CA . SER A 1 199 ? 39.033 7.093 35.104 1.00 8.74 ? 200 SER A CA 1 ATOM 1911 C C . SER A 1 199 ? 39.161 7.885 36.412 1.00 6.96 ? 200 SER A C 1 ATOM 1912 O O . SER A 1 199 ? 38.702 7.444 37.461 1.00 7.78 ? 200 SER A O 1 ATOM 1913 C CB . SER A 1 199 ? 40.322 6.329 34.835 1.00 10.76 ? 200 SER A CB 1 ATOM 1914 O OG . SER A 1 199 ? 40.553 5.421 35.887 1.00 16.80 ? 200 SER A OG 1 ATOM 1915 H H . SER A 1 199 ? 39.347 8.086 33.248 1.00 6.48 ? 200 SER A H 1 ATOM 1916 H HG . SER A 1 199 ? 39.923 4.692 35.778 1.00 16.80 ? 200 SER A HG 1 ATOM 1917 N N . ALA A 1 200 ? 39.773 9.059 36.349 1.00 5.57 ? 201 ALA A N 1 ATOM 1918 C CA . ALA A 1 200 ? 39.923 9.884 37.533 1.00 6.87 ? 201 ALA A CA 1 ATOM 1919 C C . ALA A 1 200 ? 38.557 10.343 38.036 1.00 7.54 ? 201 ALA A C 1 ATOM 1920 O O . ALA A 1 200 ? 38.296 10.353 39.243 1.00 7.20 ? 201 ALA A O 1 ATOM 1921 C CB . ALA A 1 200 ? 40.801 11.098 37.224 1.00 6.98 ? 201 ALA A CB 1 ATOM 1922 H H . ALA A 1 200 ? 40.137 9.378 35.496 1.00 5.57 ? 201 ALA A H 1 ATOM 1923 N N . PHE A 1 201 ? 37.696 10.755 37.113 1.00 6.79 ? 202 PHE A N 1 ATOM 1924 C CA . PHE A 1 201 ? 36.363 11.216 37.482 1.00 7.20 ? 202 PHE A CA 1 ATOM 1925 C C . PHE A 1 201 ? 35.536 10.071 38.081 1.00 7.20 ? 202 PHE A C 1 ATOM 1926 O O . PHE A 1 201 ? 34.843 10.271 39.074 1.00 7.92 ? 202 PHE A O 1 ATOM 1927 C CB . PHE A 1 201 ? 35.657 11.834 36.272 1.00 6.58 ? 202 PHE A CB 1 ATOM 1928 C CG . PHE A 1 201 ? 34.315 12.428 36.589 1.00 7.44 ? 202 PHE A CG 1 ATOM 1929 C CD1 . PHE A 1 201 ? 34.198 13.495 37.474 1.00 9.00 ? 202 PHE A CD1 1 ATOM 1930 C CD2 . PHE A 1 201 ? 33.163 11.917 35.999 1.00 9.33 ? 202 PHE A CD2 1 ATOM 1931 C CE1 . PHE A 1 201 ? 32.950 14.040 37.775 1.00 9.48 ? 202 PHE A CE1 1 ATOM 1932 C CE2 . PHE A 1 201 ? 31.913 12.455 36.291 1.00 9.84 ? 202 PHE A CE2 1 ATOM 1933 C CZ . PHE A 1 201 ? 31.805 13.516 37.178 1.00 10.26 ? 202 PHE A CZ 1 ATOM 1934 H H . PHE A 1 201 ? 37.968 10.773 36.171 1.00 6.79 ? 202 PHE A H 1 ATOM 1935 N N . ALA A 1 202 ? 35.633 8.874 37.500 1.00 6.22 ? 203 ALA A N 1 ATOM 1936 C CA . ALA A 1 202 ? 34.899 7.704 38.004 1.00 6.69 ? 203 ALA A CA 1 ATOM 1937 C C . ALA A 1 202 ? 35.293 7.431 39.460 1.00 8.08 ? 203 ALA A C 1 ATOM 1938 O O . ALA A 1 202 ? 34.436 7.173 40.311 1.00 8.86 ? 203 ALA A O 1 ATOM 1939 C CB . ALA A 1 202 ? 35.185 6.479 37.136 1.00 5.70 ? 203 ALA A CB 1 ATOM 1940 H H . ALA A 1 202 ? 36.191 8.776 36.704 1.00 6.22 ? 203 ALA A H 1 ATOM 1941 N N . THR A 1 203 ? 36.587 7.490 39.750 1.00 7.73 ? 204 THR A N 1 ATOM 1942 C CA . THR A 1 203 ? 37.066 7.276 41.110 1.00 9.58 ? 204 THR A CA 1 ATOM 1943 C C . THR A 1 203 ? 36.538 8.370 42.048 1.00 10.10 ? 204 THR A C 1 ATOM 1944 O O . THR A 1 203 ? 36.064 8.072 43.157 1.00 10.20 ? 204 THR A O 1 ATOM 1945 C CB . THR A 1 203 ? 38.610 7.226 41.140 1.00 10.37 ? 204 THR A CB 1 ATOM 1946 O OG1 . THR A 1 203 ? 39.046 6.099 40.373 1.00 12.46 ? 204 THR A OG1 1 ATOM 1947 C CG2 . THR A 1 203 ? 39.126 7.080 42.566 1.00 12.51 ? 204 THR A CG2 1 ATOM 1948 H H . THR A 1 203 ? 37.250 7.647 39.046 1.00 7.73 ? 204 THR A H 1 ATOM 1949 H HG1 . THR A 1 203 ? 40.010 6.213 40.294 1.00 12.46 ? 204 THR A HG1 1 ATOM 1950 N N . ALA A 1 204 ? 36.560 9.619 41.582 1.00 8.44 ? 205 ALA A N 1 ATOM 1951 C CA . ALA A 1 204 ? 36.081 10.758 42.369 1.00 9.55 ? 205 ALA A CA 1 ATOM 1952 C C . ALA A 1 204 ? 34.611 10.655 42.794 1.00 10.64 ? 205 ALA A C 1 ATOM 1953 O O . ALA A 1 204 ? 34.243 11.137 43.870 1.00 12.40 ? 205 ALA A O 1 ATOM 1954 C CB . ALA A 1 204 ? 36.316 12.064 41.615 1.00 8.70 ? 205 ALA A CB 1 ATOM 1955 H H . ALA A 1 204 ? 36.926 9.796 40.688 1.00 8.44 ? 205 ALA A H 1 ATOM 1956 N N . VAL A 1 205 ? 33.770 10.032 41.969 1.00 9.57 ? 206 VAL A N 1 ATOM 1957 C CA . VAL A 1 205 ? 32.352 9.882 42.313 1.00 9.74 ? 206 VAL A CA 1 ATOM 1958 C C . VAL A 1 205 ? 32.044 8.560 43.036 1.00 10.17 ? 206 VAL A C 1 ATOM 1959 O O . VAL A 1 205 ? 30.877 8.251 43.288 1.00 11.84 ? 206 VAL A O 1 ATOM 1960 C CB . VAL A 1 205 ? 31.415 10.059 41.082 1.00 9.30 ? 206 VAL A CB 1 ATOM 1961 C CG1 . VAL A 1 205 ? 31.678 11.398 40.424 1.00 9.51 ? 206 VAL A CG1 1 ATOM 1962 C CG2 . VAL A 1 205 ? 31.573 8.920 40.097 1.00 9.23 ? 206 VAL A CG2 1 ATOM 1963 H H . VAL A 1 205 ? 34.117 9.698 41.111 1.00 9.57 ? 206 VAL A H 1 ATOM 1964 N N . GLY A 1 206 ? 33.090 7.820 43.404 1.00 8.72 ? 207 GLY A N 1 ATOM 1965 C CA . GLY A 1 206 ? 32.917 6.555 44.108 1.00 9.98 ? 207 GLY A CA 1 ATOM 1966 C C . GLY A 1 206 ? 32.639 5.355 43.222 1.00 10.47 ? 207 GLY A C 1 ATOM 1967 O O . GLY A 1 206 ? 32.139 4.319 43.679 1.00 10.66 ? 207 GLY A O 1 ATOM 1968 H H . GLY A 1 206 ? 34.004 8.126 43.219 1.00 8.72 ? 207 GLY A H 1 ATOM 1969 N N . SER A 1 207 ? 32.961 5.477 41.945 1.00 8.30 ? 208 SER A N 1 ATOM 1970 C CA . SER A 1 207 ? 32.730 4.378 41.030 1.00 8.51 ? 208 SER A CA 1 ATOM 1971 C C . SER A 1 207 ? 34.064 3.936 40.425 1.00 8.43 ? 208 SER A C 1 ATOM 1972 O O . SER A 1 207 ? 35.124 4.119 41.034 1.00 8.60 ? 208 SER A O 1 ATOM 1973 C CB . SER A 1 207 ? 31.717 4.795 39.957 1.00 9.28 ? 208 SER A CB 1 ATOM 1974 O OG . SER A 1 207 ? 31.288 3.682 39.186 1.00 10.38 ? 208 SER A OG 1 ATOM 1975 H H . SER A 1 207 ? 33.394 6.289 41.614 1.00 8.30 ? 208 SER A H 1 ATOM 1976 H HG . SER A 1 207 ? 30.515 3.974 38.680 1.00 10.38 ? 208 SER A HG 1 ATOM 1977 N N . SER A 1 208 ? 34.020 3.332 39.243 1.00 8.00 ? 209 SER A N 1 ATOM 1978 C CA . SER A 1 208 ? 35.235 2.860 38.595 1.00 8.12 ? 209 SER A CA 1 ATOM 1979 C C . SER A 1 208 ? 35.060 2.777 37.086 1.00 7.72 ? 209 SER A C 1 ATOM 1980 O O . SER A 1 208 ? 33.934 2.753 36.572 1.00 7.54 ? 209 SER A O 1 ATOM 1981 C CB . SER A 1 208 ? 35.613 1.469 39.127 1.00 9.74 ? 209 SER A CB 1 ATOM 1982 O OG . SER A 1 208 ? 34.567 0.541 38.882 1.00 12.21 ? 209 SER A OG 1 ATOM 1983 H H . SER A 1 208 ? 33.171 3.178 38.770 1.00 8.00 ? 209 SER A H 1 ATOM 1984 H HG . SER A 1 208 ? 33.902 0.695 39.573 1.00 12.21 ? 209 SER A HG 1 ATOM 1985 N N . CYS A 1 209 ? 36.184 2.751 36.381 1.00 6.44 ? 210 CYS A N 1 ATOM 1986 C CA . CYS A 1 209 ? 36.159 2.629 34.936 1.00 6.27 ? 210 CYS A CA 1 ATOM 1987 C C . CYS A 1 209 ? 37.284 1.683 34.525 1.00 6.10 ? 210 CYS A C 1 ATOM 1988 O O . CYS A 1 209 ? 38.338 2.110 34.051 1.00 5.25 ? 210 CYS A O 1 ATOM 1989 C CB . CYS A 1 209 ? 36.313 3.997 34.267 1.00 6.12 ? 210 CYS A CB 1 ATOM 1990 S SG . CYS A 1 209 ? 36.032 3.842 32.475 1.00 5.74 ? 210 CYS A SG 1 ATOM 1991 H H . CYS A 1 209 ? 37.056 2.853 36.836 1.00 6.44 ? 210 CYS A H 1 ATOM 1992 N N . SER A 1 210 ? 37.070 0.390 34.728 1.00 6.02 ? 211 SER A N 1 ATOM 1993 C CA . SER A 1 210 ? 38.098 -0.588 34.391 1.00 6.68 ? 211 SER A CA 1 ATOM 1994 C C . SER A 1 210 ? 38.486 -0.551 32.917 1.00 6.06 ? 211 SER A C 1 ATOM 1995 O O . SER A 1 210 ? 39.657 -0.737 32.581 1.00 6.87 ? 211 SER A O 1 ATOM 1996 C CB . SER A 1 210 ? 37.650 -1.994 34.773 1.00 8.06 ? 211 SER A CB 1 ATOM 1997 O OG . SER A 1 210 ? 36.533 -2.386 33.994 1.00 9.26 ? 211 SER A OG 1 ATOM 1998 H H . SER A 1 210 ? 36.229 0.085 35.136 1.00 6.02 ? 211 SER A H 1 ATOM 1999 H HG . SER A 1 210 ? 35.741 -2.205 34.530 1.00 9.26 ? 211 SER A HG 1 ATOM 2000 N N . TRP A 1 211 ? 37.507 -0.319 32.040 1.00 5.53 ? 212 TRP A N 1 ATOM 2001 C CA . TRP A 1 211 ? 37.776 -0.255 30.603 1.00 5.68 ? 212 TRP A CA 1 ATOM 2002 C C . TRP A 1 211 ? 38.625 0.973 30.246 1.00 5.98 ? 212 TRP A C 1 ATOM 2003 O O . TRP A 1 211 ? 39.386 0.935 29.294 1.00 6.99 ? 212 TRP A O 1 ATOM 2004 C CB . TRP A 1 211 ? 36.474 -0.324 29.786 1.00 6.66 ? 212 TRP A CB 1 ATOM 2005 C CG . TRP A 1 211 ? 35.410 0.699 30.151 1.00 5.93 ? 212 TRP A CG 1 ATOM 2006 C CD1 . TRP A 1 211 ? 35.178 1.898 29.531 1.00 5.57 ? 212 TRP A CD1 1 ATOM 2007 C CD2 . TRP A 1 211 ? 34.426 0.591 31.196 1.00 6.09 ? 212 TRP A CD2 1 ATOM 2008 N NE1 . TRP A 1 211 ? 34.116 2.545 30.130 1.00 7.70 ? 212 TRP A NE1 1 ATOM 2009 C CE2 . TRP A 1 211 ? 33.638 1.767 31.154 1.00 6.86 ? 212 TRP A CE2 1 ATOM 2010 C CE3 . TRP A 1 211 ? 34.134 -0.383 32.163 1.00 7.17 ? 212 TRP A CE3 1 ATOM 2011 C CZ2 . TRP A 1 211 ? 32.577 1.993 32.045 1.00 7.98 ? 212 TRP A CZ2 1 ATOM 2012 C CZ3 . TRP A 1 211 ? 33.080 -0.158 33.048 1.00 8.24 ? 212 TRP A CZ3 1 ATOM 2013 C CH2 . TRP A 1 211 ? 32.317 1.022 32.981 1.00 8.27 ? 212 TRP A CH2 1 ATOM 2014 H H . TRP A 1 211 ? 36.597 -0.233 32.372 1.00 5.53 ? 212 TRP A H 1 ATOM 2015 H HE1 . TRP A 1 211 ? 33.764 3.419 29.865 1.00 7.70 ? 212 TRP A HE1 1 ATOM 2016 N N . CYS A 1 212 ? 38.502 2.050 31.017 1.00 4.82 ? 213 CYS A N 1 ATOM 2017 C CA . CYS A 1 212 ? 39.320 3.245 30.801 1.00 5.92 ? 213 CYS A CA 1 ATOM 2018 C C . CYS A 1 212 ? 40.762 2.850 31.095 1.00 7.42 ? 213 CYS A C 1 ATOM 2019 O O . CYS A 1 212 ? 41.685 3.150 30.335 1.00 6.77 ? 213 CYS A O 1 ATOM 2020 C CB . CYS A 1 212 ? 38.973 4.334 31.809 1.00 4.94 ? 213 CYS A CB 1 ATOM 2021 S SG . CYS A 1 212 ? 37.354 5.131 31.631 1.00 6.97 ? 213 CYS A SG 1 ATOM 2022 H H . CYS A 1 212 ? 37.842 2.063 31.741 1.00 4.82 ? 213 CYS A H 1 ATOM 2023 N N . ASP A 1 213 ? 40.932 2.168 32.222 1.00 7.50 ? 214 ASP A N 1 ATOM 2024 C CA . ASP A 1 213 ? 42.247 1.751 32.693 1.00 7.76 ? 214 ASP A CA 1 ATOM 2025 C C . ASP A 1 213 ? 42.978 0.778 31.803 1.00 7.26 ? 214 ASP A C 1 ATOM 2026 O O . ASP A 1 213 ? 44.185 0.924 31.599 1.00 8.22 ? 214 ASP A O 1 ATOM 2027 C CB . ASP A 1 213 ? 42.156 1.171 34.112 1.00 9.22 ? 214 ASP A CB 1 ATOM 2028 C CG . ASP A 1 213 ? 41.726 2.197 35.144 1.00 12.36 ? 214 ASP A CG 1 ATOM 2029 O OD1 . ASP A 1 213 ? 41.858 3.414 34.901 1.00 12.94 ? 214 ASP A OD1 1 ATOM 2030 O OD2 . ASP A 1 213 ? 41.255 1.779 36.220 1.00 15.65 ? 214 ASP A OD2 1 ATOM 2031 H H . ASP A 1 213 ? 40.152 1.945 32.773 1.00 7.50 ? 214 ASP A H 1 ATOM 2032 N N . SER A 1 214 ? 42.284 -0.237 31.306 1.00 5.89 ? 215 SER A N 1 ATOM 2033 C CA . SER A 1 214 ? 42.942 -1.215 30.458 1.00 7.09 ? 215 SER A CA 1 ATOM 2034 C C . SER A 1 214 ? 43.229 -0.685 29.062 1.00 6.96 ? 215 SER A C 1 ATOM 2035 O O . SER A 1 214 ? 44.269 -0.996 28.481 1.00 7.82 ? 215 SER A O 1 ATOM 2036 C CB . SER A 1 214 ? 42.115 -2.504 30.354 1.00 7.06 ? 215 SER A CB 1 ATOM 2037 O OG . SER A 1 214 ? 40.895 -2.282 29.662 1.00 6.83 ? 215 SER A OG 1 ATOM 2038 H H . SER A 1 214 ? 41.332 -0.350 31.503 1.00 5.89 ? 215 SER A H 1 ATOM 2039 H HG . SER A 1 214 ? 40.297 -2.988 29.900 1.00 6.83 ? 215 SER A HG 1 ATOM 2040 N N . GLN A 1 215 ? 42.331 0.146 28.535 1.00 5.66 ? 216 GLN A N 1 ATOM 2041 C CA . GLN A 1 215 ? 42.501 0.649 27.183 1.00 4.41 ? 216 GLN A CA 1 ATOM 2042 C C . GLN A 1 215 ? 43.379 1.884 26.987 1.00 4.32 ? 216 GLN A C 1 ATOM 2043 O O . GLN A 1 215 ? 44.073 1.979 25.975 1.00 5.68 ? 216 GLN A O 1 ATOM 2044 C CB . GLN A 1 215 ? 41.134 0.851 26.507 1.00 4.78 ? 216 GLN A CB 1 ATOM 2045 C CG . GLN A 1 215 ? 40.302 -0.423 26.427 1.00 4.77 ? 216 GLN A CG 1 ATOM 2046 C CD . GLN A 1 215 ? 41.076 -1.585 25.827 1.00 6.82 ? 216 GLN A CD 1 ATOM 2047 O OE1 . GLN A 1 215 ? 41.352 -1.610 24.632 1.00 7.71 ? 216 GLN A OE1 1 ATOM 2048 N NE2 . GLN A 1 215 ? 41.432 -2.558 26.660 1.00 7.69 ? 216 GLN A NE2 1 ATOM 2049 H H . GLN A 1 215 ? 41.533 0.392 29.050 1.00 5.66 ? 216 GLN A H 1 ATOM 2050 H HE21 . GLN A 1 215 ? 41.960 -3.301 26.323 1.00 7.69 ? 216 GLN A HE21 1 ATOM 2051 H HE22 . GLN A 1 215 ? 41.156 -2.469 27.599 1.00 7.69 ? 216 GLN A HE22 1 ATOM 2052 N N . ALA A 1 216 ? 43.408 2.798 27.951 1.00 4.29 ? 217 ALA A N 1 ATOM 2053 C CA . ALA A 1 216 ? 44.213 4.023 27.788 1.00 5.21 ? 217 ALA A CA 1 ATOM 2054 C C . ALA A 1 216 ? 45.678 3.801 27.370 1.00 5.10 ? 217 ALA A C 1 ATOM 2055 O O . ALA A 1 216 ? 46.138 4.429 26.407 1.00 5.33 ? 217 ALA A O 1 ATOM 2056 C CB . ALA A 1 216 ? 44.122 4.927 29.042 1.00 5.07 ? 217 ALA A CB 1 ATOM 2057 H H . ALA A 1 216 ? 42.888 2.667 28.773 1.00 4.29 ? 217 ALA A H 1 ATOM 2058 N N . PRO A 1 217 ? 46.416 2.880 28.050 1.00 6.62 ? 218 PRO A N 1 ATOM 2059 C CA . PRO A 1 217 ? 47.822 2.640 27.680 1.00 6.59 ? 218 PRO A CA 1 ATOM 2060 C C . PRO A 1 217 ? 47.958 2.061 26.274 1.00 6.80 ? 218 PRO A C 1 ATOM 2061 O O . PRO A 1 217 ? 48.925 2.365 25.582 1.00 7.20 ? 218 PRO A O 1 ATOM 2062 C CB . PRO A 1 217 ? 48.303 1.649 28.745 1.00 7.75 ? 218 PRO A CB 1 ATOM 2063 C CG . PRO A 1 217 ? 47.411 1.926 29.921 1.00 9.13 ? 218 PRO A CG 1 ATOM 2064 C CD . PRO A 1 217 ? 46.065 2.094 29.250 1.00 7.05 ? 218 PRO A CD 1 ATOM 2065 N N . GLN A 1 218 ? 46.985 1.253 25.841 1.00 5.38 ? 219 GLN A N 1 ATOM 2066 C CA . GLN A 1 218 ? 47.013 0.667 24.497 1.00 6.30 ? 219 GLN A CA 1 ATOM 2067 C C . GLN A 1 218 ? 46.741 1.703 23.413 1.00 6.05 ? 219 GLN A C 1 ATOM 2068 O O . GLN A 1 218 ? 47.281 1.616 22.305 1.00 6.18 ? 219 GLN A O 1 ATOM 2069 C CB . GLN A 1 218 ? 46.040 -0.507 24.388 1.00 8.79 ? 219 GLN A CB 1 ATOM 2070 C CG . GLN A 1 218 ? 46.500 -1.723 25.177 1.00 13.46 ? 219 GLN A CG 1 ATOM 2071 C CD . GLN A 1 218 ? 47.903 -2.164 24.781 1.00 15.12 ? 219 GLN A CD 1 ATOM 2072 O OE1 . GLN A 1 218 ? 48.293 -2.072 23.616 1.00 16.10 ? 219 GLN A OE1 1 ATOM 2073 N NE2 . GLN A 1 218 ? 48.675 -2.625 25.753 1.00 20.13 ? 219 GLN A NE2 1 ATOM 2074 H H . GLN A 1 218 ? 46.226 1.056 26.429 1.00 5.38 ? 219 GLN A H 1 ATOM 2075 H HE21 . GLN A 1 218 ? 49.597 -2.866 25.543 1.00 20.13 ? 219 GLN A HE21 1 ATOM 2076 H HE22 . GLN A 1 218 ? 48.316 -2.691 26.670 1.00 20.13 ? 219 GLN A HE22 1 ATOM 2077 N N . ILE A 1 219 ? 45.878 2.669 23.715 1.00 5.49 ? 220 ILE A N 1 ATOM 2078 C CA . ILE A 1 219 ? 45.612 3.744 22.764 1.00 4.70 ? 220 ILE A CA 1 ATOM 2079 C C . ILE A 1 219 ? 46.902 4.577 22.650 1.00 5.12 ? 220 ILE A C 1 ATOM 2080 O O . ILE A 1 219 ? 47.327 4.934 21.546 1.00 5.32 ? 220 ILE A O 1 ATOM 2081 C CB . ILE A 1 219 ? 44.431 4.650 23.214 1.00 5.50 ? 220 ILE A CB 1 ATOM 2082 C CG1 . ILE A 1 219 ? 43.131 3.837 23.242 1.00 7.05 ? 220 ILE A CG1 1 ATOM 2083 C CG2 . ILE A 1 219 ? 44.276 5.823 22.257 1.00 5.28 ? 220 ILE A CG2 1 ATOM 2084 C CD1 . ILE A 1 219 ? 41.905 4.637 23.675 1.00 7.53 ? 220 ILE A CD1 1 ATOM 2085 H H . ILE A 1 219 ? 45.399 2.651 24.574 1.00 5.49 ? 220 ILE A H 1 ATOM 2086 N N . LEU A 1 220 ? 47.543 4.855 23.784 1.00 4.38 ? 221 LEU A N 1 ATOM 2087 C CA . LEU A 1 220 ? 48.798 5.620 23.769 1.00 4.36 ? 221 LEU A CA 1 ATOM 2088 C C . LEU A 1 220 ? 49.880 4.869 22.976 1.00 4.77 ? 221 LEU A C 1 ATOM 2089 O O . LEU A 1 220 ? 50.631 5.472 22.206 1.00 4.76 ? 221 LEU A O 1 ATOM 2090 C CB . LEU A 1 220 ? 49.292 5.880 25.196 1.00 4.83 ? 221 LEU A CB 1 ATOM 2091 C CG . LEU A 1 220 ? 50.558 6.748 25.290 1.00 6.13 ? 221 LEU A CG 1 ATOM 2092 C CD1 . LEU A 1 220 ? 50.289 8.127 24.705 1.00 7.78 ? 221 LEU A CD1 1 ATOM 2093 C CD2 . LEU A 1 220 ? 51.013 6.857 26.743 1.00 8.79 ? 221 LEU A CD2 1 ATOM 2094 H H . LEU A 1 220 ? 47.158 4.553 24.638 1.00 4.38 ? 221 LEU A H 1 ATOM 2095 N N . CYS A 1 221 ? 49.928 3.546 23.133 1.00 5.39 ? 222 CYS A N 1 ATOM 2096 C CA . CYS A 1 221 ? 50.906 2.716 22.432 1.00 5.79 ? 222 CYS A CA 1 ATOM 2097 C C . CYS A 1 221 ? 50.726 2.893 20.915 1.00 7.33 ? 222 CYS A C 1 ATOM 2098 O O . CYS A 1 221 ? 51.686 3.165 20.183 1.00 5.95 ? 222 CYS A O 1 ATOM 2099 C CB . CYS A 1 221 ? 50.715 1.248 22.829 1.00 6.89 ? 222 CYS A CB 1 ATOM 2100 S SG . CYS A 1 221 ? 52.181 0.194 22.597 1.00 11.37 ? 222 CYS A SG 1 ATOM 2101 H H . CYS A 1 221 ? 49.303 3.120 23.752 1.00 5.39 ? 222 CYS A H 1 ATOM 2102 N N . TYR A 1 222 ? 49.478 2.810 20.460 1.00 6.18 ? 223 TYR A N 1 ATOM 2103 C CA . TYR A 1 222 ? 49.159 2.977 19.046 1.00 5.18 ? 223 TYR A CA 1 ATOM 2104 C C . TYR A 1 222 ? 49.441 4.409 18.560 1.00 5.39 ? 223 TYR A C 1 ATOM 2105 O O . TYR A 1 222 ? 49.907 4.611 17.439 1.00 5.95 ? 223 TYR A O 1 ATOM 2106 C CB . TYR A 1 222 ? 47.681 2.611 18.814 1.00 5.14 ? 223 TYR A CB 1 ATOM 2107 C CG . TYR A 1 222 ? 47.186 2.864 17.416 1.00 5.00 ? 223 TYR A CG 1 ATOM 2108 C CD1 . TYR A 1 222 ? 47.929 2.452 16.303 1.00 5.14 ? 223 TYR A CD1 1 ATOM 2109 C CD2 . TYR A 1 222 ? 45.962 3.510 17.197 1.00 5.70 ? 223 TYR A CD2 1 ATOM 2110 C CE1 . TYR A 1 222 ? 47.475 2.672 15.010 1.00 5.94 ? 223 TYR A CE1 1 ATOM 2111 C CE2 . TYR A 1 222 ? 45.498 3.738 15.913 1.00 6.69 ? 223 TYR A CE2 1 ATOM 2112 C CZ . TYR A 1 222 ? 46.258 3.313 14.819 1.00 7.85 ? 223 TYR A CZ 1 ATOM 2113 O OH . TYR A 1 222 ? 45.793 3.514 13.542 1.00 8.12 ? 223 TYR A OH 1 ATOM 2114 H H . TYR A 1 222 ? 48.744 2.621 21.082 1.00 6.18 ? 223 TYR A H 1 ATOM 2115 H HH . TYR A 1 222 ? 46.344 3.059 12.886 1.00 8.12 ? 223 TYR A HH 1 ATOM 2116 N N . LEU A 1 223 ? 49.183 5.398 19.408 1.00 5.08 ? 224 LEU A N 1 ATOM 2117 C CA . LEU A 1 223 ? 49.395 6.797 19.040 1.00 5.70 ? 224 LEU A CA 1 ATOM 2118 C C . LEU A 1 223 ? 50.836 7.070 18.574 1.00 6.11 ? 224 LEU A C 1 ATOM 2119 O O . LEU A 1 223 ? 51.072 7.934 17.725 1.00 6.38 ? 224 LEU A O 1 ATOM 2120 C CB . LEU A 1 223 ? 49.029 7.718 20.213 1.00 6.06 ? 224 LEU A CB 1 ATOM 2121 C CG . LEU A 1 223 ? 48.990 9.224 19.929 1.00 8.48 ? 224 LEU A CG 1 ATOM 2122 C CD1 . LEU A 1 223 ? 47.832 9.558 18.997 1.00 7.97 ? 224 LEU A CD1 1 ATOM 2123 C CD2 . LEU A 1 223 ? 48.838 9.994 21.235 1.00 8.96 ? 224 LEU A CD2 1 ATOM 2124 H H . LEU A 1 223 ? 48.821 5.190 20.294 1.00 5.08 ? 224 LEU A H 1 ATOM 2125 N N . GLN A 1 224 ? 51.787 6.287 19.081 1.00 5.35 ? 225 GLN A N 1 ATOM 2126 C CA . GLN A 1 224 ? 53.198 6.456 18.712 1.00 5.44 ? 225 GLN A CA 1 ATOM 2127 C C . GLN A 1 224 ? 53.476 6.183 17.224 1.00 6.72 ? 225 GLN A C 1 ATOM 2128 O O . GLN A 1 224 ? 54.410 6.758 16.652 1.00 7.62 ? 225 GLN A O 1 ATOM 2129 C CB . GLN A 1 224 ? 54.084 5.548 19.574 1.00 5.80 ? 225 GLN A CB 1 ATOM 2130 C CG . GLN A 1 224 ? 53.885 5.694 21.093 1.00 6.00 ? 225 GLN A CG 1 ATOM 2131 C CD . GLN A 1 224 ? 53.867 7.153 21.543 1.00 7.15 ? 225 GLN A CD 1 ATOM 2132 O OE1 . GLN A 1 224 ? 54.844 7.893 21.367 1.00 7.13 ? 225 GLN A OE1 1 ATOM 2133 N NE2 . GLN A 1 224 ? 52.756 7.573 22.112 1.00 5.43 ? 225 GLN A NE2 1 ATOM 2134 H H . GLN A 1 224 ? 51.529 5.590 19.726 1.00 5.35 ? 225 GLN A H 1 ATOM 2135 H HE21 . GLN A 1 224 ? 52.701 8.506 22.397 1.00 5.43 ? 225 GLN A HE21 1 ATOM 2136 H HE22 . GLN A 1 224 ? 52.012 6.941 22.224 1.00 5.43 ? 225 GLN A HE22 1 ATOM 2137 N N A SER A 1 225 ? 52.658 5.330 16.609 0.71 6.54 ? 226 SER A N 1 ATOM 2138 N N B SER A 1 225 ? 52.671 5.326 16.600 0.29 6.57 ? 226 SER A N 1 ATOM 2139 C CA A SER A 1 225 ? 52.797 4.978 15.194 0.71 7.48 ? 226 SER A CA 1 ATOM 2140 C CA B SER A 1 225 ? 52.872 4.994 15.192 0.29 6.89 ? 226 SER A CA 1 ATOM 2141 C C A SER A 1 225 ? 52.568 6.141 14.234 0.71 7.40 ? 226 SER A C 1 ATOM 2142 C C B SER A 1 225 ? 52.590 6.151 14.230 0.29 6.90 ? 226 SER A C 1 ATOM 2143 O O A SER A 1 225 ? 52.906 6.054 13.061 0.71 8.00 ? 226 SER A O 1 ATOM 2144 O O B SER A 1 225 ? 52.906 6.063 13.049 0.29 6.97 ? 226 SER A O 1 ATOM 2145 C CB A SER A 1 225 ? 51.812 3.863 14.822 0.71 8.61 ? 226 SER A CB 1 ATOM 2146 C CB B SER A 1 225 ? 52.052 3.758 14.794 0.29 7.43 ? 226 SER A CB 1 ATOM 2147 O OG A SER A 1 225 ? 52.197 2.623 15.369 0.71 8.08 ? 226 SER A OG 1 ATOM 2148 O OG B SER A 1 225 ? 50.666 4.041 14.733 0.29 7.21 ? 226 SER A OG 1 ATOM 2149 H H A SER A 1 225 ? 51.927 4.912 17.116 0.71 6.54 ? 226 SER A H 1 ATOM 2150 H H B SER A 1 225 ? 51.920 4.894 17.071 0.29 6.57 ? 226 SER A H 1 ATOM 2151 H HG A SER A 1 225 ? 52.427 2.708 16.298 0.71 8.08 ? 226 SER A HG 1 ATOM 2152 H HG B SER A 1 225 ? 50.486 4.740 14.100 0.29 7.21 ? 226 SER A HG 1 ATOM 2153 N N . PHE A 1 226 ? 51.957 7.215 14.717 1.00 6.54 ? 227 PHE A N 1 ATOM 2154 C CA . PHE A 1 226 ? 51.671 8.358 13.863 1.00 7.49 ? 227 PHE A CA 1 ATOM 2155 C C . PHE A 1 226 ? 52.890 9.241 13.606 1.00 8.97 ? 227 PHE A C 1 ATOM 2156 O O . PHE A 1 226 ? 52.860 10.087 12.716 1.00 9.29 ? 227 PHE A O 1 ATOM 2157 C CB . PHE A 1 226 ? 50.502 9.182 14.413 1.00 7.85 ? 227 PHE A CB 1 ATOM 2158 C CG . PHE A 1 226 ? 49.166 8.480 14.324 1.00 7.37 ? 227 PHE A CG 1 ATOM 2159 C CD1 . PHE A 1 226 ? 48.749 7.614 15.333 1.00 7.69 ? 227 PHE A CD1 1 ATOM 2160 C CD2 . PHE A 1 226 ? 48.325 8.697 13.236 1.00 7.42 ? 227 PHE A CD2 1 ATOM 2161 C CE1 . PHE A 1 226 ? 47.503 6.966 15.264 1.00 9.36 ? 227 PHE A CE1 1 ATOM 2162 C CE2 . PHE A 1 226 ? 47.080 8.061 13.154 1.00 7.33 ? 227 PHE A CE2 1 ATOM 2163 C CZ . PHE A 1 226 ? 46.667 7.198 14.168 1.00 7.55 ? 227 PHE A CZ 1 ATOM 2164 H H . PHE A 1 226 ? 51.689 7.232 15.656 1.00 6.54 ? 227 PHE A H 1 ATOM 2165 N N . TRP A 1 227 ? 53.951 9.071 14.393 1.00 9.14 ? 228 TRP A N 1 ATOM 2166 C CA . TRP A 1 227 ? 55.171 9.863 14.195 1.00 8.70 ? 228 TRP A CA 1 ATOM 2167 C C . TRP A 1 227 ? 55.969 9.230 13.043 1.00 10.29 ? 228 TRP A C 1 ATOM 2168 O O . TRP A 1 227 ? 56.345 8.053 13.117 1.00 9.55 ? 228 TRP A O 1 ATOM 2169 C CB . TRP A 1 227 ? 56.012 9.880 15.475 1.00 8.16 ? 228 TRP A CB 1 ATOM 2170 C CG . TRP A 1 227 ? 57.343 10.568 15.301 1.00 9.85 ? 228 TRP A CG 1 ATOM 2171 C CD1 . TRP A 1 227 ? 58.587 9.999 15.419 1.00 10.90 ? 228 TRP A CD1 1 ATOM 2172 C CD2 . TRP A 1 227 ? 57.564 11.950 14.985 1.00 9.40 ? 228 TRP A CD2 1 ATOM 2173 N NE1 . TRP A 1 227 ? 59.562 10.946 15.195 1.00 11.55 ? 228 TRP A NE1 1 ATOM 2174 C CE2 . TRP A 1 227 ? 58.964 12.150 14.927 1.00 10.91 ? 228 TRP A CE2 1 ATOM 2175 C CE3 . TRP A 1 227 ? 56.714 13.041 14.751 1.00 9.03 ? 228 TRP A CE3 1 ATOM 2176 C CZ2 . TRP A 1 227 ? 59.535 13.398 14.646 1.00 9.94 ? 228 TRP A CZ2 1 ATOM 2177 C CZ3 . TRP A 1 227 ? 57.283 14.284 14.473 1.00 9.60 ? 228 TRP A CZ3 1 ATOM 2178 C CH2 . TRP A 1 227 ? 58.682 14.449 14.422 1.00 11.04 ? 228 TRP A CH2 1 ATOM 2179 H H . TRP A 1 227 ? 53.936 8.406 15.104 1.00 9.14 ? 228 TRP A H 1 ATOM 2180 H HE1 . TRP A 1 227 ? 60.538 10.784 15.257 1.00 11.55 ? 228 TRP A HE1 1 ATOM 2181 N N . THR A 1 228 ? 56.223 10.002 11.987 1.00 9.85 ? 229 THR A N 1 ATOM 2182 C CA . THR A 1 228 ? 56.942 9.481 10.823 1.00 11.98 ? 229 THR A CA 1 ATOM 2183 C C . THR A 1 228 ? 58.452 9.623 10.934 1.00 14.12 ? 229 THR A C 1 ATOM 2184 O O . THR A 1 228 ? 59.187 9.016 10.160 1.00 16.44 ? 229 THR A O 1 ATOM 2185 C CB . THR A 1 228 ? 56.548 10.227 9.524 1.00 11.04 ? 229 THR A CB 1 ATOM 2186 O OG1 . THR A 1 228 ? 57.110 11.550 9.545 1.00 11.97 ? 229 THR A OG1 1 ATOM 2187 C CG2 . THR A 1 228 ? 55.033 10.327 9.385 1.00 11.54 ? 229 THR A CG2 1 ATOM 2188 H H . THR A 1 228 ? 55.895 10.932 11.963 1.00 9.85 ? 229 THR A H 1 ATOM 2189 H HG1 . THR A 1 228 ? 57.041 11.839 8.618 1.00 11.97 ? 229 THR A HG1 1 ATOM 2190 N N . GLY A 1 229 ? 58.905 10.470 11.851 1.00 13.86 ? 230 GLY A N 1 ATOM 2191 C CA . GLY A 1 229 ? 60.323 10.730 11.982 1.00 13.77 ? 230 GLY A CA 1 ATOM 2192 C C . GLY A 1 229 ? 60.562 12.193 11.626 1.00 14.57 ? 230 GLY A C 1 ATOM 2193 O O . GLY A 1 229 ? 61.608 12.755 11.982 1.00 15.14 ? 230 GLY A O 1 ATOM 2194 H H . GLY A 1 229 ? 58.268 10.936 12.433 1.00 13.86 ? 230 GLY A H 1 ATOM 2195 N N . SER A 1 230 ? 59.624 12.808 10.900 1.00 12.36 ? 231 SER A N 1 ATOM 2196 C CA . SER A 1 230 ? 59.743 14.224 10.540 1.00 12.25 ? 231 SER A CA 1 ATOM 2197 C C . SER A 1 230 ? 58.496 15.047 10.857 1.00 10.58 ? 231 SER A C 1 ATOM 2198 O O . SER A 1 230 ? 58.584 16.253 11.065 1.00 10.60 ? 231 SER A O 1 ATOM 2199 C CB . SER A 1 230 ? 60.164 14.416 9.079 1.00 14.20 ? 231 SER A CB 1 ATOM 2200 O OG . SER A 1 230 ? 59.458 13.554 8.214 1.00 21.14 ? 231 SER A OG 1 ATOM 2201 H H . SER A 1 230 ? 58.844 12.314 10.560 1.00 12.36 ? 231 SER A H 1 ATOM 2202 H HG . SER A 1 230 ? 59.882 12.690 8.351 1.00 21.14 ? 231 SER A HG 1 ATOM 2203 N N . TYR A 1 231 ? 57.336 14.402 10.870 1.00 9.79 ? 232 TYR A N 1 ATOM 2204 C CA . TYR A 1 231 ? 56.089 15.089 11.213 1.00 8.67 ? 232 TYR A CA 1 ATOM 2205 C C . TYR A 1 231 ? 55.070 14.053 11.678 1.00 8.27 ? 232 TYR A C 1 ATOM 2206 O O . TYR A 1 231 ? 55.368 12.855 11.703 1.00 7.18 ? 232 TYR A O 1 ATOM 2207 C CB . TYR A 1 231 ? 55.540 15.933 10.042 1.00 9.56 ? 232 TYR A CB 1 ATOM 2208 C CG . TYR A 1 231 ? 55.194 15.151 8.800 1.00 13.38 ? 232 TYR A CG 1 ATOM 2209 C CD1 . TYR A 1 231 ? 56.171 14.852 7.848 1.00 14.60 ? 232 TYR A CD1 1 ATOM 2210 C CD2 . TYR A 1 231 ? 53.892 14.691 8.579 1.00 13.81 ? 232 TYR A CD2 1 ATOM 2211 C CE1 . TYR A 1 231 ? 55.861 14.114 6.712 1.00 16.38 ? 232 TYR A CE1 1 ATOM 2212 C CE2 . TYR A 1 231 ? 53.570 13.951 7.449 1.00 15.70 ? 232 TYR A CE2 1 ATOM 2213 C CZ . TYR A 1 231 ? 54.562 13.665 6.517 1.00 17.39 ? 232 TYR A CZ 1 ATOM 2214 O OH . TYR A 1 231 ? 54.261 12.919 5.399 1.00 19.82 ? 232 TYR A OH 1 ATOM 2215 H H . TYR A 1 231 ? 57.270 13.447 10.643 1.00 9.79 ? 232 TYR A H 1 ATOM 2216 H HH . TYR A 1 231 ? 53.323 12.702 5.436 1.00 19.82 ? 232 TYR A HH 1 ATOM 2217 N N . ILE A 1 232 ? 53.900 14.520 12.100 1.00 7.61 ? 233 ILE A N 1 ATOM 2218 C CA . ILE A 1 232 ? 52.848 13.627 12.570 1.00 5.92 ? 233 ILE A CA 1 ATOM 2219 C C . ILE A 1 232 ? 51.890 13.310 11.425 1.00 6.07 ? 233 ILE A C 1 ATOM 2220 O O . ILE A 1 232 ? 51.305 14.211 10.836 1.00 7.45 ? 233 ILE A O 1 ATOM 2221 C CB . ILE A 1 232 ? 52.064 14.254 13.747 1.00 5.63 ? 233 ILE A CB 1 ATOM 2222 C CG1 . ILE A 1 232 ? 53.034 14.645 14.876 1.00 7.38 ? 233 ILE A CG1 1 ATOM 2223 C CG2 . ILE A 1 232 ? 51.021 13.248 14.277 1.00 5.40 ? 233 ILE A CG2 1 ATOM 2224 C CD1 . ILE A 1 232 ? 52.432 15.540 15.960 1.00 6.33 ? 233 ILE A CD1 1 ATOM 2225 H H . ILE A 1 232 ? 53.718 15.483 12.069 1.00 7.61 ? 233 ILE A H 1 ATOM 2226 N N . LEU A 1 233 ? 51.777 12.033 11.085 1.00 6.20 ? 234 LEU A N 1 ATOM 2227 C CA . LEU A 1 233 ? 50.891 11.585 10.019 1.00 7.77 ? 234 LEU A CA 1 ATOM 2228 C C . LEU A 1 233 ? 49.454 11.830 10.497 1.00 7.40 ? 234 LEU A C 1 ATOM 2229 O O . LEU A 1 233 ? 49.077 11.370 11.573 1.00 8.68 ? 234 LEU A O 1 ATOM 2230 C CB . LEU A 1 233 ? 51.100 10.088 9.786 1.00 9.52 ? 234 LEU A CB 1 ATOM 2231 C CG . LEU A 1 233 ? 50.408 9.453 8.584 1.00 12.58 ? 234 LEU A CG 1 ATOM 2232 C CD1 . LEU A 1 233 ? 51.065 9.960 7.317 1.00 13.82 ? 234 LEU A CD1 1 ATOM 2233 C CD2 . LEU A 1 233 ? 50.528 7.931 8.663 1.00 13.60 ? 234 LEU A CD2 1 ATOM 2234 H H . LEU A 1 233 ? 52.293 11.376 11.579 1.00 6.20 ? 234 LEU A H 1 ATOM 2235 N N . ALA A 1 234 ? 48.655 12.537 9.705 1.00 6.02 ? 235 ALA A N 1 ATOM 2236 C CA . ALA A 1 234 ? 47.281 12.814 10.110 1.00 6.45 ? 235 ALA A CA 1 ATOM 2237 C C . ALA A 1 234 ? 46.369 11.587 10.082 1.00 6.78 ? 235 ALA A C 1 ATOM 2238 O O . ALA A 1 234 ? 45.548 11.408 10.992 1.00 6.80 ? 235 ALA A O 1 ATOM 2239 C CB . ALA A 1 234 ? 46.690 13.921 9.259 1.00 6.21 ? 235 ALA A CB 1 ATOM 2240 H H . ALA A 1 234 ? 49.010 12.913 8.873 1.00 6.02 ? 235 ALA A H 1 ATOM 2241 N N . ASN A 1 235 ? 46.522 10.729 9.066 1.00 6.14 ? 236 ASN A N 1 ATOM 2242 C CA . ASN A 1 235 ? 45.670 9.542 8.927 1.00 6.54 ? 236 ASN A CA 1 ATOM 2243 C C . ASN A 1 235 ? 46.364 8.357 8.280 1.00 8.15 ? 236 ASN A C 1 ATOM 2244 O O . ASN A 1 235 ? 47.188 8.528 7.386 1.00 8.95 ? 236 ASN A O 1 ATOM 2245 C CB . ASN A 1 235 ? 44.467 9.824 7.988 1.00 6.21 ? 236 ASN A CB 1 ATOM 2246 C CG . ASN A 1 235 ? 43.563 10.939 8.474 1.00 6.28 ? 236 ASN A CG 1 ATOM 2247 O OD1 . ASN A 1 235 ? 42.717 10.719 9.327 1.00 7.22 ? 236 ASN A OD1 1 ATOM 2248 N ND2 . ASN A 1 235 ? 43.711 12.127 7.904 1.00 5.80 ? 236 ASN A ND2 1 ATOM 2249 H H . ASN A 1 235 ? 47.218 10.873 8.394 1.00 6.14 ? 236 ASN A H 1 ATOM 2250 H HD21 . ASN A 1 235 ? 43.151 12.873 8.231 1.00 5.80 ? 236 ASN A HD21 1 ATOM 2251 H HD22 . ASN A 1 235 ? 44.374 12.226 7.183 1.00 5.80 ? 236 ASN A HD22 1 ATOM 2252 N N . PHE A 1 236 ? 46.024 7.160 8.739 1.00 8.28 ? 237 PHE A N 1 ATOM 2253 C CA . PHE A 1 236 ? 46.494 5.951 8.086 1.00 9.42 ? 237 PHE A CA 1 ATOM 2254 C C . PHE A 1 236 ? 45.351 5.700 7.096 1.00 11.51 ? 237 PHE A C 1 ATOM 2255 O O . PHE A 1 236 ? 44.244 6.218 7.286 1.00 11.28 ? 237 PHE A O 1 ATOM 2256 C CB . PHE A 1 236 ? 46.612 4.790 9.066 1.00 9.53 ? 237 PHE A CB 1 ATOM 2257 C CG . PHE A 1 236 ? 47.871 4.818 9.870 1.00 10.03 ? 237 PHE A CG 1 ATOM 2258 C CD1 . PHE A 1 236 ? 49.103 4.604 9.254 1.00 10.91 ? 237 PHE A CD1 1 ATOM 2259 C CD2 . PHE A 1 236 ? 47.838 5.091 11.231 1.00 10.20 ? 237 PHE A CD2 1 ATOM 2260 C CE1 . PHE A 1 236 ? 50.285 4.668 9.986 1.00 11.05 ? 237 PHE A CE1 1 ATOM 2261 C CE2 . PHE A 1 236 ? 49.016 5.156 11.979 1.00 11.40 ? 237 PHE A CE2 1 ATOM 2262 C CZ . PHE A 1 236 ? 50.239 4.945 11.354 1.00 12.33 ? 237 PHE A CZ 1 ATOM 2263 H H . PHE A 1 236 ? 45.434 7.090 9.510 1.00 8.28 ? 237 PHE A H 1 ATOM 2264 N N . ASP A 1 237 ? 45.633 4.961 6.027 1.00 11.70 ? 238 ASP A N 1 ATOM 2265 C CA . ASP A 1 237 ? 44.660 4.626 4.983 1.00 13.30 ? 238 ASP A CA 1 ATOM 2266 C C . ASP A 1 237 ? 44.340 5.820 4.097 1.00 14.53 ? 238 ASP A C 1 ATOM 2267 O O . ASP A 1 237 ? 43.254 5.907 3.525 1.00 15.66 ? 238 ASP A O 1 ATOM 2268 C CB . ASP A 1 237 ? 43.354 4.066 5.574 1.00 14.15 ? 238 ASP A CB 1 ATOM 2269 C CG . ASP A 1 237 ? 43.592 2.957 6.578 1.00 17.09 ? 238 ASP A CG 1 ATOM 2270 O OD1 . ASP A 1 237 ? 44.303 1.976 6.254 1.00 18.58 ? 238 ASP A OD1 1 ATOM 2271 O OD2 . ASP A 1 237 ? 43.072 3.074 7.707 1.00 17.27 ? 238 ASP A OD2 1 ATOM 2272 H H . ASP A 1 237 ? 46.554 4.643 5.928 1.00 11.70 ? 238 ASP A H 1 ATOM 2273 N N . SER A 1 238 ? 45.285 6.742 3.986 1.00 14.73 ? 239 SER A N 1 ATOM 2274 C CA . SER A 1 238 ? 45.101 7.925 3.163 1.00 16.71 ? 239 SER A CA 1 ATOM 2275 C C . SER A 1 238 ? 46.248 8.012 2.155 1.00 17.63 ? 239 SER A C 1 ATOM 2276 O O . SER A 1 238 ? 47.365 7.577 2.431 1.00 18.78 ? 239 SER A O 1 ATOM 2277 C CB . SER A 1 238 ? 45.086 9.176 4.039 1.00 15.28 ? 239 SER A CB 1 ATOM 2278 O OG . SER A 1 238 ? 44.971 10.353 3.260 1.00 16.66 ? 239 SER A OG 1 ATOM 2279 H H . SER A 1 238 ? 46.151 6.626 4.433 1.00 14.73 ? 239 SER A H 1 ATOM 2280 H HG . SER A 1 238 ? 45.094 11.074 3.910 1.00 16.66 ? 239 SER A HG 1 ATOM 2281 N N . SER A 1 239 ? 45.963 8.594 0.998 1.00 18.14 ? 240 SER A N 1 ATOM 2282 C CA . SER A 1 239 ? 46.955 8.756 -0.059 1.00 18.39 ? 240 SER A CA 1 ATOM 2283 C C . SER A 1 239 ? 47.591 10.149 -0.037 1.00 16.69 ? 240 SER A C 1 ATOM 2284 O O . SER A 1 239 ? 48.419 10.469 -0.892 1.00 17.98 ? 240 SER A O 1 ATOM 2285 C CB . SER A 1 239 ? 46.293 8.521 -1.425 1.00 21.38 ? 240 SER A CB 1 ATOM 2286 O OG . SER A 1 239 ? 45.161 9.378 -1.599 1.00 25.83 ? 240 SER A OG 1 ATOM 2287 H H . SER A 1 239 ? 45.056 8.938 0.822 1.00 18.14 ? 240 SER A H 1 ATOM 2288 H HG . SER A 1 239 ? 44.772 9.204 -2.463 1.00 25.83 ? 240 SER A HG 1 ATOM 2289 N N . ARG A 1 240 ? 47.179 10.986 0.911 1.00 13.04 ? 241 ARG A N 1 ATOM 2290 C CA . ARG A 1 240 ? 47.714 12.342 1.015 1.00 11.07 ? 241 ARG A CA 1 ATOM 2291 C C . ARG A 1 240 ? 49.103 12.352 1.664 1.00 10.21 ? 241 ARG A C 1 ATOM 2292 O O . ARG A 1 240 ? 49.598 11.317 2.119 1.00 10.77 ? 241 ARG A O 1 ATOM 2293 C CB . ARG A 1 240 ? 46.779 13.197 1.859 1.00 9.67 ? 241 ARG A CB 1 ATOM 2294 C CG . ARG A 1 240 ? 45.369 13.265 1.353 1.00 11.56 ? 241 ARG A CG 1 ATOM 2295 C CD . ARG A 1 240 ? 44.538 14.003 2.365 1.00 11.39 ? 241 ARG A CD 1 ATOM 2296 N NE . ARG A 1 240 ? 43.119 14.033 2.036 1.00 11.46 ? 241 ARG A NE 1 ATOM 2297 C CZ . ARG A 1 240 ? 42.174 14.366 2.913 1.00 9.57 ? 241 ARG A CZ 1 ATOM 2298 N NH1 . ARG A 1 240 ? 42.516 14.687 4.156 1.00 6.64 ? 241 ARG A NH1 1 ATOM 2299 N NH2 . ARG A 1 240 ? 40.893 14.386 2.549 1.00 8.62 ? 241 ARG A NH2 1 ATOM 2300 H H . ARG A 1 240 ? 46.505 10.673 1.551 1.00 13.04 ? 241 ARG A H 1 ATOM 2301 H HE . ARG A 1 240 ? 42.857 13.778 1.122 1.00 11.46 ? 241 ARG A HE 1 ATOM 2302 H HH11 . ARG A 1 240 ? 43.476 14.680 4.467 1.00 6.64 ? 241 ARG A HH11 1 ATOM 2303 H HH12 . ARG A 1 240 ? 41.806 14.932 4.821 1.00 6.64 ? 241 ARG A HH12 1 ATOM 2304 H HH21 . ARG A 1 240 ? 40.628 14.167 1.606 1.00 8.62 ? 241 ARG A HH21 1 ATOM 2305 H HH22 . ARG A 1 240 ? 40.183 14.657 3.203 1.00 8.62 ? 241 ARG A HH22 1 ATOM 2306 N N . SER A 1 241 ? 49.711 13.530 1.743 1.00 8.97 ? 242 SER A N 1 ATOM 2307 C CA . SER A 1 241 ? 51.013 13.656 2.379 1.00 10.26 ? 242 SER A CA 1 ATOM 2308 C C . SER A 1 241 ? 50.888 13.341 3.874 1.00 9.22 ? 242 SER A C 1 ATOM 2309 O O . SER A 1 241 ? 51.808 12.793 4.475 1.00 12.12 ? 242 SER A O 1 ATOM 2310 C CB . SER A 1 241 ? 51.570 15.081 2.197 1.00 9.55 ? 242 SER A CB 1 ATOM 2311 O OG . SER A 1 241 ? 50.738 16.065 2.803 1.00 10.16 ? 242 SER A OG 1 ATOM 2312 H H . SER A 1 241 ? 49.288 14.327 1.364 1.00 8.97 ? 242 SER A H 1 ATOM 2313 H HG . SER A 1 241 ? 50.930 16.921 2.396 1.00 10.16 ? 242 SER A HG 1 ATOM 2314 N N . GLY A 1 242 ? 49.757 13.701 4.476 1.00 7.96 ? 243 GLY A N 1 ATOM 2315 C CA . GLY A 1 242 ? 49.586 13.464 5.898 1.00 8.20 ? 243 GLY A CA 1 ATOM 2316 C C . GLY A 1 242 ? 49.835 14.721 6.727 1.00 6.79 ? 243 GLY A C 1 ATOM 2317 O O . GLY A 1 242 ? 49.688 14.683 7.945 1.00 8.53 ? 243 GLY A O 1 ATOM 2318 H H . GLY A 1 242 ? 49.047 14.161 3.976 1.00 7.96 ? 243 GLY A H 1 ATOM 2319 N N . LYS A 1 243 ? 50.288 15.804 6.094 1.00 6.49 ? 244 LYS A N 1 ATOM 2320 C CA . LYS A 1 243 ? 50.510 17.075 6.793 1.00 5.85 ? 244 LYS A CA 1 ATOM 2321 C C . LYS A 1 243 ? 49.107 17.665 6.882 1.00 6.31 ? 244 LYS A C 1 ATOM 2322 O O . LYS A 1 243 ? 48.468 17.908 5.851 1.00 5.93 ? 244 LYS A O 1 ATOM 2323 C CB . LYS A 1 243 ? 51.447 17.971 5.983 1.00 7.60 ? 244 LYS A CB 1 ATOM 2324 C CG . LYS A 1 243 ? 52.851 17.403 5.912 1.00 9.63 ? 244 LYS A CG 1 ATOM 2325 C CD . LYS A 1 243 ? 53.774 18.229 5.044 1.00 12.79 ? 244 LYS A CD 1 ATOM 2326 C CE . LYS A 1 243 ? 55.114 17.512 4.892 1.00 13.89 ? 244 LYS A CE 1 ATOM 2327 N NZ . LYS A 1 243 ? 56.031 18.268 4.004 1.00 17.09 ? 244 LYS A NZ 1 ATOM 2328 H H . LYS A 1 243 ? 50.428 15.774 5.125 1.00 6.49 ? 244 LYS A H 1 ATOM 2329 H HZ1 . LYS A 1 243 ? 55.604 18.468 3.073 1.00 17.09 ? 244 LYS A HZ1 1 ATOM 2330 H HZ2 . LYS A 1 243 ? 56.236 19.179 4.461 1.00 17.09 ? 244 LYS A HZ2 1 ATOM 2331 H HZ3 . LYS A 1 243 ? 56.930 17.741 3.908 1.00 17.09 ? 244 LYS A HZ3 1 ATOM 2332 N N . ASP A 1 244 ? 48.643 17.947 8.095 1.00 4.20 ? 245 ASP A N 1 ATOM 2333 C CA . ASP A 1 244 ? 47.253 18.376 8.270 1.00 3.29 ? 245 ASP A CA 1 ATOM 2334 C C . ASP A 1 244 ? 47.126 19.051 9.641 1.00 4.48 ? 245 ASP A C 1 ATOM 2335 O O . ASP A 1 244 ? 47.674 18.550 10.617 1.00 4.82 ? 245 ASP A O 1 ATOM 2336 C CB . ASP A 1 244 ? 46.431 17.068 8.225 1.00 5.20 ? 245 ASP A CB 1 ATOM 2337 C CG . ASP A 1 244 ? 44.923 17.276 8.177 1.00 5.18 ? 245 ASP A CG 1 ATOM 2338 O OD1 . ASP A 1 244 ? 44.406 18.196 8.826 1.00 6.43 ? 245 ASP A OD1 1 ATOM 2339 O OD2 . ASP A 1 244 ? 44.246 16.445 7.539 1.00 5.17 ? 245 ASP A OD2 1 ATOM 2340 H H . ASP A 1 244 ? 49.216 17.849 8.893 1.00 4.20 ? 245 ASP A H 1 ATOM 2341 N N A THR A 1 245 ? 46.397 20.163 9.718 0.41 3.52 ? 246 THR A N 1 ATOM 2342 N N B THR A 1 245 ? 46.389 20.155 9.707 0.59 3.30 ? 246 THR A N 1 ATOM 2343 C CA A THR A 1 245 ? 46.217 20.866 10.988 0.41 4.64 ? 246 THR A CA 1 ATOM 2344 C CA B THR A 1 245 ? 46.181 20.884 10.955 0.59 5.00 ? 246 THR A CA 1 ATOM 2345 C C A THR A 1 245 ? 45.490 20.006 12.024 0.41 4.52 ? 246 THR A C 1 ATOM 2346 C C B THR A 1 245 ? 45.447 20.029 12.005 0.59 4.65 ? 246 THR A C 1 ATOM 2347 O O A THR A 1 245 ? 45.423 20.357 13.203 0.41 5.03 ? 246 THR A O 1 ATOM 2348 O O B THR A 1 245 ? 45.365 20.389 13.181 0.59 5.29 ? 246 THR A O 1 ATOM 2349 C CB A THR A 1 245 ? 45.542 22.240 10.814 0.41 4.87 ? 246 THR A CB 1 ATOM 2350 C CB B THR A 1 245 ? 45.490 22.229 10.679 0.59 5.55 ? 246 THR A CB 1 ATOM 2351 O OG1 A THR A 1 245 ? 44.423 22.125 9.932 0.41 4.33 ? 246 THR A OG1 1 ATOM 2352 O OG1 B THR A 1 245 ? 46.307 22.969 9.760 0.59 6.87 ? 246 THR A OG1 1 ATOM 2353 C CG2 A THR A 1 245 ? 46.542 23.240 10.251 0.41 5.13 ? 246 THR A CG2 1 ATOM 2354 C CG2 B THR A 1 245 ? 45.343 23.040 11.962 0.59 5.48 ? 246 THR A CG2 1 ATOM 2355 H H A THR A 1 245 ? 45.929 20.515 8.935 0.41 3.52 ? 246 THR A H 1 ATOM 2356 H H B THR A 1 245 ? 45.983 20.512 8.897 0.59 3.30 ? 246 THR A H 1 ATOM 2357 H HG1 A THR A 1 245 ? 44.194 22.996 9.588 0.41 4.33 ? 246 THR A HG1 1 ATOM 2358 H HG1 B THR A 1 245 ? 45.786 23.679 9.362 0.59 6.87 ? 246 THR A HG1 1 ATOM 2359 N N . ASN A 1 246 ? 44.980 18.863 11.569 1.00 4.43 ? 247 ASN A N 1 ATOM 2360 C CA . ASN A 1 246 ? 44.335 17.859 12.418 1.00 3.54 ? 247 ASN A CA 1 ATOM 2361 C C . ASN A 1 246 ? 45.325 17.606 13.575 1.00 4.77 ? 247 ASN A C 1 ATOM 2362 O O . ASN A 1 246 ? 44.941 17.534 14.747 1.00 3.90 ? 247 ASN A O 1 ATOM 2363 C CB . ASN A 1 246 ? 44.216 16.602 11.512 1.00 4.80 ? 247 ASN A CB 1 ATOM 2364 C CG . ASN A 1 246 ? 44.154 15.253 12.254 1.00 5.97 ? 247 ASN A CG 1 ATOM 2365 O OD1 . ASN A 1 246 ? 44.814 15.006 13.272 1.00 4.61 ? 247 ASN A OD1 1 ATOM 2366 N ND2 . ASN A 1 246 ? 43.450 14.319 11.634 1.00 6.20 ? 247 ASN A ND2 1 ATOM 2367 H H . ASN A 1 246 ? 45.055 18.684 10.616 1.00 4.43 ? 247 ASN A H 1 ATOM 2368 H HD21 . ASN A 1 246 ? 43.356 13.438 12.042 1.00 6.20 ? 247 ASN A HD21 1 ATOM 2369 H HD22 . ASN A 1 246 ? 43.042 14.549 10.767 1.00 6.20 ? 247 ASN A HD22 1 ATOM 2370 N N . THR A 1 247 ? 46.617 17.557 13.243 1.00 4.09 ? 248 THR A N 1 ATOM 2371 C CA . THR A 1 247 ? 47.652 17.271 14.224 1.00 4.42 ? 248 THR A CA 1 ATOM 2372 C C . THR A 1 247 ? 47.930 18.415 15.208 1.00 4.56 ? 248 THR A C 1 ATOM 2373 O O . THR A 1 247 ? 48.249 18.162 16.368 1.00 6.15 ? 248 THR A O 1 ATOM 2374 C CB . THR A 1 247 ? 48.937 16.773 13.524 1.00 4.06 ? 248 THR A CB 1 ATOM 2375 O OG1 . THR A 1 247 ? 49.427 17.803 12.664 1.00 4.81 ? 248 THR A OG1 1 ATOM 2376 C CG2 . THR A 1 247 ? 48.633 15.516 12.695 1.00 3.41 ? 248 THR A CG2 1 ATOM 2377 H H . THR A 1 247 ? 46.927 17.701 12.322 1.00 4.09 ? 248 THR A H 1 ATOM 2378 H HG1 . THR A 1 247 ? 49.828 17.415 11.865 1.00 4.81 ? 248 THR A HG1 1 ATOM 2379 N N . LEU A 1 248 ? 47.786 19.662 14.764 1.00 4.75 ? 249 LEU A N 1 ATOM 2380 C CA . LEU A 1 248 ? 47.962 20.819 15.648 1.00 5.21 ? 249 LEU A CA 1 ATOM 2381 C C . LEU A 1 248 ? 46.781 20.830 16.625 1.00 5.19 ? 249 LEU A C 1 ATOM 2382 O O . LEU A 1 248 ? 46.948 21.071 17.819 1.00 5.01 ? 249 LEU A O 1 ATOM 2383 C CB . LEU A 1 248 ? 47.971 22.136 14.855 1.00 5.93 ? 249 LEU A CB 1 ATOM 2384 C CG . LEU A 1 248 ? 49.322 22.632 14.309 1.00 9.77 ? 249 LEU A CG 1 ATOM 2385 C CD1 . LEU A 1 248 ? 49.982 21.579 13.435 1.00 8.87 ? 249 LEU A CD1 1 ATOM 2386 C CD2 . LEU A 1 248 ? 49.113 23.941 13.535 1.00 9.68 ? 249 LEU A CD2 1 ATOM 2387 H H . LEU A 1 248 ? 47.524 19.802 13.834 1.00 4.75 ? 249 LEU A H 1 ATOM 2388 N N . LEU A 1 249 ? 45.586 20.545 16.112 1.00 4.81 ? 250 LEU A N 1 ATOM 2389 C CA . LEU A 1 249 ? 44.383 20.509 16.945 1.00 4.11 ? 250 LEU A CA 1 ATOM 2390 C C . LEU A 1 249 ? 44.488 19.412 17.990 1.00 4.78 ? 250 LEU A C 1 ATOM 2391 O O . LEU A 1 249 ? 44.088 19.615 19.140 1.00 4.10 ? 250 LEU A O 1 ATOM 2392 C CB . LEU A 1 249 ? 43.130 20.320 16.081 1.00 4.49 ? 250 LEU A CB 1 ATOM 2393 C CG . LEU A 1 249 ? 42.761 21.587 15.296 1.00 4.06 ? 250 LEU A CG 1 ATOM 2394 C CD1 . LEU A 1 249 ? 41.819 21.264 14.123 1.00 5.75 ? 250 LEU A CD1 1 ATOM 2395 C CD2 . LEU A 1 249 ? 42.166 22.634 16.239 1.00 5.81 ? 250 LEU A CD2 1 ATOM 2396 H H . LEU A 1 249 ? 45.500 20.359 15.148 1.00 4.81 ? 250 LEU A H 1 ATOM 2397 N N . GLY A 1 250 ? 45.046 18.264 17.595 1.00 3.71 ? 251 GLY A N 1 ATOM 2398 C CA . GLY A 1 250 ? 45.229 17.157 18.520 1.00 4.63 ? 251 GLY A CA 1 ATOM 2399 C C . GLY A 1 250 ? 46.115 17.572 19.679 1.00 6.49 ? 251 GLY A C 1 ATOM 2400 O O . GLY A 1 250 ? 45.851 17.223 20.834 1.00 7.36 ? 251 GLY A O 1 ATOM 2401 H H . GLY A 1 250 ? 45.307 18.161 16.654 1.00 3.71 ? 251 GLY A H 1 ATOM 2402 N N . SER A 1 251 ? 47.168 18.323 19.377 1.00 3.41 ? 252 SER A N 1 ATOM 2403 C CA . SER A 1 251 ? 48.091 18.807 20.399 1.00 4.70 ? 252 SER A CA 1 ATOM 2404 C C . SER A 1 251 ? 47.459 19.859 21.326 1.00 4.46 ? 252 SER A C 1 ATOM 2405 O O . SER A 1 251 ? 47.477 19.698 22.553 1.00 4.93 ? 252 SER A O 1 ATOM 2406 C CB . SER A 1 251 ? 49.367 19.368 19.739 1.00 5.10 ? 252 SER A CB 1 ATOM 2407 O OG . SER A 1 251 ? 50.321 19.797 20.708 1.00 7.10 ? 252 SER A OG 1 ATOM 2408 H H . SER A 1 251 ? 47.343 18.557 18.439 1.00 3.41 ? 252 SER A H 1 ATOM 2409 H HG . SER A 1 251 ? 50.614 19.005 21.190 1.00 7.10 ? 252 SER A HG 1 ATOM 2410 N N . ILE A 1 252 ? 46.841 20.897 20.769 1.00 4.95 ? 253 ILE A N 1 ATOM 2411 C CA . ILE A 1 252 ? 46.269 21.936 21.629 1.00 4.08 ? 253 ILE A CA 1 ATOM 2412 C C . ILE A 1 252 ? 45.070 21.465 22.466 1.00 5.76 ? 253 ILE A C 1 ATOM 2413 O O . ILE A 1 252 ? 44.865 21.948 23.583 1.00 5.15 ? 253 ILE A O 1 ATOM 2414 C CB . ILE A 1 252 ? 45.921 23.255 20.864 1.00 5.08 ? 253 ILE A CB 1 ATOM 2415 C CG1 . ILE A 1 252 ? 44.766 23.040 19.882 1.00 4.52 ? 253 ILE A CG1 1 ATOM 2416 C CG2 . ILE A 1 252 ? 47.178 23.799 20.150 1.00 4.84 ? 253 ILE A CG2 1 ATOM 2417 C CD1 . ILE A 1 252 ? 44.196 24.347 19.331 1.00 6.24 ? 253 ILE A CD1 1 ATOM 2418 H H . ILE A 1 252 ? 46.789 20.984 19.794 1.00 4.95 ? 253 ILE A H 1 ATOM 2419 N N . HIS A 1 253 ? 44.310 20.497 21.953 1.00 4.72 ? 254 HIS A N 1 ATOM 2420 C CA . HIS A 1 253 ? 43.157 19.980 22.687 1.00 4.71 ? 254 HIS A CA 1 ATOM 2421 C C . HIS A 1 253 ? 43.506 18.895 23.702 1.00 5.09 ? 254 HIS A C 1 ATOM 2422 O O . HIS A 1 253 ? 42.640 18.424 24.444 1.00 5.86 ? 254 HIS A O 1 ATOM 2423 C CB . HIS A 1 253 ? 42.023 19.592 21.728 1.00 4.20 ? 254 HIS A CB 1 ATOM 2424 C CG . HIS A 1 253 ? 41.366 20.784 21.110 1.00 6.93 ? 254 HIS A CG 1 ATOM 2425 N ND1 . HIS A 1 253 ? 40.735 21.749 21.865 1.00 8.17 ? 254 HIS A ND1 1 ATOM 2426 C CD2 . HIS A 1 253 ? 41.341 21.237 19.833 1.00 7.02 ? 254 HIS A CD2 1 ATOM 2427 C CE1 . HIS A 1 253 ? 40.356 22.745 21.087 1.00 9.33 ? 254 HIS A CE1 1 ATOM 2428 N NE2 . HIS A 1 253 ? 40.713 22.460 19.847 1.00 7.01 ? 254 HIS A NE2 1 ATOM 2429 H H . HIS A 1 253 ? 44.519 20.134 21.063 1.00 4.72 ? 254 HIS A H 1 ATOM 2430 H HD1 . HIS A 1 253 ? 40.601 21.733 22.838 1.00 8.17 ? 254 HIS A HD1 1 ATOM 2431 H HE2 . HIS A 1 253 ? 40.537 23.042 19.073 1.00 7.01 ? 254 HIS A HE2 1 ATOM 2432 N N . THR A 1 254 ? 44.775 18.488 23.727 1.00 4.33 ? 255 THR A N 1 ATOM 2433 C CA . THR A 1 254 ? 45.238 17.530 24.725 1.00 4.44 ? 255 THR A CA 1 ATOM 2434 C C . THR A 1 254 ? 46.374 18.170 25.538 1.00 5.45 ? 255 THR A C 1 ATOM 2435 O O . THR A 1 254 ? 47.106 17.487 26.255 1.00 6.73 ? 255 THR A O 1 ATOM 2436 C CB . THR A 1 254 ? 45.658 16.147 24.152 1.00 5.29 ? 255 THR A CB 1 ATOM 2437 O OG1 . THR A 1 254 ? 46.742 16.291 23.226 1.00 5.21 ? 255 THR A OG1 1 ATOM 2438 C CG2 . THR A 1 254 ? 44.468 15.465 23.470 1.00 5.09 ? 255 THR A CG2 1 ATOM 2439 H H . THR A 1 254 ? 45.424 18.814 23.073 1.00 4.33 ? 255 THR A H 1 ATOM 2440 H HG1 . THR A 1 254 ? 46.416 16.710 22.429 1.00 5.21 ? 255 THR A HG1 1 ATOM 2441 N N . PHE A 1 255 ? 46.520 19.487 25.405 1.00 4.71 ? 256 PHE A N 1 ATOM 2442 C CA . PHE A 1 255 ? 47.516 20.236 26.168 1.00 5.53 ? 256 PHE A CA 1 ATOM 2443 C C . PHE A 1 255 ? 47.184 20.140 27.667 1.00 5.99 ? 256 PHE A C 1 ATOM 2444 O O . PHE A 1 255 ? 46.037 20.354 28.074 1.00 6.22 ? 256 PHE A O 1 ATOM 2445 C CB . PHE A 1 255 ? 47.490 21.714 25.737 1.00 5.52 ? 256 PHE A CB 1 ATOM 2446 C CG . PHE A 1 255 ? 48.207 22.653 26.687 1.00 6.90 ? 256 PHE A CG 1 ATOM 2447 C CD1 . PHE A 1 255 ? 49.525 22.404 27.083 1.00 7.60 ? 256 PHE A CD1 1 ATOM 2448 C CD2 . PHE A 1 255 ? 47.562 23.798 27.163 1.00 8.36 ? 256 PHE A CD2 1 ATOM 2449 C CE1 . PHE A 1 255 ? 50.192 23.286 27.940 1.00 8.40 ? 256 PHE A CE1 1 ATOM 2450 C CE2 . PHE A 1 255 ? 48.215 24.693 28.019 1.00 10.00 ? 256 PHE A CE2 1 ATOM 2451 C CZ . PHE A 1 255 ? 49.538 24.434 28.407 1.00 9.72 ? 256 PHE A CZ 1 ATOM 2452 H H . PHE A 1 255 ? 45.950 19.988 24.788 1.00 4.71 ? 256 PHE A H 1 ATOM 2453 N N . ASP A 1 256 ? 48.179 19.787 28.475 1.00 5.37 ? 257 ASP A N 1 ATOM 2454 C CA . ASP A 1 256 ? 48.023 19.712 29.931 1.00 5.37 ? 257 ASP A CA 1 ATOM 2455 C C . ASP A 1 256 ? 49.071 20.694 30.490 1.00 6.34 ? 257 ASP A C 1 ATOM 2456 O O . ASP A 1 256 ? 50.270 20.501 30.286 1.00 5.98 ? 257 ASP A O 1 ATOM 2457 C CB . ASP A 1 256 ? 48.302 18.285 30.429 1.00 6.29 ? 257 ASP A CB 1 ATOM 2458 C CG . ASP A 1 256 ? 47.975 18.102 31.896 1.00 7.64 ? 257 ASP A CG 1 ATOM 2459 O OD1 . ASP A 1 256 ? 48.264 19.018 32.689 1.00 9.12 ? 257 ASP A OD1 1 ATOM 2460 O OD2 . ASP A 1 256 ? 47.408 17.048 32.262 1.00 8.83 ? 257 ASP A OD2 1 ATOM 2461 H H . ASP A 1 256 ? 49.059 19.562 28.088 1.00 5.37 ? 257 ASP A H 1 ATOM 2462 N N . PRO A 1 257 ? 48.634 21.768 31.176 1.00 7.89 ? 258 PRO A N 1 ATOM 2463 C CA . PRO A 1 257 ? 49.578 22.750 31.735 1.00 9.43 ? 258 PRO A CA 1 ATOM 2464 C C . PRO A 1 257 ? 50.606 22.210 32.740 1.00 9.81 ? 258 PRO A C 1 ATOM 2465 O O . PRO A 1 257 ? 51.598 22.883 33.035 1.00 11.17 ? 258 PRO A O 1 ATOM 2466 C CB . PRO A 1 257 ? 48.655 23.803 32.358 1.00 9.26 ? 258 PRO A CB 1 ATOM 2467 C CG . PRO A 1 257 ? 47.417 23.032 32.696 1.00 10.09 ? 258 PRO A CG 1 ATOM 2468 C CD . PRO A 1 257 ? 47.242 22.137 31.501 1.00 8.30 ? 258 PRO A CD 1 ATOM 2469 N N . GLU A 1 258 ? 50.372 21.017 33.271 1.00 10.29 ? 259 GLU A N 1 ATOM 2470 C CA . GLU A 1 258 ? 51.301 20.400 34.223 1.00 12.78 ? 259 GLU A CA 1 ATOM 2471 C C . GLU A 1 258 ? 52.295 19.493 33.513 1.00 11.73 ? 259 GLU A C 1 ATOM 2472 O O . GLU A 1 258 ? 53.223 18.975 34.137 1.00 12.00 ? 259 GLU A O 1 ATOM 2473 C CB . GLU A 1 258 ? 50.555 19.541 35.240 1.00 15.35 ? 259 GLU A CB 1 ATOM 2474 C CG . GLU A 1 258 ? 49.692 20.304 36.218 1.00 22.52 ? 259 GLU A CG 1 ATOM 2475 C CD . GLU A 1 258 ? 48.971 19.378 37.207 1.00 28.41 ? 259 GLU A CD 1 ATOM 2476 O OE1 . GLU A 1 258 ? 49.066 18.128 37.068 1.00 31.56 ? 259 GLU A OE1 1 ATOM 2477 O OE2 . GLU A 1 258 ? 48.289 19.900 38.119 1.00 31.97 ? 259 GLU A OE2 1 ATOM 2478 H H . GLU A 1 258 ? 49.559 20.527 33.039 1.00 10.29 ? 259 GLU A H 1 ATOM 2479 N N . ALA A 1 259 ? 52.097 19.292 32.214 1.00 9.97 ? 260 ALA A N 1 ATOM 2480 C CA . ALA A 1 259 ? 52.956 18.411 31.441 1.00 9.24 ? 260 ALA A CA 1 ATOM 2481 C C . ALA A 1 259 ? 54.252 19.065 31.014 1.00 9.34 ? 260 ALA A C 1 ATOM 2482 O O . ALA A 1 259 ? 54.327 20.291 30.881 1.00 10.30 ? 260 ALA A O 1 ATOM 2483 C CB . ALA A 1 259 ? 52.213 17.929 30.204 1.00 8.83 ? 260 ALA A CB 1 ATOM 2484 H H . ALA A 1 259 ? 51.371 19.742 31.747 1.00 9.97 ? 260 ALA A H 1 ATOM 2485 N N . GLY A 1 260 ? 55.280 18.239 30.838 1.00 10.83 ? 261 GLY A N 1 ATOM 2486 C CA . GLY A 1 260 ? 56.544 18.740 30.327 1.00 10.75 ? 261 GLY A CA 1 ATOM 2487 C C . GLY A 1 260 ? 56.425 18.640 28.806 1.00 10.12 ? 261 GLY A C 1 ATOM 2488 O O . GLY A 1 260 ? 55.334 18.367 28.283 1.00 8.75 ? 261 GLY A O 1 ATOM 2489 H H . GLY A 1 260 ? 55.170 17.281 31.046 1.00 10.83 ? 261 GLY A H 1 ATOM 2490 N N . CYS A 1 261 ? 57.529 18.820 28.087 1.00 8.04 ? 262 CYS A N 1 ATOM 2491 C CA . CYS A 1 261 ? 57.522 18.739 26.626 1.00 7.51 ? 262 CYS A CA 1 ATOM 2492 C C . CYS A 1 261 ? 57.608 17.263 26.220 1.00 8.51 ? 262 CYS A C 1 ATOM 2493 O O . CYS A 1 261 ? 58.562 16.830 25.569 1.00 8.36 ? 262 CYS A O 1 ATOM 2494 C CB . CYS A 1 261 ? 58.695 19.556 26.070 1.00 7.53 ? 262 CYS A CB 1 ATOM 2495 S SG . CYS A 1 261 ? 58.673 21.286 26.652 1.00 8.29 ? 262 CYS A SG 1 ATOM 2496 H H . CYS A 1 261 ? 58.381 19.003 28.537 1.00 8.04 ? 262 CYS A H 1 ATOM 2497 N N . ASP A 1 262 ? 56.557 16.513 26.552 1.00 8.03 ? 263 ASP A N 1 ATOM 2498 C CA . ASP A 1 262 ? 56.498 15.076 26.311 1.00 8.26 ? 263 ASP A CA 1 ATOM 2499 C C . ASP A 1 262 ? 56.163 14.661 24.900 1.00 7.96 ? 263 ASP A C 1 ATOM 2500 O O . ASP A 1 262 ? 55.074 14.954 24.394 1.00 7.11 ? 263 ASP A O 1 ATOM 2501 C CB . ASP A 1 262 ? 55.496 14.413 27.263 1.00 10.43 ? 263 ASP A CB 1 ATOM 2502 C CG . ASP A 1 262 ? 55.857 14.605 28.724 1.00 15.04 ? 263 ASP A CG 1 ATOM 2503 O OD1 . ASP A 1 262 ? 57.005 14.997 29.030 1.00 14.73 ? 263 ASP A OD1 1 ATOM 2504 O OD2 . ASP A 1 262 ? 54.991 14.371 29.580 1.00 16.30 ? 263 ASP A OD2 1 ATOM 2505 H H . ASP A 1 262 ? 55.779 16.927 26.989 1.00 8.03 ? 263 ASP A H 1 ATOM 2506 N N . ASP A 1 263 ? 57.092 13.935 24.290 1.00 6.49 ? 264 ASP A N 1 ATOM 2507 C CA . ASP A 1 263 ? 56.904 13.438 22.941 1.00 6.20 ? 264 ASP A CA 1 ATOM 2508 C C . ASP A 1 263 ? 55.815 12.373 22.876 1.00 5.92 ? 264 ASP A C 1 ATOM 2509 O O . ASP A 1 263 ? 55.060 12.322 21.906 1.00 5.32 ? 264 ASP A O 1 ATOM 2510 C CB . ASP A 1 263 ? 58.200 12.805 22.420 1.00 8.13 ? 264 ASP A CB 1 ATOM 2511 C CG . ASP A 1 263 ? 59.117 13.802 21.730 1.00 10.01 ? 264 ASP A CG 1 ATOM 2512 O OD1 . ASP A 1 263 ? 58.680 14.895 21.326 1.00 8.99 ? 264 ASP A OD1 1 ATOM 2513 O OD2 . ASP A 1 263 ? 60.302 13.470 21.561 1.00 13.30 ? 264 ASP A OD2 1 ATOM 2514 H H . ASP A 1 263 ? 57.924 13.733 24.774 1.00 6.49 ? 264 ASP A H 1 ATOM 2515 N N . SER A 1 264 ? 55.738 11.508 23.888 1.00 5.22 ? 265 SER A N 1 ATOM 2516 C CA . SER A 1 264 ? 54.755 10.417 23.850 1.00 6.45 ? 265 SER A CA 1 ATOM 2517 C C . SER A 1 264 ? 53.304 10.877 23.765 1.00 5.91 ? 265 SER A C 1 ATOM 2518 O O . SER A 1 264 ? 52.467 10.182 23.199 1.00 5.48 ? 265 SER A O 1 ATOM 2519 C CB . SER A 1 264 ? 54.944 9.457 25.025 1.00 8.01 ? 265 SER A CB 1 ATOM 2520 O OG . SER A 1 264 ? 54.725 10.114 26.250 1.00 9.70 ? 265 SER A OG 1 ATOM 2521 H H . SER A 1 264 ? 56.331 11.582 24.673 1.00 5.22 ? 265 SER A H 1 ATOM 2522 H HG . SER A 1 264 ? 54.879 9.459 26.943 1.00 9.70 ? 265 SER A HG 1 ATOM 2523 N N . THR A 1 265 ? 53.015 12.045 24.322 1.00 5.58 ? 266 THR A N 1 ATOM 2524 C CA . THR A 1 265 ? 51.661 12.589 24.279 1.00 5.93 ? 266 THR A CA 1 ATOM 2525 C C . THR A 1 265 ? 51.579 13.801 23.359 1.00 6.51 ? 266 THR A C 1 ATOM 2526 O O . THR A 1 265 ? 50.574 14.508 23.358 1.00 7.08 ? 266 THR A O 1 ATOM 2527 C CB . THR A 1 265 ? 51.157 12.969 25.681 1.00 7.25 ? 266 THR A CB 1 ATOM 2528 O OG1 . THR A 1 265 ? 52.072 13.899 26.275 1.00 7.53 ? 266 THR A OG1 1 ATOM 2529 C CG2 . THR A 1 265 ? 51.031 11.721 26.551 1.00 6.83 ? 266 THR A CG2 1 ATOM 2530 H H . THR A 1 265 ? 53.694 12.553 24.805 1.00 5.58 ? 266 THR A H 1 ATOM 2531 H HG1 . THR A 1 265 ? 51.951 13.928 27.230 1.00 7.53 ? 266 THR A HG1 1 ATOM 2532 N N . PHE A 1 266 ? 52.653 14.059 22.610 1.00 4.02 ? 267 PHE A N 1 ATOM 2533 C CA . PHE A 1 266 ? 52.704 15.164 21.648 1.00 5.89 ? 267 PHE A CA 1 ATOM 2534 C C . PHE A 1 266 ? 52.295 16.531 22.204 1.00 5.04 ? 267 PHE A C 1 ATOM 2535 O O . PHE A 1 266 ? 51.550 17.282 21.560 1.00 5.64 ? 267 PHE A O 1 ATOM 2536 C CB . PHE A 1 266 ? 51.868 14.804 20.409 1.00 6.94 ? 267 PHE A CB 1 ATOM 2537 C CG . PHE A 1 266 ? 52.310 13.532 19.734 1.00 7.35 ? 267 PHE A CG 1 ATOM 2538 C CD1 . PHE A 1 266 ? 51.818 12.301 20.148 1.00 7.03 ? 267 PHE A CD1 1 ATOM 2539 C CD2 . PHE A 1 266 ? 53.235 13.565 18.690 1.00 7.39 ? 267 PHE A CD2 1 ATOM 2540 C CE1 . PHE A 1 266 ? 52.239 11.111 19.534 1.00 7.21 ? 267 PHE A CE1 1 ATOM 2541 C CE2 . PHE A 1 266 ? 53.657 12.384 18.072 1.00 7.40 ? 267 PHE A CE2 1 ATOM 2542 C CZ . PHE A 1 266 ? 53.156 11.160 18.496 1.00 8.37 ? 267 PHE A CZ 1 ATOM 2543 H H . PHE A 1 266 ? 53.446 13.491 22.692 1.00 4.02 ? 267 PHE A H 1 ATOM 2544 N N . GLN A 1 267 ? 52.811 16.868 23.385 1.00 3.94 ? 268 GLN A N 1 ATOM 2545 C CA . GLN A 1 267 ? 52.503 18.151 24.016 1.00 4.42 ? 268 GLN A CA 1 ATOM 2546 C C . GLN A 1 267 ? 52.981 19.297 23.129 1.00 4.96 ? 268 GLN A C 1 ATOM 2547 O O . GLN A 1 267 ? 53.945 19.136 22.376 1.00 6.04 ? 268 GLN A O 1 ATOM 2548 C CB . GLN A 1 267 ? 53.147 18.227 25.407 1.00 4.69 ? 268 GLN A CB 1 ATOM 2549 C CG . GLN A 1 267 ? 52.476 17.326 26.422 1.00 6.11 ? 268 GLN A CG 1 ATOM 2550 C CD . GLN A 1 267 ? 51.012 17.679 26.610 1.00 5.88 ? 268 GLN A CD 1 ATOM 2551 O OE1 . GLN A 1 267 ? 50.681 18.795 27.005 1.00 5.70 ? 268 GLN A OE1 1 ATOM 2552 N NE2 . GLN A 1 267 ? 50.131 16.735 26.313 1.00 6.30 ? 268 GLN A NE2 1 ATOM 2553 H H . GLN A 1 267 ? 53.423 16.233 23.817 1.00 3.94 ? 268 GLN A H 1 ATOM 2554 H HE21 . GLN A 1 267 ? 49.175 16.939 26.401 1.00 6.30 ? 268 GLN A HE21 1 ATOM 2555 H HE22 . GLN A 1 267 ? 50.479 15.870 26.011 1.00 6.30 ? 268 GLN A HE22 1 ATOM 2556 N N . PRO A 1 268 ? 52.354 20.479 23.236 1.00 5.02 ? 269 PRO A N 1 ATOM 2557 C CA . PRO A 1 268 ? 52.738 21.634 22.418 1.00 5.27 ? 269 PRO A CA 1 ATOM 2558 C C . PRO A 1 268 ? 54.243 21.944 22.304 1.00 5.55 ? 269 PRO A C 1 ATOM 2559 O O . PRO A 1 268 ? 54.709 22.300 21.224 1.00 6.70 ? 269 PRO A O 1 ATOM 2560 C CB . PRO A 1 268 ? 51.954 22.771 23.061 1.00 5.43 ? 269 PRO A CB 1 ATOM 2561 C CG . PRO A 1 268 ? 50.665 22.075 23.464 1.00 5.31 ? 269 PRO A CG 1 ATOM 2562 C CD . PRO A 1 268 ? 51.207 20.812 24.105 1.00 5.72 ? 269 PRO A CD 1 ATOM 2563 N N . CYS A 1 269 ? 54.993 21.828 23.403 1.00 5.27 ? 270 CYS A N 1 ATOM 2564 C CA . CYS A 1 269 ? 56.435 22.103 23.370 1.00 6.33 ? 270 CYS A CA 1 ATOM 2565 C C . CYS A 1 269 ? 57.333 20.889 23.095 1.00 5.99 ? 270 CYS A C 1 ATOM 2566 O O . CYS A 1 269 ? 58.565 21.024 23.075 1.00 6.33 ? 270 CYS A O 1 ATOM 2567 C CB . CYS A 1 269 ? 56.902 22.831 24.642 1.00 6.43 ? 270 CYS A CB 1 ATOM 2568 S SG . CYS A 1 269 ? 56.781 21.902 26.203 1.00 6.63 ? 270 CYS A SG 1 ATOM 2569 H H . CYS A 1 269 ? 54.557 21.612 24.256 1.00 5.27 ? 270 CYS A H 1 ATOM 2570 N N . SER A 1 270 ? 56.743 19.708 22.901 1.00 4.97 ? 271 SER A N 1 ATOM 2571 C CA . SER A 1 270 ? 57.548 18.518 22.618 1.00 5.70 ? 271 SER A CA 1 ATOM 2572 C C . SER A 1 270 ? 58.269 18.707 21.275 1.00 6.30 ? 271 SER A C 1 ATOM 2573 O O . SER A 1 270 ? 57.765 19.370 20.367 1.00 5.36 ? 271 SER A O 1 ATOM 2574 C CB . SER A 1 270 ? 56.677 17.247 22.571 1.00 6.23 ? 271 SER A CB 1 ATOM 2575 O OG . SER A 1 270 ? 55.788 17.249 21.461 1.00 5.21 ? 271 SER A OG 1 ATOM 2576 H H . SER A 1 270 ? 55.770 19.641 22.896 1.00 4.97 ? 271 SER A H 1 ATOM 2577 H HG . SER A 1 270 ? 55.122 17.939 21.568 1.00 5.21 ? 271 SER A HG 1 ATOM 2578 N N . PRO A 1 271 ? 59.487 18.159 21.151 1.00 6.83 ? 272 PRO A N 1 ATOM 2579 C CA . PRO A 1 271 ? 60.236 18.297 19.896 1.00 6.83 ? 272 PRO A CA 1 ATOM 2580 C C . PRO A 1 271 ? 59.413 17.798 18.703 1.00 7.30 ? 272 PRO A C 1 ATOM 2581 O O . PRO A 1 271 ? 59.400 18.431 17.648 1.00 6.19 ? 272 PRO A O 1 ATOM 2582 C CB . PRO A 1 271 ? 61.466 17.420 20.146 1.00 6.97 ? 272 PRO A CB 1 ATOM 2583 C CG . PRO A 1 271 ? 61.701 17.597 21.607 1.00 8.22 ? 272 PRO A CG 1 ATOM 2584 C CD . PRO A 1 271 ? 60.299 17.492 22.183 1.00 6.52 ? 272 PRO A CD 1 ATOM 2585 N N . ARG A 1 272 ? 58.695 16.687 18.885 1.00 6.37 ? 273 ARG A N 1 ATOM 2586 C CA . ARG A 1 272 ? 57.866 16.136 17.809 1.00 7.27 ? 273 ARG A CA 1 ATOM 2587 C C . ARG A 1 272 ? 56.780 17.119 17.372 1.00 6.74 ? 273 ARG A C 1 ATOM 2588 O O . ARG A 1 272 ? 56.563 17.302 16.171 1.00 6.02 ? 273 ARG A O 1 ATOM 2589 C CB . ARG A 1 272 ? 57.194 14.836 18.236 1.00 8.00 ? 273 ARG A CB 1 ATOM 2590 C CG . ARG A 1 272 ? 58.092 13.620 18.327 1.00 11.62 ? 273 ARG A CG 1 ATOM 2591 C CD . ARG A 1 272 ? 57.221 12.473 18.798 1.00 13.53 ? 273 ARG A CD 1 ATOM 2592 N NE . ARG A 1 272 ? 57.940 11.218 18.924 1.00 16.10 ? 273 ARG A NE 1 ATOM 2593 C CZ . ARG A 1 272 ? 57.425 10.116 19.477 1.00 16.97 ? 273 ARG A CZ 1 ATOM 2594 N NH1 . ARG A 1 272 ? 56.181 10.109 19.972 1.00 12.95 ? 273 ARG A NH1 1 ATOM 2595 N NH2 . ARG A 1 272 ? 58.151 9.010 19.519 1.00 15.31 ? 273 ARG A NH2 1 ATOM 2596 H H . ARG A 1 272 ? 58.699 16.230 19.752 1.00 6.37 ? 273 ARG A H 1 ATOM 2597 H HE . ARG A 1 272 ? 58.868 11.187 18.583 1.00 16.10 ? 273 ARG A HE 1 ATOM 2598 H HH11 . ARG A 1 272 ? 55.612 10.934 19.948 1.00 12.95 ? 273 ARG A HH11 1 ATOM 2599 H HH12 . ARG A 1 272 ? 55.791 9.285 20.393 1.00 12.95 ? 273 ARG A HH12 1 ATOM 2600 H HH21 . ARG A 1 272 ? 59.075 8.981 19.164 1.00 15.31 ? 273 ARG A HH21 1 ATOM 2601 H HH22 . ARG A 1 272 ? 57.801 8.171 19.950 1.00 15.31 ? 273 ARG A HH22 1 ATOM 2602 N N . ALA A 1 273 ? 56.078 17.729 18.332 1.00 5.90 ? 274 ALA A N 1 ATOM 2603 C CA . ALA A 1 273 ? 55.017 18.684 17.994 1.00 5.63 ? 274 ALA A CA 1 ATOM 2604 C C . ALA A 1 273 ? 55.577 19.978 17.376 1.00 5.56 ? 274 ALA A C 1 ATOM 2605 O O . ALA A 1 273 ? 54.938 20.584 16.514 1.00 5.21 ? 274 ALA A O 1 ATOM 2606 C CB . ALA A 1 273 ? 54.141 18.988 19.216 1.00 5.56 ? 274 ALA A CB 1 ATOM 2607 H H . ALA A 1 273 ? 56.265 17.538 19.280 1.00 5.90 ? 274 ALA A H 1 ATOM 2608 N N . LEU A 1 274 ? 56.767 20.405 17.802 1.00 4.85 ? 275 LEU A N 1 ATOM 2609 C CA . LEU A 1 274 ? 57.372 21.612 17.226 1.00 5.72 ? 275 LEU A CA 1 ATOM 2610 C C . LEU A 1 274 ? 57.840 21.343 15.785 1.00 5.05 ? 275 LEU A C 1 ATOM 2611 O O . LEU A 1 274 ? 57.612 22.165 14.901 1.00 6.08 ? 275 LEU A O 1 ATOM 2612 C CB . LEU A 1 274 ? 58.529 22.122 18.093 1.00 6.05 ? 275 LEU A CB 1 ATOM 2613 C CG . LEU A 1 274 ? 58.107 22.641 19.479 1.00 6.10 ? 275 LEU A CG 1 ATOM 2614 C CD1 . LEU A 1 274 ? 59.330 22.980 20.301 1.00 9.89 ? 275 LEU A CD1 1 ATOM 2615 C CD2 . LEU A 1 274 ? 57.194 23.856 19.350 1.00 8.83 ? 275 LEU A CD2 1 ATOM 2616 H H . LEU A 1 274 ? 57.222 19.914 18.519 1.00 4.85 ? 275 LEU A H 1 ATOM 2617 N N . ALA A 1 275 ? 58.461 20.188 15.547 1.00 5.13 ? 276 ALA A N 1 ATOM 2618 C CA . ALA A 1 275 ? 58.907 19.815 14.202 1.00 5.65 ? 276 ALA A CA 1 ATOM 2619 C C . ALA A 1 275 ? 57.675 19.745 13.299 1.00 6.50 ? 276 ALA A C 1 ATOM 2620 O O . ALA A 1 275 ? 57.680 20.270 12.181 1.00 5.80 ? 276 ALA A O 1 ATOM 2621 C CB . ALA A 1 275 ? 59.609 18.457 14.228 1.00 5.40 ? 276 ALA A CB 1 ATOM 2622 H H . ALA A 1 275 ? 58.634 19.573 16.291 1.00 5.13 ? 276 ALA A H 1 ATOM 2623 N N . ASN A 1 276 ? 56.607 19.130 13.810 1.00 5.25 ? 277 ASN A N 1 ATOM 2624 C CA . ASN A 1 276 ? 55.358 19.000 13.066 1.00 4.71 ? 277 ASN A CA 1 ATOM 2625 C C . ASN A 1 276 ? 54.752 20.365 12.732 1.00 5.52 ? 277 ASN A C 1 ATOM 2626 O O . ASN A 1 276 ? 54.261 20.565 11.623 1.00 4.91 ? 277 ASN A O 1 ATOM 2627 C CB . ASN A 1 276 ? 54.340 18.168 13.852 1.00 4.77 ? 277 ASN A CB 1 ATOM 2628 C CG . ASN A 1 276 ? 53.036 17.977 13.091 1.00 5.32 ? 277 ASN A CG 1 ATOM 2629 O OD1 . ASN A 1 276 ? 52.991 17.276 12.082 1.00 5.28 ? 277 ASN A OD1 1 ATOM 2630 N ND2 . ASN A 1 276 ? 51.970 18.594 13.582 1.00 6.03 ? 277 ASN A ND2 1 ATOM 2631 H H . ASN A 1 276 ? 56.674 18.728 14.707 1.00 5.25 ? 277 ASN A H 1 ATOM 2632 H HD21 . ASN A 1 276 ? 51.127 18.528 13.095 1.00 6.03 ? 277 ASN A HD21 1 ATOM 2633 H HD22 . ASN A 1 276 ? 52.065 19.108 14.414 1.00 6.03 ? 277 ASN A HD22 1 ATOM 2634 N N . HIS A 1 277 ? 54.771 21.291 13.695 1.00 4.19 ? 278 HIS A N 1 ATOM 2635 C CA . HIS A 1 277 ? 54.229 22.640 13.498 1.00 5.90 ? 278 HIS A CA 1 ATOM 2636 C C . HIS A 1 277 ? 54.849 23.295 12.253 1.00 7.19 ? 278 HIS A C 1 ATOM 2637 O O . HIS A 1 277 ? 54.124 23.792 11.382 1.00 6.30 ? 278 HIS A O 1 ATOM 2638 C CB . HIS A 1 277 ? 54.483 23.501 14.747 1.00 5.67 ? 278 HIS A CB 1 ATOM 2639 C CG . HIS A 1 277 ? 53.802 24.835 14.730 1.00 6.22 ? 278 HIS A CG 1 ATOM 2640 N ND1 . HIS A 1 277 ? 54.322 25.935 14.075 1.00 6.61 ? 278 HIS A ND1 1 ATOM 2641 C CD2 . HIS A 1 277 ? 52.666 25.268 15.336 1.00 6.45 ? 278 HIS A CD2 1 ATOM 2642 C CE1 . HIS A 1 277 ? 53.544 26.982 14.281 1.00 7.68 ? 278 HIS A CE1 1 ATOM 2643 N NE2 . HIS A 1 277 ? 52.530 26.602 15.045 1.00 7.08 ? 278 HIS A NE2 1 ATOM 2644 H H . HIS A 1 277 ? 55.145 21.045 14.567 1.00 4.19 ? 278 HIS A H 1 ATOM 2645 H HD1 . HIS A 1 277 ? 55.143 25.975 13.527 1.00 6.61 ? 278 HIS A HD1 1 ATOM 2646 H HE2 . HIS A 1 277 ? 51.815 27.190 15.366 1.00 7.08 ? 278 HIS A HE2 1 ATOM 2647 N N . LYS A 1 278 ? 56.180 23.266 12.148 1.00 6.59 ? 279 LYS A N 1 ATOM 2648 C CA . LYS A 1 278 ? 56.837 23.867 10.992 1.00 7.49 ? 279 LYS A CA 1 ATOM 2649 C C . LYS A 1 278 ? 56.490 23.156 9.689 1.00 6.49 ? 279 LYS A C 1 ATOM 2650 O O . LYS A 1 278 ? 56.220 23.811 8.696 1.00 7.31 ? 279 LYS A O 1 ATOM 2651 C CB . LYS A 1 278 ? 58.355 23.944 11.168 1.00 9.22 ? 279 LYS A CB 1 ATOM 2652 C CG . LYS A 1 278 ? 59.035 24.544 9.933 1.00 9.96 ? 279 LYS A CG 1 ATOM 2653 C CD . LYS A 1 278 ? 60.466 24.955 10.184 1.00 12.43 ? 279 LYS A CD 1 ATOM 2654 C CE . LYS A 1 278 ? 61.114 25.498 8.909 1.00 11.14 ? 279 LYS A CE 1 ATOM 2655 N NZ . LYS A 1 278 ? 60.374 26.644 8.304 1.00 12.73 ? 279 LYS A NZ 1 ATOM 2656 H H . LYS A 1 278 ? 56.731 22.841 12.842 1.00 6.59 ? 279 LYS A H 1 ATOM 2657 H HZ1 . LYS A 1 278 ? 60.255 27.431 8.977 1.00 12.73 ? 279 LYS A HZ1 1 ATOM 2658 H HZ2 . LYS A 1 278 ? 60.952 26.974 7.497 1.00 12.73 ? 279 LYS A HZ2 1 ATOM 2659 H HZ3 . LYS A 1 278 ? 59.449 26.334 7.943 1.00 12.73 ? 279 LYS A HZ3 1 ATOM 2660 N N . GLU A 1 279 ? 56.485 21.826 9.703 1.00 5.59 ? 280 GLU A N 1 ATOM 2661 C CA . GLU A 1 279 ? 56.151 21.043 8.521 1.00 6.80 ? 280 GLU A CA 1 ATOM 2662 C C . GLU A 1 279 ? 54.737 21.352 8.020 1.00 7.21 ? 280 GLU A C 1 ATOM 2663 O O . GLU A 1 279 ? 54.507 21.508 6.817 1.00 7.09 ? 280 GLU A O 1 ATOM 2664 C CB . GLU A 1 279 ? 56.260 19.545 8.821 1.00 8.15 ? 280 GLU A CB 1 ATOM 2665 C CG . GLU A 1 279 ? 57.678 19.034 9.016 1.00 12.24 ? 280 GLU A CG 1 ATOM 2666 C CD . GLU A 1 279 ? 58.402 18.736 7.709 1.00 17.06 ? 280 GLU A CD 1 ATOM 2667 O OE1 . GLU A 1 279 ? 57.789 18.785 6.624 1.00 17.23 ? 280 GLU A OE1 1 ATOM 2668 O OE2 . GLU A 1 279 ? 59.605 18.428 7.772 1.00 20.87 ? 280 GLU A OE2 1 ATOM 2669 H H . GLU A 1 279 ? 56.720 21.345 10.525 1.00 5.59 ? 280 GLU A H 1 ATOM 2670 N N . VAL A 1 280 ? 53.783 21.424 8.943 1.00 6.77 ? 281 VAL A N 1 ATOM 2671 C CA . VAL A 1 280 ? 52.397 21.701 8.563 1.00 6.34 ? 281 VAL A CA 1 ATOM 2672 C C . VAL A 1 280 ? 52.227 23.132 8.069 1.00 6.58 ? 281 VAL A C 1 ATOM 2673 O O . VAL A 1 280 ? 51.725 23.354 6.972 1.00 6.92 ? 281 VAL A O 1 ATOM 2674 C CB . VAL A 1 280 ? 51.411 21.399 9.725 1.00 7.49 ? 281 VAL A CB 1 ATOM 2675 C CG1 . VAL A 1 280 ? 49.993 21.849 9.354 1.00 5.87 ? 281 VAL A CG1 1 ATOM 2676 C CG2 . VAL A 1 280 ? 51.430 19.903 10.046 1.00 6.80 ? 281 VAL A CG2 1 ATOM 2677 H H . VAL A 1 280 ? 54.011 21.280 9.884 1.00 6.77 ? 281 VAL A H 1 ATOM 2678 N N . VAL A 1 281 ? 52.684 24.103 8.849 1.00 5.98 ? 282 VAL A N 1 ATOM 2679 C CA . VAL A 1 281 ? 52.551 25.501 8.445 1.00 7.11 ? 282 VAL A CA 1 ATOM 2680 C C . VAL A 1 281 ? 53.249 25.789 7.106 1.00 8.41 ? 282 VAL A C 1 ATOM 2681 O O . VAL A 1 281 ? 52.694 26.473 6.247 1.00 7.61 ? 282 VAL A O 1 ATOM 2682 C CB . VAL A 1 281 ? 53.069 26.460 9.545 1.00 7.83 ? 282 VAL A CB 1 ATOM 2683 C CG1 . VAL A 1 281 ? 53.105 27.895 9.027 1.00 9.23 ? 282 VAL A CG1 1 ATOM 2684 C CG2 . VAL A 1 281 ? 52.171 26.368 10.787 1.00 7.75 ? 282 VAL A CG2 1 ATOM 2685 H H . VAL A 1 281 ? 53.116 23.879 9.697 1.00 5.98 ? 282 VAL A H 1 ATOM 2686 N N . ASP A 1 282 ? 54.441 25.228 6.916 1.00 8.59 ? 283 ASP A N 1 ATOM 2687 C CA . ASP A 1 282 ? 55.191 25.439 5.678 1.00 8.73 ? 283 ASP A CA 1 ATOM 2688 C C . ASP A 1 282 ? 54.451 24.931 4.436 1.00 9.09 ? 283 ASP A C 1 ATOM 2689 O O . ASP A 1 282 ? 54.639 25.471 3.340 1.00 9.15 ? 283 ASP A O 1 ATOM 2690 C CB . ASP A 1 282 ? 56.560 24.750 5.748 1.00 8.05 ? 283 ASP A CB 1 ATOM 2691 C CG . ASP A 1 282 ? 57.596 25.544 6.532 1.00 8.81 ? 283 ASP A CG 1 ATOM 2692 O OD1 . ASP A 1 282 ? 57.306 26.636 7.061 1.00 8.51 ? 283 ASP A OD1 1 ATOM 2693 O OD2 . ASP A 1 282 ? 58.736 25.058 6.618 1.00 10.49 ? 283 ASP A OD2 1 ATOM 2694 H H . ASP A 1 282 ? 54.831 24.664 7.614 1.00 8.59 ? 283 ASP A H 1 ATOM 2695 N N . SER A 1 283 ? 53.614 23.903 4.601 1.00 8.76 ? 284 SER A N 1 ATOM 2696 C CA . SER A 1 283 ? 52.872 23.330 3.476 1.00 9.17 ? 284 SER A CA 1 ATOM 2697 C C . SER A 1 283 ? 51.859 24.302 2.849 1.00 9.80 ? 284 SER A C 1 ATOM 2698 O O . SER A 1 283 ? 51.417 24.098 1.717 1.00 11.42 ? 284 SER A O 1 ATOM 2699 C CB . SER A 1 283 ? 52.206 21.999 3.867 1.00 10.30 ? 284 SER A CB 1 ATOM 2700 O OG . SER A 1 283 ? 50.984 22.193 4.562 1.00 12.57 ? 284 SER A OG 1 ATOM 2701 H H . SER A 1 283 ? 53.491 23.506 5.491 1.00 8.76 ? 284 SER A H 1 ATOM 2702 H HG . SER A 1 283 ? 51.144 22.569 5.432 1.00 12.57 ? 284 SER A HG 1 ATOM 2703 N N . PHE A 1 284 ? 51.546 25.388 3.547 1.00 8.87 ? 285 PHE A N 1 ATOM 2704 C CA . PHE A 1 284 ? 50.604 26.373 3.036 1.00 9.76 ? 285 PHE A CA 1 ATOM 2705 C C . PHE A 1 284 ? 51.276 27.625 2.485 1.00 11.00 ? 285 PHE A C 1 ATOM 2706 O O . PHE A 1 284 ? 50.607 28.493 1.921 1.00 10.74 ? 285 PHE A O 1 ATOM 2707 C CB . PHE A 1 284 ? 49.621 26.781 4.135 1.00 9.99 ? 285 PHE A CB 1 ATOM 2708 C CG . PHE A 1 284 ? 48.780 25.647 4.625 1.00 8.91 ? 285 PHE A CG 1 ATOM 2709 C CD1 . PHE A 1 284 ? 47.724 25.171 3.851 1.00 8.06 ? 285 PHE A CD1 1 ATOM 2710 C CD2 . PHE A 1 284 ? 49.082 25.011 5.831 1.00 9.71 ? 285 PHE A CD2 1 ATOM 2711 C CE1 . PHE A 1 284 ? 46.980 24.071 4.265 1.00 9.03 ? 285 PHE A CE1 1 ATOM 2712 C CE2 . PHE A 1 284 ? 48.344 23.904 6.262 1.00 8.03 ? 285 PHE A CE2 1 ATOM 2713 C CZ . PHE A 1 284 ? 47.291 23.429 5.480 1.00 8.48 ? 285 PHE A CZ 1 ATOM 2714 H H . PHE A 1 284 ? 51.929 25.531 4.439 1.00 8.87 ? 285 PHE A H 1 ATOM 2715 N N . ARG A 1 285 ? 52.596 27.710 2.625 1.00 12.10 ? 286 ARG A N 1 ATOM 2716 C CA . ARG A 1 285 ? 53.325 28.891 2.173 1.00 12.51 ? 286 ARG A CA 1 ATOM 2717 C C . ARG A 1 285 ? 53.284 29.179 0.684 1.00 13.30 ? 286 ARG A C 1 ATOM 2718 O O . ARG A 1 285 ? 53.145 30.327 0.288 1.00 14.54 ? 286 ARG A O 1 ATOM 2719 C CB . ARG A 1 285 ? 54.776 28.846 2.649 1.00 11.26 ? 286 ARG A CB 1 ATOM 2720 C CG . ARG A 1 285 ? 54.894 28.924 4.153 1.00 11.49 ? 286 ARG A CG 1 ATOM 2721 C CD . ARG A 1 285 ? 56.339 28.997 4.619 1.00 9.79 ? 286 ARG A CD 1 ATOM 2722 N NE . ARG A 1 285 ? 56.378 29.148 6.069 1.00 10.14 ? 286 ARG A NE 1 ATOM 2723 C CZ . ARG A 1 285 ? 56.350 30.314 6.700 1.00 9.43 ? 286 ARG A CZ 1 ATOM 2724 N NH1 . ARG A 1 285 ? 56.306 31.446 6.010 1.00 10.58 ? 286 ARG A NH1 1 ATOM 2725 N NH2 . ARG A 1 285 ? 56.298 30.344 8.024 1.00 10.47 ? 286 ARG A NH2 1 ATOM 2726 H H . ARG A 1 285 ? 53.084 26.964 3.032 1.00 12.10 ? 286 ARG A H 1 ATOM 2727 H HE . ARG A 1 285 ? 56.420 28.334 6.604 1.00 10.14 ? 286 ARG A HE 1 ATOM 2728 H HH11 . ARG A 1 285 ? 56.297 31.447 5.005 1.00 10.58 ? 286 ARG A HH11 1 ATOM 2729 H HH12 . ARG A 1 285 ? 56.290 32.338 6.469 1.00 10.58 ? 286 ARG A HH12 1 ATOM 2730 H HH21 . ARG A 1 285 ? 56.296 29.498 8.567 1.00 10.47 ? 286 ARG A HH21 1 ATOM 2731 H HH22 . ARG A 1 285 ? 56.269 31.235 8.487 1.00 10.47 ? 286 ARG A HH22 1 ATOM 2732 N N . SER A 1 286 ? 53.352 28.150 -0.142 1.00 14.11 ? 287 SER A N 1 ATOM 2733 C CA . SER A 1 286 ? 53.355 28.389 -1.577 1.00 18.16 ? 287 SER A CA 1 ATOM 2734 C C . SER A 1 286 ? 52.040 28.134 -2.312 1.00 19.26 ? 287 SER A C 1 ATOM 2735 O O . SER A 1 286 ? 51.971 28.355 -3.524 1.00 20.41 ? 287 SER A O 1 ATOM 2736 C CB . SER A 1 286 ? 54.457 27.561 -2.230 1.00 19.16 ? 287 SER A CB 1 ATOM 2737 O OG . SER A 1 286 ? 54.169 26.175 -2.124 1.00 24.73 ? 287 SER A OG 1 ATOM 2738 H H . SER A 1 286 ? 53.427 27.233 0.195 1.00 14.11 ? 287 SER A H 1 ATOM 2739 H HG . SER A 1 286 ? 54.386 25.872 -1.226 1.00 24.73 ? 287 SER A HG 1 ATOM 2740 N N . ILE A 1 287 ? 50.999 27.683 -1.608 1.00 17.19 ? 288 ILE A N 1 ATOM 2741 C CA . ILE A 1 287 ? 49.734 27.382 -2.282 1.00 16.42 ? 288 ILE A CA 1 ATOM 2742 C C . ILE A 1 287 ? 48.640 28.438 -2.225 1.00 15.68 ? 288 ILE A C 1 ATOM 2743 O O . ILE A 1 287 ? 47.626 28.318 -2.916 1.00 16.36 ? 288 ILE A O 1 ATOM 2744 C CB . ILE A 1 287 ? 49.155 26.003 -1.860 1.00 16.84 ? 288 ILE A CB 1 ATOM 2745 C CG1 . ILE A 1 287 ? 48.803 25.981 -0.368 1.00 16.42 ? 288 ILE A CG1 1 ATOM 2746 C CG2 . ILE A 1 287 ? 50.146 24.895 -2.193 1.00 16.73 ? 288 ILE A CG2 1 ATOM 2747 C CD1 . ILE A 1 287 ? 48.160 24.659 0.083 1.00 14.13 ? 288 ILE A CD1 1 ATOM 2748 H H . ILE A 1 287 ? 51.077 27.573 -0.640 1.00 17.19 ? 288 ILE A H 1 ATOM 2749 N N . TYR A 1 288 ? 48.819 29.452 -1.388 1.00 13.60 ? 289 TYR A N 1 ATOM 2750 C CA . TYR A 1 288 ? 47.835 30.523 -1.281 1.00 13.57 ? 289 TYR A CA 1 ATOM 2751 C C . TYR A 1 288 ? 48.489 31.817 -1.710 1.00 14.98 ? 289 TYR A C 1 ATOM 2752 O O . TYR A 1 288 ? 49.514 32.215 -1.159 1.00 14.80 ? 289 TYR A O 1 ATOM 2753 C CB . TYR A 1 288 ? 47.360 30.724 0.156 1.00 11.98 ? 289 TYR A CB 1 ATOM 2754 C CG . TYR A 1 288 ? 46.698 29.538 0.805 1.00 10.11 ? 289 TYR A CG 1 ATOM 2755 C CD1 . TYR A 1 288 ? 45.985 28.599 0.056 1.00 10.64 ? 289 TYR A CD1 1 ATOM 2756 C CD2 . TYR A 1 288 ? 46.748 29.381 2.187 1.00 10.68 ? 289 TYR A CD2 1 ATOM 2757 C CE1 . TYR A 1 288 ? 45.333 27.534 0.675 1.00 11.02 ? 289 TYR A CE1 1 ATOM 2758 C CE2 . TYR A 1 288 ? 46.105 28.330 2.814 1.00 10.34 ? 289 TYR A CE2 1 ATOM 2759 C CZ . TYR A 1 288 ? 45.400 27.410 2.060 1.00 10.59 ? 289 TYR A CZ 1 ATOM 2760 O OH . TYR A 1 288 ? 44.752 26.378 2.707 1.00 10.73 ? 289 TYR A OH 1 ATOM 2761 H H . TYR A 1 288 ? 49.631 29.524 -0.840 1.00 13.60 ? 289 TYR A H 1 ATOM 2762 H HH . TYR A 1 288 ? 44.365 25.826 2.026 1.00 10.73 ? 289 TYR A HH 1 ATOM 2763 N N . THR A 1 289 ? 47.863 32.494 -2.655 1.00 15.15 ? 290 THR A N 1 ATOM 2764 C CA . THR A 1 289 ? 48.339 33.771 -3.155 1.00 16.88 ? 290 THR A CA 1 ATOM 2765 C C . THR A 1 289 ? 48.413 34.775 -2.009 1.00 16.23 ? 290 THR A C 1 ATOM 2766 O O . THR A 1 289 ? 49.246 35.683 -2.002 1.00 16.05 ? 290 THR A O 1 ATOM 2767 C CB . THR A 1 289 ? 47.385 34.259 -4.264 1.00 18.94 ? 290 THR A CB 1 ATOM 2768 O OG1 . THR A 1 289 ? 47.703 33.559 -5.470 1.00 24.06 ? 290 THR A OG1 1 ATOM 2769 C CG2 . THR A 1 289 ? 47.479 35.760 -4.479 1.00 22.94 ? 290 THR A CG2 1 ATOM 2770 H H . THR A 1 289 ? 47.042 32.125 -3.049 1.00 15.15 ? 290 THR A H 1 ATOM 2771 H HG1 . THR A 1 289 ? 48.626 33.787 -5.654 1.00 24.06 ? 290 THR A HG1 1 ATOM 2772 N N . LEU A 1 290 ? 47.552 34.577 -1.018 1.00 15.81 ? 291 LEU A N 1 ATOM 2773 C CA . LEU A 1 290 ? 47.501 35.430 0.158 1.00 16.28 ? 291 LEU A CA 1 ATOM 2774 C C . LEU A 1 290 ? 48.843 35.409 0.906 1.00 14.81 ? 291 LEU A C 1 ATOM 2775 O O . LEU A 1 290 ? 49.196 36.369 1.582 1.00 16.50 ? 291 LEU A O 1 ATOM 2776 C CB . LEU A 1 290 ? 46.392 34.921 1.074 1.00 16.82 ? 291 LEU A CB 1 ATOM 2777 C CG . LEU A 1 290 ? 45.675 35.906 1.974 1.00 20.21 ? 291 LEU A CG 1 ATOM 2778 C CD1 . LEU A 1 290 ? 45.034 36.997 1.147 1.00 19.45 ? 291 LEU A CD1 1 ATOM 2779 C CD2 . LEU A 1 290 ? 44.610 35.151 2.756 1.00 20.14 ? 291 LEU A CD2 1 ATOM 2780 H H . LEU A 1 290 ? 46.892 33.846 -1.089 1.00 15.81 ? 291 LEU A H 1 ATOM 2781 N N . ASN A 1 291 ? 49.596 34.323 0.763 1.00 14.64 ? 292 ASN A N 1 ATOM 2782 C CA . ASN A 1 291 ? 50.883 34.182 1.446 1.00 14.39 ? 292 ASN A CA 1 ATOM 2783 C C . ASN A 1 291 ? 52.114 34.616 0.639 1.00 17.48 ? 292 ASN A C 1 ATOM 2784 O O . ASN A 1 291 ? 53.243 34.515 1.125 1.00 16.70 ? 292 ASN A O 1 ATOM 2785 C CB . ASN A 1 291 ? 51.071 32.736 1.917 1.00 12.20 ? 292 ASN A CB 1 ATOM 2786 C CG . ASN A 1 291 ? 50.092 32.347 3.001 1.00 10.38 ? 292 ASN A CG 1 ATOM 2787 O OD1 . ASN A 1 291 ? 49.556 33.213 3.708 1.00 9.70 ? 292 ASN A OD1 1 ATOM 2788 N ND2 . ASN A 1 291 ? 49.845 31.052 3.142 1.00 9.85 ? 292 ASN A ND2 1 ATOM 2789 H H . ASN A 1 291 ? 49.310 33.597 0.169 1.00 14.64 ? 292 ASN A H 1 ATOM 2790 H HD21 . ASN A 1 291 ? 49.219 30.761 3.842 1.00 9.85 ? 292 ASN A HD21 1 ATOM 2791 H HD22 . ASN A 1 291 ? 50.290 30.414 2.542 1.00 9.85 ? 292 ASN A HD22 1 ATOM 2792 N N . ASP A 1 292 ? 51.903 35.102 -0.579 1.00 19.03 ? 293 ASP A N 1 ATOM 2793 C CA . ASP A 1 292 ? 53.008 35.539 -1.438 1.00 21.87 ? 293 ASP A CA 1 ATOM 2794 C C . ASP A 1 292 ? 53.905 36.579 -0.783 1.00 21.02 ? 293 ASP A C 1 ATOM 2795 O O . ASP A 1 292 ? 53.425 37.512 -0.149 1.00 22.07 ? 293 ASP A O 1 ATOM 2796 C CB . ASP A 1 292 ? 52.472 36.155 -2.739 1.00 25.11 ? 293 ASP A CB 1 ATOM 2797 C CG . ASP A 1 292 ? 52.006 35.120 -3.748 1.00 29.16 ? 293 ASP A CG 1 ATOM 2798 O OD1 . ASP A 1 292 ? 52.266 33.907 -3.563 1.00 31.16 ? 293 ASP A OD1 1 ATOM 2799 O OD2 . ASP A 1 292 ? 51.379 35.535 -4.751 1.00 32.05 ? 293 ASP A OD2 1 ATOM 2800 H H . ASP A 1 292 ? 50.993 35.187 -0.932 1.00 19.03 ? 293 ASP A H 1 ATOM 2801 N N . GLY A 1 293 ? 55.212 36.414 -0.947 1.00 22.23 ? 294 GLY A N 1 ATOM 2802 C CA . GLY A 1 293 ? 56.160 37.376 -0.410 1.00 22.86 ? 294 GLY A CA 1 ATOM 2803 C C . GLY A 1 293 ? 56.519 37.318 1.063 1.00 24.29 ? 294 GLY A C 1 ATOM 2804 O O . GLY A 1 293 ? 57.317 38.137 1.536 1.00 25.48 ? 294 GLY A O 1 ATOM 2805 H H . GLY A 1 293 ? 55.505 35.620 -1.439 1.00 22.23 ? 294 GLY A H 1 ATOM 2806 N N . LEU A 1 294 ? 55.948 36.372 1.801 1.00 22.48 ? 295 LEU A N 1 ATOM 2807 C CA . LEU A 1 294 ? 56.255 36.258 3.219 1.00 20.80 ? 295 LEU A CA 1 ATOM 2808 C C . LEU A 1 294 ? 57.455 35.335 3.381 1.00 20.96 ? 295 LEU A C 1 ATOM 2809 O O . LEU A 1 294 ? 57.620 34.382 2.612 1.00 21.10 ? 295 LEU A O 1 ATOM 2810 C CB . LEU A 1 294 ? 55.041 35.726 3.984 1.00 20.41 ? 295 LEU A CB 1 ATOM 2811 C CG . LEU A 1 294 ? 53.827 36.659 3.943 1.00 20.78 ? 295 LEU A CG 1 ATOM 2812 C CD1 . LEU A 1 294 ? 52.637 36.013 4.616 1.00 19.95 ? 295 LEU A CD1 1 ATOM 2813 C CD2 . LEU A 1 294 ? 54.164 37.981 4.610 1.00 20.51 ? 295 LEU A CD2 1 ATOM 2814 H H . LEU A 1 294 ? 55.321 35.732 1.400 1.00 22.48 ? 295 LEU A H 1 ATOM 2815 N N . SER A 1 295 ? 58.322 35.648 4.337 1.00 19.77 ? 296 SER A N 1 ATOM 2816 C CA . SER A 1 295 ? 59.502 34.834 4.589 1.00 21.09 ? 296 SER A CA 1 ATOM 2817 C C . SER A 1 295 ? 59.171 33.706 5.559 1.00 21.20 ? 296 SER A C 1 ATOM 2818 O O . SER A 1 295 ? 58.112 33.712 6.193 1.00 20.14 ? 296 SER A O 1 ATOM 2819 C CB . SER A 1 295 ? 60.612 35.694 5.188 1.00 20.66 ? 296 SER A CB 1 ATOM 2820 O OG . SER A 1 295 ? 60.246 36.134 6.482 1.00 22.06 ? 296 SER A OG 1 ATOM 2821 H H . SER A 1 295 ? 58.168 36.417 4.892 1.00 19.77 ? 296 SER A H 1 ATOM 2822 H HG . SER A 1 295 ? 59.553 36.811 6.380 1.00 22.06 ? 296 SER A HG 1 ATOM 2823 N N . ASP A 1 296 ? 60.113 32.780 5.714 1.00 21.62 ? 297 ASP A N 1 ATOM 2824 C CA . ASP A 1 296 ? 59.958 31.642 6.610 1.00 23.44 ? 297 ASP A CA 1 ATOM 2825 C C . ASP A 1 296 ? 59.885 32.001 8.083 1.00 21.77 ? 297 ASP A C 1 ATOM 2826 O O . ASP A 1 296 ? 59.563 31.154 8.910 1.00 22.91 ? 297 ASP A O 1 ATOM 2827 C CB . ASP A 1 296 ? 61.078 30.629 6.396 1.00 29.05 ? 297 ASP A CB 1 ATOM 2828 C CG . ASP A 1 296 ? 60.821 29.727 5.213 1.00 34.87 ? 297 ASP A CG 1 ATOM 2829 O OD1 . ASP A 1 296 ? 59.735 29.110 5.152 1.00 37.80 ? 297 ASP A OD1 1 ATOM 2830 O OD2 . ASP A 1 296 ? 61.708 29.632 4.337 1.00 39.98 ? 297 ASP A OD2 1 ATOM 2831 H H . ASP A 1 296 ? 60.935 32.871 5.194 1.00 21.62 ? 297 ASP A H 1 ATOM 2832 N N . SER A 1 297 ? 60.201 33.237 8.432 1.00 19.18 ? 298 SER A N 1 ATOM 2833 C CA . SER A 1 297 ? 60.128 33.625 9.826 1.00 18.51 ? 298 SER A CA 1 ATOM 2834 C C . SER A 1 297 ? 58.839 34.387 10.093 1.00 18.07 ? 298 SER A C 1 ATOM 2835 O O . SER A 1 297 ? 58.643 34.909 11.188 1.00 18.70 ? 298 SER A O 1 ATOM 2836 C CB . SER A 1 297 ? 61.333 34.482 10.201 1.00 19.76 ? 298 SER A CB 1 ATOM 2837 O OG . SER A 1 297 ? 61.435 35.592 9.331 1.00 22.88 ? 298 SER A OG 1 ATOM 2838 H H . SER A 1 297 ? 60.501 33.914 7.789 1.00 19.18 ? 298 SER A H 1 ATOM 2839 H HG . SER A 1 297 ? 61.179 36.374 9.840 1.00 22.88 ? 298 SER A HG 1 ATOM 2840 N N . GLU A 1 298 ? 57.978 34.485 9.085 1.00 15.42 ? 299 GLU A N 1 ATOM 2841 C CA . GLU A 1 298 ? 56.718 35.199 9.240 1.00 12.90 ? 299 GLU A CA 1 ATOM 2842 C C . GLU A 1 298 ? 55.519 34.258 9.214 1.00 10.09 ? 299 GLU A C 1 ATOM 2843 O O . GLU A 1 298 ? 55.544 33.211 8.558 1.00 9.48 ? 299 GLU A O 1 ATOM 2844 C CB . GLU A 1 298 ? 56.566 36.231 8.136 1.00 14.07 ? 299 GLU A CB 1 ATOM 2845 C CG . GLU A 1 298 ? 57.665 37.262 8.143 1.00 18.08 ? 299 GLU A CG 1 ATOM 2846 C CD . GLU A 1 298 ? 57.504 38.273 7.039 1.00 21.07 ? 299 GLU A CD 1 ATOM 2847 O OE1 . GLU A 1 298 ? 57.862 37.964 5.883 1.00 23.18 ? 299 GLU A OE1 1 ATOM 2848 O OE2 . GLU A 1 298 ? 57.008 39.380 7.325 1.00 26.60 ? 299 GLU A OE2 1 ATOM 2849 H H . GLU A 1 298 ? 58.156 34.074 8.212 1.00 15.42 ? 299 GLU A H 1 ATOM 2850 N N . ALA A 1 299 ? 54.482 34.630 9.954 1.00 9.50 ? 300 ALA A N 1 ATOM 2851 C CA . ALA A 1 299 ? 53.252 33.847 10.010 1.00 9.13 ? 300 ALA A CA 1 ATOM 2852 C C . ALA A 1 299 ? 52.540 33.921 8.658 1.00 10.18 ? 300 ALA A C 1 ATOM 2853 O O . ALA A 1 299 ? 52.680 34.908 7.922 1.00 8.92 ? 300 ALA A O 1 ATOM 2854 C CB . ALA A 1 299 ? 52.361 34.384 11.094 1.00 10.51 ? 300 ALA A CB 1 ATOM 2855 H H . ALA A 1 299 ? 54.538 35.470 10.465 1.00 9.50 ? 300 ALA A H 1 ATOM 2856 N N . VAL A 1 300 ? 51.769 32.881 8.341 1.00 9.65 ? 301 VAL A N 1 ATOM 2857 C CA . VAL A 1 300 ? 51.030 32.804 7.082 1.00 9.52 ? 301 VAL A CA 1 ATOM 2858 C C . VAL A 1 300 ? 49.604 32.289 7.346 1.00 8.93 ? 301 VAL A C 1 ATOM 2859 O O . VAL A 1 300 ? 49.310 31.807 8.445 1.00 7.76 ? 301 VAL A O 1 ATOM 2860 C CB . VAL A 1 300 ? 51.737 31.841 6.061 1.00 9.85 ? 301 VAL A CB 1 ATOM 2861 C CG1 . VAL A 1 300 ? 53.103 32.406 5.625 1.00 9.03 ? 301 VAL A CG1 1 ATOM 2862 C CG2 . VAL A 1 300 ? 51.904 30.440 6.665 1.00 11.74 ? 301 VAL A CG2 1 ATOM 2863 H H . VAL A 1 300 ? 51.644 32.145 8.972 1.00 9.65 ? 301 VAL A H 1 ATOM 2864 N N . ALA A 1 301 ? 48.717 32.436 6.364 1.00 7.93 ? 302 ALA A N 1 ATOM 2865 C CA . ALA A 1 301 ? 47.345 31.935 6.496 1.00 8.00 ? 302 ALA A CA 1 ATOM 2866 C C . ALA A 1 301 ? 47.425 30.420 6.399 1.00 8.07 ? 302 ALA A C 1 ATOM 2867 O O . ALA A 1 301 ? 48.053 29.883 5.489 1.00 8.75 ? 302 ALA A O 1 ATOM 2868 C CB . ALA A 1 301 ? 46.463 32.492 5.398 1.00 7.92 ? 302 ALA A CB 1 ATOM 2869 H H . ALA A 1 301 ? 48.986 32.865 5.526 1.00 7.93 ? 302 ALA A H 1 ATOM 2870 N N . VAL A 1 302 ? 46.778 29.732 7.334 1.00 7.24 ? 303 VAL A N 1 ATOM 2871 C CA . VAL A 1 302 ? 46.819 28.275 7.401 1.00 6.61 ? 303 VAL A CA 1 ATOM 2872 C C . VAL A 1 302 ? 45.454 27.630 7.128 1.00 6.16 ? 303 VAL A C 1 ATOM 2873 O O . VAL A 1 302 ? 44.432 28.092 7.648 1.00 6.69 ? 303 VAL A O 1 ATOM 2874 C CB . VAL A 1 302 ? 47.313 27.837 8.820 1.00 8.88 ? 303 VAL A CB 1 ATOM 2875 C CG1 . VAL A 1 302 ? 47.415 26.321 8.926 1.00 9.63 ? 303 VAL A CG1 1 ATOM 2876 C CG2 . VAL A 1 302 ? 48.680 28.476 9.119 1.00 9.33 ? 303 VAL A CG2 1 ATOM 2877 H H . VAL A 1 302 ? 46.245 30.210 8.014 1.00 7.24 ? 303 VAL A H 1 ATOM 2878 N N . GLY A 1 303 ? 45.462 26.554 6.336 1.00 5.49 ? 304 GLY A N 1 ATOM 2879 C CA . GLY A 1 303 ? 44.239 25.828 6.024 1.00 5.32 ? 304 GLY A CA 1 ATOM 2880 C C . GLY A 1 303 ? 44.200 24.485 6.737 1.00 6.71 ? 304 GLY A C 1 ATOM 2881 O O . GLY A 1 303 ? 44.832 24.320 7.784 1.00 5.65 ? 304 GLY A O 1 ATOM 2882 H H . GLY A 1 303 ? 46.302 26.226 5.961 1.00 5.49 ? 304 GLY A H 1 ATOM 2883 N N . ARG A 1 304 ? 43.459 23.521 6.189 1.00 6.19 ? 305 ARG A N 1 ATOM 2884 C CA . ARG A 1 304 ? 43.356 22.192 6.794 1.00 5.27 ? 305 ARG A CA 1 ATOM 2885 C C . ARG A 1 304 ? 44.512 21.278 6.384 1.00 6.35 ? 305 ARG A C 1 ATOM 2886 O O . ARG A 1 304 ? 45.270 20.824 7.226 1.00 6.56 ? 305 ARG A O 1 ATOM 2887 C CB . ARG A 1 304 ? 42.007 21.550 6.445 1.00 4.69 ? 305 ARG A CB 1 ATOM 2888 C CG . ARG A 1 304 ? 40.819 22.402 6.893 1.00 4.67 ? 305 ARG A CG 1 ATOM 2889 C CD . ARG A 1 304 ? 39.512 21.632 6.790 1.00 4.93 ? 305 ARG A CD 1 ATOM 2890 N NE . ARG A 1 304 ? 39.199 21.241 5.414 1.00 4.82 ? 305 ARG A NE 1 ATOM 2891 C CZ . ARG A 1 304 ? 38.140 20.514 5.069 1.00 7.08 ? 305 ARG A CZ 1 ATOM 2892 N NH1 . ARG A 1 304 ? 37.280 20.107 6.000 1.00 5.32 ? 305 ARG A NH1 1 ATOM 2893 N NH2 . ARG A 1 304 ? 37.974 20.142 3.803 1.00 4.87 ? 305 ARG A NH2 1 ATOM 2894 H H . ARG A 1 304 ? 42.980 23.708 5.355 1.00 6.19 ? 305 ARG A H 1 ATOM 2895 H HE . ARG A 1 304 ? 39.812 21.542 4.720 1.00 4.82 ? 305 ARG A HE 1 ATOM 2896 H HH11 . ARG A 1 304 ? 37.388 20.344 6.967 1.00 5.32 ? 305 ARG A HH11 1 ATOM 2897 H HH12 . ARG A 1 304 ? 36.466 19.569 5.754 1.00 5.32 ? 305 ARG A HH12 1 ATOM 2898 H HH21 . ARG A 1 304 ? 38.651 20.407 3.112 1.00 4.87 ? 305 ARG A HH21 1 ATOM 2899 H HH22 . ARG A 1 304 ? 37.198 19.568 3.531 1.00 4.87 ? 305 ARG A HH22 1 ATOM 2900 N N . TYR A 1 305 ? 44.632 20.994 5.092 1.00 6.32 ? 306 TYR A N 1 ATOM 2901 C CA . TYR A 1 305 ? 45.710 20.157 4.561 1.00 6.17 ? 306 TYR A CA 1 ATOM 2902 C C . TYR A 1 305 ? 45.983 20.705 3.152 1.00 8.31 ? 306 TYR A C 1 ATOM 2903 O O . TYR A 1 305 ? 45.079 21.250 2.507 1.00 7.75 ? 306 TYR A O 1 ATOM 2904 C CB . TYR A 1 305 ? 45.345 18.652 4.570 1.00 5.02 ? 306 TYR A CB 1 ATOM 2905 C CG . TYR A 1 305 ? 43.980 18.329 4.005 1.00 6.89 ? 306 TYR A CG 1 ATOM 2906 C CD1 . TYR A 1 305 ? 42.828 18.462 4.792 1.00 6.54 ? 306 TYR A CD1 1 ATOM 2907 C CD2 . TYR A 1 305 ? 43.833 17.918 2.686 1.00 7.24 ? 306 TYR A CD2 1 ATOM 2908 C CE1 . TYR A 1 305 ? 41.563 18.197 4.273 1.00 7.61 ? 306 TYR A CE1 1 ATOM 2909 C CE2 . TYR A 1 305 ? 42.569 17.648 2.153 1.00 7.04 ? 306 TYR A CE2 1 ATOM 2910 C CZ . TYR A 1 305 ? 41.443 17.794 2.950 1.00 8.61 ? 306 TYR A CZ 1 ATOM 2911 O OH . TYR A 1 305 ? 40.206 17.563 2.413 1.00 7.51 ? 306 TYR A OH 1 ATOM 2912 H H . TYR A 1 305 ? 43.997 21.380 4.452 1.00 6.32 ? 306 TYR A H 1 ATOM 2913 H HH . TYR A 1 305 ? 39.527 17.717 3.081 1.00 7.51 ? 306 TYR A HH 1 ATOM 2914 N N . PRO A 1 306 ? 47.236 20.614 2.673 1.00 7.57 ? 307 PRO A N 1 ATOM 2915 C CA . PRO A 1 306 ? 47.558 21.139 1.347 1.00 8.37 ? 307 PRO A CA 1 ATOM 2916 C C . PRO A 1 306 ? 46.776 20.584 0.155 1.00 8.12 ? 307 PRO A C 1 ATOM 2917 O O . PRO A 1 306 ? 46.615 21.284 -0.843 1.00 9.79 ? 307 PRO A O 1 ATOM 2918 C CB . PRO A 1 306 ? 49.084 20.920 1.248 1.00 7.95 ? 307 PRO A CB 1 ATOM 2919 C CG . PRO A 1 306 ? 49.329 19.735 2.132 1.00 7.83 ? 307 PRO A CG 1 ATOM 2920 C CD . PRO A 1 306 ? 48.433 20.035 3.313 1.00 9.27 ? 307 PRO A CD 1 ATOM 2921 N N . GLU A 1 307 ? 46.259 19.365 0.269 1.00 7.84 ? 308 GLU A N 1 ATOM 2922 C CA . GLU A 1 307 ? 45.484 18.741 -0.809 1.00 7.78 ? 308 GLU A CA 1 ATOM 2923 C C . GLU A 1 307 ? 43.998 19.114 -0.803 1.00 9.05 ? 308 GLU A C 1 ATOM 2924 O O . GLU A 1 307 ? 43.250 18.673 -1.666 1.00 10.88 ? 308 GLU A O 1 ATOM 2925 C CB . GLU A 1 307 ? 45.582 17.213 -0.737 1.00 9.00 ? 308 GLU A CB 1 ATOM 2926 C CG . GLU A 1 307 ? 47.004 16.642 -0.745 1.00 8.27 ? 308 GLU A CG 1 ATOM 2927 C CD . GLU A 1 307 ? 47.647 16.576 0.635 1.00 9.50 ? 308 GLU A CD 1 ATOM 2928 O OE1 . GLU A 1 307 ? 47.034 16.980 1.641 1.00 9.07 ? 308 GLU A OE1 1 ATOM 2929 O OE2 . GLU A 1 307 ? 48.794 16.103 0.715 1.00 9.91 ? 308 GLU A OE2 1 ATOM 2930 H H . GLU A 1 307 ? 46.424 18.847 1.088 1.00 7.84 ? 308 GLU A H 1 ATOM 2931 N N . ASP A 1 308 ? 43.581 19.935 0.148 1.00 7.86 ? 309 ASP A N 1 ATOM 2932 C CA . ASP A 1 308 ? 42.178 20.325 0.306 1.00 7.56 ? 309 ASP A CA 1 ATOM 2933 C C . ASP A 1 308 ? 41.564 21.003 -0.924 1.00 8.07 ? 309 ASP A C 1 ATOM 2934 O O . ASP A 1 308 ? 42.168 21.898 -1.520 1.00 7.89 ? 309 ASP A O 1 ATOM 2935 C CB . ASP A 1 308 ? 42.069 21.263 1.529 1.00 6.87 ? 309 ASP A CB 1 ATOM 2936 C CG . ASP A 1 308 ? 40.645 21.425 2.060 1.00 7.52 ? 309 ASP A CG 1 ATOM 2937 O OD1 . ASP A 1 308 ? 39.699 20.783 1.563 1.00 7.39 ? 309 ASP A OD1 1 ATOM 2938 O OD2 . ASP A 1 308 ? 40.477 22.198 3.024 1.00 6.81 ? 309 ASP A OD2 1 ATOM 2939 H H . ASP A 1 308 ? 44.225 20.311 0.778 1.00 7.86 ? 309 ASP A H 1 ATOM 2940 N N . SER A 1 309 ? 40.357 20.580 -1.289 1.00 8.89 ? 310 SER A N 1 ATOM 2941 C CA . SER A 1 309 ? 39.640 21.182 -2.412 1.00 9.01 ? 310 SER A CA 1 ATOM 2942 C C . SER A 1 309 ? 38.234 21.662 -2.018 1.00 9.39 ? 310 SER A C 1 ATOM 2943 O O . SER A 1 309 ? 37.489 22.174 -2.862 1.00 9.04 ? 310 SER A O 1 ATOM 2944 C CB . SER A 1 309 ? 39.568 20.223 -3.605 1.00 10.58 ? 310 SER A CB 1 ATOM 2945 O OG . SER A 1 309 ? 38.935 19.006 -3.250 1.00 13.90 ? 310 SER A OG 1 ATOM 2946 H H . SER A 1 309 ? 39.932 19.826 -0.815 1.00 8.89 ? 310 SER A H 1 ATOM 2947 H HG . SER A 1 309 ? 38.611 18.594 -4.061 1.00 13.90 ? 310 SER A HG 1 ATOM 2948 N N . TYR A 1 310 ? 37.895 21.542 -0.730 1.00 8.81 ? 311 TYR A N 1 ATOM 2949 C CA . TYR A 1 310 ? 36.591 21.979 -0.224 1.00 7.54 ? 311 TYR A CA 1 ATOM 2950 C C . TYR A 1 310 ? 36.517 23.496 -0.409 1.00 8.11 ? 311 TYR A C 1 ATOM 2951 O O . TYR A 1 310 ? 37.332 24.250 0.138 1.00 8.34 ? 311 TYR A O 1 ATOM 2952 C CB . TYR A 1 310 ? 36.440 21.567 1.244 1.00 7.64 ? 311 TYR A CB 1 ATOM 2953 C CG . TYR A 1 310 ? 35.092 21.873 1.854 1.00 7.84 ? 311 TYR A CG 1 ATOM 2954 C CD1 . TYR A 1 310 ? 33.909 21.497 1.210 1.00 8.39 ? 311 TYR A CD1 1 ATOM 2955 C CD2 . TYR A 1 310 ? 34.999 22.527 3.089 1.00 7.30 ? 311 TYR A CD2 1 ATOM 2956 C CE1 . TYR A 1 310 ? 32.659 21.765 1.780 1.00 8.65 ? 311 TYR A CE1 1 ATOM 2957 C CE2 . TYR A 1 310 ? 33.757 22.799 3.670 1.00 7.88 ? 311 TYR A CE2 1 ATOM 2958 C CZ . TYR A 1 310 ? 32.593 22.413 3.008 1.00 8.90 ? 311 TYR A CZ 1 ATOM 2959 O OH . TYR A 1 310 ? 31.367 22.667 3.570 1.00 8.71 ? 311 TYR A OH 1 ATOM 2960 H H . TYR A 1 310 ? 38.532 21.129 -0.114 1.00 8.81 ? 311 TYR A H 1 ATOM 2961 H HH . TYR A 1 310 ? 31.502 23.055 4.454 1.00 8.71 ? 311 TYR A HH 1 ATOM 2962 N N . TYR A 1 311 ? 35.551 23.932 -1.217 1.00 7.46 ? 312 TYR A N 1 ATOM 2963 C CA . TYR A 1 311 ? 35.379 25.339 -1.601 1.00 9.62 ? 312 TYR A CA 1 ATOM 2964 C C . TYR A 1 311 ? 36.663 25.844 -2.270 1.00 10.57 ? 312 TYR A C 1 ATOM 2965 O O . TYR A 1 311 ? 36.961 27.043 -2.263 1.00 10.95 ? 312 TYR A O 1 ATOM 2966 C CB . TYR A 1 311 ? 34.954 26.238 -0.434 1.00 10.96 ? 312 TYR A CB 1 ATOM 2967 C CG . TYR A 1 311 ? 33.482 26.135 -0.133 1.00 13.87 ? 312 TYR A CG 1 ATOM 2968 C CD1 . TYR A 1 311 ? 32.550 26.846 -0.880 1.00 17.29 ? 312 TYR A CD1 1 ATOM 2969 C CD2 . TYR A 1 311 ? 33.015 25.291 0.869 1.00 15.60 ? 312 TYR A CD2 1 ATOM 2970 C CE1 . TYR A 1 311 ? 31.187 26.716 -0.640 1.00 17.46 ? 312 TYR A CE1 1 ATOM 2971 C CE2 . TYR A 1 311 ? 31.655 25.152 1.117 1.00 17.35 ? 312 TYR A CE2 1 ATOM 2972 C CZ . TYR A 1 311 ? 30.750 25.866 0.359 1.00 18.63 ? 312 TYR A CZ 1 ATOM 2973 O OH . TYR A 1 311 ? 29.404 25.715 0.595 1.00 19.34 ? 312 TYR A OH 1 ATOM 2974 H H . TYR A 1 311 ? 34.947 23.262 -1.569 1.00 7.46 ? 312 TYR A H 1 ATOM 2975 H HH . TYR A 1 311 ? 29.253 25.033 1.260 1.00 19.34 ? 312 TYR A HH 1 ATOM 2976 N N . ASN A 1 312 ? 37.356 24.894 -2.906 1.00 12.98 ? 313 ASN A N 1 ATOM 2977 C CA . ASN A 1 312 ? 38.621 25.076 -3.628 1.00 15.68 ? 313 ASN A CA 1 ATOM 2978 C C . ASN A 1 312 ? 39.898 25.031 -2.775 1.00 15.01 ? 313 ASN A C 1 ATOM 2979 O O . ASN A 1 312 ? 41.006 25.100 -3.316 1.00 15.24 ? 313 ASN A O 1 ATOM 2980 C CB . ASN A 1 312 ? 38.587 26.312 -4.542 1.00 19.20 ? 313 ASN A CB 1 ATOM 2981 C CG . ASN A 1 312 ? 37.509 26.204 -5.641 1.00 25.82 ? 313 ASN A CG 1 ATOM 2982 O OD1 . ASN A 1 312 ? 37.305 25.139 -6.252 1.00 30.03 ? 313 ASN A OD1 1 ATOM 2983 N ND2 . ASN A 1 312 ? 36.807 27.304 -5.878 1.00 26.93 ? 313 ASN A ND2 1 ATOM 2984 H H . ASN A 1 312 ? 36.973 23.996 -2.927 1.00 12.98 ? 313 ASN A H 1 ATOM 2985 H HD21 . ASN A 1 312 ? 36.136 27.270 -6.597 1.00 26.93 ? 313 ASN A HD21 1 ATOM 2986 H HD22 . ASN A 1 312 ? 37.004 28.098 -5.335 1.00 26.93 ? 313 ASN A HD22 1 ATOM 2987 N N . GLY A 1 313 ? 39.747 24.826 -1.462 1.00 12.76 ? 314 GLY A N 1 ATOM 2988 C CA . GLY A 1 313 ? 40.901 24.747 -0.571 1.00 10.94 ? 314 GLY A CA 1 ATOM 2989 C C . GLY A 1 313 ? 41.351 26.136 -0.159 1.00 10.15 ? 314 GLY A C 1 ATOM 2990 O O . GLY A 1 313 ? 42.033 26.819 -0.915 1.00 11.14 ? 314 GLY A O 1 ATOM 2991 H H . GLY A 1 313 ? 38.848 24.763 -1.084 1.00 12.76 ? 314 GLY A H 1 ATOM 2992 N N . ASN A 1 314 ? 40.987 26.553 1.049 1.00 8.16 ? 315 ASN A N 1 ATOM 2993 C CA . ASN A 1 314 ? 41.319 27.890 1.529 1.00 6.39 ? 315 ASN A CA 1 ATOM 2994 C C . ASN A 1 314 ? 41.761 27.852 2.969 1.00 7.58 ? 315 ASN A C 1 ATOM 2995 O O . ASN A 1 314 ? 41.644 26.824 3.640 1.00 7.21 ? 315 ASN A O 1 ATOM 2996 C CB . ASN A 1 314 ? 40.063 28.760 1.540 1.00 7.00 ? 315 ASN A CB 1 ATOM 2997 C CG . ASN A 1 314 ? 39.444 28.914 0.186 1.00 8.63 ? 315 ASN A CG 1 ATOM 2998 O OD1 . ASN A 1 314 ? 39.930 29.680 -0.632 1.00 9.62 ? 315 ASN A OD1 1 ATOM 2999 N ND2 . ASN A 1 314 ? 38.351 28.195 -0.056 1.00 7.68 ? 315 ASN A ND2 1 ATOM 3000 H H . ASN A 1 314 ? 40.505 25.954 1.664 1.00 8.16 ? 315 ASN A H 1 ATOM 3001 H HD21 . ASN A 1 314 ? 37.921 28.246 -0.937 1.00 7.68 ? 315 ASN A HD21 1 ATOM 3002 H HD22 . ASN A 1 314 ? 38.013 27.635 0.675 1.00 7.68 ? 315 ASN A HD22 1 ATOM 3003 N N . PRO A 1 315 ? 42.333 28.960 3.449 1.00 7.27 ? 316 PRO A N 1 ATOM 3004 C CA . PRO A 1 315 ? 42.736 28.945 4.856 1.00 7.67 ? 316 PRO A CA 1 ATOM 3005 C C . PRO A 1 315 ? 41.448 28.976 5.703 1.00 8.02 ? 316 PRO A C 1 ATOM 3006 O O . PRO A 1 315 ? 40.378 29.401 5.230 1.00 6.86 ? 316 PRO A O 1 ATOM 3007 C CB . PRO A 1 315 ? 43.549 30.240 5.006 1.00 8.85 ? 316 PRO A CB 1 ATOM 3008 C CG . PRO A 1 315 ? 43.180 31.077 3.820 1.00 8.95 ? 316 PRO A CG 1 ATOM 3009 C CD . PRO A 1 315 ? 42.946 30.089 2.725 1.00 8.19 ? 316 PRO A CD 1 ATOM 3010 N N . TRP A 1 316 ? 41.549 28.484 6.930 1.00 7.00 ? 317 TRP A N 1 ATOM 3011 C CA . TRP A 1 316 ? 40.419 28.444 7.856 1.00 6.15 ? 317 TRP A CA 1 ATOM 3012 C C . TRP A 1 316 ? 40.802 29.270 9.069 1.00 6.13 ? 317 TRP A C 1 ATOM 3013 O O . TRP A 1 316 ? 41.954 29.214 9.509 1.00 6.05 ? 317 TRP A O 1 ATOM 3014 C CB . TRP A 1 316 ? 40.165 27.006 8.319 1.00 7.13 ? 317 TRP A CB 1 ATOM 3015 C CG . TRP A 1 316 ? 39.433 26.142 7.326 1.00 5.67 ? 317 TRP A CG 1 ATOM 3016 C CD1 . TRP A 1 316 ? 39.639 26.070 5.972 1.00 6.50 ? 317 TRP A CD1 1 ATOM 3017 C CD2 . TRP A 1 316 ? 38.370 25.228 7.620 1.00 7.83 ? 317 TRP A CD2 1 ATOM 3018 N NE1 . TRP A 1 316 ? 38.766 25.166 5.408 1.00 6.75 ? 317 TRP A NE1 1 ATOM 3019 C CE2 . TRP A 1 316 ? 37.973 24.636 6.394 1.00 7.21 ? 317 TRP A CE2 1 ATOM 3020 C CE3 . TRP A 1 316 ? 37.708 24.851 8.805 1.00 7.62 ? 317 TRP A CE3 1 ATOM 3021 C CZ2 . TRP A 1 316 ? 36.939 23.685 6.317 1.00 6.32 ? 317 TRP A CZ2 1 ATOM 3022 C CZ3 . TRP A 1 316 ? 36.685 23.905 8.731 1.00 7.09 ? 317 TRP A CZ3 1 ATOM 3023 C CH2 . TRP A 1 316 ? 36.312 23.335 7.488 1.00 7.01 ? 317 TRP A CH2 1 ATOM 3024 H H . TRP A 1 316 ? 42.422 28.166 7.241 1.00 7.00 ? 317 TRP A H 1 ATOM 3025 H HE1 . TRP A 1 316 ? 38.739 24.957 4.442 1.00 6.75 ? 317 TRP A HE1 1 ATOM 3026 N N . PHE A 1 317 ? 39.856 30.023 9.618 1.00 4.73 ? 318 PHE A N 1 ATOM 3027 C CA . PHE A 1 317 ? 40.139 30.831 10.801 1.00 5.90 ? 318 PHE A CA 1 ATOM 3028 C C . PHE A 1 317 ? 40.575 29.950 11.984 1.00 6.08 ? 318 PHE A C 1 ATOM 3029 O O . PHE A 1 317 ? 41.578 30.239 12.644 1.00 5.96 ? 318 PHE A O 1 ATOM 3030 C CB . PHE A 1 317 ? 38.915 31.667 11.210 1.00 6.23 ? 318 PHE A CB 1 ATOM 3031 C CG . PHE A 1 317 ? 38.664 32.865 10.325 1.00 8.80 ? 318 PHE A CG 1 ATOM 3032 C CD1 . PHE A 1 317 ? 39.459 34.007 10.434 1.00 9.74 ? 318 PHE A CD1 1 ATOM 3033 C CD2 . PHE A 1 317 ? 37.608 32.873 9.413 1.00 8.26 ? 318 PHE A CD2 1 ATOM 3034 C CE1 . PHE A 1 317 ? 39.205 35.143 9.651 1.00 8.66 ? 318 PHE A CE1 1 ATOM 3035 C CE2 . PHE A 1 317 ? 37.350 34.003 8.626 1.00 8.00 ? 318 PHE A CE2 1 ATOM 3036 C CZ . PHE A 1 317 ? 38.150 35.138 8.752 1.00 9.67 ? 318 PHE A CZ 1 ATOM 3037 H H . PHE A 1 317 ? 38.944 30.015 9.241 1.00 4.73 ? 318 PHE A H 1 ATOM 3038 N N . LEU A 1 318 ? 39.874 28.844 12.219 1.00 5.21 ? 319 LEU A N 1 ATOM 3039 C CA . LEU A 1 318 ? 40.224 27.992 13.354 1.00 5.16 ? 319 LEU A CA 1 ATOM 3040 C C . LEU A 1 318 ? 41.581 27.309 13.186 1.00 5.18 ? 319 LEU A C 1 ATOM 3041 O O . LEU A 1 318 ? 42.251 27.015 14.176 1.00 5.94 ? 319 LEU A O 1 ATOM 3042 C CB . LEU A 1 318 ? 39.120 26.962 13.644 1.00 6.02 ? 319 LEU A CB 1 ATOM 3043 C CG . LEU A 1 318 ? 38.896 25.788 12.692 1.00 6.38 ? 319 LEU A CG 1 ATOM 3044 C CD1 . LEU A 1 318 ? 39.759 24.581 13.103 1.00 7.15 ? 319 LEU A CD1 1 ATOM 3045 C CD2 . LEU A 1 318 ? 37.399 25.412 12.720 1.00 8.01 ? 319 LEU A CD2 1 ATOM 3046 H H . LEU A 1 318 ? 39.092 28.624 11.652 1.00 5.21 ? 319 LEU A H 1 ATOM 3047 N N . CYS A 1 319 ? 41.991 27.071 11.941 1.00 3.21 ? 320 CYS A N 1 ATOM 3048 C CA . CYS A 1 319 ? 43.286 26.432 11.668 1.00 4.56 ? 320 CYS A CA 1 ATOM 3049 C C . CYS A 1 319 ? 44.425 27.430 11.872 1.00 5.61 ? 320 CYS A C 1 ATOM 3050 O O . CYS A 1 319 ? 45.495 27.081 12.387 1.00 5.45 ? 320 CYS A O 1 ATOM 3051 C CB . CYS A 1 319 ? 43.320 25.863 10.251 1.00 3.75 ? 320 CYS A CB 1 ATOM 3052 S SG . CYS A 1 319 ? 42.189 24.451 10.015 1.00 7.22 ? 320 CYS A SG 1 ATOM 3053 H H . CYS A 1 319 ? 41.416 27.331 11.193 1.00 3.21 ? 320 CYS A H 1 ATOM 3054 N N . THR A 1 320 ? 44.199 28.671 11.452 1.00 4.93 ? 321 THR A N 1 ATOM 3055 C CA . THR A 1 320 ? 45.198 29.720 11.621 1.00 5.77 ? 321 THR A CA 1 ATOM 3056 C C . THR A 1 320 ? 45.356 30.012 13.116 1.00 6.28 ? 321 THR A C 1 ATOM 3057 O O . THR A 1 320 ? 46.474 30.187 13.611 1.00 5.16 ? 321 THR A O 1 ATOM 3058 C CB . THR A 1 320 ? 44.796 30.969 10.812 1.00 6.94 ? 321 THR A CB 1 ATOM 3059 O OG1 . THR A 1 320 ? 44.714 30.600 9.424 1.00 6.65 ? 321 THR A OG1 1 ATOM 3060 C CG2 . THR A 1 320 ? 45.820 32.092 10.975 1.00 5.99 ? 321 THR A CG2 1 ATOM 3061 H H . THR A 1 320 ? 43.356 28.903 11.007 1.00 4.93 ? 321 THR A H 1 ATOM 3062 H HG1 . THR A 1 320 ? 44.006 29.956 9.282 1.00 6.65 ? 321 THR A HG1 1 ATOM 3063 N N . LEU A 1 321 ? 44.236 30.004 13.841 1.00 6.00 ? 322 LEU A N 1 ATOM 3064 C CA . LEU A 1 321 ? 44.257 30.219 15.283 1.00 6.10 ? 322 LEU A CA 1 ATOM 3065 C C . LEU A 1 321 ? 44.959 29.071 16.020 1.00 6.05 ? 322 LEU A C 1 ATOM 3066 O O . LEU A 1 321 ? 45.676 29.318 16.988 1.00 7.37 ? 322 LEU A O 1 ATOM 3067 C CB . LEU A 1 321 ? 42.843 30.440 15.829 1.00 5.49 ? 322 LEU A CB 1 ATOM 3068 C CG . LEU A 1 321 ? 42.259 31.815 15.478 1.00 6.21 ? 322 LEU A CG 1 ATOM 3069 C CD1 . LEU A 1 321 ? 40.749 31.822 15.719 1.00 6.39 ? 322 LEU A CD1 1 ATOM 3070 C CD2 . LEU A 1 321 ? 42.951 32.909 16.282 1.00 6.74 ? 322 LEU A CD2 1 ATOM 3071 H H . LEU A 1 321 ? 43.374 29.878 13.393 1.00 6.00 ? 322 LEU A H 1 ATOM 3072 N N . ALA A 1 322 ? 44.790 27.835 15.553 1.00 5.85 ? 323 ALA A N 1 ATOM 3073 C CA . ALA A 1 322 ? 45.438 26.674 16.186 1.00 5.39 ? 323 ALA A CA 1 ATOM 3074 C C . ALA A 1 322 ? 46.961 26.793 16.065 1.00 6.73 ? 323 ALA A C 1 ATOM 3075 O O . ALA A 1 322 ? 47.698 26.398 16.975 1.00 6.86 ? 323 ALA A O 1 ATOM 3076 C CB . ALA A 1 322 ? 44.960 25.367 15.539 1.00 6.32 ? 323 ALA A CB 1 ATOM 3077 H H . ALA A 1 322 ? 44.206 27.692 14.783 1.00 5.85 ? 323 ALA A H 1 ATOM 3078 N N . ALA A 1 323 ? 47.430 27.341 14.944 1.00 6.21 ? 324 ALA A N 1 ATOM 3079 C CA . ALA A 1 323 ? 48.870 27.518 14.734 1.00 7.11 ? 324 ALA A CA 1 ATOM 3080 C C . ALA A 1 323 ? 49.436 28.465 15.803 1.00 7.35 ? 324 ALA A C 1 ATOM 3081 O O . ALA A 1 323 ? 50.545 28.251 16.311 1.00 8.43 ? 324 ALA A O 1 ATOM 3082 C CB . ALA A 1 323 ? 49.144 28.054 13.336 1.00 5.79 ? 324 ALA A CB 1 ATOM 3083 H H . ALA A 1 323 ? 46.806 27.617 14.240 1.00 6.21 ? 324 ALA A H 1 ATOM 3084 N N . ALA A 1 324 ? 48.669 29.495 16.151 1.00 5.21 ? 325 ALA A N 1 ATOM 3085 C CA . ALA A 1 324 ? 49.087 30.441 17.172 1.00 5.37 ? 325 ALA A CA 1 ATOM 3086 C C . ALA A 1 324 ? 48.945 29.821 18.565 1.00 6.13 ? 325 ALA A C 1 ATOM 3087 O O . ALA A 1 324 ? 49.850 29.922 19.388 1.00 5.15 ? 325 ALA A O 1 ATOM 3088 C CB . ALA A 1 324 ? 48.270 31.730 17.080 1.00 5.71 ? 325 ALA A CB 1 ATOM 3089 H H . ALA A 1 324 ? 47.808 29.622 15.705 1.00 5.21 ? 325 ALA A H 1 ATOM 3090 N N . GLU A 1 325 ? 47.825 29.147 18.818 1.00 4.52 ? 326 GLU A N 1 ATOM 3091 C CA . GLU A 1 325 ? 47.587 28.542 20.124 1.00 4.87 ? 326 GLU A CA 1 ATOM 3092 C C . GLU A 1 325 ? 48.644 27.527 20.560 1.00 4.24 ? 326 GLU A C 1 ATOM 3093 O O . GLU A 1 325 ? 49.024 27.504 21.730 1.00 4.25 ? 326 GLU A O 1 ATOM 3094 C CB . GLU A 1 325 ? 46.191 27.910 20.199 1.00 3.96 ? 326 GLU A CB 1 ATOM 3095 C CG . GLU A 1 325 ? 45.851 27.418 21.607 1.00 5.67 ? 326 GLU A CG 1 ATOM 3096 C CD . GLU A 1 325 ? 44.379 27.115 21.808 1.00 6.39 ? 326 GLU A CD 1 ATOM 3097 O OE1 . GLU A 1 325 ? 43.543 27.700 21.102 1.00 6.66 ? 326 GLU A OE1 1 ATOM 3098 O OE2 . GLU A 1 325 ? 44.060 26.301 22.694 1.00 7.22 ? 326 GLU A OE2 1 ATOM 3099 H H . GLU A 1 325 ? 47.150 29.059 18.120 1.00 4.52 ? 326 GLU A H 1 ATOM 3100 N N . GLN A 1 326 ? 49.130 26.693 19.643 1.00 4.08 ? 327 GLN A N 1 ATOM 3101 C CA . GLN A 1 326 ? 50.152 25.717 20.026 1.00 4.77 ? 327 GLN A CA 1 ATOM 3102 C C . GLN A 1 326 ? 51.387 26.444 20.565 1.00 5.42 ? 327 GLN A C 1 ATOM 3103 O O . GLN A 1 326 ? 51.995 26.011 21.545 1.00 5.14 ? 327 GLN A O 1 ATOM 3104 C CB . GLN A 1 326 ? 50.570 24.815 18.864 1.00 5.23 ? 327 GLN A CB 1 ATOM 3105 C CG . GLN A 1 326 ? 51.419 23.635 19.353 1.00 6.36 ? 327 GLN A CG 1 ATOM 3106 C CD . GLN A 1 326 ? 52.058 22.832 18.238 1.00 8.45 ? 327 GLN A CD 1 ATOM 3107 O OE1 . GLN A 1 326 ? 51.441 22.577 17.210 1.00 9.34 ? 327 GLN A OE1 1 ATOM 3108 N NE2 . GLN A 1 326 ? 53.300 22.413 18.449 1.00 6.41 ? 327 GLN A NE2 1 ATOM 3109 H H . GLN A 1 326 ? 48.785 26.715 18.724 1.00 4.08 ? 327 GLN A H 1 ATOM 3110 H HE21 . GLN A 1 326 ? 53.746 21.873 17.760 1.00 6.41 ? 327 GLN A HE21 1 ATOM 3111 H HE22 . GLN A 1 326 ? 53.734 22.644 19.299 1.00 6.41 ? 327 GLN A HE22 1 ATOM 3112 N N . LEU A 1 327 ? 51.732 27.567 19.940 1.00 5.93 ? 328 LEU A N 1 ATOM 3113 C CA . LEU A 1 327 ? 52.897 28.351 20.364 1.00 6.38 ? 328 LEU A CA 1 ATOM 3114 C C . LEU A 1 327 ? 52.665 29.047 21.711 1.00 6.16 ? 328 LEU A C 1 ATOM 3115 O O . LEU A 1 327 ? 53.566 29.096 22.546 1.00 5.14 ? 328 LEU A O 1 ATOM 3116 C CB . LEU A 1 327 ? 53.297 29.347 19.272 1.00 6.07 ? 328 LEU A CB 1 ATOM 3117 C CG . LEU A 1 327 ? 53.589 28.683 17.920 1.00 8.64 ? 328 LEU A CG 1 ATOM 3118 C CD1 . LEU A 1 327 ? 53.962 29.746 16.908 1.00 10.86 ? 328 LEU A CD1 1 ATOM 3119 C CD2 . LEU A 1 327 ? 54.681 27.626 18.043 1.00 9.64 ? 328 LEU A CD2 1 ATOM 3120 H H . LEU A 1 327 ? 51.181 27.891 19.199 1.00 5.93 ? 328 LEU A H 1 ATOM 3121 N N . TYR A 1 328 ? 51.470 29.589 21.933 1.00 5.38 ? 329 TYR A N 1 ATOM 3122 C CA . TYR A 1 328 ? 51.175 30.209 23.228 1.00 6.15 ? 329 TYR A CA 1 ATOM 3123 C C . TYR A 1 328 ? 51.284 29.148 24.340 1.00 6.72 ? 329 TYR A C 1 ATOM 3124 O O . TYR A 1 328 ? 51.787 29.441 25.432 1.00 6.38 ? 329 TYR A O 1 ATOM 3125 C CB . TYR A 1 328 ? 49.784 30.843 23.246 1.00 5.38 ? 329 TYR A CB 1 ATOM 3126 C CG . TYR A 1 328 ? 49.618 32.030 22.325 1.00 6.66 ? 329 TYR A CG 1 ATOM 3127 C CD1 . TYR A 1 328 ? 50.616 33.000 22.204 1.00 7.31 ? 329 TYR A CD1 1 ATOM 3128 C CD2 . TYR A 1 328 ? 48.455 32.181 21.566 1.00 8.08 ? 329 TYR A CD2 1 ATOM 3129 C CE1 . TYR A 1 328 ? 50.454 34.093 21.348 1.00 8.13 ? 329 TYR A CE1 1 ATOM 3130 C CE2 . TYR A 1 328 ? 48.286 33.261 20.717 1.00 7.30 ? 329 TYR A CE2 1 ATOM 3131 C CZ . TYR A 1 328 ? 49.281 34.212 20.608 1.00 9.52 ? 329 TYR A CZ 1 ATOM 3132 O OH . TYR A 1 328 ? 49.093 35.280 19.757 1.00 9.78 ? 329 TYR A OH 1 ATOM 3133 H H . TYR A 1 328 ? 50.788 29.568 21.224 1.00 5.38 ? 329 TYR A H 1 ATOM 3134 H HH . TYR A 1 328 ? 49.929 35.718 19.596 1.00 9.78 ? 329 TYR A HH 1 ATOM 3135 N N . ASP A 1 329 ? 50.835 27.919 24.059 1.00 5.44 ? 330 ASP A N 1 ATOM 3136 C CA . ASP A 1 329 ? 50.921 26.816 25.021 1.00 5.58 ? 330 ASP A CA 1 ATOM 3137 C C . ASP A 1 329 ? 52.389 26.504 25.306 1.00 6.20 ? 330 ASP A C 1 ATOM 3138 O O . ASP A 1 329 ? 52.777 26.335 26.461 1.00 6.97 ? 330 ASP A O 1 ATOM 3139 C CB . ASP A 1 329 ? 50.264 25.535 24.472 1.00 6.27 ? 330 ASP A CB 1 ATOM 3140 C CG . ASP A 1 329 ? 48.739 25.604 24.442 1.00 5.78 ? 330 ASP A CG 1 ATOM 3141 O OD1 . ASP A 1 329 ? 48.167 26.545 25.022 1.00 6.42 ? 330 ASP A OD1 1 ATOM 3142 O OD2 . ASP A 1 329 ? 48.119 24.693 23.850 1.00 5.04 ? 330 ASP A OD2 1 ATOM 3143 H H . ASP A 1 329 ? 50.404 27.740 23.197 1.00 5.44 ? 330 ASP A H 1 ATOM 3144 N N . ALA A 1 330 ? 53.195 26.414 24.248 1.00 5.10 ? 331 ALA A N 1 ATOM 3145 C CA . ALA A 1 330 ? 54.624 26.124 24.391 1.00 5.55 ? 331 ALA A CA 1 ATOM 3146 C C . ALA A 1 330 ? 55.324 27.203 25.229 1.00 6.61 ? 331 ALA A C 1 ATOM 3147 O O . ALA A 1 330 ? 56.128 26.883 26.112 1.00 7.05 ? 331 ALA A O 1 ATOM 3148 C CB . ALA A 1 330 ? 55.286 25.977 23.009 1.00 6.31 ? 331 ALA A CB 1 ATOM 3149 H H . ALA A 1 330 ? 52.798 26.518 23.360 1.00 5.10 ? 331 ALA A H 1 ATOM 3150 N N . LEU A 1 331 ? 54.982 28.467 24.994 1.00 6.19 ? 332 LEU A N 1 ATOM 3151 C CA . LEU A 1 331 ? 55.579 29.564 25.753 1.00 7.53 ? 332 LEU A CA 1 ATOM 3152 C C . LEU A 1 331 ? 55.270 29.378 27.238 1.00 8.76 ? 332 LEU A C 1 ATOM 3153 O O . LEU A 1 331 ? 56.141 29.553 28.105 1.00 8.80 ? 332 LEU A O 1 ATOM 3154 C CB . LEU A 1 331 ? 55.042 30.916 25.263 1.00 7.56 ? 332 LEU A CB 1 ATOM 3155 C CG . LEU A 1 331 ? 55.588 31.364 23.903 1.00 9.72 ? 332 LEU A CG 1 ATOM 3156 C CD1 . LEU A 1 331 ? 54.765 32.507 23.337 1.00 9.06 ? 332 LEU A CD1 1 ATOM 3157 C CD2 . LEU A 1 331 ? 57.054 31.772 24.056 1.00 9.87 ? 332 LEU A CD2 1 ATOM 3158 H H . LEU A 1 331 ? 54.329 28.656 24.292 1.00 6.19 ? 332 LEU A H 1 ATOM 3159 N N . TYR A 1 332 ? 54.025 29.003 27.526 1.00 6.19 ? 333 TYR A N 1 ATOM 3160 C CA . TYR A 1 332 ? 53.600 28.783 28.896 1.00 5.74 ? 333 TYR A CA 1 ATOM 3161 C C . TYR A 1 332 ? 54.405 27.647 29.534 1.00 6.04 ? 333 TYR A C 1 ATOM 3162 O O . TYR A 1 332 ? 54.891 27.779 30.657 1.00 7.01 ? 333 TYR A O 1 ATOM 3163 C CB . TYR A 1 332 ? 52.101 28.460 28.931 1.00 6.92 ? 333 TYR A CB 1 ATOM 3164 C CG . TYR A 1 332 ? 51.604 28.143 30.304 1.00 8.19 ? 333 TYR A CG 1 ATOM 3165 C CD1 . TYR A 1 332 ? 51.657 26.837 30.793 1.00 9.54 ? 333 TYR A CD1 1 ATOM 3166 C CD2 . TYR A 1 332 ? 51.114 29.150 31.133 1.00 9.50 ? 333 TYR A CD2 1 ATOM 3167 C CE1 . TYR A 1 332 ? 51.242 26.539 32.073 1.00 11.58 ? 333 TYR A CE1 1 ATOM 3168 C CE2 . TYR A 1 332 ? 50.691 28.864 32.421 1.00 11.44 ? 333 TYR A CE2 1 ATOM 3169 C CZ . TYR A 1 332 ? 50.756 27.557 32.881 1.00 11.82 ? 333 TYR A CZ 1 ATOM 3170 O OH . TYR A 1 332 ? 50.309 27.248 34.146 1.00 16.53 ? 333 TYR A OH 1 ATOM 3171 H H . TYR A 1 332 ? 53.384 28.871 26.799 1.00 6.19 ? 333 TYR A H 1 ATOM 3172 H HH . TYR A 1 332 ? 49.963 28.048 34.577 1.00 16.53 ? 333 TYR A HH 1 ATOM 3173 N N . GLN A 1 333 ? 54.563 26.540 28.815 1.00 5.79 ? 334 GLN A N 1 ATOM 3174 C CA . GLN A 1 333 ? 55.304 25.392 29.334 1.00 6.13 ? 334 GLN A CA 1 ATOM 3175 C C . GLN A 1 333 ? 56.778 25.724 29.596 1.00 6.89 ? 334 GLN A C 1 ATOM 3176 O O . GLN A 1 333 ? 57.309 25.363 30.642 1.00 7.51 ? 334 GLN A O 1 ATOM 3177 C CB . GLN A 1 333 ? 55.202 24.205 28.382 1.00 7.05 ? 334 GLN A CB 1 ATOM 3178 C CG . GLN A 1 333 ? 53.799 23.633 28.265 1.00 7.18 ? 334 GLN A CG 1 ATOM 3179 C CD . GLN A 1 333 ? 53.764 22.398 27.396 1.00 7.24 ? 334 GLN A CD 1 ATOM 3180 O OE1 . GLN A 1 333 ? 53.764 22.485 26.165 1.00 6.81 ? 334 GLN A OE1 1 ATOM 3181 N NE2 . GLN A 1 333 ? 53.752 21.237 28.027 1.00 8.14 ? 334 GLN A NE2 1 ATOM 3182 H H . GLN A 1 333 ? 54.164 26.492 27.918 1.00 5.79 ? 334 GLN A H 1 ATOM 3183 H HE21 . GLN A 1 333 ? 53.692 20.413 27.509 1.00 8.14 ? 334 GLN A HE21 1 ATOM 3184 H HE22 . GLN A 1 333 ? 53.789 21.255 29.007 1.00 8.14 ? 334 GLN A HE22 1 ATOM 3185 N N . TRP A 1 334 ? 57.421 26.424 28.663 1.00 6.38 ? 335 TRP A N 1 ATOM 3186 C CA . TRP A 1 334 ? 58.830 26.798 28.840 1.00 8.28 ? 335 TRP A CA 1 ATOM 3187 C C . TRP A 1 334 ? 58.995 27.700 30.051 1.00 9.24 ? 335 TRP A C 1 ATOM 3188 O O . TRP A 1 334 ? 59.912 27.524 30.849 1.00 10.06 ? 335 TRP A O 1 ATOM 3189 C CB . TRP A 1 334 ? 59.357 27.526 27.617 1.00 7.13 ? 335 TRP A CB 1 ATOM 3190 C CG . TRP A 1 334 ? 59.488 26.657 26.429 1.00 5.89 ? 335 TRP A CG 1 ATOM 3191 C CD1 . TRP A 1 334 ? 59.777 25.320 26.409 1.00 6.38 ? 335 TRP A CD1 1 ATOM 3192 C CD2 . TRP A 1 334 ? 59.349 27.064 25.067 1.00 7.37 ? 335 TRP A CD2 1 ATOM 3193 N NE1 . TRP A 1 334 ? 59.833 24.871 25.107 1.00 7.62 ? 335 TRP A NE1 1 ATOM 3194 C CE2 . TRP A 1 334 ? 59.568 25.919 24.264 1.00 7.11 ? 335 TRP A CE2 1 ATOM 3195 C CE3 . TRP A 1 334 ? 59.059 28.286 24.444 1.00 7.80 ? 335 TRP A CE3 1 ATOM 3196 C CZ2 . TRP A 1 334 ? 59.499 25.959 22.866 1.00 7.81 ? 335 TRP A CZ2 1 ATOM 3197 C CZ3 . TRP A 1 334 ? 58.992 28.325 23.048 1.00 8.96 ? 335 TRP A CZ3 1 ATOM 3198 C CH2 . TRP A 1 334 ? 59.210 27.165 22.281 1.00 9.34 ? 335 TRP A CH2 1 ATOM 3199 H H . TRP A 1 334 ? 56.947 26.680 27.842 1.00 6.38 ? 335 TRP A H 1 ATOM 3200 H HE1 . TRP A 1 334 ? 60.074 23.956 24.826 1.00 7.62 ? 335 TRP A HE1 1 ATOM 3201 N N . ASP A 1 335 ? 58.094 28.661 30.182 1.00 9.77 ? 336 ASP A N 1 ATOM 3202 C CA . ASP A 1 335 ? 58.124 29.591 31.290 1.00 11.69 ? 336 ASP A CA 1 ATOM 3203 C C . ASP A 1 335 ? 57.963 28.859 32.625 1.00 13.28 ? 336 ASP A C 1 ATOM 3204 O O . ASP A 1 335 ? 58.738 29.074 33.564 1.00 12.93 ? 336 ASP A O 1 ATOM 3205 C CB . ASP A 1 335 ? 57.023 30.634 31.110 1.00 15.41 ? 336 ASP A CB 1 ATOM 3206 C CG . ASP A 1 335 ? 57.000 31.646 32.230 1.00 20.73 ? 336 ASP A CG 1 ATOM 3207 O OD1 . ASP A 1 335 ? 57.953 32.442 32.325 1.00 23.68 ? 336 ASP A OD1 1 ATOM 3208 O OD2 . ASP A 1 335 ? 56.040 31.640 33.031 1.00 23.10 ? 336 ASP A OD2 1 ATOM 3209 H H . ASP A 1 335 ? 57.373 28.743 29.516 1.00 9.77 ? 336 ASP A H 1 ATOM 3210 N N . LYS A 1 336 ? 56.990 27.957 32.692 1.00 12.29 ? 337 LYS A N 1 ATOM 3211 C CA . LYS A 1 336 ? 56.740 27.194 33.907 1.00 14.95 ? 337 LYS A CA 1 ATOM 3212 C C . LYS A 1 336 ? 57.921 26.267 34.268 1.00 15.06 ? 337 LYS A C 1 ATOM 3213 O O . LYS A 1 336 ? 58.231 26.091 35.449 1.00 15.86 ? 337 LYS A O 1 ATOM 3214 C CB . LYS A 1 336 ? 55.421 26.413 33.777 1.00 16.64 ? 337 LYS A CB 1 ATOM 3215 C CG . LYS A 1 336 ? 55.039 25.606 35.012 1.00 22.47 ? 337 LYS A CG 1 ATOM 3216 C CD . LYS A 1 336 ? 53.665 24.959 34.858 1.00 26.55 ? 337 LYS A CD 1 ATOM 3217 C CE . LYS A 1 336 ? 53.379 23.960 35.973 1.00 29.12 ? 337 LYS A CE 1 ATOM 3218 N NZ . LYS A 1 336 ? 54.329 22.801 35.919 1.00 33.05 ? 337 LYS A NZ 1 ATOM 3219 H H . LYS A 1 336 ? 56.407 27.803 31.917 1.00 12.29 ? 337 LYS A H 1 ATOM 3220 H HZ1 . LYS A 1 336 ? 54.285 22.367 34.974 1.00 33.05 ? 337 LYS A HZ1 1 ATOM 3221 H HZ2 . LYS A 1 336 ? 55.315 23.119 36.075 1.00 33.05 ? 337 LYS A HZ2 1 ATOM 3222 H HZ3 . LYS A 1 336 ? 54.094 22.085 36.631 1.00 33.05 ? 337 LYS A HZ3 1 ATOM 3223 N N . GLN A 1 337 ? 58.575 25.678 33.263 1.00 13.92 ? 338 GLN A N 1 ATOM 3224 C CA . GLN A 1 337 ? 59.724 24.797 33.494 1.00 15.19 ? 338 GLN A CA 1 ATOM 3225 C C . GLN A 1 337 ? 60.984 25.588 33.845 1.00 15.08 ? 338 GLN A C 1 ATOM 3226 O O . GLN A 1 337 ? 61.911 25.054 34.467 1.00 16.20 ? 338 GLN A O 1 ATOM 3227 C CB . GLN A 1 337 ? 60.087 24.021 32.239 1.00 18.63 ? 338 GLN A CB 1 ATOM 3228 C CG . GLN A 1 337 ? 59.126 22.998 31.769 1.00 28.18 ? 338 GLN A CG 1 ATOM 3229 C CD . GLN A 1 337 ? 59.789 22.106 30.749 1.00 31.86 ? 338 GLN A CD 1 ATOM 3230 O OE1 . GLN A 1 337 ? 60.559 22.570 29.891 1.00 34.86 ? 338 GLN A OE1 1 ATOM 3231 N NE2 . GLN A 1 337 ? 59.553 20.812 30.872 1.00 34.94 ? 338 GLN A NE2 1 ATOM 3232 H H . GLN A 1 337 ? 58.258 25.822 32.345 1.00 13.92 ? 338 GLN A H 1 ATOM 3233 H HE21 . GLN A 1 337 ? 60.029 20.268 30.238 1.00 34.94 ? 338 GLN A HE21 1 ATOM 3234 H HE22 . GLN A 1 337 ? 58.955 20.484 31.575 1.00 34.94 ? 338 GLN A HE22 1 ATOM 3235 N N . GLY A 1 338 ? 61.072 26.805 33.323 1.00 12.52 ? 339 GLY A N 1 ATOM 3236 C CA . GLY A 1 338 ? 62.236 27.633 33.560 1.00 12.76 ? 339 GLY A CA 1 ATOM 3237 C C . GLY A 1 338 ? 63.350 27.361 32.560 1.00 13.09 ? 339 GLY A C 1 ATOM 3238 O O . GLY A 1 338 ? 64.511 27.747 32.783 1.00 12.02 ? 339 GLY A O 1 ATOM 3239 H H . GLY A 1 338 ? 60.345 27.147 32.763 1.00 12.52 ? 339 GLY A H 1 ATOM 3240 N N . SER A 1 339 ? 63.028 26.667 31.473 1.00 11.58 ? 340 SER A N 1 ATOM 3241 C CA . SER A 1 339 ? 64.018 26.386 30.443 1.00 12.67 ? 340 SER A CA 1 ATOM 3242 C C . SER A 1 339 ? 63.373 25.908 29.166 1.00 12.85 ? 340 SER A C 1 ATOM 3243 O O . SER A 1 339 ? 62.190 25.579 29.127 1.00 12.01 ? 340 SER A O 1 ATOM 3244 C CB . SER A 1 339 ? 65.061 25.363 30.902 1.00 14.39 ? 340 SER A CB 1 ATOM 3245 O OG . SER A 1 339 ? 64.538 24.049 30.908 1.00 15.79 ? 340 SER A OG 1 ATOM 3246 H H . SER A 1 339 ? 62.122 26.325 31.315 1.00 11.58 ? 340 SER A H 1 ATOM 3247 H HG . SER A 1 339 ? 64.070 23.960 31.757 1.00 15.79 ? 340 SER A HG 1 ATOM 3248 N N . LEU A 1 340 ? 64.199 25.810 28.142 1.00 12.45 ? 341 LEU A N 1 ATOM 3249 C CA . LEU A 1 340 ? 63.779 25.392 26.827 1.00 13.64 ? 341 LEU A CA 1 ATOM 3250 C C . LEU A 1 340 ? 64.925 24.563 26.253 1.00 13.54 ? 341 LEU A C 1 ATOM 3251 O O . LEU A 1 340 ? 66.098 24.882 26.455 1.00 12.26 ? 341 LEU A O 1 ATOM 3252 C CB . LEU A 1 340 ? 63.526 26.671 26.034 1.00 16.06 ? 341 LEU A CB 1 ATOM 3253 C CG . LEU A 1 340 ? 63.519 26.963 24.546 1.00 17.88 ? 341 LEU A CG 1 ATOM 3254 C CD1 . LEU A 1 340 ? 63.087 28.431 24.423 1.00 17.69 ? 341 LEU A CD1 1 ATOM 3255 C CD2 . LEU A 1 340 ? 64.880 26.762 23.912 1.00 15.00 ? 341 LEU A CD2 1 ATOM 3256 H H . LEU A 1 340 ? 65.147 26.036 28.256 1.00 12.45 ? 341 LEU A H 1 ATOM 3257 N N . GLU A 1 341 ? 64.597 23.457 25.606 1.00 13.70 ? 342 GLU A N 1 ATOM 3258 C CA . GLU A 1 341 ? 65.622 22.620 25.017 1.00 15.15 ? 342 GLU A CA 1 ATOM 3259 C C . GLU A 1 341 ? 65.468 22.560 23.503 1.00 15.22 ? 342 GLU A C 1 ATOM 3260 O O . GLU A 1 341 ? 64.348 22.541 22.987 1.00 15.37 ? 342 GLU A O 1 ATOM 3261 C CB . GLU A 1 341 ? 65.564 21.210 25.601 1.00 18.25 ? 342 GLU A CB 1 ATOM 3262 C CG . GLU A 1 341 ? 66.607 20.286 24.999 1.00 26.17 ? 342 GLU A CG 1 ATOM 3263 C CD . GLU A 1 341 ? 66.493 18.846 25.465 1.00 31.31 ? 342 GLU A CD 1 ATOM 3264 O OE1 . GLU A 1 341 ? 65.387 18.424 25.886 1.00 34.74 ? 342 GLU A OE1 1 ATOM 3265 O OE2 . GLU A 1 341 ? 67.521 18.131 25.386 1.00 33.34 ? 342 GLU A OE2 1 ATOM 3266 H H . GLU A 1 341 ? 63.656 23.182 25.525 1.00 13.70 ? 342 GLU A H 1 ATOM 3267 N N . ILE A 1 342 ? 66.584 22.605 22.787 1.00 11.66 ? 343 ILE A N 1 ATOM 3268 C CA . ILE A 1 342 ? 66.544 22.492 21.339 1.00 10.02 ? 343 ILE A CA 1 ATOM 3269 C C . ILE A 1 342 ? 67.232 21.168 21.023 1.00 10.59 ? 343 ILE A C 1 ATOM 3270 O O . ILE A 1 342 ? 68.339 20.916 21.513 1.00 8.95 ? 343 ILE A O 1 ATOM 3271 C CB . ILE A 1 342 ? 67.288 23.651 20.655 1.00 10.37 ? 343 ILE A CB 1 ATOM 3272 C CG1 . ILE A 1 342 ? 66.639 24.982 21.022 1.00 9.50 ? 343 ILE A CG1 1 ATOM 3273 C CG2 . ILE A 1 342 ? 67.302 23.444 19.147 1.00 10.69 ? 343 ILE A CG2 1 ATOM 3274 C CD1 . ILE A 1 342 ? 67.261 26.177 20.327 1.00 10.30 ? 343 ILE A CD1 1 ATOM 3275 H H . ILE A 1 342 ? 67.451 22.691 23.237 1.00 11.66 ? 343 ILE A H 1 ATOM 3276 N N . THR A 1 343 ? 66.567 20.299 20.260 1.00 8.77 ? 344 THR A N 1 ATOM 3277 C CA . THR A 1 343 ? 67.141 19.004 19.900 1.00 8.35 ? 344 THR A CA 1 ATOM 3278 C C . THR A 1 343 ? 67.285 18.924 18.379 1.00 10.18 ? 344 THR A C 1 ATOM 3279 O O . THR A 1 343 ? 66.849 19.825 17.649 1.00 9.36 ? 344 THR A O 1 ATOM 3280 C CB . THR A 1 343 ? 66.244 17.823 20.366 1.00 10.92 ? 344 THR A CB 1 ATOM 3281 O OG1 . THR A 1 343 ? 65.062 17.757 19.549 1.00 10.93 ? 344 THR A OG1 1 ATOM 3282 C CG2 . THR A 1 343 ? 65.837 17.989 21.821 1.00 10.81 ? 344 THR A CG2 1 ATOM 3283 H H . THR A 1 343 ? 65.689 20.519 19.876 1.00 8.77 ? 344 THR A H 1 ATOM 3284 H HG1 . THR A 1 343 ? 64.537 17.042 19.951 1.00 10.93 ? 344 THR A HG1 1 ATOM 3285 N N . ASP A 1 344 ? 67.884 17.843 17.893 1.00 10.80 ? 345 ASP A N 1 ATOM 3286 C CA . ASP A 1 344 ? 68.037 17.657 16.457 1.00 13.17 ? 345 ASP A CA 1 ATOM 3287 C C . ASP A 1 344 ? 66.680 17.627 15.758 1.00 12.84 ? 345 ASP A C 1 ATOM 3288 O O . ASP A 1 344 ? 66.543 18.120 14.639 1.00 13.65 ? 345 ASP A O 1 ATOM 3289 C CB . ASP A 1 344 ? 68.791 16.365 16.166 1.00 16.95 ? 345 ASP A CB 1 ATOM 3290 C CG . ASP A 1 344 ? 70.286 16.525 16.316 1.00 23.23 ? 345 ASP A CG 1 ATOM 3291 O OD1 . ASP A 1 344 ? 70.810 17.613 15.974 1.00 27.58 ? 345 ASP A OD1 1 ATOM 3292 O OD2 . ASP A 1 344 ? 70.942 15.560 16.766 1.00 28.68 ? 345 ASP A OD2 1 ATOM 3293 H H . ASP A 1 344 ? 68.254 17.172 18.509 1.00 10.80 ? 345 ASP A H 1 ATOM 3294 N N . VAL A 1 345 ? 65.674 17.093 16.445 1.00 11.42 ? 346 VAL A N 1 ATOM 3295 C CA . VAL A 1 345 ? 64.321 17.005 15.888 1.00 10.13 ? 346 VAL A CA 1 ATOM 3296 C C . VAL A 1 345 ? 63.637 18.369 15.716 1.00 9.77 ? 346 VAL A C 1 ATOM 3297 O O . VAL A 1 345 ? 63.018 18.639 14.682 1.00 9.12 ? 346 VAL A O 1 ATOM 3298 C CB . VAL A 1 345 ? 63.431 16.077 16.747 1.00 10.73 ? 346 VAL A CB 1 ATOM 3299 C CG1 . VAL A 1 345 ? 61.977 16.160 16.296 1.00 10.97 ? 346 VAL A CG1 1 ATOM 3300 C CG2 . VAL A 1 345 ? 63.919 14.649 16.631 1.00 11.54 ? 346 VAL A CG2 1 ATOM 3301 H H . VAL A 1 345 ? 65.854 16.755 17.345 1.00 11.42 ? 346 VAL A H 1 ATOM 3302 N N . SER A 1 346 ? 63.787 19.245 16.704 1.00 9.11 ? 347 SER A N 1 ATOM 3303 C CA . SER A 1 346 ? 63.161 20.560 16.646 1.00 7.98 ? 347 SER A CA 1 ATOM 3304 C C . SER A 1 346 ? 64.056 21.704 16.160 1.00 9.24 ? 347 SER A C 1 ATOM 3305 O O . SER A 1 346 ? 63.598 22.852 16.082 1.00 8.16 ? 347 SER A O 1 ATOM 3306 C CB . SER A 1 346 ? 62.603 20.911 18.020 1.00 9.14 ? 347 SER A CB 1 ATOM 3307 O OG . SER A 1 346 ? 63.613 20.829 19.013 1.00 8.80 ? 347 SER A OG 1 ATOM 3308 H H . SER A 1 346 ? 64.324 19.034 17.497 1.00 9.11 ? 347 SER A H 1 ATOM 3309 H HG . SER A 1 346 ? 63.133 20.706 19.839 1.00 8.80 ? 347 SER A HG 1 ATOM 3310 N N . LEU A 1 347 ? 65.312 21.409 15.823 1.00 9.70 ? 348 LEU A N 1 ATOM 3311 C CA . LEU A 1 347 ? 66.234 22.449 15.380 1.00 9.72 ? 348 LEU A CA 1 ATOM 3312 C C . LEU A 1 347 ? 65.699 23.331 14.250 1.00 10.12 ? 348 LEU A C 1 ATOM 3313 O O . LEU A 1 347 ? 65.767 24.555 14.342 1.00 10.71 ? 348 LEU A O 1 ATOM 3314 C CB . LEU A 1 347 ? 67.592 21.852 14.989 1.00 10.27 ? 348 LEU A CB 1 ATOM 3315 C CG . LEU A 1 347 ? 68.666 22.875 14.576 1.00 12.65 ? 348 LEU A CG 1 ATOM 3316 C CD1 . LEU A 1 347 ? 68.986 23.834 15.728 1.00 12.99 ? 348 LEU A CD1 1 ATOM 3317 C CD2 . LEU A 1 347 ? 69.908 22.137 14.127 1.00 14.01 ? 348 LEU A CD2 1 ATOM 3318 H H . LEU A 1 347 ? 65.631 20.486 15.874 1.00 9.70 ? 348 LEU A H 1 ATOM 3319 N N . ASP A 1 348 ? 65.157 22.726 13.198 1.00 10.81 ? 349 ASP A N 1 ATOM 3320 C CA . ASP A 1 348 ? 64.629 23.506 12.079 1.00 11.42 ? 349 ASP A CA 1 ATOM 3321 C C . ASP A 1 348 ? 63.537 24.497 12.469 1.00 10.77 ? 349 ASP A C 1 ATOM 3322 O O . ASP A 1 348 ? 63.481 25.607 11.931 1.00 9.29 ? 349 ASP A O 1 ATOM 3323 C CB . ASP A 1 348 ? 64.158 22.595 10.950 1.00 15.43 ? 349 ASP A CB 1 ATOM 3324 C CG . ASP A 1 348 ? 65.312 22.013 10.153 1.00 22.02 ? 349 ASP A CG 1 ATOM 3325 O OD1 . ASP A 1 348 ? 66.390 22.648 10.095 1.00 25.87 ? 349 ASP A OD1 1 ATOM 3326 O OD2 . ASP A 1 348 ? 65.144 20.918 9.581 1.00 25.87 ? 349 ASP A OD2 1 ATOM 3327 H H . ASP A 1 348 ? 65.110 21.740 13.169 1.00 10.81 ? 349 ASP A H 1 ATOM 3328 N N . PHE A 1 349 ? 62.661 24.099 13.387 1.00 9.53 ? 350 PHE A N 1 ATOM 3329 C CA . PHE A 1 349 ? 61.604 24.991 13.868 1.00 9.66 ? 350 PHE A CA 1 ATOM 3330 C C . PHE A 1 349 ? 62.237 26.261 14.466 1.00 9.48 ? 350 PHE A C 1 ATOM 3331 O O . PHE A 1 349 ? 61.841 27.391 14.142 1.00 9.15 ? 350 PHE A O 1 ATOM 3332 C CB . PHE A 1 349 ? 60.729 24.284 14.924 1.00 8.21 ? 350 PHE A CB 1 ATOM 3333 C CG . PHE A 1 349 ? 59.808 25.216 15.673 1.00 8.60 ? 350 PHE A CG 1 ATOM 3334 C CD1 . PHE A 1 349 ? 58.561 25.552 15.157 1.00 10.16 ? 350 PHE A CD1 1 ATOM 3335 C CD2 . PHE A 1 349 ? 60.224 25.813 16.863 1.00 9.69 ? 350 PHE A CD2 1 ATOM 3336 C CE1 . PHE A 1 349 ? 57.739 26.484 15.815 1.00 11.02 ? 350 PHE A CE1 1 ATOM 3337 C CE2 . PHE A 1 349 ? 59.421 26.742 17.529 1.00 10.66 ? 350 PHE A CE2 1 ATOM 3338 C CZ . PHE A 1 349 ? 58.174 27.081 17.001 1.00 11.56 ? 350 PHE A CZ 1 ATOM 3339 H H . PHE A 1 349 ? 62.716 23.175 13.726 1.00 9.53 ? 350 PHE A H 1 ATOM 3340 N N . PHE A 1 350 ? 63.210 26.072 15.350 1.00 8.52 ? 351 PHE A N 1 ATOM 3341 C CA . PHE A 1 350 ? 63.875 27.201 15.993 1.00 10.42 ? 351 PHE A CA 1 ATOM 3342 C C . PHE A 1 350 ? 64.750 28.033 15.058 1.00 10.89 ? 351 PHE A C 1 ATOM 3343 O O . PHE A 1 350 ? 64.721 29.268 15.122 1.00 10.30 ? 351 PHE A O 1 ATOM 3344 C CB . PHE A 1 350 ? 64.695 26.726 17.185 1.00 9.72 ? 351 PHE A CB 1 ATOM 3345 C CG . PHE A 1 350 ? 63.858 26.226 18.334 1.00 8.00 ? 351 PHE A CG 1 ATOM 3346 C CD1 . PHE A 1 350 ? 63.190 27.123 19.162 1.00 7.74 ? 351 PHE A CD1 1 ATOM 3347 C CD2 . PHE A 1 350 ? 63.757 24.867 18.600 1.00 7.86 ? 351 PHE A CD2 1 ATOM 3348 C CE1 . PHE A 1 350 ? 62.445 26.669 20.243 1.00 8.54 ? 351 PHE A CE1 1 ATOM 3349 C CE2 . PHE A 1 350 ? 63.013 24.404 19.677 1.00 8.08 ? 351 PHE A CE2 1 ATOM 3350 C CZ . PHE A 1 350 ? 62.355 25.306 20.499 1.00 7.87 ? 351 PHE A CZ 1 ATOM 3351 H H . PHE A 1 350 ? 63.483 25.154 15.569 1.00 8.52 ? 351 PHE A H 1 ATOM 3352 N N . LYS A 1 351 ? 65.504 27.362 14.189 1.00 12.54 ? 352 LYS A N 1 ATOM 3353 C CA . LYS A 1 351 ? 66.393 28.051 13.250 1.00 15.76 ? 352 LYS A CA 1 ATOM 3354 C C . LYS A 1 351 ? 65.667 29.025 12.330 1.00 15.48 ? 352 LYS A C 1 ATOM 3355 O O . LYS A 1 351 ? 66.195 30.094 12.003 1.00 14.71 ? 352 LYS A O 1 ATOM 3356 C CB . LYS A 1 351 ? 67.189 27.059 12.401 1.00 18.77 ? 352 LYS A CB 1 ATOM 3357 C CG . LYS A 1 351 ? 68.585 26.832 12.897 1.00 26.69 ? 352 LYS A CG 1 ATOM 3358 C CD . LYS A 1 351 ? 69.513 26.481 11.741 1.00 33.32 ? 352 LYS A CD 1 ATOM 3359 C CE . LYS A 1 351 ? 70.956 26.229 12.221 1.00 36.34 ? 352 LYS A CE 1 ATOM 3360 N NZ . LYS A 1 351 ? 71.572 27.355 13.022 1.00 37.55 ? 352 LYS A NZ 1 ATOM 3361 H H . LYS A 1 351 ? 65.464 26.385 14.181 1.00 12.54 ? 352 LYS A H 1 ATOM 3362 H HZ1 . LYS A 1 351 ? 71.567 28.260 12.508 1.00 37.55 ? 352 LYS A HZ1 1 ATOM 3363 H HZ2 . LYS A 1 351 ? 71.068 27.453 13.931 1.00 37.55 ? 352 LYS A HZ2 1 ATOM 3364 H HZ3 . LYS A 1 351 ? 72.549 27.073 13.255 1.00 37.55 ? 352 LYS A HZ3 1 ATOM 3365 N N . ALA A 1 352 ? 64.458 28.661 11.915 1.00 13.41 ? 353 ALA A N 1 ATOM 3366 C CA . ALA A 1 352 ? 63.668 29.517 11.042 1.00 12.73 ? 353 ALA A CA 1 ATOM 3367 C C . ALA A 1 352 ? 63.331 30.843 11.723 1.00 12.60 ? 353 ALA A C 1 ATOM 3368 O O . ALA A 1 352 ? 63.257 31.884 11.062 1.00 14.11 ? 353 ALA A O 1 ATOM 3369 C CB . ALA A 1 352 ? 62.389 28.793 10.620 1.00 12.46 ? 353 ALA A CB 1 ATOM 3370 H H . ALA A 1 352 ? 64.100 27.785 12.180 1.00 13.41 ? 353 ALA A H 1 ATOM 3371 N N . LEU A 1 353 ? 63.192 30.821 13.048 1.00 12.06 ? 354 LEU A N 1 ATOM 3372 C CA . LEU A 1 353 ? 62.837 32.023 13.810 1.00 13.00 ? 354 LEU A CA 1 ATOM 3373 C C . LEU A 1 353 ? 64.012 32.765 14.443 1.00 14.46 ? 354 LEU A C 1 ATOM 3374 O O . LEU A 1 353 ? 63.927 33.970 14.693 1.00 15.02 ? 354 LEU A O 1 ATOM 3375 C CB . LEU A 1 353 ? 61.840 31.659 14.917 1.00 13.12 ? 354 LEU A CB 1 ATOM 3376 C CG . LEU A 1 353 ? 60.560 30.981 14.427 1.00 12.75 ? 354 LEU A CG 1 ATOM 3377 C CD1 . LEU A 1 353 ? 59.752 30.501 15.610 1.00 13.27 ? 354 LEU A CD1 1 ATOM 3378 C CD2 . LEU A 1 353 ? 59.770 31.958 13.569 1.00 13.00 ? 354 LEU A CD2 1 ATOM 3379 H H . LEU A 1 353 ? 63.340 29.975 13.532 1.00 12.06 ? 354 LEU A H 1 ATOM 3380 N N . TYR A 1 354 ? 65.083 32.036 14.730 1.00 14.85 ? 355 TYR A N 1 ATOM 3381 C CA . TYR A 1 354 ? 66.275 32.586 15.359 1.00 15.37 ? 355 TYR A CA 1 ATOM 3382 C C . TYR A 1 354 ? 67.454 31.872 14.697 1.00 15.83 ? 355 TYR A C 1 ATOM 3383 O O . TYR A 1 354 ? 67.800 30.751 15.069 1.00 14.28 ? 355 TYR A O 1 ATOM 3384 C CB . TYR A 1 354 ? 66.213 32.276 16.853 1.00 16.08 ? 355 TYR A CB 1 ATOM 3385 C CG . TYR A 1 354 ? 67.443 32.667 17.631 1.00 19.07 ? 355 TYR A CG 1 ATOM 3386 C CD1 . TYR A 1 354 ? 67.808 34.008 17.767 1.00 20.16 ? 355 TYR A CD1 1 ATOM 3387 C CD2 . TYR A 1 354 ? 68.251 31.693 18.226 1.00 19.46 ? 355 TYR A CD2 1 ATOM 3388 C CE1 . TYR A 1 354 ? 68.956 34.374 18.480 1.00 23.53 ? 355 TYR A CE1 1 ATOM 3389 C CE2 . TYR A 1 354 ? 69.398 32.045 18.940 1.00 21.29 ? 355 TYR A CE2 1 ATOM 3390 C CZ . TYR A 1 354 ? 69.747 33.386 19.062 1.00 22.47 ? 355 TYR A CZ 1 ATOM 3391 O OH . TYR A 1 354 ? 70.879 33.738 19.765 1.00 25.67 ? 355 TYR A OH 1 ATOM 3392 H H . TYR A 1 354 ? 65.095 31.082 14.524 1.00 14.85 ? 355 TYR A H 1 ATOM 3393 H HH . TYR A 1 354 ? 70.931 34.703 19.874 1.00 25.67 ? 355 TYR A HH 1 ATOM 3394 N N . SER A 1 355 ? 68.074 32.520 13.713 1.00 16.80 ? 356 SER A N 1 ATOM 3395 C CA . SER A 1 355 ? 69.176 31.904 12.968 1.00 19.92 ? 356 SER A CA 1 ATOM 3396 C C . SER A 1 355 ? 70.363 31.387 13.775 1.00 18.74 ? 356 SER A C 1 ATOM 3397 O O . SER A 1 355 ? 71.060 30.481 13.326 1.00 20.86 ? 356 SER A O 1 ATOM 3398 C CB . SER A 1 355 ? 69.645 32.816 11.825 1.00 20.97 ? 356 SER A CB 1 ATOM 3399 O OG . SER A 1 355 ? 69.689 34.167 12.241 1.00 28.03 ? 356 SER A OG 1 ATOM 3400 H H . SER A 1 355 ? 67.802 33.427 13.463 1.00 16.80 ? 356 SER A H 1 ATOM 3401 H HG . SER A 1 355 ? 70.600 34.397 12.484 1.00 28.03 ? 356 SER A HG 1 ATOM 3402 N N . GLY A 1 356 ? 70.569 31.926 14.970 1.00 18.87 ? 357 GLY A N 1 ATOM 3403 C CA . GLY A 1 356 ? 71.669 31.466 15.799 1.00 19.40 ? 357 GLY A CA 1 ATOM 3404 C C . GLY A 1 356 ? 71.348 30.229 16.628 1.00 19.78 ? 357 GLY A C 1 ATOM 3405 O O . GLY A 1 356 ? 72.182 29.794 17.420 1.00 21.02 ? 357 GLY A O 1 ATOM 3406 H H . GLY A 1 356 ? 69.985 32.639 15.288 1.00 18.87 ? 357 GLY A H 1 ATOM 3407 N N . ALA A 1 357 ? 70.164 29.644 16.432 1.00 17.68 ? 358 ALA A N 1 ATOM 3408 C CA . ALA A 1 357 ? 69.750 28.463 17.196 1.00 15.95 ? 358 ALA A CA 1 ATOM 3409 C C . ALA A 1 357 ? 70.730 27.300 17.088 1.00 14.37 ? 358 ALA A C 1 ATOM 3410 O O . ALA A 1 357 ? 71.254 27.022 16.007 1.00 15.47 ? 358 ALA A O 1 ATOM 3411 C CB . ALA A 1 357 ? 68.357 28.008 16.755 1.00 14.87 ? 358 ALA A CB 1 ATOM 3412 H H . ALA A 1 357 ? 69.536 30.004 15.778 1.00 17.68 ? 358 ALA A H 1 ATOM 3413 N N . ALA A 1 358 ? 70.964 26.617 18.203 1.00 11.55 ? 359 ALA A N 1 ATOM 3414 C CA . ALA A 1 358 ? 71.850 25.461 18.238 1.00 11.77 ? 359 ALA A CA 1 ATOM 3415 C C . ALA A 1 358 ? 71.304 24.517 19.296 1.00 10.54 ? 359 ALA A C 1 ATOM 3416 O O . ALA A 1 358 ? 70.674 24.965 20.248 1.00 11.00 ? 359 ALA A O 1 ATOM 3417 C CB . ALA A 1 358 ? 73.276 25.890 18.594 1.00 11.72 ? 359 ALA A CB 1 ATOM 3418 H H . ALA A 1 358 ? 70.530 26.915 19.037 1.00 11.55 ? 359 ALA A H 1 ATOM 3419 N N . THR A 1 359 ? 71.533 23.217 19.147 1.00 10.61 ? 360 THR A N 1 ATOM 3420 C CA . THR A 1 359 ? 71.032 22.269 20.133 1.00 11.49 ? 360 THR A CA 1 ATOM 3421 C C . THR A 1 359 ? 71.620 22.549 21.517 1.00 12.22 ? 360 THR A C 1 ATOM 3422 O O . THR A 1 359 ? 72.755 23.031 21.642 1.00 11.57 ? 360 THR A O 1 ATOM 3423 C CB . THR A 1 359 ? 71.327 20.814 19.728 1.00 11.99 ? 360 THR A CB 1 ATOM 3424 O OG1 . THR A 1 359 ? 72.728 20.658 19.486 1.00 16.98 ? 360 THR A OG1 1 ATOM 3425 C CG2 . THR A 1 359 ? 70.579 20.458 18.458 1.00 10.93 ? 360 THR A CG2 1 ATOM 3426 H H . THR A 1 359 ? 72.061 22.881 18.386 1.00 10.61 ? 360 THR A H 1 ATOM 3427 H HG1 . THR A 1 359 ? 73.216 20.887 20.287 1.00 16.98 ? 360 THR A HG1 1 ATOM 3428 N N . GLY A 1 360 ? 70.834 22.282 22.551 1.00 11.16 ? 361 GLY A N 1 ATOM 3429 C CA . GLY A 1 360 ? 71.289 22.511 23.909 1.00 10.58 ? 361 GLY A CA 1 ATOM 3430 C C . GLY A 1 360 ? 70.121 22.858 24.813 1.00 11.39 ? 361 GLY A C 1 ATOM 3431 O O . GLY A 1 360 ? 68.970 22.883 24.361 1.00 9.92 ? 361 GLY A O 1 ATOM 3432 H H . GLY A 1 360 ? 69.926 21.940 22.421 1.00 11.16 ? 361 GLY A H 1 ATOM 3433 N N . THR A 1 361 ? 70.420 23.135 26.076 1.00 10.04 ? 362 THR A N 1 ATOM 3434 C CA . THR A 1 361 ? 69.411 23.490 27.071 1.00 10.65 ? 362 THR A CA 1 ATOM 3435 C C . THR A 1 361 ? 69.614 24.946 27.434 1.00 9.96 ? 362 THR A C 1 ATOM 3436 O O . THR A 1 361 ? 70.729 25.353 27.763 1.00 9.67 ? 362 THR A O 1 ATOM 3437 C CB . THR A 1 361 ? 69.571 22.622 28.318 1.00 12.55 ? 362 THR A CB 1 ATOM 3438 O OG1 . THR A 1 361 ? 69.435 21.249 27.938 1.00 16.50 ? 362 THR A OG1 1 ATOM 3439 C CG2 . THR A 1 361 ? 68.506 22.966 29.357 1.00 15.29 ? 362 THR A CG2 1 ATOM 3440 H H . THR A 1 361 ? 71.359 23.115 26.368 1.00 10.04 ? 362 THR A H 1 ATOM 3441 H HG1 . THR A 1 361 ? 68.543 21.118 27.586 1.00 16.50 ? 362 THR A HG1 1 ATOM 3442 N N . TYR A 1 362 ? 68.546 25.728 27.373 1.00 7.75 ? 363 TYR A N 1 ATOM 3443 C CA . TYR A 1 362 ? 68.628 27.157 27.652 1.00 8.20 ? 363 TYR A CA 1 ATOM 3444 C C . TYR A 1 362 ? 67.757 27.580 28.808 1.00 9.46 ? 363 TYR A C 1 ATOM 3445 O O . TYR A 1 362 ? 66.528 27.472 28.745 1.00 9.56 ? 363 TYR A O 1 ATOM 3446 C CB . TYR A 1 362 ? 68.279 27.932 26.389 1.00 6.99 ? 363 TYR A CB 1 ATOM 3447 C CG . TYR A 1 362 ? 69.176 27.538 25.242 1.00 8.32 ? 363 TYR A CG 1 ATOM 3448 C CD1 . TYR A 1 362 ? 70.433 28.125 25.095 1.00 8.98 ? 363 TYR A CD1 1 ATOM 3449 C CD2 . TYR A 1 362 ? 68.801 26.541 24.329 1.00 9.06 ? 363 TYR A CD2 1 ATOM 3450 C CE1 . TYR A 1 362 ? 71.297 27.738 24.076 1.00 8.47 ? 363 TYR A CE1 1 ATOM 3451 C CE2 . TYR A 1 362 ? 69.666 26.138 23.296 1.00 8.73 ? 363 TYR A CE2 1 ATOM 3452 C CZ . TYR A 1 362 ? 70.920 26.756 23.183 1.00 9.94 ? 363 TYR A CZ 1 ATOM 3453 O OH . TYR A 1 362 ? 71.802 26.414 22.185 1.00 10.34 ? 363 TYR A OH 1 ATOM 3454 H H . TYR A 1 362 ? 67.680 25.353 27.155 1.00 7.75 ? 363 TYR A H 1 ATOM 3455 H HH . TYR A 1 362 ? 71.481 25.610 21.756 1.00 10.34 ? 363 TYR A HH 1 ATOM 3456 N N . SER A 1 363 ? 68.390 28.051 29.876 1.00 8.69 ? 364 SER A N 1 ATOM 3457 C CA . SER A 1 363 ? 67.645 28.471 31.053 1.00 9.98 ? 364 SER A CA 1 ATOM 3458 C C . SER A 1 363 ? 66.878 29.761 30.759 1.00 10.51 ? 364 SER A C 1 ATOM 3459 O O . SER A 1 363 ? 67.253 30.542 29.878 1.00 9.51 ? 364 SER A O 1 ATOM 3460 C CB . SER A 1 363 ? 68.586 28.669 32.234 1.00 10.25 ? 364 SER A CB 1 ATOM 3461 O OG . SER A 1 363 ? 69.384 29.820 32.013 1.00 16.41 ? 364 SER A OG 1 ATOM 3462 H H . SER A 1 363 ? 69.369 28.156 29.863 1.00 8.69 ? 364 SER A H 1 ATOM 3463 H HG . SER A 1 363 ? 69.935 29.892 32.807 1.00 16.41 ? 364 SER A HG 1 ATOM 3464 N N . SER A 1 364 ? 65.831 30.015 31.535 1.00 10.82 ? 365 SER A N 1 ATOM 3465 C CA . SER A 1 364 ? 65.014 31.204 31.317 1.00 11.20 ? 365 SER A CA 1 ATOM 3466 C C . SER A 1 364 ? 65.718 32.545 31.538 1.00 12.03 ? 365 SER A C 1 ATOM 3467 O O . SER A 1 364 ? 65.192 33.581 31.147 1.00 12.43 ? 365 SER A O 1 ATOM 3468 C CB . SER A 1 364 ? 63.718 31.124 32.135 1.00 12.25 ? 365 SER A CB 1 ATOM 3469 O OG . SER A 1 364 ? 63.988 31.029 33.525 1.00 14.97 ? 365 SER A OG 1 ATOM 3470 H H . SER A 1 364 ? 65.596 29.409 32.268 1.00 10.82 ? 365 SER A H 1 ATOM 3471 H HG . SER A 1 364 ? 63.114 31.070 33.958 1.00 14.97 ? 365 SER A HG 1 ATOM 3472 N N . SER A 1 365 ? 66.906 32.529 32.144 1.00 11.20 ? 366 SER A N 1 ATOM 3473 C CA . SER A 1 365 ? 67.666 33.761 32.375 1.00 10.88 ? 366 SER A CA 1 ATOM 3474 C C . SER A 1 365 ? 68.718 34.010 31.292 1.00 10.44 ? 366 SER A C 1 ATOM 3475 O O . SER A 1 365 ? 69.329 35.080 31.253 1.00 10.88 ? 366 SER A O 1 ATOM 3476 C CB . SER A 1 365 ? 68.346 33.732 33.755 1.00 11.10 ? 366 SER A CB 1 ATOM 3477 O OG . SER A 1 365 ? 69.174 32.578 33.908 1.00 12.78 ? 366 SER A OG 1 ATOM 3478 H H . SER A 1 365 ? 67.304 31.693 32.459 1.00 11.20 ? 366 SER A H 1 ATOM 3479 H HG . SER A 1 365 ? 69.350 32.416 34.841 1.00 12.78 ? 366 SER A HG 1 ATOM 3480 N N . SER A 1 366 ? 68.915 33.031 30.412 1.00 9.17 ? 367 SER A N 1 ATOM 3481 C CA . SER A 1 366 ? 69.915 33.136 29.353 1.00 8.61 ? 367 SER A CA 1 ATOM 3482 C C . SER A 1 366 ? 69.521 34.062 28.221 1.00 9.18 ? 367 SER A C 1 ATOM 3483 O O . SER A 1 366 ? 68.330 34.309 27.976 1.00 9.50 ? 367 SER A O 1 ATOM 3484 C CB . SER A 1 366 ? 70.264 31.750 28.787 1.00 7.46 ? 367 SER A CB 1 ATOM 3485 O OG . SER A 1 366 ? 69.196 31.180 28.033 1.00 10.83 ? 367 SER A OG 1 ATOM 3486 H H . SER A 1 366 ? 68.378 32.214 30.460 1.00 9.17 ? 367 SER A H 1 ATOM 3487 H HG . SER A 1 366 ? 68.572 30.816 28.673 1.00 10.83 ? 367 SER A HG 1 ATOM 3488 N N A SER A 1 367 ? 70.520 34.572 27.512 0.58 8.86 ? 368 SER A N 1 ATOM 3489 N N B SER A 1 367 ? 70.533 34.550 27.512 0.42 8.44 ? 368 SER A N 1 ATOM 3490 C CA A SER A 1 367 ? 70.268 35.460 26.388 0.58 9.50 ? 368 SER A CA 1 ATOM 3491 C CA B SER A 1 367 ? 70.338 35.443 26.382 0.42 8.40 ? 368 SER A CA 1 ATOM 3492 C C A SER A 1 367 ? 69.556 34.714 25.265 0.58 8.82 ? 368 SER A C 1 ATOM 3493 C C B SER A 1 367 ? 69.577 34.718 25.274 0.42 8.16 ? 368 SER A C 1 ATOM 3494 O O A SER A 1 367 ? 68.636 35.248 24.650 0.58 8.54 ? 368 SER A O 1 ATOM 3495 O O B SER A 1 367 ? 68.625 35.253 24.712 0.42 7.91 ? 368 SER A O 1 ATOM 3496 C CB A SER A 1 367 ? 71.578 36.060 25.879 0.58 11.75 ? 368 SER A CB 1 ATOM 3497 C CB B SER A 1 367 ? 71.700 35.911 25.854 0.42 9.14 ? 368 SER A CB 1 ATOM 3498 O OG A SER A 1 367 ? 72.181 36.846 26.887 0.58 15.32 ? 368 SER A OG 1 ATOM 3499 O OG B SER A 1 367 ? 71.563 36.786 24.749 0.42 9.64 ? 368 SER A OG 1 ATOM 3500 H H A SER A 1 367 ? 71.455 34.351 27.734 0.58 8.86 ? 368 SER A H 1 ATOM 3501 H H B SER A 1 367 ? 71.453 34.270 27.735 0.42 8.44 ? 368 SER A H 1 ATOM 3502 H HG A SER A 1 367 ? 73.005 37.195 26.517 0.58 15.32 ? 368 SER A HG 1 ATOM 3503 H HG B SER A 1 367 ? 71.376 37.680 25.071 0.42 9.64 ? 368 SER A HG 1 ATOM 3504 N N . THR A 1 368 ? 69.978 33.482 24.994 1.00 8.09 ? 369 THR A N 1 ATOM 3505 C CA . THR A 1 368 ? 69.351 32.683 23.947 1.00 8.47 ? 369 THR A CA 1 ATOM 3506 C C . THR A 1 368 ? 67.861 32.474 24.223 1.00 9.55 ? 369 THR A C 1 ATOM 3507 O O . THR A 1 368 ? 67.036 32.610 23.312 1.00 9.19 ? 369 THR A O 1 ATOM 3508 C CB . THR A 1 368 ? 70.046 31.320 23.782 1.00 9.33 ? 369 THR A CB 1 ATOM 3509 O OG1 . THR A 1 368 ? 71.404 31.537 23.390 1.00 10.03 ? 369 THR A OG1 1 ATOM 3510 C CG2 . THR A 1 368 ? 69.356 30.477 22.706 1.00 9.07 ? 369 THR A CG2 1 ATOM 3511 H H . THR A 1 368 ? 70.723 33.102 25.505 1.00 8.09 ? 369 THR A H 1 ATOM 3512 H HG1 . THR A 1 368 ? 71.885 31.994 24.098 1.00 10.03 ? 369 THR A HG1 1 ATOM 3513 N N . TYR A 1 369 ? 67.522 32.138 25.466 1.00 8.49 ? 370 TYR A N 1 ATOM 3514 C CA . TYR A 1 369 ? 66.122 31.930 25.838 1.00 9.78 ? 370 TYR A CA 1 ATOM 3515 C C . TYR A 1 369 ? 65.323 33.196 25.517 1.00 9.28 ? 370 TYR A C 1 ATOM 3516 O O . TYR A 1 369 ? 64.302 33.134 24.828 1.00 8.30 ? 370 TYR A O 1 ATOM 3517 C CB . TYR A 1 369 ? 66.012 31.593 27.325 1.00 10.12 ? 370 TYR A CB 1 ATOM 3518 C CG . TYR A 1 369 ? 64.597 31.377 27.828 1.00 11.25 ? 370 TYR A CG 1 ATOM 3519 C CD1 . TYR A 1 369 ? 63.795 32.458 28.212 1.00 10.19 ? 370 TYR A CD1 1 ATOM 3520 C CD2 . TYR A 1 369 ? 64.074 30.088 27.955 1.00 10.72 ? 370 TYR A CD2 1 ATOM 3521 C CE1 . TYR A 1 369 ? 62.503 32.254 28.711 1.00 10.80 ? 370 TYR A CE1 1 ATOM 3522 C CE2 . TYR A 1 369 ? 62.794 29.875 28.455 1.00 10.99 ? 370 TYR A CE2 1 ATOM 3523 C CZ . TYR A 1 369 ? 62.017 30.954 28.829 1.00 11.42 ? 370 TYR A CZ 1 ATOM 3524 O OH . TYR A 1 369 ? 60.758 30.715 29.333 1.00 13.38 ? 370 TYR A OH 1 ATOM 3525 H H . TYR A 1 369 ? 68.209 31.983 26.154 1.00 8.49 ? 370 TYR A H 1 ATOM 3526 H HH . TYR A 1 369 ? 60.632 29.759 29.384 1.00 13.38 ? 370 TYR A HH 1 ATOM 3527 N N A SER A 1 370 ? 65.796 34.341 26.004 0.60 9.86 ? 371 SER A N 1 ATOM 3528 N N B SER A 1 370 ? 65.812 34.336 25.996 0.40 9.26 ? 371 SER A N 1 ATOM 3529 C CA A SER A 1 370 ? 65.126 35.615 25.764 0.60 10.39 ? 371 SER A CA 1 ATOM 3530 C CA B SER A 1 370 ? 65.159 35.618 25.768 0.40 9.23 ? 371 SER A CA 1 ATOM 3531 C C A SER A 1 370 ? 64.902 35.903 24.278 0.60 10.12 ? 371 SER A C 1 ATOM 3532 C C B SER A 1 370 ? 64.900 35.876 24.283 0.40 9.56 ? 371 SER A C 1 ATOM 3533 O O A SER A 1 370 ? 63.829 36.377 23.889 0.60 9.80 ? 371 SER A O 1 ATOM 3534 O O B SER A 1 370 ? 63.791 36.252 23.895 0.40 9.51 ? 371 SER A O 1 ATOM 3535 C CB A SER A 1 370 ? 65.920 36.755 26.401 0.60 12.62 ? 371 SER A CB 1 ATOM 3536 C CB B SER A 1 370 ? 66.017 36.747 26.345 0.40 9.87 ? 371 SER A CB 1 ATOM 3537 O OG A SER A 1 370 ? 65.997 36.583 27.804 0.60 17.76 ? 371 SER A OG 1 ATOM 3538 O OG B SER A 1 370 ? 65.395 38.004 26.157 0.40 10.00 ? 371 SER A OG 1 ATOM 3539 H H A SER A 1 370 ? 66.591 34.339 26.582 0.60 9.86 ? 371 SER A H 1 ATOM 3540 H H B SER A 1 370 ? 66.634 34.317 26.530 0.40 9.26 ? 371 SER A H 1 ATOM 3541 H HG A SER A 1 370 ? 66.478 37.357 28.125 0.60 17.76 ? 371 SER A HG 1 ATOM 3542 H HG B SER A 1 370 ? 66.033 38.687 26.404 0.40 10.00 ? 371 SER A HG 1 ATOM 3543 N N . SER A 1 371 ? 65.914 35.649 23.456 1.00 9.74 ? 372 SER A N 1 ATOM 3544 C CA . SER A 1 371 ? 65.799 35.872 22.017 1.00 10.56 ? 372 SER A CA 1 ATOM 3545 C C . SER A 1 371 ? 64.764 34.949 21.367 1.00 10.67 ? 372 SER A C 1 ATOM 3546 O O . SER A 1 371 ? 63.955 35.389 20.549 1.00 10.76 ? 372 SER A O 1 ATOM 3547 C CB . SER A 1 371 ? 67.157 35.690 21.339 1.00 12.50 ? 372 SER A CB 1 ATOM 3548 O OG . SER A 1 371 ? 68.058 36.697 21.775 1.00 14.41 ? 372 SER A OG 1 ATOM 3549 H H . SER A 1 371 ? 66.765 35.325 23.819 1.00 9.74 ? 372 SER A H 1 ATOM 3550 H HG . SER A 1 371 ? 68.954 36.476 21.481 1.00 14.41 ? 372 SER A HG 1 ATOM 3551 N N . ILE A 1 372 ? 64.800 33.675 21.734 1.00 9.40 ? 373 ILE A N 1 ATOM 3552 C CA . ILE A 1 372 ? 63.874 32.699 21.184 1.00 10.44 ? 373 ILE A CA 1 ATOM 3553 C C . ILE A 1 372 ? 62.419 32.950 21.596 1.00 10.05 ? 373 ILE A C 1 ATOM 3554 O O . ILE A 1 372 ? 61.541 32.951 20.741 1.00 10.93 ? 373 ILE A O 1 ATOM 3555 C CB . ILE A 1 372 ? 64.308 31.256 21.544 1.00 11.23 ? 373 ILE A CB 1 ATOM 3556 C CG1 . ILE A 1 372 ? 65.577 30.902 20.763 1.00 12.42 ? 373 ILE A CG1 1 ATOM 3557 C CG2 . ILE A 1 372 ? 63.188 30.254 21.248 1.00 10.92 ? 373 ILE A CG2 1 ATOM 3558 C CD1 . ILE A 1 372 ? 66.187 29.580 21.153 1.00 14.13 ? 373 ILE A CD1 1 ATOM 3559 H H . ILE A 1 372 ? 65.456 33.371 22.397 1.00 9.40 ? 373 ILE A H 1 ATOM 3560 N N . VAL A 1 373 ? 62.146 33.163 22.882 1.00 9.84 ? 374 VAL A N 1 ATOM 3561 C CA . VAL A 1 373 ? 60.754 33.393 23.289 1.00 9.86 ? 374 VAL A CA 1 ATOM 3562 C C . VAL A 1 373 ? 60.167 34.660 22.657 1.00 11.03 ? 374 VAL A C 1 ATOM 3563 O O . VAL A 1 373 ? 58.987 34.687 22.304 1.00 11.25 ? 374 VAL A O 1 ATOM 3564 C CB . VAL A 1 373 ? 60.531 33.313 24.830 1.00 11.20 ? 374 VAL A CB 1 ATOM 3565 C CG1 . VAL A 1 373 ? 60.977 31.940 25.346 1.00 9.39 ? 374 VAL A CG1 1 ATOM 3566 C CG2 . VAL A 1 373 ? 61.233 34.434 25.562 1.00 11.58 ? 374 VAL A CG2 1 ATOM 3567 H H . VAL A 1 373 ? 62.864 33.144 23.551 1.00 9.84 ? 374 VAL A H 1 ATOM 3568 N N A SER A 1 374 ? 60.991 35.692 22.488 0.56 10.00 ? 375 SER A N 1 ATOM 3569 N N B SER A 1 374 ? 60.988 35.696 22.494 0.44 9.89 ? 375 SER A N 1 ATOM 3570 C CA A SER A 1 374 ? 60.532 36.927 21.864 0.56 11.04 ? 375 SER A CA 1 ATOM 3571 C CA B SER A 1 374 ? 60.528 36.932 21.870 0.44 10.37 ? 375 SER A CA 1 ATOM 3572 C C A SER A 1 374 ? 60.125 36.636 20.417 0.56 10.32 ? 375 SER A C 1 ATOM 3573 C C B SER A 1 374 ? 60.144 36.667 20.409 0.44 9.96 ? 375 SER A C 1 ATOM 3574 O O A SER A 1 374 ? 59.067 37.077 19.958 0.56 10.94 ? 375 SER A O 1 ATOM 3575 O O B SER A 1 374 ? 59.122 37.166 19.929 0.44 10.56 ? 375 SER A O 1 ATOM 3576 C CB A SER A 1 374 ? 61.646 37.979 21.868 0.56 12.21 ? 375 SER A CB 1 ATOM 3577 C CB B SER A 1 374 ? 61.617 38.009 21.940 0.44 11.01 ? 375 SER A CB 1 ATOM 3578 O OG A SER A 1 374 ? 61.199 39.186 21.272 0.56 15.21 ? 375 SER A OG 1 ATOM 3579 O OG B SER A 1 374 ? 61.886 38.376 23.283 0.44 11.99 ? 375 SER A OG 1 ATOM 3580 H H A SER A 1 374 ? 61.920 35.623 22.789 0.56 10.00 ? 375 SER A H 1 ATOM 3581 H H B SER A 1 374 ? 61.916 35.657 22.818 0.44 9.89 ? 375 SER A H 1 ATOM 3582 H HG A SER A 1 374 ? 61.976 39.673 20.962 0.56 15.21 ? 375 SER A HG 1 ATOM 3583 H HG B SER A 1 374 ? 61.113 38.666 23.785 0.44 11.99 ? 375 SER A HG 1 ATOM 3584 N N . ALA A 1 375 ? 60.964 35.884 19.713 1.00 9.10 ? 376 ALA A N 1 ATOM 3585 C CA . ALA A 1 375 ? 60.713 35.538 18.321 1.00 8.61 ? 376 ALA A CA 1 ATOM 3586 C C . ALA A 1 375 ? 59.460 34.653 18.199 1.00 9.75 ? 376 ALA A C 1 ATOM 3587 O O . ALA A 1 375 ? 58.657 34.847 17.295 1.00 10.42 ? 376 ALA A O 1 ATOM 3588 C CB . ALA A 1 375 ? 61.935 34.814 17.722 1.00 9.61 ? 376 ALA A CB 1 ATOM 3589 H H . ALA A 1 375 ? 61.772 35.539 20.142 1.00 9.10 ? 376 ALA A H 1 ATOM 3590 N N . VAL A 1 376 ? 59.307 33.685 19.105 1.00 8.24 ? 377 VAL A N 1 ATOM 3591 C CA . VAL A 1 376 ? 58.145 32.786 19.080 1.00 8.25 ? 377 VAL A CA 1 ATOM 3592 C C . VAL A 1 376 ? 56.849 33.547 19.351 1.00 9.00 ? 377 VAL A C 1 ATOM 3593 O O . VAL A 1 376 ? 55.846 33.337 18.666 1.00 9.90 ? 377 VAL A O 1 ATOM 3594 C CB . VAL A 1 376 ? 58.311 31.594 20.073 1.00 7.06 ? 377 VAL A CB 1 ATOM 3595 C CG1 . VAL A 1 376 ? 57.007 30.767 20.164 1.00 6.72 ? 377 VAL A CG1 1 ATOM 3596 C CG2 . VAL A 1 376 ? 59.466 30.692 19.609 1.00 6.43 ? 377 VAL A CG2 1 ATOM 3597 H H . VAL A 1 376 ? 59.988 33.541 19.793 1.00 8.24 ? 377 VAL A H 1 ATOM 3598 N N . LYS A 1 377 ? 56.880 34.469 20.307 1.00 9.05 ? 378 LYS A N 1 ATOM 3599 C CA . LYS A 1 377 ? 55.693 35.256 20.636 1.00 10.93 ? 378 LYS A CA 1 ATOM 3600 C C . LYS A 1 377 ? 55.274 36.119 19.444 1.00 11.78 ? 378 LYS A C 1 ATOM 3601 O O . LYS A 1 377 ? 54.087 36.218 19.127 1.00 9.27 ? 378 LYS A O 1 ATOM 3602 C CB . LYS A 1 377 ? 55.959 36.131 21.866 1.00 11.72 ? 378 LYS A CB 1 ATOM 3603 C CG . LYS A 1 377 ? 54.821 37.057 22.268 1.00 16.48 ? 378 LYS A CG 1 ATOM 3604 C CD . LYS A 1 377 ? 53.557 36.282 22.635 1.00 22.09 ? 378 LYS A CD 1 ATOM 3605 C CE . LYS A 1 377 ? 52.631 37.094 23.547 1.00 24.03 ? 378 LYS A CE 1 ATOM 3606 N NZ . LYS A 1 377 ? 52.127 38.335 22.906 1.00 26.03 ? 378 LYS A NZ 1 ATOM 3607 H H . LYS A 1 377 ? 57.701 34.616 20.819 1.00 9.05 ? 378 LYS A H 1 ATOM 3608 H HZ1 . LYS A 1 377 ? 51.616 38.100 22.027 1.00 26.03 ? 378 LYS A HZ1 1 ATOM 3609 H HZ2 . LYS A 1 377 ? 51.491 38.821 23.579 1.00 26.03 ? 378 LYS A HZ2 1 ATOM 3610 H HZ3 . LYS A 1 377 ? 52.917 38.963 22.658 1.00 26.03 ? 378 LYS A HZ3 1 ATOM 3611 N N . THR A 1 378 ? 56.248 36.748 18.791 1.00 11.05 ? 379 THR A N 1 ATOM 3612 C CA . THR A 1 378 ? 55.971 37.601 17.629 1.00 11.73 ? 379 THR A CA 1 ATOM 3613 C C . THR A 1 378 ? 55.365 36.780 16.480 1.00 9.89 ? 379 THR A C 1 ATOM 3614 O O . THR A 1 378 ? 54.421 37.221 15.826 1.00 8.39 ? 379 THR A O 1 ATOM 3615 C CB . THR A 1 378 ? 57.261 38.335 17.147 1.00 12.71 ? 379 THR A CB 1 ATOM 3616 O OG1 . THR A 1 378 ? 57.769 39.153 18.212 1.00 14.17 ? 379 THR A OG1 1 ATOM 3617 C CG2 . THR A 1 378 ? 56.958 39.227 15.945 1.00 13.82 ? 379 THR A CG2 1 ATOM 3618 H H . THR A 1 378 ? 57.178 36.656 19.100 1.00 11.05 ? 379 THR A H 1 ATOM 3619 H HG1 . THR A 1 378 ? 57.962 38.570 18.964 1.00 14.17 ? 379 THR A HG1 1 ATOM 3620 N N . PHE A 1 379 ? 55.909 35.582 16.274 1.00 8.08 ? 380 PHE A N 1 ATOM 3621 C CA . PHE A 1 379 ? 55.461 34.645 15.246 1.00 8.77 ? 380 PHE A CA 1 ATOM 3622 C C . PHE A 1 379 ? 54.006 34.235 15.534 1.00 8.57 ? 380 PHE A C 1 ATOM 3623 O O . PHE A 1 379 ? 53.157 34.285 14.639 1.00 9.48 ? 380 PHE A O 1 ATOM 3624 C CB . PHE A 1 379 ? 56.383 33.422 15.277 1.00 7.47 ? 380 PHE A CB 1 ATOM 3625 C CG . PHE A 1 379 ? 56.149 32.413 14.173 1.00 7.74 ? 380 PHE A CG 1 ATOM 3626 C CD1 . PHE A 1 379 ? 56.039 32.805 12.842 1.00 9.28 ? 380 PHE A CD1 1 ATOM 3627 C CD2 . PHE A 1 379 ? 56.140 31.045 14.465 1.00 6.65 ? 380 PHE A CD2 1 ATOM 3628 C CE1 . PHE A 1 379 ? 55.927 31.847 11.816 1.00 9.20 ? 380 PHE A CE1 1 ATOM 3629 C CE2 . PHE A 1 379 ? 56.030 30.088 13.449 1.00 7.40 ? 380 PHE A CE2 1 ATOM 3630 C CZ . PHE A 1 379 ? 55.926 30.493 12.121 1.00 8.92 ? 380 PHE A CZ 1 ATOM 3631 H H . PHE A 1 379 ? 56.659 35.311 16.846 1.00 8.08 ? 380 PHE A H 1 ATOM 3632 N N . ALA A 1 380 ? 53.721 33.851 16.781 1.00 7.15 ? 381 ALA A N 1 ATOM 3633 C CA . ALA A 1 380 ? 52.371 33.450 17.196 1.00 6.99 ? 381 ALA A CA 1 ATOM 3634 C C . ALA A 1 380 ? 51.369 34.595 16.997 1.00 7.93 ? 381 ALA A C 1 ATOM 3635 O O . ALA A 1 380 ? 50.296 34.389 16.434 1.00 8.41 ? 381 ALA A O 1 ATOM 3636 C CB . ALA A 1 380 ? 52.375 32.990 18.662 1.00 7.08 ? 381 ALA A CB 1 ATOM 3637 H H . ALA A 1 380 ? 54.440 33.819 17.442 1.00 7.15 ? 381 ALA A H 1 ATOM 3638 N N . ASP A 1 381 ? 51.727 35.797 17.442 1.00 6.76 ? 382 ASP A N 1 ATOM 3639 C CA . ASP A 1 381 ? 50.869 36.968 17.283 1.00 8.35 ? 382 ASP A CA 1 ATOM 3640 C C . ASP A 1 381 ? 50.608 37.241 15.804 1.00 9.18 ? 382 ASP A C 1 ATOM 3641 O O . ASP A 1 381 ? 49.567 37.793 15.440 1.00 8.96 ? 382 ASP A O 1 ATOM 3642 C CB . ASP A 1 381 ? 51.517 38.204 17.913 1.00 9.65 ? 382 ASP A CB 1 ATOM 3643 C CG . ASP A 1 381 ? 51.289 38.297 19.412 1.00 12.22 ? 382 ASP A CG 1 ATOM 3644 O OD1 . ASP A 1 381 ? 50.750 37.359 20.026 1.00 11.42 ? 382 ASP A OD1 1 ATOM 3645 O OD2 . ASP A 1 381 ? 51.658 39.332 19.999 1.00 13.00 ? 382 ASP A OD2 1 ATOM 3646 H H . ASP A 1 381 ? 52.584 35.894 17.903 1.00 6.76 ? 382 ASP A H 1 ATOM 3647 N N . GLY A 1 382 ? 51.574 36.873 14.964 1.00 8.82 ? 383 GLY A N 1 ATOM 3648 C CA . GLY A 1 382 ? 51.447 37.060 13.530 1.00 8.56 ? 383 GLY A CA 1 ATOM 3649 C C . GLY A 1 382 ? 50.246 36.314 12.979 1.00 9.00 ? 383 GLY A C 1 ATOM 3650 O O . GLY A 1 382 ? 49.530 36.838 12.115 1.00 9.07 ? 383 GLY A O 1 ATOM 3651 H H . GLY A 1 382 ? 52.405 36.479 15.308 1.00 8.82 ? 383 GLY A H 1 ATOM 3652 N N . PHE A 1 383 ? 50.035 35.084 13.445 1.00 6.82 ? 384 PHE A N 1 ATOM 3653 C CA . PHE A 1 383 ? 48.888 34.298 12.990 1.00 7.54 ? 384 PHE A CA 1 ATOM 3654 C C . PHE A 1 383 ? 47.589 34.983 13.403 1.00 7.78 ? 384 PHE A C 1 ATOM 3655 O O . PHE A 1 383 ? 46.629 35.046 12.625 1.00 9.22 ? 384 PHE A O 1 ATOM 3656 C CB . PHE A 1 383 ? 48.930 32.883 13.563 1.00 6.26 ? 384 PHE A CB 1 ATOM 3657 C CG . PHE A 1 383 ? 50.024 32.035 12.988 1.00 7.08 ? 384 PHE A CG 1 ATOM 3658 C CD1 . PHE A 1 383 ? 49.879 31.448 11.733 1.00 7.73 ? 384 PHE A CD1 1 ATOM 3659 C CD2 . PHE A 1 383 ? 51.189 31.801 13.707 1.00 7.50 ? 384 PHE A CD2 1 ATOM 3660 C CE1 . PHE A 1 383 ? 50.883 30.632 11.200 1.00 7.31 ? 384 PHE A CE1 1 ATOM 3661 C CE2 . PHE A 1 383 ? 52.201 30.990 13.190 1.00 7.56 ? 384 PHE A CE2 1 ATOM 3662 C CZ . PHE A 1 383 ? 52.049 30.399 11.932 1.00 7.89 ? 384 PHE A CZ 1 ATOM 3663 H H . PHE A 1 383 ? 50.657 34.699 14.109 1.00 6.82 ? 384 PHE A H 1 ATOM 3664 N N . VAL A 1 384 ? 47.555 35.507 14.621 1.00 8.19 ? 385 VAL A N 1 ATOM 3665 C CA . VAL A 1 384 ? 46.359 36.183 15.092 1.00 9.22 ? 385 VAL A CA 1 ATOM 3666 C C . VAL A 1 384 ? 46.085 37.474 14.304 1.00 9.71 ? 385 VAL A C 1 ATOM 3667 O O . VAL A 1 384 ? 44.929 37.801 14.038 1.00 9.27 ? 385 VAL A O 1 ATOM 3668 C CB . VAL A 1 384 ? 46.396 36.428 16.613 1.00 9.31 ? 385 VAL A CB 1 ATOM 3669 C CG1 . VAL A 1 384 ? 45.073 37.039 17.064 1.00 12.41 ? 385 VAL A CG1 1 ATOM 3670 C CG2 . VAL A 1 384 ? 46.630 35.104 17.348 1.00 10.21 ? 385 VAL A CG2 1 ATOM 3671 H H . VAL A 1 384 ? 48.339 35.423 15.205 1.00 8.19 ? 385 VAL A H 1 ATOM 3672 N N . SER A 1 385 ? 47.136 38.174 13.883 1.00 9.72 ? 386 SER A N 1 ATOM 3673 C CA . SER A 1 385 ? 46.961 39.394 13.085 1.00 11.50 ? 386 SER A CA 1 ATOM 3674 C C . SER A 1 385 ? 46.302 39.106 11.733 1.00 11.55 ? 386 SER A C 1 ATOM 3675 O O . SER A 1 385 ? 45.510 39.914 11.228 1.00 12.09 ? 386 SER A O 1 ATOM 3676 C CB . SER A 1 385 ? 48.304 40.091 12.866 1.00 12.49 ? 386 SER A CB 1 ATOM 3677 O OG . SER A 1 385 ? 48.791 40.573 14.103 1.00 18.80 ? 386 SER A OG 1 ATOM 3678 H H . SER A 1 385 ? 48.043 37.900 14.136 1.00 9.72 ? 386 SER A H 1 ATOM 3679 H HG . SER A 1 385 ? 48.191 41.296 14.360 1.00 18.80 ? 386 SER A HG 1 ATOM 3680 N N . ILE A 1 386 ? 46.637 37.962 11.147 1.00 10.65 ? 387 ILE A N 1 ATOM 3681 C CA . ILE A 1 386 ? 46.068 37.546 9.873 1.00 10.69 ? 387 ILE A CA 1 ATOM 3682 C C . ILE A 1 386 ? 44.558 37.336 10.066 1.00 11.62 ? 387 ILE A C 1 ATOM 3683 O O . ILE A 1 386 ? 43.748 37.722 9.220 1.00 11.29 ? 387 ILE A O 1 ATOM 3684 C CB . ILE A 1 386 ? 46.764 36.264 9.373 1.00 10.82 ? 387 ILE A CB 1 ATOM 3685 C CG1 . ILE A 1 386 ? 48.182 36.608 8.895 1.00 9.96 ? 387 ILE A CG1 1 ATOM 3686 C CG2 . ILE A 1 386 ? 45.965 35.610 8.258 1.00 11.65 ? 387 ILE A CG2 1 ATOM 3687 C CD1 . ILE A 1 386 ? 49.047 35.390 8.623 1.00 10.35 ? 387 ILE A CD1 1 ATOM 3688 H H . ILE A 1 386 ? 47.293 37.377 11.578 1.00 10.65 ? 387 ILE A H 1 ATOM 3689 N N . VAL A 1 387 ? 44.175 36.742 11.190 1.00 10.86 ? 388 VAL A N 1 ATOM 3690 C CA . VAL A 1 387 ? 42.761 36.539 11.492 1.00 10.60 ? 388 VAL A CA 1 ATOM 3691 C C . VAL A 1 387 ? 42.074 37.901 11.644 1.00 11.46 ? 388 VAL A C 1 ATOM 3692 O O . VAL A 1 387 ? 41.025 38.146 11.044 1.00 12.78 ? 388 VAL A O 1 ATOM 3693 C CB . VAL A 1 387 ? 42.591 35.696 12.779 1.00 10.73 ? 388 VAL A CB 1 ATOM 3694 C CG1 . VAL A 1 387 ? 41.168 35.798 13.306 1.00 9.63 ? 388 VAL A CG1 1 ATOM 3695 C CG2 . VAL A 1 387 ? 42.961 34.231 12.486 1.00 9.32 ? 388 VAL A CG2 1 ATOM 3696 H H . VAL A 1 387 ? 44.853 36.425 11.821 1.00 10.86 ? 388 VAL A H 1 ATOM 3697 N N . GLU A 1 388 ? 42.689 38.797 12.408 1.00 12.42 ? 389 GLU A N 1 ATOM 3698 C CA . GLU A 1 388 ? 42.149 40.142 12.616 1.00 14.22 ? 389 GLU A CA 1 ATOM 3699 C C . GLU A 1 388 ? 41.931 40.854 11.287 1.00 14.60 ? 389 GLU A C 1 ATOM 3700 O O . GLU A 1 388 ? 40.903 41.503 11.079 1.00 15.33 ? 389 GLU A O 1 ATOM 3701 C CB . GLU A 1 388 ? 43.098 40.997 13.473 1.00 15.95 ? 389 GLU A CB 1 ATOM 3702 C CG . GLU A 1 388 ? 42.744 42.498 13.470 1.00 19.09 ? 389 GLU A CG 1 ATOM 3703 C CD . GLU A 1 388 ? 43.680 43.364 14.311 1.00 23.37 ? 389 GLU A CD 1 ATOM 3704 O OE1 . GLU A 1 388 ? 44.710 42.857 14.807 1.00 23.57 ? 389 GLU A OE1 1 ATOM 3705 O OE2 . GLU A 1 388 ? 43.376 44.568 14.485 1.00 26.30 ? 389 GLU A OE2 1 ATOM 3706 H H . GLU A 1 388 ? 43.520 38.544 12.865 1.00 12.42 ? 389 GLU A H 1 ATOM 3707 N N . THR A 1 389 ? 42.908 40.727 10.397 1.00 13.51 ? 390 THR A N 1 ATOM 3708 C CA . THR A 1 389 ? 42.871 41.362 9.083 1.00 14.77 ? 390 THR A CA 1 ATOM 3709 C C . THR A 1 389 ? 41.714 40.892 8.194 1.00 14.20 ? 390 THR A C 1 ATOM 3710 O O . THR A 1 389 ? 41.195 41.665 7.387 1.00 15.30 ? 390 THR A O 1 ATOM 3711 C CB . THR A 1 389 ? 44.216 41.114 8.339 1.00 16.66 ? 390 THR A CB 1 ATOM 3712 O OG1 . THR A 1 389 ? 45.290 41.699 9.091 1.00 20.78 ? 390 THR A OG1 1 ATOM 3713 C CG2 . THR A 1 389 ? 44.195 41.701 6.933 1.00 18.42 ? 390 THR A CG2 1 ATOM 3714 H H . THR A 1 389 ? 43.686 40.186 10.635 1.00 13.51 ? 390 THR A H 1 ATOM 3715 H HG1 . THR A 1 389 ? 45.347 41.273 9.951 1.00 20.78 ? 390 THR A HG1 1 ATOM 3716 N N . HIS A 1 390 ? 41.295 39.640 8.348 1.00 12.68 ? 391 HIS A N 1 ATOM 3717 C CA . HIS A 1 390 ? 40.232 39.109 7.507 1.00 13.33 ? 391 HIS A CA 1 ATOM 3718 C C . HIS A 1 390 ? 38.871 38.905 8.158 1.00 13.34 ? 391 HIS A C 1 ATOM 3719 O O . HIS A 1 390 ? 37.935 38.445 7.502 1.00 13.63 ? 391 HIS A O 1 ATOM 3720 C CB . HIS A 1 390 ? 40.711 37.845 6.805 1.00 13.36 ? 391 HIS A CB 1 ATOM 3721 C CG . HIS A 1 390 ? 41.967 38.055 6.014 1.00 16.08 ? 391 HIS A CG 1 ATOM 3722 N ND1 . HIS A 1 390 ? 42.018 38.876 4.910 1.00 16.99 ? 391 HIS A ND1 1 ATOM 3723 C CD2 . HIS A 1 390 ? 43.230 37.618 6.223 1.00 16.31 ? 391 HIS A CD2 1 ATOM 3724 C CE1 . HIS A 1 390 ? 43.266 38.942 4.472 1.00 17.42 ? 391 HIS A CE1 1 ATOM 3725 N NE2 . HIS A 1 390 ? 44.017 38.192 5.250 1.00 17.75 ? 391 HIS A NE2 1 ATOM 3726 H H . HIS A 1 390 ? 41.697 39.069 9.044 1.00 12.68 ? 391 HIS A H 1 ATOM 3727 H HD1 . HIS A 1 390 ? 41.271 39.379 4.510 1.00 16.99 ? 391 HIS A HD1 1 ATOM 3728 H HE2 . HIS A 1 390 ? 44.978 38.076 5.145 1.00 17.75 ? 391 HIS A HE2 1 ATOM 3729 N N . ALA A 1 391 ? 38.761 39.243 9.437 1.00 13.49 ? 392 ALA A N 1 ATOM 3730 C CA . ALA A 1 391 ? 37.491 39.145 10.149 1.00 14.05 ? 392 ALA A CA 1 ATOM 3731 C C . ALA A 1 391 ? 36.603 40.269 9.604 1.00 14.98 ? 392 ALA A C 1 ATOM 3732 O O . ALA A 1 391 ? 37.114 41.264 9.075 1.00 15.21 ? 392 ALA A O 1 ATOM 3733 C CB . ALA A 1 391 ? 37.717 39.346 11.643 1.00 13.89 ? 392 ALA A CB 1 ATOM 3734 H H . ALA A 1 391 ? 39.542 39.564 9.930 1.00 13.49 ? 392 ALA A H 1 ATOM 3735 N N . ALA A 1 392 ? 35.288 40.111 9.693 1.00 14.35 ? 393 ALA A N 1 ATOM 3736 C CA . ALA A 1 392 ? 34.379 41.153 9.225 1.00 15.01 ? 393 ALA A CA 1 ATOM 3737 C C . ALA A 1 392 ? 34.536 42.366 10.149 1.00 15.87 ? 393 ALA A C 1 ATOM 3738 O O . ALA A 1 392 ? 34.982 42.226 11.290 1.00 14.92 ? 393 ALA A O 1 ATOM 3739 C CB . ALA A 1 392 ? 32.945 40.647 9.243 1.00 13.76 ? 393 ALA A CB 1 ATOM 3740 H H . ALA A 1 392 ? 34.936 39.265 10.055 1.00 14.35 ? 393 ALA A H 1 ATOM 3741 N N . SER A 1 393 ? 34.138 43.546 9.679 1.00 16.85 ? 394 SER A N 1 ATOM 3742 C CA . SER A 1 393 ? 34.262 44.767 10.475 1.00 17.59 ? 394 SER A CA 1 ATOM 3743 C C . SER A 1 393 ? 33.574 44.705 11.829 1.00 17.24 ? 394 SER A C 1 ATOM 3744 O O . SER A 1 393 ? 33.997 45.370 12.771 1.00 18.45 ? 394 SER A O 1 ATOM 3745 C CB . SER A 1 393 ? 33.787 46.005 9.688 1.00 20.38 ? 394 SER A CB 1 ATOM 3746 O OG . SER A 1 393 ? 32.471 45.845 9.166 1.00 26.71 ? 394 SER A OG 1 ATOM 3747 H H . SER A 1 393 ? 33.751 43.617 8.778 1.00 16.85 ? 394 SER A H 1 ATOM 3748 H HG . SER A 1 393 ? 31.818 45.707 9.865 1.00 26.71 ? 394 SER A HG 1 ATOM 3749 N N . ASN A 1 394 ? 32.503 43.927 11.930 1.00 14.98 ? 395 ASN A N 1 ATOM 3750 C CA . ASN A 1 394 ? 31.806 43.804 13.199 1.00 13.83 ? 395 ASN A CA 1 ATOM 3751 C C . ASN A 1 394 ? 32.284 42.595 14.021 1.00 13.52 ? 395 ASN A C 1 ATOM 3752 O O . ASN A 1 394 ? 31.674 42.241 15.029 1.00 14.62 ? 395 ASN A O 1 ATOM 3753 C CB . ASN A 1 394 ? 30.300 43.747 12.971 1.00 14.55 ? 395 ASN A CB 1 ATOM 3754 C CG . ASN A 1 394 ? 29.861 42.485 12.264 1.00 14.54 ? 395 ASN A CG 1 ATOM 3755 O OD1 . ASN A 1 394 ? 30.679 41.682 11.795 1.00 12.88 ? 395 ASN A OD1 1 ATOM 3756 N ND2 . ASN A 1 394 ? 28.549 42.308 12.215 1.00 14.86 ? 395 ASN A ND2 1 ATOM 3757 H H . ASN A 1 394 ? 32.162 43.444 11.147 1.00 14.98 ? 395 ASN A H 1 ATOM 3758 H HD21 . ASN A 1 394 ? 27.962 42.900 12.732 1.00 14.86 ? 395 ASN A HD21 1 ATOM 3759 N N . GLY A 1 395 ? 33.345 41.942 13.562 1.00 12.58 ? 396 GLY A N 1 ATOM 3760 C CA . GLY A 1 395 ? 33.889 40.810 14.286 1.00 11.89 ? 396 GLY A CA 1 ATOM 3761 C C . GLY A 1 395 ? 33.441 39.427 13.854 1.00 12.01 ? 396 GLY A C 1 ATOM 3762 O O . GLY A 1 395 ? 33.938 38.433 14.388 1.00 11.05 ? 396 GLY A O 1 ATOM 3763 H H . GLY A 1 395 ? 33.784 42.240 12.747 1.00 12.58 ? 396 GLY A H 1 ATOM 3764 N N . SER A 1 396 ? 32.521 39.333 12.896 1.00 10.41 ? 397 SER A N 1 ATOM 3765 C CA . SER A 1 396 ? 32.061 38.017 12.450 1.00 10.08 ? 397 SER A CA 1 ATOM 3766 C C . SER A 1 396 ? 33.179 37.157 11.877 1.00 10.54 ? 397 SER A C 1 ATOM 3767 O O . SER A 1 396 ? 34.041 37.646 11.140 1.00 9.35 ? 397 SER A O 1 ATOM 3768 C CB . SER A 1 396 ? 30.945 38.138 11.418 1.00 10.87 ? 397 SER A CB 1 ATOM 3769 O OG . SER A 1 396 ? 29.702 38.225 12.077 1.00 14.05 ? 397 SER A OG 1 ATOM 3770 H H . SER A 1 396 ? 32.146 40.135 12.480 1.00 10.41 ? 397 SER A H 1 ATOM 3771 H HG . SER A 1 396 ? 29.638 37.406 12.584 1.00 14.05 ? 397 SER A HG 1 ATOM 3772 N N . LEU A 1 397 ? 33.156 35.873 12.231 1.00 9.43 ? 398 LEU A N 1 ATOM 3773 C CA . LEU A 1 397 ? 34.139 34.915 11.747 1.00 9.19 ? 398 LEU A CA 1 ATOM 3774 C C . LEU A 1 397 ? 33.418 33.771 11.050 1.00 8.62 ? 398 LEU A C 1 ATOM 3775 O O . LEU A 1 397 ? 32.560 33.116 11.644 1.00 8.95 ? 398 LEU A O 1 ATOM 3776 C CB . LEU A 1 397 ? 34.966 34.336 12.902 1.00 9.61 ? 398 LEU A CB 1 ATOM 3777 C CG . LEU A 1 397 ? 35.820 35.277 13.758 1.00 10.11 ? 398 LEU A CG 1 ATOM 3778 C CD1 . LEU A 1 397 ? 36.520 34.482 14.873 1.00 9.18 ? 398 LEU A CD1 1 ATOM 3779 C CD2 . LEU A 1 397 ? 36.830 35.995 12.865 1.00 10.36 ? 398 LEU A CD2 1 ATOM 3780 H H . LEU A 1 397 ? 32.433 35.522 12.794 1.00 9.43 ? 398 LEU A H 1 ATOM 3781 N N A SER A 1 398 ? 33.741 33.557 9.780 0.71 7.76 ? 399 SER A N 1 ATOM 3782 N N B SER A 1 398 ? 33.745 33.565 9.779 0.29 8.03 ? 399 SER A N 1 ATOM 3783 C CA A SER A 1 398 ? 33.154 32.477 9.000 0.71 7.08 ? 399 SER A CA 1 ATOM 3784 C CA B SER A 1 398 ? 33.165 32.486 8.990 0.29 7.37 ? 399 SER A CA 1 ATOM 3785 C C A SER A 1 398 ? 34.032 31.234 9.165 0.71 7.19 ? 399 SER A C 1 ATOM 3786 C C B SER A 1 398 ? 34.053 31.251 9.139 0.29 7.26 ? 399 SER A C 1 ATOM 3787 O O A SER A 1 398 ? 34.936 31.205 10.002 0.71 7.88 ? 399 SER A O 1 ATOM 3788 O O B SER A 1 398 ? 34.983 31.240 9.950 0.29 7.57 ? 399 SER A O 1 ATOM 3789 C CB A SER A 1 398 ? 33.120 32.877 7.527 0.71 6.62 ? 399 SER A CB 1 ATOM 3790 C CB B SER A 1 398 ? 33.081 32.897 7.519 0.29 6.95 ? 399 SER A CB 1 ATOM 3791 O OG A SER A 1 398 ? 34.412 33.263 7.111 0.71 7.90 ? 399 SER A OG 1 ATOM 3792 O OG B SER A 1 398 ? 32.281 34.054 7.364 0.29 6.80 ? 399 SER A OG 1 ATOM 3793 H H A SER A 1 398 ? 34.404 34.128 9.321 0.71 7.76 ? 399 SER A H 1 ATOM 3794 H H B SER A 1 398 ? 34.381 34.175 9.339 0.29 8.03 ? 399 SER A H 1 ATOM 3795 H HG A SER A 1 398 ? 34.485 33.245 6.153 0.71 7.90 ? 399 SER A HG 1 ATOM 3796 H HG B SER A 1 398 ? 32.074 34.119 6.421 0.29 6.80 ? 399 SER A HG 1 ATOM 3797 N N . GLU A 1 399 ? 33.762 30.205 8.370 1.00 6.92 ? 400 GLU A N 1 ATOM 3798 C CA . GLU A 1 399 ? 34.553 28.995 8.427 1.00 6.74 ? 400 GLU A CA 1 ATOM 3799 C C . GLU A 1 399 ? 35.905 29.225 7.729 1.00 7.71 ? 400 GLU A C 1 ATOM 3800 O O . GLU A 1 399 ? 36.971 28.913 8.283 1.00 7.02 ? 400 GLU A O 1 ATOM 3801 C CB . GLU A 1 399 ? 33.819 27.863 7.729 1.00 5.39 ? 400 GLU A CB 1 ATOM 3802 C CG . GLU A 1 399 ? 34.568 26.547 7.778 1.00 6.43 ? 400 GLU A CG 1 ATOM 3803 C CD . GLU A 1 399 ? 33.880 25.475 6.974 1.00 7.50 ? 400 GLU A CD 1 ATOM 3804 O OE1 . GLU A 1 399 ? 33.907 25.551 5.730 1.00 7.24 ? 400 GLU A OE1 1 ATOM 3805 O OE2 . GLU A 1 399 ? 33.318 24.550 7.584 1.00 5.86 ? 400 GLU A OE2 1 ATOM 3806 H H . GLU A 1 399 ? 32.998 30.252 7.760 1.00 6.92 ? 400 GLU A H 1 ATOM 3807 N N . GLN A 1 400 ? 35.854 29.834 6.543 1.00 6.80 ? 401 GLN A N 1 ATOM 3808 C CA . GLN A 1 400 ? 37.051 30.048 5.735 1.00 6.49 ? 401 GLN A CA 1 ATOM 3809 C C . GLN A 1 400 ? 37.217 31.484 5.249 1.00 6.48 ? 401 GLN A C 1 ATOM 3810 O O . GLN A 1 400 ? 36.304 32.300 5.356 1.00 7.15 ? 401 GLN A O 1 ATOM 3811 C CB . GLN A 1 400 ? 36.970 29.153 4.484 1.00 6.45 ? 401 GLN A CB 1 ATOM 3812 C CG . GLN A 1 400 ? 36.692 27.673 4.734 1.00 6.94 ? 401 GLN A CG 1 ATOM 3813 C CD . GLN A 1 400 ? 36.581 26.850 3.450 1.00 8.07 ? 401 GLN A CD 1 ATOM 3814 O OE1 . GLN A 1 400 ? 37.219 27.154 2.441 1.00 8.67 ? 401 GLN A OE1 1 ATOM 3815 N NE2 . GLN A 1 400 ? 35.780 25.792 3.491 1.00 6.51 ? 401 GLN A NE2 1 ATOM 3816 H H . GLN A 1 400 ? 35.008 30.178 6.184 1.00 6.80 ? 401 GLN A H 1 ATOM 3817 H HE21 . GLN A 1 400 ? 35.684 25.268 2.675 1.00 6.51 ? 401 GLN A HE21 1 ATOM 3818 H HE22 . GLN A 1 400 ? 35.327 25.596 4.338 1.00 6.51 ? 401 GLN A HE22 1 ATOM 3819 N N . PHE A 1 401 ? 38.409 31.798 4.754 1.00 7.36 ? 402 PHE A N 1 ATOM 3820 C CA . PHE A 1 401 ? 38.664 33.105 4.142 1.00 8.55 ? 402 PHE A CA 1 ATOM 3821 C C . PHE A 1 401 ? 39.445 32.791 2.877 1.00 8.48 ? 402 PHE A C 1 ATOM 3822 O O . PHE A 1 401 ? 40.199 31.827 2.829 1.00 7.82 ? 402 PHE A O 1 ATOM 3823 C CB . PHE A 1 401 ? 39.306 34.169 5.064 1.00 8.93 ? 402 PHE A CB 1 ATOM 3824 C CG . PHE A 1 401 ? 40.566 33.740 5.761 1.00 10.41 ? 402 PHE A CG 1 ATOM 3825 C CD1 . PHE A 1 401 ? 40.513 32.935 6.895 1.00 10.09 ? 402 PHE A CD1 1 ATOM 3826 C CD2 . PHE A 1 401 ? 41.804 34.219 5.336 1.00 10.95 ? 402 PHE A CD2 1 ATOM 3827 C CE1 . PHE A 1 401 ? 41.676 32.617 7.600 1.00 12.22 ? 402 PHE A CE1 1 ATOM 3828 C CE2 . PHE A 1 401 ? 42.975 33.907 6.036 1.00 11.66 ? 402 PHE A CE2 1 ATOM 3829 C CZ . PHE A 1 401 ? 42.909 33.108 7.168 1.00 12.09 ? 402 PHE A CZ 1 ATOM 3830 H H . PHE A 1 401 ? 39.141 31.138 4.757 1.00 7.36 ? 402 PHE A H 1 ATOM 3831 N N . ASP A 1 402 ? 39.120 33.510 1.811 1.00 9.39 ? 403 ASP A N 1 ATOM 3832 C CA . ASP A 1 402 ? 39.675 33.261 0.497 1.00 10.21 ? 403 ASP A CA 1 ATOM 3833 C C . ASP A 1 402 ? 41.195 33.215 0.372 1.00 10.71 ? 403 ASP A C 1 ATOM 3834 O O . ASP A 1 402 ? 41.889 34.136 0.783 1.00 12.59 ? 403 ASP A O 1 ATOM 3835 C CB . ASP A 1 402 ? 39.079 34.260 -0.488 1.00 12.60 ? 403 ASP A CB 1 ATOM 3836 C CG . ASP A 1 402 ? 39.252 33.825 -1.918 1.00 14.78 ? 403 ASP A CG 1 ATOM 3837 O OD1 . ASP A 1 402 ? 38.401 33.063 -2.414 1.00 16.68 ? 403 ASP A OD1 1 ATOM 3838 O OD2 . ASP A 1 402 ? 40.251 34.229 -2.539 1.00 17.25 ? 403 ASP A OD2 1 ATOM 3839 H H . ASP A 1 402 ? 38.514 34.254 1.906 1.00 9.39 ? 403 ASP A H 1 ATOM 3840 N N . LYS A 1 403 ? 41.673 32.157 -0.276 1.00 11.11 ? 404 LYS A N 1 ATOM 3841 C CA . LYS A 1 403 ? 43.098 31.902 -0.497 1.00 13.37 ? 404 LYS A CA 1 ATOM 3842 C C . LYS A 1 403 ? 43.795 32.997 -1.310 1.00 15.24 ? 404 LYS A C 1 ATOM 3843 O O . LYS A 1 403 ? 45.020 33.110 -1.271 1.00 15.87 ? 404 LYS A O 1 ATOM 3844 C CB . LYS A 1 403 ? 43.260 30.567 -1.221 1.00 12.57 ? 404 LYS A CB 1 ATOM 3845 C CG . LYS A 1 403 ? 42.656 30.582 -2.622 1.00 14.28 ? 404 LYS A CG 1 ATOM 3846 C CD . LYS A 1 403 ? 42.353 29.192 -3.136 1.00 16.21 ? 404 LYS A CD 1 ATOM 3847 C CE . LYS A 1 403 ? 43.598 28.345 -3.201 1.00 16.30 ? 404 LYS A CE 1 ATOM 3848 N NZ . LYS A 1 403 ? 43.260 26.938 -3.554 1.00 18.21 ? 404 LYS A NZ 1 ATOM 3849 H H . LYS A 1 403 ? 41.017 31.514 -0.614 1.00 11.11 ? 404 LYS A H 1 ATOM 3850 H HZ1 . LYS A 1 403 ? 42.743 26.867 -4.445 1.00 18.21 ? 404 LYS A HZ1 1 ATOM 3851 H HZ2 . LYS A 1 403 ? 44.137 26.376 -3.615 1.00 18.21 ? 404 LYS A HZ2 1 ATOM 3852 H HZ3 . LYS A 1 403 ? 42.676 26.537 -2.789 1.00 18.21 ? 404 LYS A HZ3 1 ATOM 3853 N N . SER A 1 404 ? 43.016 33.763 -2.069 1.00 16.12 ? 405 SER A N 1 ATOM 3854 C CA . SER A 1 404 ? 43.548 34.837 -2.901 1.00 19.28 ? 405 SER A CA 1 ATOM 3855 C C . SER A 1 404 ? 43.269 36.252 -2.401 1.00 20.65 ? 405 SER A C 1 ATOM 3856 O O . SER A 1 404 ? 44.193 37.060 -2.306 1.00 21.76 ? 405 SER A O 1 ATOM 3857 C CB . SER A 1 404 ? 43.039 34.700 -4.338 1.00 19.44 ? 405 SER A CB 1 ATOM 3858 O OG . SER A 1 404 ? 43.457 33.469 -4.911 1.00 25.25 ? 405 SER A OG 1 ATOM 3859 H H . SER A 1 404 ? 42.060 33.588 -2.074 1.00 16.12 ? 405 SER A H 1 ATOM 3860 H HG . SER A 1 404 ? 43.824 33.648 -5.783 1.00 25.25 ? 405 SER A HG 1 ATOM 3861 N N . ASP A 1 405 ? 42.007 36.571 -2.119 1.00 21.18 ? 406 ASP A N 1 ATOM 3862 C CA . ASP A 1 405 ? 41.660 37.911 -1.650 1.00 22.14 ? 406 ASP A CA 1 ATOM 3863 C C . ASP A 1 405 ? 41.281 38.032 -0.176 1.00 21.47 ? 406 ASP A C 1 ATOM 3864 O O . ASP A 1 405 ? 40.995 39.130 0.302 1.00 22.06 ? 406 ASP A O 1 ATOM 3865 C CB . ASP A 1 405 ? 40.578 38.548 -2.535 1.00 24.08 ? 406 ASP A CB 1 ATOM 3866 C CG . ASP A 1 405 ? 39.267 37.775 -2.527 1.00 28.22 ? 406 ASP A CG 1 ATOM 3867 O OD1 . ASP A 1 405 ? 38.899 37.200 -1.482 1.00 27.71 ? 406 ASP A OD1 1 ATOM 3868 O OD2 . ASP A 1 405 ? 38.588 37.749 -3.576 1.00 31.78 ? 406 ASP A OD2 1 ATOM 3869 H H . ASP A 1 405 ? 41.272 35.936 -2.246 1.00 21.18 ? 406 ASP A H 1 ATOM 3870 N N . GLY A 1 406 ? 41.232 36.908 0.532 1.00 20.02 ? 407 GLY A N 1 ATOM 3871 C CA . GLY A 1 406 ? 40.919 36.948 1.948 1.00 17.90 ? 407 GLY A CA 1 ATOM 3872 C C . GLY A 1 406 ? 39.484 37.198 2.369 1.00 17.65 ? 407 GLY A C 1 ATOM 3873 O O . GLY A 1 406 ? 39.219 37.359 3.564 1.00 16.77 ? 407 GLY A O 1 ATOM 3874 H H . GLY A 1 406 ? 41.388 36.047 0.093 1.00 20.02 ? 407 GLY A H 1 ATOM 3875 N N . ASP A 1 407 ? 38.557 37.249 1.420 1.00 16.27 ? 408 ASP A N 1 ATOM 3876 C CA . ASP A 1 407 ? 37.149 37.460 1.757 1.00 16.33 ? 408 ASP A CA 1 ATOM 3877 C C . ASP A 1 407 ? 36.605 36.238 2.489 1.00 13.41 ? 408 ASP A C 1 ATOM 3878 O O . ASP A 1 407 ? 37.015 35.117 2.215 1.00 11.71 ? 408 ASP A O 1 ATOM 3879 C CB . ASP A 1 407 ? 36.313 37.673 0.495 1.00 19.02 ? 408 ASP A CB 1 ATOM 3880 C CG . ASP A 1 407 ? 36.511 39.056 -0.128 1.00 24.64 ? 408 ASP A CG 1 ATOM 3881 O OD1 . ASP A 1 407 ? 37.109 39.958 0.515 1.00 26.75 ? 408 ASP A OD1 1 ATOM 3882 O OD2 . ASP A 1 407 ? 36.031 39.242 -1.266 1.00 27.95 ? 408 ASP A OD2 1 ATOM 3883 H H . ASP A 1 407 ? 38.793 37.157 0.479 1.00 16.27 ? 408 ASP A H 1 ATOM 3884 N N . GLU A 1 408 ? 35.676 36.456 3.410 1.00 12.30 ? 409 GLU A N 1 ATOM 3885 C CA . GLU A 1 408 ? 35.078 35.349 4.150 1.00 12.20 ? 409 GLU A CA 1 ATOM 3886 C C . GLU A 1 408 ? 34.193 34.502 3.243 1.00 12.63 ? 409 GLU A C 1 ATOM 3887 O O . GLU A 1 408 ? 33.498 35.032 2.364 1.00 11.98 ? 409 GLU A O 1 ATOM 3888 C CB . GLU A 1 408 ? 34.259 35.872 5.331 1.00 11.85 ? 409 GLU A CB 1 ATOM 3889 C CG . GLU A 1 408 ? 35.121 36.447 6.435 1.00 13.05 ? 409 GLU A CG 1 ATOM 3890 C CD . GLU A 1 408 ? 34.368 36.697 7.721 1.00 14.75 ? 409 GLU A CD 1 ATOM 3891 O OE1 . GLU A 1 408 ? 33.134 36.889 7.687 1.00 17.93 ? 409 GLU A OE1 1 ATOM 3892 O OE2 . GLU A 1 408 ? 35.015 36.693 8.779 1.00 13.60 ? 409 GLU A OE2 1 ATOM 3893 H H . GLU A 1 408 ? 35.376 37.369 3.592 1.00 12.30 ? 409 GLU A H 1 ATOM 3894 N N . LEU A 1 409 ? 34.283 33.186 3.394 1.00 11.20 ? 410 LEU A N 1 ATOM 3895 C CA . LEU A 1 409 ? 33.459 32.280 2.611 1.00 11.53 ? 410 LEU A CA 1 ATOM 3896 C C . LEU A 1 409 ? 33.043 31.064 3.425 1.00 10.70 ? 410 LEU A C 1 ATOM 3897 O O . LEU A 1 409 ? 33.457 30.897 4.588 1.00 11.66 ? 410 LEU A O 1 ATOM 3898 C CB . LEU A 1 409 ? 34.094 31.889 1.268 1.00 14.09 ? 410 LEU A CB 1 ATOM 3899 C CG . LEU A 1 409 ? 35.318 30.989 1.138 1.00 16.85 ? 410 LEU A CG 1 ATOM 3900 C CD1 . LEU A 1 409 ? 35.441 30.494 -0.290 1.00 20.71 ? 410 LEU A CD1 1 ATOM 3901 C CD2 . LEU A 1 409 ? 36.550 31.754 1.510 1.00 20.49 ? 410 LEU A CD2 1 ATOM 3902 H H . LEU A 1 409 ? 34.921 32.805 4.037 1.00 11.20 ? 410 LEU A H 1 ATOM 3903 N N . SER A 1 410 ? 32.204 30.238 2.809 1.00 9.20 ? 411 SER A N 1 ATOM 3904 C CA . SER A 1 410 ? 31.615 29.058 3.427 1.00 8.30 ? 411 SER A CA 1 ATOM 3905 C C . SER A 1 410 ? 30.663 29.509 4.555 1.00 8.22 ? 411 SER A C 1 ATOM 3906 O O . SER A 1 410 ? 30.185 30.650 4.532 1.00 8.05 ? 411 SER A O 1 ATOM 3907 C CB . SER A 1 410 ? 32.670 28.053 3.902 1.00 7.78 ? 411 SER A CB 1 ATOM 3908 O OG . SER A 1 410 ? 32.029 26.833 4.262 1.00 8.68 ? 411 SER A OG 1 ATOM 3909 H H . SER A 1 410 ? 31.926 30.430 1.888 1.00 9.20 ? 411 SER A H 1 ATOM 3910 H HG . SER A 1 410 ? 32.707 26.174 4.409 1.00 8.68 ? 411 SER A HG 1 ATOM 3911 N N . ALA A 1 411 ? 30.389 28.643 5.528 1.00 8.61 ? 412 ALA A N 1 ATOM 3912 C CA . ALA A 1 411 ? 29.447 28.961 6.612 1.00 7.47 ? 412 ALA A CA 1 ATOM 3913 C C . ALA A 1 411 ? 29.755 30.230 7.386 1.00 7.70 ? 412 ALA A C 1 ATOM 3914 O O . ALA A 1 411 ? 30.864 30.397 7.892 1.00 8.64 ? 412 ALA A O 1 ATOM 3915 C CB . ALA A 1 411 ? 29.338 27.784 7.571 1.00 7.48 ? 412 ALA A CB 1 ATOM 3916 H H . ALA A 1 411 ? 30.816 27.764 5.510 1.00 8.61 ? 412 ALA A H 1 ATOM 3917 N N . ARG A 1 412 ? 28.783 31.133 7.472 1.00 7.10 ? 413 ARG A N 1 ATOM 3918 C CA . ARG A 1 412 ? 28.980 32.376 8.222 1.00 7.30 ? 413 ARG A CA 1 ATOM 3919 C C . ARG A 1 412 ? 28.828 32.100 9.721 1.00 6.61 ? 413 ARG A C 1 ATOM 3920 O O . ARG A 1 412 ? 28.240 31.085 10.112 1.00 6.26 ? 413 ARG A O 1 ATOM 3921 C CB . ARG A 1 412 ? 27.955 33.444 7.808 1.00 8.67 ? 413 ARG A CB 1 ATOM 3922 C CG . ARG A 1 412 ? 26.504 33.087 8.138 1.00 9.50 ? 413 ARG A CG 1 ATOM 3923 C CD . ARG A 1 412 ? 25.539 34.199 7.737 1.00 10.21 ? 413 ARG A CD 1 ATOM 3924 N NE . ARG A 1 412 ? 24.152 33.854 8.059 1.00 11.31 ? 413 ARG A NE 1 ATOM 3925 C CZ . ARG A 1 412 ? 23.350 33.120 7.287 1.00 10.80 ? 413 ARG A CZ 1 ATOM 3926 N NH1 . ARG A 1 412 ? 23.775 32.640 6.122 1.00 12.63 ? 413 ARG A NH1 1 ATOM 3927 N NH2 . ARG A 1 412 ? 22.128 32.820 7.710 1.00 11.95 ? 413 ARG A NH2 1 ATOM 3928 H H . ARG A 1 412 ? 27.936 30.967 7.004 1.00 7.10 ? 413 ARG A H 1 ATOM 3929 H HE . ARG A 1 412 ? 23.796 34.193 8.912 1.00 11.31 ? 413 ARG A HE 1 ATOM 3930 H HH11 . ARG A 1 412 ? 24.703 32.816 5.783 1.00 12.63 ? 413 ARG A HH11 1 ATOM 3931 H HH12 . ARG A 1 412 ? 23.163 32.081 5.546 1.00 12.63 ? 413 ARG A HH12 1 ATOM 3932 H HH21 . ARG A 1 412 ? 21.820 33.149 8.612 1.00 11.95 ? 413 ARG A HH21 1 ATOM 3933 H HH22 . ARG A 1 412 ? 21.493 32.260 7.160 1.00 11.95 ? 413 ARG A HH22 1 ATOM 3934 N N . ASP A 1 413 ? 29.404 32.976 10.541 1.00 5.39 ? 414 ASP A N 1 ATOM 3935 C CA . ASP A 1 413 ? 29.298 32.891 11.999 1.00 6.18 ? 414 ASP A CA 1 ATOM 3936 C C . ASP A 1 413 ? 29.409 31.470 12.535 1.00 6.04 ? 414 ASP A C 1 ATOM 3937 O O . ASP A 1 413 ? 28.499 30.966 13.197 1.00 5.93 ? 414 ASP A O 1 ATOM 3938 C CB . ASP A 1 413 ? 27.969 33.539 12.437 1.00 7.42 ? 414 ASP A CB 1 ATOM 3939 C CG . ASP A 1 413 ? 27.934 35.031 12.153 1.00 10.09 ? 414 ASP A CG 1 ATOM 3940 O OD1 . ASP A 1 413 ? 28.834 35.729 12.637 1.00 10.20 ? 414 ASP A OD1 1 ATOM 3941 O OD2 . ASP A 1 413 ? 27.029 35.514 11.442 1.00 9.86 ? 414 ASP A OD2 1 ATOM 3942 H H . ASP A 1 413 ? 29.921 33.726 10.166 1.00 5.39 ? 414 ASP A H 1 ATOM 3943 N N . LEU A 1 414 ? 30.521 30.818 12.210 1.00 5.83 ? 415 LEU A N 1 ATOM 3944 C CA . LEU A 1 414 ? 30.767 29.438 12.619 1.00 4.69 ? 415 LEU A CA 1 ATOM 3945 C C . LEU A 1 414 ? 31.105 29.405 14.108 1.00 5.44 ? 415 LEU A C 1 ATOM 3946 O O . LEU A 1 414 ? 32.090 29.999 14.541 1.00 4.61 ? 415 LEU A O 1 ATOM 3947 C CB . LEU A 1 414 ? 31.914 28.856 11.799 1.00 3.80 ? 415 LEU A CB 1 ATOM 3948 C CG . LEU A 1 414 ? 32.175 27.374 12.036 1.00 6.38 ? 415 LEU A CG 1 ATOM 3949 C CD1 . LEU A 1 414 ? 31.149 26.542 11.259 1.00 5.93 ? 415 LEU A CD1 1 ATOM 3950 C CD2 . LEU A 1 414 ? 33.604 27.018 11.610 1.00 7.12 ? 415 LEU A CD2 1 ATOM 3951 H H . LEU A 1 414 ? 31.203 31.327 11.725 1.00 5.83 ? 415 LEU A H 1 ATOM 3952 N N . THR A 1 415 ? 30.296 28.690 14.882 1.00 5.07 ? 416 THR A N 1 ATOM 3953 C CA . THR A 1 415 ? 30.479 28.600 16.329 1.00 4.52 ? 416 THR A CA 1 ATOM 3954 C C . THR A 1 415 ? 31.890 28.160 16.730 1.00 5.17 ? 416 THR A C 1 ATOM 3955 O O . THR A 1 415 ? 32.494 28.745 17.633 1.00 5.77 ? 416 THR A O 1 ATOM 3956 C CB . THR A 1 415 ? 29.421 27.662 16.946 1.00 5.35 ? 416 THR A CB 1 ATOM 3957 O OG1 . THR A 1 415 ? 28.143 27.982 16.376 1.00 5.75 ? 416 THR A OG1 1 ATOM 3958 C CG2 . THR A 1 415 ? 29.335 27.855 18.453 1.00 5.14 ? 416 THR A CG2 1 ATOM 3959 H H . THR A 1 415 ? 29.518 28.233 14.490 1.00 5.07 ? 416 THR A H 1 ATOM 3960 H HG1 . THR A 1 415 ? 27.929 28.928 16.408 1.00 5.75 ? 416 THR A HG1 1 ATOM 3961 N N . TRP A 1 416 ? 32.433 27.166 16.031 1.00 4.07 ? 417 TRP A N 1 ATOM 3962 C CA . TRP A 1 416 ? 33.772 26.674 16.347 1.00 5.18 ? 417 TRP A CA 1 ATOM 3963 C C . TRP A 1 416 ? 34.827 27.769 16.118 1.00 5.75 ? 417 TRP A C 1 ATOM 3964 O O . TRP A 1 416 ? 35.773 27.866 16.902 1.00 5.56 ? 417 TRP A O 1 ATOM 3965 C CB . TRP A 1 416 ? 34.040 25.400 15.545 1.00 5.29 ? 417 TRP A CB 1 ATOM 3966 C CG . TRP A 1 416 ? 35.297 24.617 15.854 1.00 5.06 ? 417 TRP A CG 1 ATOM 3967 C CD1 . TRP A 1 416 ? 36.297 24.921 16.757 1.00 5.94 ? 417 TRP A CD1 1 ATOM 3968 C CD2 . TRP A 1 416 ? 35.702 23.416 15.193 1.00 5.61 ? 417 TRP A CD2 1 ATOM 3969 N NE1 . TRP A 1 416 ? 37.305 23.969 16.675 1.00 6.41 ? 417 TRP A NE1 1 ATOM 3970 C CE2 . TRP A 1 416 ? 36.961 23.039 15.726 1.00 4.73 ? 417 TRP A CE2 1 ATOM 3971 C CE3 . TRP A 1 416 ? 35.126 22.620 14.191 1.00 7.39 ? 417 TRP A CE3 1 ATOM 3972 C CZ2 . TRP A 1 416 ? 37.654 21.901 15.279 1.00 6.31 ? 417 TRP A CZ2 1 ATOM 3973 C CZ3 . TRP A 1 416 ? 35.818 21.485 13.744 1.00 6.75 ? 417 TRP A CZ3 1 ATOM 3974 C CH2 . TRP A 1 416 ? 37.067 21.139 14.292 1.00 7.55 ? 417 TRP A CH2 1 ATOM 3975 H H . TRP A 1 416 ? 31.918 26.728 15.311 1.00 4.07 ? 417 TRP A H 1 ATOM 3976 H HE1 . TRP A 1 416 ? 38.142 24.000 17.203 1.00 6.41 ? 417 TRP A HE1 1 ATOM 3977 N N . SER A 1 417 ? 34.646 28.623 15.103 1.00 4.55 ? 418 SER A N 1 ATOM 3978 C CA . SER A 1 417 ? 35.586 29.724 14.864 1.00 4.45 ? 418 SER A CA 1 ATOM 3979 C C . SER A 1 417 ? 35.665 30.624 16.092 1.00 6.14 ? 418 SER A C 1 ATOM 3980 O O . SER A 1 417 ? 36.756 31.041 16.495 1.00 5.71 ? 418 SER A O 1 ATOM 3981 C CB . SER A 1 417 ? 35.167 30.573 13.659 1.00 5.35 ? 418 SER A CB 1 ATOM 3982 O OG . SER A 1 417 ? 35.466 29.896 12.457 1.00 6.05 ? 418 SER A OG 1 ATOM 3983 H H . SER A 1 417 ? 33.882 28.538 14.493 1.00 4.55 ? 418 SER A H 1 ATOM 3984 H HG . SER A 1 417 ? 35.277 30.512 11.720 1.00 6.05 ? 418 SER A HG 1 ATOM 3985 N N . TYR A 1 418 ? 34.508 30.931 16.677 1.00 4.52 ? 419 TYR A N 1 ATOM 3986 C CA . TYR A 1 418 ? 34.448 31.770 17.866 1.00 5.18 ? 419 TYR A CA 1 ATOM 3987 C C . TYR A 1 418 ? 35.095 31.109 19.077 1.00 5.16 ? 419 TYR A C 1 ATOM 3988 O O . TYR A 1 418 ? 35.803 31.767 19.838 1.00 5.71 ? 419 TYR A O 1 ATOM 3989 C CB . TYR A 1 418 ? 33.005 32.161 18.169 1.00 5.09 ? 419 TYR A CB 1 ATOM 3990 C CG . TYR A 1 418 ? 32.416 33.085 17.130 1.00 6.62 ? 419 TYR A CG 1 ATOM 3991 C CD1 . TYR A 1 418 ? 32.972 34.344 16.909 1.00 6.99 ? 419 TYR A CD1 1 ATOM 3992 C CD2 . TYR A 1 418 ? 31.316 32.694 16.353 1.00 7.29 ? 419 TYR A CD2 1 ATOM 3993 C CE1 . TYR A 1 418 ? 32.451 35.201 15.935 1.00 7.03 ? 419 TYR A CE1 1 ATOM 3994 C CE2 . TYR A 1 418 ? 30.791 33.537 15.374 1.00 6.00 ? 419 TYR A CE2 1 ATOM 3995 C CZ . TYR A 1 418 ? 31.364 34.789 15.177 1.00 7.63 ? 419 TYR A CZ 1 ATOM 3996 O OH . TYR A 1 418 ? 30.872 35.658 14.240 1.00 9.14 ? 419 TYR A OH 1 ATOM 3997 H H . TYR A 1 418 ? 33.672 30.576 16.299 1.00 4.52 ? 419 TYR A H 1 ATOM 3998 H HH . TYR A 1 418 ? 31.318 36.498 14.387 1.00 9.14 ? 419 TYR A HH 1 ATOM 3999 N N . ALA A 1 419 ? 34.876 29.810 19.252 1.00 4.61 ? 420 ALA A N 1 ATOM 4000 C CA . ALA A 1 419 ? 35.489 29.099 20.375 1.00 4.79 ? 420 ALA A CA 1 ATOM 4001 C C . ALA A 1 419 ? 37.022 29.079 20.213 1.00 4.80 ? 420 ALA A C 1 ATOM 4002 O O . ALA A 1 419 ? 37.750 29.206 21.196 1.00 4.97 ? 420 ALA A O 1 ATOM 4003 C CB . ALA A 1 419 ? 34.941 27.656 20.481 1.00 5.67 ? 420 ALA A CB 1 ATOM 4004 H H . ALA A 1 419 ? 34.283 29.343 18.628 1.00 4.61 ? 420 ALA A H 1 ATOM 4005 N N . ALA A 1 420 ? 37.498 28.906 18.982 1.00 4.00 ? 421 ALA A N 1 ATOM 4006 C CA . ALA A 1 420 ? 38.937 28.875 18.698 1.00 4.01 ? 421 ALA A CA 1 ATOM 4007 C C . ALA A 1 420 ? 39.556 30.251 18.991 1.00 4.23 ? 421 ALA A C 1 ATOM 4008 O O . ALA A 1 420 ? 40.709 30.342 19.414 1.00 6.38 ? 421 ALA A O 1 ATOM 4009 C CB . ALA A 1 420 ? 39.188 28.457 17.240 1.00 4.34 ? 421 ALA A CB 1 ATOM 4010 H H . ALA A 1 420 ? 36.875 28.779 18.239 1.00 4.00 ? 421 ALA A H 1 ATOM 4011 N N . LEU A 1 421 ? 38.800 31.321 18.767 1.00 3.97 ? 422 LEU A N 1 ATOM 4012 C CA . LEU A 1 421 ? 39.308 32.657 19.062 1.00 5.32 ? 422 LEU A CA 1 ATOM 4013 C C . LEU A 1 421 ? 39.436 32.789 20.587 1.00 5.60 ? 422 LEU A C 1 ATOM 4014 O O . LEU A 1 421 ? 40.446 33.274 21.095 1.00 7.13 ? 422 LEU A O 1 ATOM 4015 C CB . LEU A 1 421 ? 38.361 33.733 18.497 1.00 6.44 ? 422 LEU A CB 1 ATOM 4016 C CG . LEU A 1 421 ? 38.673 35.236 18.646 1.00 8.01 ? 422 LEU A CG 1 ATOM 4017 C CD1 . LEU A 1 421 ? 38.549 35.703 20.088 1.00 7.79 ? 422 LEU A CD1 1 ATOM 4018 C CD2 . LEU A 1 421 ? 40.048 35.551 18.087 1.00 10.01 ? 422 LEU A CD2 1 ATOM 4019 H H . LEU A 1 421 ? 37.906 31.208 18.383 1.00 3.97 ? 422 LEU A H 1 ATOM 4020 N N . LEU A 1 422 ? 38.410 32.358 21.315 1.00 5.43 ? 423 LEU A N 1 ATOM 4021 C CA . LEU A 1 422 ? 38.427 32.441 22.772 1.00 6.49 ? 423 LEU A CA 1 ATOM 4022 C C . LEU A 1 422 ? 39.588 31.663 23.401 1.00 6.13 ? 423 LEU A C 1 ATOM 4023 O O . LEU A 1 422 ? 40.272 32.193 24.273 1.00 6.90 ? 423 LEU A O 1 ATOM 4024 C CB . LEU A 1 422 ? 37.086 31.988 23.362 1.00 7.36 ? 423 LEU A CB 1 ATOM 4025 C CG . LEU A 1 422 ? 35.904 32.946 23.118 1.00 7.61 ? 423 LEU A CG 1 ATOM 4026 C CD1 . LEU A 1 422 ? 34.620 32.339 23.655 1.00 7.66 ? 423 LEU A CD1 1 ATOM 4027 C CD2 . LEU A 1 422 ? 36.174 34.273 23.787 1.00 10.70 ? 423 LEU A CD2 1 ATOM 4028 H H . LEU A 1 422 ? 37.619 31.999 20.857 1.00 5.43 ? 423 LEU A H 1 ATOM 4029 N N . THR A 1 423 ? 39.833 30.430 22.953 1.00 4.76 ? 424 THR A N 1 ATOM 4030 C CA . THR A 1 423 ? 40.933 29.652 23.518 1.00 5.02 ? 424 THR A CA 1 ATOM 4031 C C . THR A 1 423 ? 42.317 30.237 23.149 1.00 6.61 ? 424 THR A C 1 ATOM 4032 O O . THR A 1 423 ? 43.213 30.304 23.999 1.00 7.09 ? 424 THR A O 1 ATOM 4033 C CB . THR A 1 423 ? 40.837 28.127 23.178 1.00 5.61 ? 424 THR A CB 1 ATOM 4034 O OG1 . THR A 1 423 ? 40.903 27.922 21.764 1.00 5.33 ? 424 THR A OG1 1 ATOM 4035 C CG2 . THR A 1 423 ? 39.534 27.548 23.697 1.00 5.93 ? 424 THR A CG2 1 ATOM 4036 H H . THR A 1 423 ? 39.278 30.031 22.245 1.00 4.76 ? 424 THR A H 1 ATOM 4037 H HG1 . THR A 1 423 ? 41.763 28.180 21.427 1.00 5.33 ? 424 THR A HG1 1 ATOM 4038 N N . ALA A 1 424 ? 42.482 30.706 21.913 1.00 5.55 ? 425 ALA A N 1 ATOM 4039 C CA . ALA A 1 424 ? 43.759 31.290 21.511 1.00 6.86 ? 425 ALA A CA 1 ATOM 4040 C C . ALA A 1 424 ? 44.042 32.543 22.356 1.00 8.27 ? 425 ALA A C 1 ATOM 4041 O O . ALA A 1 424 ? 45.160 32.739 22.828 1.00 8.69 ? 425 ALA A O 1 ATOM 4042 C CB . ALA A 1 424 ? 43.750 31.637 20.020 1.00 7.05 ? 425 ALA A CB 1 ATOM 4043 H H . ALA A 1 424 ? 41.751 30.654 21.261 1.00 5.55 ? 425 ALA A H 1 ATOM 4044 N N . ASN A 1 425 ? 43.021 33.371 22.569 1.00 7.67 ? 426 ASN A N 1 ATOM 4045 C CA . ASN A 1 425 ? 43.173 34.590 23.359 1.00 8.18 ? 426 ASN A CA 1 ATOM 4046 C C . ASN A 1 425 ? 43.526 34.256 24.808 1.00 9.34 ? 426 ASN A C 1 ATOM 4047 O O . ASN A 1 425 ? 44.404 34.889 25.399 1.00 8.70 ? 426 ASN A O 1 ATOM 4048 C CB . ASN A 1 425 ? 41.892 35.433 23.300 1.00 9.06 ? 426 ASN A CB 1 ATOM 4049 C CG . ASN A 1 425 ? 42.023 36.766 24.037 1.00 11.53 ? 426 ASN A CG 1 ATOM 4050 O OD1 . ASN A 1 425 ? 41.212 37.090 24.904 1.00 14.70 ? 426 ASN A OD1 1 ATOM 4051 N ND2 . ASN A 1 425 ? 43.017 37.552 23.668 1.00 10.29 ? 426 ASN A ND2 1 ATOM 4052 H H . ASN A 1 425 ? 42.155 33.155 22.169 1.00 7.67 ? 426 ASN A H 1 ATOM 4053 H HD21 . ASN A 1 425 ? 43.163 38.403 24.142 1.00 10.29 ? 426 ASN A HD21 1 ATOM 4054 H HD22 . ASN A 1 425 ? 43.610 37.265 22.943 1.00 10.29 ? 426 ASN A HD22 1 ATOM 4055 N N . ASN A 1 426 ? 42.856 33.253 25.373 1.00 7.43 ? 427 ASN A N 1 ATOM 4056 C CA . ASN A 1 426 ? 43.125 32.831 26.749 1.00 9.40 ? 427 ASN A CA 1 ATOM 4057 C C . ASN A 1 426 ? 44.571 32.365 26.921 1.00 8.35 ? 427 ASN A C 1 ATOM 4058 O O . ASN A 1 426 ? 45.247 32.780 27.866 1.00 8.54 ? 427 ASN A O 1 ATOM 4059 C CB . ASN A 1 426 ? 42.182 31.701 27.178 1.00 10.31 ? 427 ASN A CB 1 ATOM 4060 C CG . ASN A 1 426 ? 40.862 32.211 27.756 1.00 14.55 ? 427 ASN A CG 1 ATOM 4061 O OD1 . ASN A 1 426 ? 39.920 31.442 27.910 1.00 19.17 ? 427 ASN A OD1 1 ATOM 4062 N ND2 . ASN A 1 426 ? 40.794 33.492 28.080 1.00 14.28 ? 427 ASN A ND2 1 ATOM 4063 H H . ASN A 1 426 ? 42.168 32.782 24.854 1.00 7.43 ? 427 ASN A H 1 ATOM 4064 H HD21 . ASN A 1 426 ? 39.931 33.758 28.458 1.00 14.28 ? 427 ASN A HD21 1 ATOM 4065 H HD22 . ASN A 1 426 ? 41.534 34.122 27.967 1.00 14.28 ? 427 ASN A HD22 1 ATOM 4066 N N . ARG A 1 427 ? 45.038 31.498 26.023 1.00 7.82 ? 428 ARG A N 1 ATOM 4067 C CA . ARG A 1 427 ? 46.408 30.990 26.103 1.00 8.33 ? 428 ARG A CA 1 ATOM 4068 C C . ARG A 1 427 ? 47.415 32.133 25.956 1.00 8.75 ? 428 ARG A C 1 ATOM 4069 O O . ARG A 1 427 ? 48.451 32.145 26.630 1.00 8.59 ? 428 ARG A O 1 ATOM 4070 C CB . ARG A 1 427 ? 46.668 29.921 25.039 1.00 8.02 ? 428 ARG A CB 1 ATOM 4071 C CG . ARG A 1 427 ? 45.698 28.753 25.083 1.00 8.53 ? 428 ARG A CG 1 ATOM 4072 C CD . ARG A 1 427 ? 45.672 28.009 26.421 1.00 8.86 ? 428 ARG A CD 1 ATOM 4073 N NE . ARG A 1 427 ? 44.674 26.943 26.332 1.00 11.19 ? 428 ARG A NE 1 ATOM 4074 C CZ . ARG A 1 427 ? 43.436 27.029 26.811 1.00 11.69 ? 428 ARG A CZ 1 ATOM 4075 N NH1 . ARG A 1 427 ? 43.036 28.113 27.465 1.00 10.97 ? 428 ARG A NH1 1 ATOM 4076 N NH2 . ARG A 1 427 ? 42.544 26.098 26.496 1.00 13.85 ? 428 ARG A NH2 1 ATOM 4077 H H . ARG A 1 427 ? 44.459 31.189 25.296 1.00 7.82 ? 428 ARG A H 1 ATOM 4078 H HE . ARG A 1 427 ? 44.964 26.123 25.864 1.00 11.19 ? 428 ARG A HE 1 ATOM 4079 H HH11 . ARG A 1 427 ? 43.655 28.882 27.639 1.00 10.97 ? 428 ARG A HH11 1 ATOM 4080 H HH12 . ARG A 1 427 ? 42.101 28.176 27.828 1.00 10.97 ? 428 ARG A HH12 1 ATOM 4081 H HH21 . ARG A 1 427 ? 42.804 25.329 25.904 1.00 13.85 ? 428 ARG A HH21 1 ATOM 4082 H HH22 . ARG A 1 427 ? 41.594 26.140 26.832 1.00 13.85 ? 428 ARG A HH22 1 ATOM 4083 N N . ARG A 1 428 ? 47.114 33.080 25.072 1.00 8.71 ? 429 ARG A N 1 ATOM 4084 C CA . ARG A 1 428 ? 47.973 34.244 24.866 1.00 10.35 ? 429 ARG A CA 1 ATOM 4085 C C . ARG A 1 428 ? 48.108 35.007 26.183 1.00 11.28 ? 429 ARG A C 1 ATOM 4086 O O . ARG A 1 428 ? 49.167 35.572 26.474 1.00 12.32 ? 429 ARG A O 1 ATOM 4087 C CB . ARG A 1 428 ? 47.389 35.173 23.791 1.00 9.77 ? 429 ARG A CB 1 ATOM 4088 C CG . ARG A 1 428 ? 48.257 36.397 23.498 1.00 11.48 ? 429 ARG A CG 1 ATOM 4089 C CD . ARG A 1 428 ? 47.674 37.216 22.373 1.00 12.26 ? 429 ARG A CD 1 ATOM 4090 N NE . ARG A 1 428 ? 48.589 38.256 21.915 1.00 13.99 ? 429 ARG A NE 1 ATOM 4091 C CZ . ARG A 1 428 ? 48.526 39.535 22.278 1.00 15.44 ? 429 ARG A CZ 1 ATOM 4092 N NH1 . ARG A 1 428 ? 47.586 39.957 23.112 1.00 14.48 ? 429 ARG A NH1 1 ATOM 4093 N NH2 . ARG A 1 428 ? 49.403 40.404 21.790 1.00 17.53 ? 429 ARG A NH2 1 ATOM 4094 H H . ARG A 1 428 ? 46.299 32.997 24.523 1.00 8.71 ? 429 ARG A H 1 ATOM 4095 H HE . ARG A 1 428 ? 49.274 37.977 21.270 1.00 13.99 ? 429 ARG A HE 1 ATOM 4096 H HH11 . ARG A 1 428 ? 46.902 39.319 23.485 1.00 14.48 ? 429 ARG A HH11 1 ATOM 4097 H HH12 . ARG A 1 428 ? 47.531 40.917 23.398 1.00 14.48 ? 429 ARG A HH12 1 ATOM 4098 H HH21 . ARG A 1 428 ? 50.116 40.126 21.136 1.00 17.53 ? 429 ARG A HH21 1 ATOM 4099 H HH22 . ARG A 1 428 ? 49.351 41.368 22.069 1.00 17.53 ? 429 ARG A HH22 1 ATOM 4100 N N . ASN A 1 429 ? 47.041 35.000 26.983 1.00 10.86 ? 430 ASN A N 1 ATOM 4101 C CA . ASN A 1 429 ? 47.019 35.686 28.270 1.00 11.75 ? 430 ASN A CA 1 ATOM 4102 C C . ASN A 1 429 ? 47.414 34.774 29.425 1.00 12.07 ? 430 ASN A C 1 ATOM 4103 O O . ASN A 1 429 ? 47.184 35.117 30.591 1.00 13.05 ? 430 ASN A O 1 ATOM 4104 C CB . ASN A 1 429 ? 45.627 36.259 28.547 1.00 13.18 ? 430 ASN A CB 1 ATOM 4105 C CG . ASN A 1 429 ? 45.257 37.388 27.606 1.00 16.09 ? 430 ASN A CG 1 ATOM 4106 O OD1 . ASN A 1 429 ? 46.124 38.041 27.029 1.00 18.12 ? 430 ASN A OD1 1 ATOM 4107 N ND2 . ASN A 1 429 ? 43.959 37.634 27.458 1.00 16.19 ? 430 ASN A ND2 1 ATOM 4108 H H . ASN A 1 429 ? 46.231 34.532 26.689 1.00 10.86 ? 430 ASN A H 1 ATOM 4109 H HD21 . ASN A 1 429 ? 43.689 38.362 26.859 1.00 16.19 ? 430 ASN A HD21 1 ATOM 4110 H HD22 . ASN A 1 429 ? 43.319 37.074 27.956 1.00 16.19 ? 430 ASN A HD22 1 ATOM 4111 N N . SER A 1 430 ? 47.980 33.611 29.102 1.00 10.24 ? 431 SER A N 1 ATOM 4112 C CA . SER A 1 430 ? 48.404 32.633 30.102 1.00 12.47 ? 431 SER A CA 1 ATOM 4113 C C . SER A 1 430 ? 47.268 32.039 30.924 1.00 12.23 ? 431 SER A C 1 ATOM 4114 O O . SER A 1 430 ? 47.462 31.664 32.082 1.00 14.17 ? 431 SER A O 1 ATOM 4115 C CB . SER A 1 430 ? 49.467 33.221 31.045 1.00 13.89 ? 431 SER A CB 1 ATOM 4116 O OG . SER A 1 430 ? 50.656 33.510 30.331 1.00 17.81 ? 431 SER A OG 1 ATOM 4117 H H . SER A 1 430 ? 48.131 33.398 28.160 1.00 10.24 ? 431 SER A H 1 ATOM 4118 H HG . SER A 1 430 ? 50.471 34.344 29.869 1.00 17.81 ? 431 SER A HG 1 ATOM 4119 N N . VAL A 1 431 ? 46.074 32.004 30.352 1.00 10.24 ? 432 VAL A N 1 ATOM 4120 C CA . VAL A 1 431 ? 44.932 31.413 31.037 1.00 10.51 ? 432 VAL A CA 1 ATOM 4121 C C . VAL A 1 431 ? 44.855 30.008 30.469 1.00 10.23 ? 432 VAL A C 1 ATOM 4122 O O . VAL A 1 431 ? 44.598 29.816 29.277 1.00 9.78 ? 432 VAL A O 1 ATOM 4123 C CB . VAL A 1 431 ? 43.638 32.182 30.772 1.00 10.71 ? 432 VAL A CB 1 ATOM 4124 C CG1 . VAL A 1 431 ? 42.463 31.434 31.382 1.00 10.86 ? 432 VAL A CG1 1 ATOM 4125 C CG2 . VAL A 1 431 ? 43.743 33.583 31.375 1.00 10.51 ? 432 VAL A CG2 1 ATOM 4126 H H . VAL A 1 431 ? 45.966 32.362 29.458 1.00 10.24 ? 432 VAL A H 1 ATOM 4127 N N . VAL A 1 432 ? 45.144 29.031 31.317 1.00 9.79 ? 433 VAL A N 1 ATOM 4128 C CA . VAL A 1 432 ? 45.182 27.642 30.884 1.00 10.23 ? 433 VAL A CA 1 ATOM 4129 C C . VAL A 1 432 ? 44.050 26.796 31.460 1.00 10.81 ? 433 VAL A C 1 ATOM 4130 O O . VAL A 1 432 ? 43.444 27.158 32.477 1.00 11.30 ? 433 VAL A O 1 ATOM 4131 C CB . VAL A 1 432 ? 46.565 27.011 31.198 1.00 10.62 ? 433 VAL A CB 1 ATOM 4132 C CG1 . VAL A 1 432 ? 47.659 27.749 30.429 1.00 11.37 ? 433 VAL A CG1 1 ATOM 4133 C CG2 . VAL A 1 432 ? 46.839 27.050 32.697 1.00 10.38 ? 433 VAL A CG2 1 ATOM 4134 H H . VAL A 1 432 ? 45.297 29.252 32.265 1.00 9.79 ? 433 VAL A H 1 ATOM 4135 N N . PRO A 1 433 ? 43.744 25.660 30.812 1.00 10.75 ? 434 PRO A N 1 ATOM 4136 C CA . PRO A 1 433 ? 42.670 24.791 31.286 1.00 10.97 ? 434 PRO A CA 1 ATOM 4137 C C . PRO A 1 433 ? 43.142 23.855 32.380 1.00 11.32 ? 434 PRO A C 1 ATOM 4138 O O . PRO A 1 433 ? 44.342 23.702 32.610 1.00 12.88 ? 434 PRO A O 1 ATOM 4139 C CB . PRO A 1 433 ? 42.315 24.005 30.032 1.00 10.75 ? 434 PRO A CB 1 ATOM 4140 C CG . PRO A 1 433 ? 43.661 23.769 29.422 1.00 11.43 ? 434 PRO A CG 1 ATOM 4141 C CD . PRO A 1 433 ? 44.360 25.114 29.585 1.00 10.07 ? 434 PRO A CD 1 ATOM 4142 N N . PRO A 1 434 ? 42.199 23.242 33.096 1.00 11.38 ? 435 PRO A N 1 ATOM 4143 C CA . PRO A 1 434 ? 42.548 22.309 34.164 1.00 11.50 ? 435 PRO A CA 1 ATOM 4144 C C . PRO A 1 434 ? 43.334 21.122 33.583 1.00 10.01 ? 435 PRO A C 1 ATOM 4145 O O . PRO A 1 434 ? 43.164 20.746 32.416 1.00 8.54 ? 435 PRO A O 1 ATOM 4146 C CB . PRO A 1 434 ? 41.177 21.873 34.687 1.00 12.31 ? 435 PRO A CB 1 ATOM 4147 C CG . PRO A 1 434 ? 40.334 23.105 34.461 1.00 11.75 ? 435 PRO A CG 1 ATOM 4148 C CD . PRO A 1 434 ? 40.749 23.525 33.086 1.00 10.90 ? 435 PRO A CD 1 ATOM 4149 N N . SER A 1 435 ? 44.213 20.553 34.393 1.00 9.86 ? 436 SER A N 1 ATOM 4150 C CA . SER A 1 435 ? 45.018 19.415 33.977 1.00 11.01 ? 436 SER A CA 1 ATOM 4151 C C . SER A 1 435 ? 44.124 18.173 33.807 1.00 10.58 ? 436 SER A C 1 ATOM 4152 O O . SER A 1 435 ? 43.084 18.078 34.444 1.00 11.16 ? 436 SER A O 1 ATOM 4153 C CB . SER A 1 435 ? 46.107 19.175 35.029 1.00 10.86 ? 436 SER A CB 1 ATOM 4154 O OG . SER A 1 435 ? 46.708 17.909 34.873 1.00 17.10 ? 436 SER A OG 1 ATOM 4155 H H . SER A 1 435 ? 44.323 20.889 35.310 1.00 9.86 ? 436 SER A H 1 ATOM 4156 H HG . SER A 1 435 ? 47.367 17.892 35.588 1.00 17.10 ? 436 SER A HG 1 ATOM 4157 N N . TRP A 1 436 ? 44.488 17.261 32.909 1.00 9.40 ? 437 TRP A N 1 ATOM 4158 C CA . TRP A 1 436 ? 43.699 16.037 32.710 1.00 9.24 ? 437 TRP A CA 1 ATOM 4159 C C . TRP A 1 436 ? 44.429 14.796 33.217 1.00 9.62 ? 437 TRP A C 1 ATOM 4160 O O . TRP A 1 436 ? 43.940 13.680 33.071 1.00 11.30 ? 437 TRP A O 1 ATOM 4161 C CB . TRP A 1 436 ? 43.255 15.855 31.237 1.00 8.80 ? 437 TRP A CB 1 ATOM 4162 C CG . TRP A 1 436 ? 44.353 15.845 30.174 1.00 7.46 ? 437 TRP A CG 1 ATOM 4163 C CD1 . TRP A 1 436 ? 44.795 16.919 29.450 1.00 5.78 ? 437 TRP A CD1 1 ATOM 4164 C CD2 . TRP A 1 436 ? 45.097 14.707 29.696 1.00 7.57 ? 437 TRP A CD2 1 ATOM 4165 N NE1 . TRP A 1 436 ? 45.757 16.520 28.557 1.00 6.27 ? 437 TRP A NE1 1 ATOM 4166 C CE2 . TRP A 1 436 ? 45.966 15.173 28.684 1.00 6.50 ? 437 TRP A CE2 1 ATOM 4167 C CE3 . TRP A 1 436 ? 45.113 13.340 30.025 1.00 8.05 ? 437 TRP A CE3 1 ATOM 4168 C CZ2 . TRP A 1 436 ? 46.845 14.324 27.997 1.00 7.47 ? 437 TRP A CZ2 1 ATOM 4169 C CZ3 . TRP A 1 436 ? 45.989 12.493 29.342 1.00 8.02 ? 437 TRP A CZ3 1 ATOM 4170 C CH2 . TRP A 1 436 ? 46.842 12.990 28.339 1.00 8.52 ? 437 TRP A CH2 1 ATOM 4171 H H . TRP A 1 436 ? 45.294 17.410 32.378 1.00 9.40 ? 437 TRP A H 1 ATOM 4172 H HE1 . TRP A 1 436 ? 46.271 17.108 27.959 1.00 6.27 ? 437 TRP A HE1 1 ATOM 4173 N N . GLY A 1 437 ? 45.606 14.996 33.803 1.00 9.80 ? 438 GLY A N 1 ATOM 4174 C CA . GLY A 1 437 ? 46.362 13.879 34.344 1.00 9.21 ? 438 GLY A CA 1 ATOM 4175 C C . GLY A 1 437 ? 47.430 13.308 33.439 1.00 8.68 ? 438 GLY A C 1 ATOM 4176 O O . GLY A 1 437 ? 47.829 12.158 33.604 1.00 10.06 ? 438 GLY A O 1 ATOM 4177 H H . GLY A 1 437 ? 45.996 15.900 33.858 1.00 9.80 ? 438 GLY A H 1 ATOM 4178 N N . GLU A 1 438 ? 47.924 14.115 32.508 1.00 7.76 ? 439 GLU A N 1 ATOM 4179 C CA . GLU A 1 438 ? 48.954 13.666 31.575 1.00 7.47 ? 439 GLU A CA 1 ATOM 4180 C C . GLU A 1 438 ? 50.207 13.127 32.276 1.00 7.55 ? 439 GLU A C 1 ATOM 4181 O O . GLU A 1 438 ? 50.825 12.164 31.808 1.00 7.00 ? 439 GLU A O 1 ATOM 4182 C CB . GLU A 1 438 ? 49.343 14.824 30.652 1.00 8.48 ? 439 GLU A CB 1 ATOM 4183 C CG . GLU A 1 438 ? 50.278 14.453 29.501 1.00 8.59 ? 439 GLU A CG 1 ATOM 4184 C CD . GLU A 1 438 ? 51.763 14.435 29.860 1.00 11.46 ? 439 GLU A CD 1 ATOM 4185 O OE1 . GLU A 1 438 ? 52.164 14.893 30.956 1.00 10.31 ? 439 GLU A OE1 1 ATOM 4186 O OE2 . GLU A 1 438 ? 52.538 13.964 29.009 1.00 10.05 ? 439 GLU A OE2 1 ATOM 4187 H H . GLU A 1 438 ? 47.629 15.043 32.470 1.00 7.76 ? 439 GLU A H 1 ATOM 4188 N N . THR A 1 439 ? 50.548 13.714 33.421 1.00 8.85 ? 440 THR A N 1 ATOM 4189 C CA . THR A 1 439 ? 51.761 13.316 34.132 1.00 11.55 ? 440 THR A CA 1 ATOM 4190 C C . THR A 1 439 ? 51.796 11.891 34.627 1.00 12.59 ? 440 THR A C 1 ATOM 4191 O O . THR A 1 439 ? 52.856 11.398 34.999 1.00 14.19 ? 440 THR A O 1 ATOM 4192 C CB . THR A 1 439 ? 52.114 14.279 35.265 1.00 12.10 ? 440 THR A CB 1 ATOM 4193 O OG1 . THR A 1 439 ? 51.020 14.346 36.187 1.00 16.00 ? 440 THR A OG1 1 ATOM 4194 C CG2 . THR A 1 439 ? 52.399 15.660 34.700 1.00 12.25 ? 440 THR A CG2 1 ATOM 4195 H H . THR A 1 439 ? 49.990 14.431 33.795 1.00 8.85 ? 440 THR A H 1 ATOM 4196 H HG1 . THR A 1 439 ? 51.262 14.896 36.939 1.00 16.00 ? 440 THR A HG1 1 ATOM 4197 N N . SER A 1 440 ? 50.654 11.218 34.634 1.00 12.82 ? 441 SER A N 1 ATOM 4198 C CA . SER A 1 440 ? 50.634 9.825 35.051 1.00 14.40 ? 441 SER A CA 1 ATOM 4199 C C . SER A 1 440 ? 50.056 8.968 33.922 1.00 14.55 ? 441 SER A C 1 ATOM 4200 O O . SER A 1 440 ? 49.635 7.826 34.138 1.00 14.65 ? 441 SER A O 1 ATOM 4201 C CB . SER A 1 440 ? 49.834 9.662 36.347 1.00 16.18 ? 441 SER A CB 1 ATOM 4202 O OG . SER A 1 440 ? 48.458 9.946 36.158 1.00 22.95 ? 441 SER A OG 1 ATOM 4203 H H . SER A 1 440 ? 49.807 11.642 34.383 1.00 12.82 ? 441 SER A H 1 ATOM 4204 H HG . SER A 1 440 ? 48.122 9.233 35.598 1.00 22.95 ? 441 SER A HG 1 ATOM 4205 N N . ALA A 1 441 ? 50.088 9.503 32.706 1.00 12.29 ? 442 ALA A N 1 ATOM 4206 C CA . ALA A 1 441 ? 49.554 8.794 31.561 1.00 11.51 ? 442 ALA A CA 1 ATOM 4207 C C . ALA A 1 441 ? 50.370 9.061 30.290 1.00 12.83 ? 442 ALA A C 1 ATOM 4208 O O . ALA A 1 441 ? 49.816 9.287 29.211 1.00 11.59 ? 442 ALA A O 1 ATOM 4209 C CB . ALA A 1 441 ? 48.074 9.180 31.364 1.00 11.72 ? 442 ALA A CB 1 ATOM 4210 H H . ALA A 1 441 ? 50.488 10.384 32.556 1.00 12.29 ? 442 ALA A H 1 ATOM 4211 N N . SER A 1 442 ? 51.694 9.049 30.413 1.00 11.25 ? 443 SER A N 1 ATOM 4212 C CA . SER A 1 442 ? 52.535 9.264 29.244 1.00 11.37 ? 443 SER A CA 1 ATOM 4213 C C . SER A 1 442 ? 53.513 8.108 29.061 1.00 11.88 ? 443 SER A C 1 ATOM 4214 O O . SER A 1 442 ? 54.367 8.144 28.186 1.00 11.30 ? 443 SER A O 1 ATOM 4215 C CB . SER A 1 442 ? 53.271 10.609 29.321 1.00 13.84 ? 443 SER A CB 1 ATOM 4216 O OG . SER A 1 442 ? 54.345 10.574 30.264 1.00 15.27 ? 443 SER A OG 1 ATOM 4217 H H . SER A 1 442 ? 52.103 8.912 31.296 1.00 11.25 ? 443 SER A H 1 ATOM 4218 N N . SER A 1 443 ? 53.367 7.073 29.878 1.00 11.75 ? 444 SER A N 1 ATOM 4219 C CA . SER A 1 443 ? 54.226 5.897 29.806 1.00 13.81 ? 444 SER A CA 1 ATOM 4220 C C . SER A 1 443 ? 53.713 4.949 28.724 1.00 13.59 ? 444 SER A C 1 ATOM 4221 O O . SER A 1 443 ? 52.568 4.498 28.775 1.00 14.06 ? 444 SER A O 1 ATOM 4222 C CB . SER A 1 443 ? 54.222 5.186 31.153 1.00 16.41 ? 444 SER A CB 1 ATOM 4223 O OG . SER A 1 443 ? 54.857 3.918 31.055 1.00 23.94 ? 444 SER A OG 1 ATOM 4224 H H . SER A 1 443 ? 52.644 7.072 30.539 1.00 11.75 ? 444 SER A H 1 ATOM 4225 N N . VAL A 1 444 ? 54.565 4.633 27.755 1.00 12.76 ? 445 VAL A N 1 ATOM 4226 C CA . VAL A 1 444 ? 54.179 3.754 26.650 1.00 13.62 ? 445 VAL A CA 1 ATOM 4227 C C . VAL A 1 444 ? 54.490 2.285 26.936 1.00 14.23 ? 445 VAL A C 1 ATOM 4228 O O . VAL A 1 444 ? 55.592 1.960 27.380 1.00 14.93 ? 445 VAL A O 1 ATOM 4229 C CB . VAL A 1 444 ? 54.901 4.175 25.348 1.00 13.41 ? 445 VAL A CB 1 ATOM 4230 C CG1 . VAL A 1 444 ? 54.463 3.306 24.184 1.00 14.65 ? 445 VAL A CG1 1 ATOM 4231 C CG2 . VAL A 1 444 ? 54.631 5.649 25.048 1.00 14.39 ? 445 VAL A CG2 1 ATOM 4232 H H . VAL A 1 444 ? 55.478 5.004 27.776 1.00 12.76 ? 445 VAL A H 1 ATOM 4233 N N . PRO A 1 445 ? 53.506 1.384 26.749 1.00 14.51 ? 446 PRO A N 1 ATOM 4234 C CA . PRO A 1 445 ? 53.731 -0.048 26.992 1.00 15.37 ? 446 PRO A CA 1 ATOM 4235 C C . PRO A 1 445 ? 54.814 -0.577 26.047 1.00 16.56 ? 446 PRO A C 1 ATOM 4236 O O . PRO A 1 445 ? 55.005 -0.048 24.949 1.00 15.53 ? 446 PRO A O 1 ATOM 4237 C CB . PRO A 1 445 ? 52.377 -0.668 26.648 1.00 15.96 ? 446 PRO A CB 1 ATOM 4238 C CG . PRO A 1 445 ? 51.413 0.419 26.998 1.00 15.52 ? 446 PRO A CG 1 ATOM 4239 C CD . PRO A 1 445 ? 52.091 1.640 26.426 1.00 14.26 ? 446 PRO A CD 1 ATOM 4240 N N . GLY A 1 446 ? 55.498 -1.636 26.466 1.00 17.95 ? 447 GLY A N 1 ATOM 4241 C CA . GLY A 1 446 ? 56.548 -2.210 25.640 1.00 18.40 ? 447 GLY A CA 1 ATOM 4242 C C . GLY A 1 446 ? 56.047 -2.866 24.366 1.00 19.76 ? 447 GLY A C 1 ATOM 4243 O O . GLY A 1 446 ? 56.759 -2.912 23.359 1.00 20.21 ? 447 GLY A O 1 ATOM 4244 H H . GLY A 1 446 ? 55.288 -2.063 27.323 1.00 17.95 ? 447 GLY A H 1 ATOM 4245 N N . THR A 1 447 ? 54.821 -3.374 24.400 1.00 19.26 ? 448 THR A N 1 ATOM 4246 C CA . THR A 1 447 ? 54.237 -4.029 23.232 1.00 19.19 ? 448 THR A CA 1 ATOM 4247 C C . THR A 1 447 ? 52.792 -3.557 23.069 1.00 16.56 ? 448 THR A C 1 ATOM 4248 O O . THR A 1 447 ? 52.035 -3.532 24.039 1.00 18.50 ? 448 THR A O 1 ATOM 4249 C CB . THR A 1 447 ? 54.265 -5.581 23.388 1.00 20.26 ? 448 THR A CB 1 ATOM 4250 O OG1 . THR A 1 447 ? 55.618 -6.014 23.603 1.00 24.77 ? 448 THR A OG1 1 ATOM 4251 C CG2 . THR A 1 447 ? 53.714 -6.271 22.135 1.00 21.23 ? 448 THR A CG2 1 ATOM 4252 H H . THR A 1 447 ? 54.294 -3.323 25.222 1.00 19.26 ? 448 THR A H 1 ATOM 4253 H HG1 . THR A 1 447 ? 56.181 -5.601 22.930 1.00 24.77 ? 448 THR A HG1 1 ATOM 4254 N N . CYS A 1 448 ? 52.435 -3.143 21.856 1.00 14.93 ? 449 CYS A N 1 ATOM 4255 C CA . CYS A 1 448 ? 51.081 -2.678 21.569 1.00 13.72 ? 449 CYS A CA 1 ATOM 4256 C C . CYS A 1 448 ? 50.222 -3.860 21.142 1.00 13.94 ? 449 CYS A C 1 ATOM 4257 O O . CYS A 1 448 ? 50.697 -4.753 20.446 1.00 15.28 ? 449 CYS A O 1 ATOM 4258 C CB . CYS A 1 448 ? 51.079 -1.662 20.430 1.00 12.18 ? 449 CYS A CB 1 ATOM 4259 S SG . CYS A 1 448 ? 52.183 -0.231 20.624 1.00 12.99 ? 449 CYS A SG 1 ATOM 4260 H H . CYS A 1 448 ? 53.080 -3.165 21.115 1.00 14.93 ? 449 CYS A H 1 ATOM 4261 N N . ALA A 1 449 ? 48.950 -3.847 21.529 1.00 13.38 ? 450 ALA A N 1 ATOM 4262 C CA . ALA A 1 449 ? 48.028 -4.912 21.162 1.00 12.55 ? 450 ALA A CA 1 ATOM 4263 C C . ALA A 1 449 ? 46.807 -4.309 20.485 1.00 12.14 ? 450 ALA A C 1 ATOM 4264 O O . ALA A 1 449 ? 46.413 -3.187 20.811 1.00 12.26 ? 450 ALA A O 1 ATOM 4265 C CB . ALA A 1 449 ? 47.599 -5.681 22.406 1.00 14.39 ? 450 ALA A CB 1 ATOM 4266 H H . ALA A 1 449 ? 48.611 -3.084 22.039 1.00 13.38 ? 450 ALA A H 1 ATOM 4267 N N . ALA A 1 450 ? 46.286 -5.005 19.477 1.00 10.81 ? 451 ALA A N 1 ATOM 4268 C CA . ALA A 1 450 ? 45.065 -4.591 18.778 1.00 9.76 ? 451 ALA A CA 1 ATOM 4269 C C . ALA A 1 450 ? 44.053 -5.196 19.742 1.00 12.00 ? 451 ALA A C 1 ATOM 4270 O O . ALA A 1 450 ? 43.943 -6.427 19.840 1.00 13.94 ? 451 ALA A O 1 ATOM 4271 C CB . ALA A 1 450 ? 44.974 -5.264 17.422 1.00 9.67 ? 451 ALA A CB 1 ATOM 4272 H H . ALA A 1 450 ? 46.735 -5.835 19.210 1.00 10.81 ? 451 ALA A H 1 ATOM 4273 N N A THR A 1 451 ? 43.302 -4.353 20.441 0.58 10.95 ? 452 THR A N 1 ATOM 4274 N N B THR A 1 451 ? 43.355 -4.347 20.491 0.42 11.22 ? 452 THR A N 1 ATOM 4275 C CA A THR A 1 451 ? 42.339 -4.863 21.399 0.58 10.89 ? 452 THR A CA 1 ATOM 4276 C CA B THR A 1 451 ? 42.425 -4.824 21.507 0.42 10.99 ? 452 THR A CA 1 ATOM 4277 C C A THR A 1 451 ? 41.224 -3.862 21.699 0.58 9.78 ? 452 THR A C 1 ATOM 4278 C C B THR A 1 451 ? 41.286 -3.828 21.766 0.42 9.95 ? 452 THR A C 1 ATOM 4279 O O A THR A 1 451 ? 41.109 -2.824 21.035 0.58 8.22 ? 452 THR A O 1 ATOM 4280 O O B THR A 1 451 ? 41.197 -2.779 21.115 0.42 8.96 ? 452 THR A O 1 ATOM 4281 C CB A THR A 1 451 ? 43.059 -5.302 22.704 0.58 13.92 ? 452 THR A CB 1 ATOM 4282 C CB B THR A 1 451 ? 43.231 -5.073 22.831 0.42 13.29 ? 452 THR A CB 1 ATOM 4283 O OG1 A THR A 1 451 ? 42.159 -6.075 23.521 0.58 16.39 ? 452 THR A OG1 1 ATOM 4284 O OG1 B THR A 1 451 ? 42.413 -5.714 23.832 0.42 15.64 ? 452 THR A OG1 1 ATOM 4285 C CG2 A THR A 1 451 ? 43.576 -4.088 23.489 0.58 12.62 ? 452 THR A CG2 1 ATOM 4286 C CG2 B THR A 1 451 ? 43.786 -3.756 23.380 0.42 12.16 ? 452 THR A CG2 1 ATOM 4287 H H A THR A 1 451 ? 43.364 -3.385 20.295 0.58 10.95 ? 452 THR A H 1 ATOM 4288 H H B THR A 1 451 ? 43.433 -3.380 20.345 0.42 11.22 ? 452 THR A H 1 ATOM 4289 N N . SER A 1 452 ? 40.398 -4.196 22.688 1.00 9.12 ? 453 SER A N 1 ATOM 4290 C CA . SER A 1 452 ? 39.272 -3.360 23.094 1.00 8.43 ? 453 SER A CA 1 ATOM 4291 C C . SER A 1 452 ? 38.811 -3.900 24.449 1.00 8.13 ? 453 SER A C 1 ATOM 4292 O O . SER A 1 452 ? 39.284 -4.941 24.917 1.00 7.41 ? 453 SER A O 1 ATOM 4293 C CB . SER A 1 452 ? 38.095 -3.531 22.123 1.00 10.65 ? 453 SER A CB 1 ATOM 4294 O OG . SER A 1 452 ? 37.349 -4.703 22.489 1.00 15.84 ? 453 SER A OG 1 ATOM 4295 H H . SER A 1 452 ? 40.507 -5.041 23.157 1.00 9.12 ? 453 SER A H 1 ATOM 4296 N N . ALA A 1 453 ? 37.873 -3.196 25.063 1.00 7.41 ? 454 ALA A N 1 ATOM 4297 C CA . ALA A 1 453 ? 37.267 -3.636 26.304 1.00 7.82 ? 454 ALA A CA 1 ATOM 4298 C C . ALA A 1 453 ? 35.850 -3.097 26.204 1.00 9.14 ? 454 ALA A C 1 ATOM 4299 O O . ALA A 1 453 ? 35.631 -1.968 25.745 1.00 10.71 ? 454 ALA A O 1 ATOM 4300 C CB . ALA A 1 453 ? 37.982 -3.059 27.523 1.00 6.44 ? 454 ALA A CB 1 ATOM 4301 H H . ALA A 1 453 ? 37.568 -2.336 24.682 1.00 7.41 ? 454 ALA A H 1 ATOM 4302 N N A SER A 1 454 ? 34.876 -3.926 26.556 0.41 8.81 ? 455 SER A N 1 ATOM 4303 N N B SER A 1 454 ? 34.879 -3.921 26.557 0.59 8.67 ? 455 SER A N 1 ATOM 4304 C CA A SER A 1 454 ? 33.486 -3.500 26.517 0.41 9.55 ? 455 SER A CA 1 ATOM 4305 C CA B SER A 1 454 ? 33.502 -3.473 26.511 0.59 9.65 ? 455 SER A CA 1 ATOM 4306 C C A SER A 1 454 ? 33.092 -2.992 27.897 0.41 10.01 ? 455 SER A C 1 ATOM 4307 C C B SER A 1 454 ? 33.113 -2.979 27.893 0.59 10.24 ? 455 SER A C 1 ATOM 4308 O O A SER A 1 454 ? 33.334 -3.663 28.904 0.41 11.33 ? 455 SER A O 1 ATOM 4309 O O B SER A 1 454 ? 33.391 -3.638 28.899 0.59 12.03 ? 455 SER A O 1 ATOM 4310 C CB A SER A 1 454 ? 32.570 -4.652 26.103 0.41 10.42 ? 455 SER A CB 1 ATOM 4311 C CB B SER A 1 454 ? 32.582 -4.599 26.072 0.59 11.12 ? 455 SER A CB 1 ATOM 4312 O OG A SER A 1 454 ? 31.206 -4.229 26.165 0.41 11.56 ? 455 SER A OG 1 ATOM 4313 O OG B SER A 1 454 ? 31.275 -4.074 25.856 0.59 12.66 ? 455 SER A OG 1 ATOM 4314 H H A SER A 1 454 ? 35.083 -4.830 26.878 0.41 8.81 ? 455 SER A H 1 ATOM 4315 H H B SER A 1 454 ? 35.068 -4.834 26.874 0.59 8.67 ? 455 SER A H 1 ATOM 4316 N N . GLY A 1 455 ? 32.510 -1.798 27.943 1.00 9.65 ? 456 GLY A N 1 ATOM 4317 C CA . GLY A 1 455 ? 32.108 -1.225 29.210 1.00 9.85 ? 456 GLY A CA 1 ATOM 4318 C C . GLY A 1 455 ? 30.668 -1.539 29.544 1.00 10.53 ? 456 GLY A C 1 ATOM 4319 O O . GLY A 1 455 ? 30.261 -2.703 29.622 1.00 10.73 ? 456 GLY A O 1 ATOM 4320 H H . GLY A 1 455 ? 32.353 -1.326 27.116 1.00 9.65 ? 456 GLY A H 1 ATOM 4321 N N . THR A 1 456 ? 29.879 -0.486 29.685 1.00 9.11 ? 457 THR A N 1 ATOM 4322 C CA . THR A 1 456 ? 28.487 -0.656 30.018 1.00 8.60 ? 457 THR A CA 1 ATOM 4323 C C . THR A 1 456 ? 27.639 0.513 29.527 1.00 7.24 ? 457 THR A C 1 ATOM 4324 O O . THR A 1 456 ? 28.108 1.655 29.467 1.00 7.23 ? 457 THR A O 1 ATOM 4325 C CB . THR A 1 456 ? 28.325 -0.882 31.514 1.00 10.29 ? 457 THR A CB 1 ATOM 4326 O OG1 . THR A 1 456 ? 26.967 -1.257 31.754 1.00 14.51 ? 457 THR A OG1 1 ATOM 4327 C CG2 . THR A 1 456 ? 28.682 0.358 32.319 1.00 10.63 ? 457 THR A CG2 1 ATOM 4328 H H . THR A 1 456 ? 30.208 0.431 29.576 1.00 9.11 ? 457 THR A H 1 ATOM 4329 N N . TYR A 1 457 ? 26.403 0.211 29.139 1.00 6.17 ? 458 TYR A N 1 ATOM 4330 C CA . TYR A 1 457 ? 25.504 1.232 28.621 1.00 5.52 ? 458 TYR A CA 1 ATOM 4331 C C . TYR A 1 457 ? 24.198 1.255 29.395 1.00 6.13 ? 458 TYR A C 1 ATOM 4332 O O . TYR A 1 457 ? 23.647 0.205 29.724 1.00 6.94 ? 458 TYR A O 1 ATOM 4333 C CB . TYR A 1 457 ? 25.196 0.965 27.143 1.00 5.44 ? 458 TYR A CB 1 ATOM 4334 C CG . TYR A 1 457 ? 26.409 1.002 26.238 1.00 5.87 ? 458 TYR A CG 1 ATOM 4335 C CD1 . TYR A 1 457 ? 26.957 2.212 25.828 1.00 7.13 ? 458 TYR A CD1 1 ATOM 4336 C CD2 . TYR A 1 457 ? 26.998 -0.177 25.784 1.00 5.91 ? 458 TYR A CD2 1 ATOM 4337 C CE1 . TYR A 1 457 ? 28.062 2.252 24.984 1.00 6.77 ? 458 TYR A CE1 1 ATOM 4338 C CE2 . TYR A 1 457 ? 28.110 -0.151 24.939 1.00 6.60 ? 458 TYR A CE2 1 ATOM 4339 C CZ . TYR A 1 457 ? 28.631 1.070 24.544 1.00 7.56 ? 458 TYR A CZ 1 ATOM 4340 O OH . TYR A 1 457 ? 29.717 1.111 23.701 1.00 8.75 ? 458 TYR A OH 1 ATOM 4341 H H . TYR A 1 457 ? 26.065 -0.714 29.224 1.00 6.17 ? 458 TYR A H 1 ATOM 4342 H HH . TYR A 1 457 ? 29.750 1.985 23.293 1.00 8.75 ? 458 TYR A HH 1 ATOM 4343 N N . SER A 1 458 ? 23.691 2.453 29.641 1.00 5.08 ? 459 SER A N 1 ATOM 4344 C CA . SER A 1 458 ? 22.433 2.596 30.345 1.00 6.01 ? 459 SER A CA 1 ATOM 4345 C C . SER A 1 458 ? 21.863 3.983 30.075 1.00 4.90 ? 459 SER A C 1 ATOM 4346 O O . SER A 1 458 ? 22.573 4.983 30.166 1.00 4.73 ? 459 SER A O 1 ATOM 4347 C CB . SER A 1 458 ? 22.642 2.365 31.835 1.00 5.80 ? 459 SER A CB 1 ATOM 4348 O OG . SER A 1 458 ? 21.377 2.321 32.490 1.00 6.64 ? 459 SER A OG 1 ATOM 4349 H H . SER A 1 458 ? 24.159 3.270 29.360 1.00 5.08 ? 459 SER A H 1 ATOM 4350 N N . SER A 1 459 ? 20.593 4.036 29.693 1.00 4.97 ? 460 SER A N 1 ATOM 4351 C CA . SER A 1 459 ? 19.952 5.303 29.379 1.00 4.93 ? 460 SER A CA 1 ATOM 4352 C C . SER A 1 459 ? 19.763 6.192 30.601 1.00 6.04 ? 460 SER A C 1 ATOM 4353 O O . SER A 1 459 ? 19.259 5.749 31.638 1.00 6.32 ? 460 SER A O 1 ATOM 4354 C CB . SER A 1 459 ? 18.593 5.057 28.715 1.00 5.24 ? 460 SER A CB 1 ATOM 4355 O OG . SER A 1 459 ? 17.986 6.309 28.382 1.00 6.74 ? 460 SER A OG 1 ATOM 4356 H H . SER A 1 459 ? 20.063 3.208 29.635 1.00 4.97 ? 460 SER A H 1 ATOM 4357 N N . VAL A 1 460 ? 20.121 7.460 30.449 1.00 5.85 ? 461 VAL A N 1 ATOM 4358 C CA . VAL A 1 460 ? 20.007 8.430 31.527 1.00 6.34 ? 461 VAL A CA 1 ATOM 4359 C C . VAL A 1 460 ? 18.803 9.333 31.317 1.00 7.42 ? 461 VAL A C 1 ATOM 4360 O O . VAL A 1 460 ? 18.537 9.787 30.200 1.00 7.24 ? 461 VAL A O 1 ATOM 4361 C CB . VAL A 1 460 ? 21.274 9.308 31.601 1.00 6.40 ? 461 VAL A CB 1 ATOM 4362 C CG1 . VAL A 1 460 ? 21.207 10.242 32.821 1.00 8.20 ? 461 VAL A CG1 1 ATOM 4363 C CG2 . VAL A 1 460 ? 22.517 8.419 31.671 1.00 6.73 ? 461 VAL A CG2 1 ATOM 4364 H H . VAL A 1 460 ? 20.470 7.769 29.584 1.00 5.85 ? 461 VAL A H 1 ATOM 4365 N N . THR A 1 461 ? 18.077 9.585 32.398 1.00 9.13 ? 462 THR A N 1 ATOM 4366 C CA . THR A 1 461 ? 16.913 10.463 32.368 1.00 11.44 ? 462 THR A CA 1 ATOM 4367 C C . THR A 1 461 ? 17.209 11.582 33.346 1.00 12.09 ? 462 THR A C 1 ATOM 4368 O O . THR A 1 461 ? 17.513 11.327 34.517 1.00 12.18 ? 462 THR A O 1 ATOM 4369 C CB . THR A 1 461 ? 15.651 9.710 32.815 1.00 14.26 ? 462 THR A CB 1 ATOM 4370 O OG1 . THR A 1 461 ? 15.439 8.595 31.933 1.00 15.02 ? 462 THR A OG1 1 ATOM 4371 C CG2 . THR A 1 461 ? 14.428 10.623 32.789 1.00 15.58 ? 462 THR A CG2 1 ATOM 4372 H H . THR A 1 461 ? 18.327 9.193 33.269 1.00 9.13 ? 462 THR A H 1 ATOM 4373 N N . VAL A 1 462 ? 17.179 12.818 32.872 1.00 13.93 ? 463 VAL A N 1 ATOM 4374 C CA . VAL A 1 462 ? 17.457 13.943 33.752 1.00 18.36 ? 463 VAL A CA 1 ATOM 4375 C C . VAL A 1 462 ? 16.132 14.489 34.280 1.00 23.50 ? 463 VAL A C 1 ATOM 4376 O O . VAL A 1 462 ? 15.448 15.244 33.596 1.00 23.46 ? 463 VAL A O 1 ATOM 4377 C CB . VAL A 1 462 ? 18.260 15.042 33.030 1.00 16.98 ? 463 VAL A CB 1 ATOM 4378 C CG1 . VAL A 1 462 ? 18.532 16.205 33.970 1.00 17.30 ? 463 VAL A CG1 1 ATOM 4379 C CG2 . VAL A 1 462 ? 19.574 14.471 32.524 1.00 16.28 ? 463 VAL A CG2 1 ATOM 4380 H H . VAL A 1 462 ? 16.947 12.993 31.932 1.00 13.93 ? 463 VAL A H 1 ATOM 4381 N N . THR A 1 463 ? 15.769 14.052 35.485 1.00 29.04 ? 464 THR A N 1 ATOM 4382 C CA . THR A 1 463 ? 14.530 14.462 36.140 1.00 35.47 ? 464 THR A CA 1 ATOM 4383 C C . THR A 1 463 ? 14.526 15.975 36.391 1.00 35.62 ? 464 THR A C 1 ATOM 4384 O O . THR A 1 463 ? 13.590 16.668 35.990 1.00 37.69 ? 464 THR A O 1 ATOM 4385 C CB . THR A 1 463 ? 14.311 13.670 37.461 1.00 40.20 ? 464 THR A CB 1 ATOM 4386 O OG1 . THR A 1 463 ? 14.181 12.259 37.162 1.00 47.23 ? 464 THR A OG1 1 ATOM 4387 C CG2 . THR A 1 463 ? 13.052 14.148 38.177 1.00 42.36 ? 464 THR A CG2 1 ATOM 4388 H H . THR A 1 463 ? 16.375 13.449 35.968 1.00 29.04 ? 464 THR A H 1 ATOM 4389 N N . SER A 1 464 ? 15.581 16.490 37.018 1.00 34.69 ? 465 SER A N 1 ATOM 4390 C CA . SER A 1 464 ? 15.692 17.924 37.281 1.00 33.26 ? 465 SER A CA 1 ATOM 4391 C C . SER A 1 464 ? 17.097 18.284 37.751 1.00 31.18 ? 465 SER A C 1 ATOM 4392 O O . SER A 1 464 ? 17.885 17.409 38.120 1.00 30.95 ? 465 SER A O 1 ATOM 4393 C CB . SER A 1 464 ? 14.667 18.380 38.334 1.00 34.83 ? 465 SER A CB 1 ATOM 4394 O OG . SER A 1 464 ? 14.929 17.816 39.613 1.00 36.92 ? 465 SER A OG 1 ATOM 4395 H H . SER A 1 464 ? 16.325 15.933 37.337 1.00 34.69 ? 465 SER A H 1 ATOM 4396 H HG . SER A 1 464 ? 14.336 18.261 40.228 1.00 36.92 ? 465 SER A HG 1 ATOM 4397 N N . TRP A 1 465 ? 17.407 19.575 37.703 1.00 28.23 ? 466 TRP A N 1 ATOM 4398 C CA . TRP A 1 465 ? 18.700 20.084 38.142 1.00 27.69 ? 466 TRP A CA 1 ATOM 4399 C C . TRP A 1 465 ? 18.556 20.766 39.501 1.00 29.06 ? 466 TRP A C 1 ATOM 4400 O O . TRP A 1 465 ? 17.597 21.516 39.731 1.00 28.78 ? 466 TRP A O 1 ATOM 4401 C CB . TRP A 1 465 ? 19.242 21.114 37.140 1.00 24.70 ? 466 TRP A CB 1 ATOM 4402 C CG . TRP A 1 465 ? 19.943 20.518 35.958 1.00 22.09 ? 466 TRP A CG 1 ATOM 4403 C CD1 . TRP A 1 465 ? 19.401 20.229 34.735 1.00 21.18 ? 466 TRP A CD1 1 ATOM 4404 C CD2 . TRP A 1 465 ? 21.315 20.121 35.895 1.00 20.10 ? 466 TRP A CD2 1 ATOM 4405 N NE1 . TRP A 1 465 ? 20.357 19.670 33.916 1.00 20.98 ? 466 TRP A NE1 1 ATOM 4406 C CE2 . TRP A 1 465 ? 21.540 19.591 34.604 1.00 19.67 ? 466 TRP A CE2 1 ATOM 4407 C CE3 . TRP A 1 465 ? 22.378 20.155 36.804 1.00 19.99 ? 466 TRP A CE3 1 ATOM 4408 C CZ2 . TRP A 1 465 ? 22.783 19.100 34.203 1.00 18.27 ? 466 TRP A CZ2 1 ATOM 4409 C CZ3 . TRP A 1 465 ? 23.616 19.665 36.403 1.00 17.51 ? 466 TRP A CZ3 1 ATOM 4410 C CH2 . TRP A 1 465 ? 23.805 19.145 35.114 1.00 18.72 ? 466 TRP A CH2 1 ATOM 4411 H H . TRP A 1 465 ? 16.737 20.216 37.375 1.00 28.23 ? 466 TRP A H 1 ATOM 4412 H HE1 . TRP A 1 465 ? 20.229 19.387 32.983 1.00 20.98 ? 466 TRP A HE1 1 ATOM 4413 N N . PRO A 1 466 ? 19.465 20.468 40.444 1.00 29.97 ? 467 PRO A N 1 ATOM 4414 C CA . PRO A 1 466 ? 19.371 21.116 41.757 1.00 30.78 ? 467 PRO A CA 1 ATOM 4415 C C . PRO A 1 466 ? 19.565 22.620 41.555 1.00 31.75 ? 467 PRO A C 1 ATOM 4416 O O . PRO A 1 466 ? 20.088 23.048 40.521 1.00 31.18 ? 467 PRO A O 1 ATOM 4417 C CB . PRO A 1 466 ? 20.538 20.493 42.534 1.00 31.14 ? 467 PRO A CB 1 ATOM 4418 C CG . PRO A 1 466 ? 21.500 20.047 41.450 1.00 31.51 ? 467 PRO A CG 1 ATOM 4419 C CD . PRO A 1 466 ? 20.557 19.478 40.421 1.00 30.61 ? 467 PRO A CD 1 ATOM 4420 N N . SER A 1 467 ? 19.111 23.422 42.509 1.00 33.14 ? 468 SER A N 1 ATOM 4421 C CA . SER A 1 467 ? 19.255 24.860 42.389 1.00 36.12 ? 468 SER A CA 1 ATOM 4422 C C . SER A 1 467 ? 20.710 25.206 42.680 1.00 37.55 ? 468 SER A C 1 ATOM 4423 O O . SER A 1 467 ? 21.099 25.439 43.823 1.00 38.60 ? 468 SER A O 1 ATOM 4424 C CB . SER A 1 467 ? 18.309 25.576 43.351 1.00 38.00 ? 468 SER A CB 1 ATOM 4425 O OG . SER A 1 467 ? 18.288 26.973 43.099 1.00 43.00 ? 468 SER A OG 1 ATOM 4426 H H . SER A 1 467 ? 18.691 23.056 43.308 1.00 33.14 ? 468 SER A H 1 ATOM 4427 H HG . SER A 1 467 ? 19.060 27.379 43.524 1.00 43.00 ? 468 SER A HG 1 ATOM 4428 N N . ILE A 1 468 ? 21.520 25.164 41.635 1.00 38.74 ? 469 ILE A N 1 ATOM 4429 C CA . ILE A 1 468 ? 22.934 25.454 41.738 1.00 40.33 ? 469 ILE A CA 1 ATOM 4430 C C . ILE A 1 468 ? 23.146 26.955 41.687 1.00 42.34 ? 469 ILE A C 1 ATOM 4431 O O . ILE A 1 468 ? 22.573 27.638 40.844 1.00 43.28 ? 469 ILE A O 1 ATOM 4432 C CB . ILE A 1 468 ? 23.701 24.777 40.580 1.00 38.83 ? 469 ILE A CB 1 ATOM 4433 C CG1 . ILE A 1 468 ? 23.623 23.259 40.732 1.00 37.93 ? 469 ILE A CG1 1 ATOM 4434 C CG2 . ILE A 1 468 ? 25.142 25.260 40.524 1.00 38.62 ? 469 ILE A CG2 1 ATOM 4435 C CD1 . ILE A 1 468 ? 24.126 22.504 39.533 1.00 38.09 ? 469 ILE A CD1 1 ATOM 4436 H H . ILE A 1 468 ? 21.146 24.947 40.750 1.00 38.74 ? 469 ILE A H 1 ATOM 4437 N N A VAL A 1 469 ? 23.960 27.470 42.601 0.40 43.40 ? 470 VAL A N 1 ATOM 4438 N N B VAL A 1 469 ? 23.900 27.473 42.647 0.60 43.79 ? 470 VAL A N 1 ATOM 4439 C CA A VAL A 1 469 ? 24.251 28.895 42.639 0.40 45.03 ? 470 VAL A CA 1 ATOM 4440 C CA B VAL A 1 469 ? 24.209 28.892 42.692 0.60 45.98 ? 470 VAL A CA 1 ATOM 4441 C C A VAL A 1 469 ? 25.755 29.131 42.543 0.40 46.21 ? 470 VAL A C 1 ATOM 4442 C C B VAL A 1 469 ? 25.712 29.029 42.497 0.60 47.64 ? 470 VAL A C 1 ATOM 4443 O O A VAL A 1 469 ? 26.525 28.634 43.369 0.40 47.00 ? 470 VAL A O 1 ATOM 4444 O O B VAL A 1 469 ? 26.500 28.560 43.323 0.60 48.66 ? 470 VAL A O 1 ATOM 4445 C CB A VAL A 1 469 ? 23.696 29.552 43.925 0.40 44.89 ? 470 VAL A CB 1 ATOM 4446 C CB B VAL A 1 469 ? 23.774 29.528 44.030 0.60 45.81 ? 470 VAL A CB 1 ATOM 4447 C CG1 A VAL A 1 469 ? 24.194 30.987 44.052 0.40 44.94 ? 470 VAL A CG1 1 ATOM 4448 C CG1 B VAL A 1 469 ? 24.400 30.909 44.198 0.60 45.96 ? 470 VAL A CG1 1 ATOM 4449 C CG2 A VAL A 1 469 ? 22.175 29.530 43.902 0.40 45.22 ? 470 VAL A CG2 1 ATOM 4450 C CG2 B VAL A 1 469 ? 22.259 29.641 44.074 0.60 46.19 ? 470 VAL A CG2 1 ATOM 4451 H H A VAL A 1 469 ? 24.372 26.882 43.274 0.40 43.40 ? 470 VAL A H 1 ATOM 4452 H H B VAL A 1 469 ? 24.255 26.884 43.353 0.60 43.79 ? 470 VAL A H 1 ATOM 4453 N N A ALA A 1 470 ? 26.166 29.855 41.509 0.40 47.14 ? 471 ALA A N 1 ATOM 4454 N N B ALA A 1 470 ? 26.103 29.610 41.370 0.60 49.14 ? 471 ALA A N 1 ATOM 4455 C CA A ALA A 1 470 ? 27.571 30.178 41.287 0.40 48.31 ? 471 ALA A CA 1 ATOM 4456 C CA B ALA A 1 470 ? 27.513 29.799 41.053 0.60 50.79 ? 471 ALA A CA 1 ATOM 4457 C C A ALA A 1 470 ? 27.684 31.692 41.384 0.40 49.28 ? 471 ALA A C 1 ATOM 4458 C C B ALA A 1 470 ? 27.898 31.244 41.302 0.60 52.15 ? 471 ALA A C 1 ATOM 4459 O O A ALA A 1 470 ? 26.823 32.412 40.877 0.40 49.41 ? 471 ALA A O 1 ATOM 4460 O O B ALA A 1 470 ? 27.263 32.161 40.781 0.60 52.20 ? 471 ALA A O 1 ATOM 4461 C CB A ALA A 1 470 ? 28.016 29.695 39.913 0.40 47.84 ? 471 ALA A CB 1 ATOM 4462 C CB B ALA A 1 470 ? 27.784 29.422 39.604 0.60 50.18 ? 471 ALA A CB 1 ATOM 4463 H H A ALA A 1 470 ? 25.502 30.230 40.882 0.40 47.14 ? 471 ALA A H 1 ATOM 4464 H H B ALA A 1 470 ? 25.423 29.965 40.750 0.60 49.14 ? 471 ALA A H 1 ATOM 4465 N N A THR A 1 471 ? 28.750 32.178 42.014 0.40 50.60 ? 472 THR A N 1 ATOM 4466 N N B THR A 1 471 ? 28.928 31.442 42.116 0.60 54.06 ? 472 THR A N 1 ATOM 4467 C CA A THR A 1 471 ? 28.932 33.618 42.186 0.40 52.16 ? 472 THR A CA 1 ATOM 4468 C CA B THR A 1 471 ? 29.416 32.776 42.449 0.60 56.51 ? 472 THR A CA 1 ATOM 4469 C C A THR A 1 471 ? 30.324 34.081 41.762 0.40 52.50 ? 472 THR A C 1 ATOM 4470 C C B THR A 1 471 ? 30.944 32.719 42.539 0.60 57.69 ? 472 THR A C 1 ATOM 4471 O O A THR A 1 471 ? 31.283 33.305 41.807 0.40 53.01 ? 472 THR A O 1 ATOM 4472 O O B THR A 1 471 ? 31.501 31.771 43.105 0.60 58.10 ? 472 THR A O 1 ATOM 4473 C CB A THR A 1 471 ? 28.715 34.026 43.666 0.40 52.68 ? 472 THR A CB 1 ATOM 4474 C CB B THR A 1 471 ? 28.840 33.260 43.810 0.60 57.17 ? 472 THR A CB 1 ATOM 4475 O OG1 A THR A 1 471 ? 27.589 33.316 44.203 0.40 53.68 ? 472 THR A OG1 1 ATOM 4476 O OG1 B THR A 1 471 ? 27.409 33.126 43.808 0.60 58.08 ? 472 THR A OG1 1 ATOM 4477 C CG2 A THR A 1 471 ? 28.457 35.526 43.779 0.40 52.90 ? 472 THR A CG2 1 ATOM 4478 C CG2 B THR A 1 471 ? 29.203 34.726 44.058 0.60 57.00 ? 472 THR A CG2 1 ATOM 4479 H H A THR A 1 471 ? 29.461 31.573 42.313 0.40 50.60 ? 472 THR A H 1 ATOM 4480 H H B THR A 1 471 ? 29.409 30.675 42.496 0.60 54.06 ? 472 THR A H 1 ATOM 4481 H HG1 A THR A 1 471 ? 27.802 32.378 44.173 0.40 53.68 ? 472 THR A HG1 1 ATOM 4482 H HG1 B THR A 1 471 ? 27.123 32.562 43.082 0.60 58.08 ? 472 THR A HG1 1 ATOM 4483 N N A GLY A 1 472 ? 30.419 35.349 41.367 0.40 52.99 ? 473 GLY A N 1 ATOM 4484 N N B GLY A 1 472 ? 31.617 33.702 41.945 0.60 58.72 ? 473 GLY A N 1 ATOM 4485 C CA A GLY A 1 472 ? 31.688 35.924 40.960 0.40 53.71 ? 473 GLY A CA 1 ATOM 4486 C CA B GLY A 1 472 ? 33.070 33.730 41.984 0.60 59.65 ? 473 GLY A CA 1 ATOM 4487 C C A GLY A 1 472 ? 31.968 35.753 39.484 0.40 54.05 ? 473 GLY A C 1 ATOM 4488 C C B GLY A 1 472 ? 33.702 34.470 40.819 0.60 60.33 ? 473 GLY A C 1 ATOM 4489 O O A GLY A 1 472 ? 32.512 34.696 39.111 0.40 54.83 ? 473 GLY A O 1 ATOM 4490 O O B GLY A 1 472 ? 32.967 35.152 40.070 0.60 60.77 ? 473 GLY A O 1 ATOM 4491 O OXT A GLY A 1 472 ? 31.642 36.673 38.703 0.40 54.20 ? 473 GLY A OXT 1 ATOM 4492 O OXT B GLY A 1 472 ? 34.936 34.363 40.651 0.60 61.02 ? 473 GLY A OXT 1 ATOM 4493 H H A GLY A 1 472 ? 29.628 35.908 41.277 0.40 52.99 ? 473 GLY A H 1 ATOM 4494 H H B GLY A 1 472 ? 31.196 34.443 41.447 0.60 58.72 ? 473 GLY A H 1 HETATM 4495 C C1 A MAN B 2 . ? 42.076 -7.438 23.213 0.58 20.77 ? 474 MAN A C1 1 HETATM 4496 C C1 B MAN B 2 . ? 42.979 -6.848 24.436 0.42 19.11 ? 474 MAN A C1 1 HETATM 4497 C C2 A MAN B 2 . ? 40.953 -8.067 24.042 0.58 22.24 ? 474 MAN A C2 1 HETATM 4498 C C2 B MAN B 2 . ? 41.905 -7.607 25.225 0.42 19.98 ? 474 MAN A C2 1 HETATM 4499 C C3 A MAN B 2 . ? 41.313 -8.041 25.523 0.58 23.37 ? 474 MAN A C3 1 HETATM 4500 C C3 B MAN B 2 . ? 41.527 -6.858 26.501 0.42 21.08 ? 474 MAN A C3 1 HETATM 4501 C C4 A MAN B 2 . ? 42.691 -8.662 25.755 0.58 24.54 ? 474 MAN A C4 1 HETATM 4502 C C4 B MAN B 2 . ? 42.770 -6.524 27.316 0.42 22.50 ? 474 MAN A C4 1 HETATM 4503 C C5 A MAN B 2 . ? 43.752 -8.046 24.831 0.58 24.98 ? 474 MAN A C5 1 HETATM 4504 C C5 B MAN B 2 . ? 43.770 -5.758 26.448 0.42 23.38 ? 474 MAN A C5 1 HETATM 4505 C C6 A MAN B 2 . ? 45.084 -8.788 24.905 0.58 26.60 ? 474 MAN A C6 1 HETATM 4506 C C6 B MAN B 2 . ? 45.076 -5.462 27.173 0.42 24.51 ? 474 MAN A C6 1 HETATM 4507 O O2 A MAN B 2 . ? 40.720 -9.406 23.633 0.58 23.20 ? 474 MAN A O2 1 HETATM 4508 O O2 B MAN B 2 . ? 42.375 -8.904 25.559 0.42 20.44 ? 474 MAN A O2 1 HETATM 4509 O O3 A MAN B 2 . ? 40.339 -8.771 26.257 0.58 23.10 ? 474 MAN A O3 1 HETATM 4510 O O3 B MAN B 2 . ? 40.660 -7.665 27.283 0.42 21.16 ? 474 MAN A O3 1 HETATM 4511 O O4 A MAN B 2 . ? 43.072 -8.466 27.108 0.58 26.14 ? 474 MAN A O4 1 HETATM 4512 O O4 B MAN B 2 . ? 42.395 -5.740 28.440 0.42 24.47 ? 474 MAN A O4 1 HETATM 4513 O O5 A MAN B 2 . ? 43.308 -8.105 23.458 0.58 22.70 ? 474 MAN A O5 1 HETATM 4514 O O5 B MAN B 2 . ? 44.095 -6.531 25.270 0.42 20.85 ? 474 MAN A O5 1 HETATM 4515 O O6 A MAN B 2 . ? 45.926 -8.456 23.809 0.58 29.85 ? 474 MAN A O6 1 HETATM 4516 O O6 B MAN B 2 . ? 46.069 -4.983 26.274 0.42 26.76 ? 474 MAN A O6 1 HETATM 4517 H H1 A MAN B 2 . ? 41.878 -7.564 22.130 0.58 20.77 ? 474 MAN A H1 1 HETATM 4518 H H1 B MAN B 2 . ? 43.380 -7.490 23.621 0.42 19.11 ? 474 MAN A H1 1 HETATM 4519 H H2 A MAN B 2 . ? 40.036 -7.470 23.886 0.58 23.20 ? 474 MAN A H2 1 HETATM 4520 H H2 B MAN B 2 . ? 40.998 -7.701 24.600 0.42 20.44 ? 474 MAN A H2 1 HETATM 4521 H H3 A MAN B 2 . ? 41.360 -6.997 25.883 0.58 23.37 ? 474 MAN A H3 1 HETATM 4522 H H3 B MAN B 2 . ? 41.038 -5.908 26.244 0.42 21.08 ? 474 MAN A H3 1 HETATM 4523 H H4 A MAN B 2 . ? 42.642 -9.739 25.522 0.58 24.54 ? 474 MAN A H4 1 HETATM 4524 H H4 B MAN B 2 . ? 43.210 -7.470 27.675 0.42 22.50 ? 474 MAN A H4 1 HETATM 4525 H H5 A MAN B 2 . ? 43.936 -6.990 25.080 0.58 24.98 ? 474 MAN A H5 1 HETATM 4526 H H5 B MAN B 2 . ? 43.341 -4.800 26.117 0.42 23.38 ? 474 MAN A H5 1 HETATM 4527 H H61 A MAN B 2 . ? 44.922 -9.876 24.900 0.58 26.60 ? 474 MAN A H61 1 HETATM 4528 H H61 B MAN B 2 . ? 45.447 -6.364 27.682 0.42 24.51 ? 474 MAN A H61 1 HETATM 4529 H H62 A MAN B 2 . ? 45.592 -8.539 25.850 0.58 26.60 ? 474 MAN A H62 1 HETATM 4530 H H62 B MAN B 2 . ? 44.899 -4.709 27.958 0.42 24.51 ? 474 MAN A H62 1 HETATM 4531 H HO2 A MAN B 2 . ? 39.941 -9.682 24.133 0.58 23.20 ? 474 MAN A HO2 1 HETATM 4532 H HO2 B MAN B 2 . ? 43.214 -8.824 26.022 0.42 20.44 ? 474 MAN A HO2 1 HETATM 4533 H HO3 A MAN B 2 . ? 40.771 -9.190 27.020 0.58 23.10 ? 474 MAN A HO3 1 HETATM 4534 H HO3 B MAN B 2 . ? 41.066 -8.552 27.364 0.42 21.16 ? 474 MAN A HO3 1 HETATM 4535 H HO4 A MAN B 2 . ? 42.618 -9.145 27.637 0.58 26.14 ? 474 MAN A HO4 1 HETATM 4536 H HO4 B MAN B 2 . ? 41.523 -6.078 28.727 0.42 24.47 ? 474 MAN A HO4 1 HETATM 4537 H HO6 A MAN B 2 . ? 45.367 -8.396 23.022 0.58 29.85 ? 474 MAN A HO6 1 HETATM 4538 H HO6 B MAN B 2 . ? 45.875 -5.346 25.403 0.42 26.76 ? 474 MAN A HO6 1 HETATM 4539 C C1 A MAN C 2 . ? 30.334 -4.802 25.238 0.41 13.31 ? 475 MAN A C1 1 HETATM 4540 C C1 B MAN C 2 . ? 30.415 -4.917 25.160 0.59 14.01 ? 475 MAN A C1 1 HETATM 4541 C C2 A MAN C 2 . ? 28.987 -4.083 25.320 0.41 13.19 ? 475 MAN A C2 1 HETATM 4542 C C2 B MAN C 2 . ? 29.077 -4.205 24.962 0.59 13.99 ? 475 MAN A C2 1 HETATM 4543 C C3 A MAN C 2 . ? 28.363 -4.328 26.693 0.41 13.51 ? 475 MAN A C3 1 HETATM 4544 C C3 B MAN C 2 . ? 28.374 -4.017 26.305 0.59 14.11 ? 475 MAN A C3 1 HETATM 4545 C C4 A MAN C 2 . ? 28.265 -5.831 26.964 0.41 13.68 ? 475 MAN A C4 1 HETATM 4546 C C4 B MAN C 2 . ? 28.265 -5.356 27.040 0.59 14.84 ? 475 MAN A C4 1 HETATM 4547 C C5 A MAN C 2 . ? 29.618 -6.523 26.763 0.41 14.14 ? 475 MAN A C5 1 HETATM 4548 C C5 B MAN C 2 . ? 29.646 -6.016 27.151 0.59 15.29 ? 475 MAN A C5 1 HETATM 4549 C C6 A MAN C 2 . ? 29.506 -8.040 26.827 0.41 15.81 ? 475 MAN A C6 1 HETATM 4550 C C6 B MAN C 2 . ? 29.616 -7.407 27.757 0.59 18.36 ? 475 MAN A C6 1 HETATM 4551 O O2 A MAN C 2 . ? 28.114 -4.563 24.307 0.41 15.67 ? 475 MAN A O2 1 HETATM 4552 O O2 B MAN C 2 . ? 28.254 -4.965 24.091 0.59 15.74 ? 475 MAN A O2 1 HETATM 4553 O O3 A MAN C 2 . ? 27.062 -3.760 26.731 0.41 13.14 ? 475 MAN A O3 1 HETATM 4554 O O3 B MAN C 2 . ? 27.072 -3.496 26.086 0.59 14.10 ? 475 MAN A O3 1 HETATM 4555 O O4 A MAN C 2 . ? 27.815 -6.042 28.296 0.41 13.43 ? 475 MAN A O4 1 HETATM 4556 O O4 B MAN C 2 . ? 27.712 -5.143 28.332 0.59 15.27 ? 475 MAN A O4 1 HETATM 4557 O O5 A MAN C 2 . ? 30.160 -6.196 25.467 0.41 13.36 ? 475 MAN A O5 1 HETATM 4558 O O5 B MAN C 2 . ? 30.230 -6.150 25.841 0.59 13.86 ? 475 MAN A O5 1 HETATM 4559 O O6 A MAN C 2 . ? 28.835 -8.563 25.687 0.41 17.90 ? 475 MAN A O6 1 HETATM 4560 O O6 B MAN C 2 . ? 30.839 -8.094 27.509 0.59 21.68 ? 475 MAN A O6 1 HETATM 4561 H H1 A MAN C 2 . ? 30.782 -4.707 24.229 0.41 13.31 ? 475 MAN A H1 1 HETATM 4562 H H1 B MAN C 2 . ? 30.883 -5.164 24.188 0.59 14.01 ? 475 MAN A H1 1 HETATM 4563 H H2 A MAN C 2 . ? 29.162 -3.004 25.181 0.41 15.67 ? 475 MAN A H2 1 HETATM 4564 H H2 B MAN C 2 . ? 29.245 -3.206 24.525 0.59 15.74 ? 475 MAN A H2 1 HETATM 4565 H H3 A MAN C 2 . ? 28.992 -3.846 27.461 0.41 13.51 ? 475 MAN A H3 1 HETATM 4566 H H3 B MAN C 2 . ? 28.961 -3.304 26.910 0.59 14.11 ? 475 MAN A H3 1 HETATM 4567 H H4 A MAN C 2 . ? 27.545 -6.283 26.260 0.41 13.68 ? 475 MAN A H4 1 HETATM 4568 H H4 B MAN C 2 . ? 27.593 -6.008 26.454 0.59 14.84 ? 475 MAN A H4 1 HETATM 4569 H H5 A MAN C 2 . ? 30.290 -6.177 27.567 0.41 14.14 ? 475 MAN A H5 1 HETATM 4570 H H5 B MAN C 2 . ? 30.322 -5.397 27.766 0.59 15.29 ? 475 MAN A H5 1 HETATM 4571 H H61 A MAN C 2 . ? 28.953 -8.325 27.736 0.41 15.81 ? 475 MAN A H61 1 HETATM 4572 H H61 B MAN C 2 . ? 29.418 -7.289 28.829 0.59 18.36 ? 475 MAN A H61 1 HETATM 4573 H H62 A MAN C 2 . ? 30.508 -8.486 26.911 0.41 15.81 ? 475 MAN A H62 1 HETATM 4574 H H62 B MAN C 2 . ? 28.766 -7.982 27.350 0.59 18.36 ? 475 MAN A H62 1 HETATM 4575 H HO2 A MAN C 2 . ? 28.474 -4.304 23.434 0.41 15.67 ? 475 MAN A HO2 1 HETATM 4576 H HO2 B MAN C 2 . ? 28.483 -4.665 23.188 0.59 15.74 ? 475 MAN A HO2 1 HETATM 4577 H HO3 A MAN C 2 . ? 26.588 -4.205 26.010 0.41 13.14 ? 475 MAN A HO3 1 HETATM 4578 H HO3 B MAN C 2 . ? 26.591 -4.169 25.587 0.59 14.10 ? 475 MAN A HO3 1 HETATM 4579 H HO4 A MAN C 2 . ? 28.438 -5.613 28.912 0.41 13.43 ? 475 MAN A HO4 1 HETATM 4580 H HO4 B MAN C 2 . ? 28.425 -4.870 28.939 0.59 15.27 ? 475 MAN A HO4 1 HETATM 4581 H HO6 A MAN C 2 . ? 29.180 -9.462 25.561 0.41 17.90 ? 475 MAN A HO6 1 HETATM 4582 H HO6 B MAN C 2 . ? 30.974 -7.994 26.550 0.59 21.68 ? 475 MAN A HO6 1 HETATM 4583 C C1 . MAN D 2 . ? 54.060 11.100 31.528 1.00 16.51 ? 476 MAN A C1 1 HETATM 4584 C C2 . MAN D 2 . ? 55.325 11.746 32.100 1.00 18.64 ? 476 MAN A C2 1 HETATM 4585 C C3 . MAN D 2 . ? 56.366 10.663 32.388 1.00 19.95 ? 476 MAN A C3 1 HETATM 4586 C C4 . MAN D 2 . ? 55.773 9.599 33.311 1.00 19.69 ? 476 MAN A C4 1 HETATM 4587 C C5 . MAN D 2 . ? 54.485 9.028 32.698 1.00 17.50 ? 476 MAN A C5 1 HETATM 4588 C C6 . MAN D 2 . ? 53.766 8.032 33.605 1.00 17.23 ? 476 MAN A C6 1 HETATM 4589 O O2 . MAN D 2 . ? 55.011 12.439 33.304 1.00 20.26 ? 476 MAN A O2 1 HETATM 4590 O O3 . MAN D 2 . ? 57.513 11.242 33.005 1.00 23.53 ? 476 MAN A O3 1 HETATM 4591 O O4 . MAN D 2 . ? 56.725 8.558 33.500 1.00 21.55 ? 476 MAN A O4 1 HETATM 4592 O O5 . MAN D 2 . ? 53.559 10.100 32.414 1.00 15.79 ? 476 MAN A O5 1 HETATM 4593 O O6 . MAN D 2 . ? 52.699 7.382 32.925 1.00 15.92 ? 476 MAN A O6 1 HETATM 4594 H H1 . MAN D 2 . ? 53.263 11.869 31.425 1.00 16.51 ? 476 MAN A H1 1 HETATM 4595 H H2 . MAN D 2 . ? 55.744 12.458 31.368 1.00 20.26 ? 476 MAN A H2 1 HETATM 4596 H H3 . MAN D 2 . ? 56.666 10.207 31.432 1.00 19.95 ? 476 MAN A H3 1 HETATM 4597 H H4 . MAN D 2 . ? 55.551 10.052 34.292 1.00 19.69 ? 476 MAN A H4 1 HETATM 4598 H H5 . MAN D 2 . ? 54.774 8.508 31.772 1.00 17.50 ? 476 MAN A H5 1 HETATM 4599 H H61 . MAN D 2 . ? 53.419 8.528 34.526 1.00 17.23 ? 476 MAN A H61 1 HETATM 4600 H H62 . MAN D 2 . ? 54.488 7.271 33.937 1.00 17.23 ? 476 MAN A H62 1 HETATM 4601 H HO2 . MAN D 2 . ? 54.536 11.827 33.886 1.00 20.26 ? 476 MAN A HO2 1 HETATM 4602 H HO3 . MAN D 2 . ? 57.754 12.065 32.560 1.00 23.53 ? 476 MAN A HO3 1 HETATM 4603 H HO4 . MAN D 2 . ? 57.522 9.034 33.787 1.00 21.55 ? 476 MAN A HO4 1 HETATM 4604 H HO6 . MAN D 2 . ? 52.580 6.495 33.314 1.00 15.92 ? 476 MAN A HO6 1 HETATM 4605 C C1 . MAN E 2 . ? 54.667 3.083 32.159 1.00 28.93 ? 477 MAN A C1 1 HETATM 4606 C C2 . MAN E 2 . ? 55.367 1.744 31.914 1.00 31.12 ? 477 MAN A C2 1 HETATM 4607 C C3 . MAN E 2 . ? 54.612 0.938 30.855 1.00 32.94 ? 477 MAN A C3 1 HETATM 4608 C C4 . MAN E 2 . ? 53.154 0.779 31.276 1.00 32.66 ? 477 MAN A C4 1 HETATM 4609 C C5 . MAN E 2 . ? 52.529 2.159 31.474 1.00 32.17 ? 477 MAN A C5 1 HETATM 4610 C C6 . MAN E 2 . ? 51.080 2.100 31.950 1.00 33.17 ? 477 MAN A C6 1 HETATM 4611 O O2 . MAN E 2 . ? 55.423 1.010 33.128 1.00 32.90 ? 477 MAN A O2 1 HETATM 4612 O O3 . MAN E 2 . ? 55.204 -0.347 30.691 1.00 34.41 ? 477 MAN A O3 1 HETATM 4613 O O4 . MAN E 2 . ? 52.451 0.051 30.281 1.00 35.87 ? 477 MAN A O4 1 HETATM 4614 O O5 . MAN E 2 . ? 53.283 2.891 32.469 1.00 30.77 ? 477 MAN A O5 1 HETATM 4615 O O6 . MAN E 2 . ? 50.549 3.405 32.163 1.00 34.32 ? 477 MAN A O6 1 HETATM 4616 H H1 . MAN E 2 . ? 55.100 3.604 33.037 1.00 28.93 ? 477 MAN A H1 1 HETATM 4617 H H2 . MAN E 2 . ? 56.398 1.924 31.561 1.00 32.90 ? 477 MAN A H2 1 HETATM 4618 H H3 . MAN E 2 . ? 54.692 1.498 29.908 1.00 32.94 ? 477 MAN A H3 1 HETATM 4619 H H4 . MAN E 2 . ? 53.123 0.205 32.219 1.00 32.66 ? 477 MAN A H4 1 HETATM 4620 H H5 . MAN E 2 . ? 52.556 2.708 30.523 1.00 32.17 ? 477 MAN A H5 1 HETATM 4621 H H61 . MAN E 2 . ? 51.023 1.525 32.889 1.00 33.17 ? 477 MAN A H61 1 HETATM 4622 H H62 . MAN E 2 . ? 50.472 1.565 31.203 1.00 33.17 ? 477 MAN A H62 1 HETATM 4623 H HO2 . MAN E 2 . ? 54.555 1.048 33.533 1.00 32.90 ? 477 MAN A HO2 1 HETATM 4624 H HO3 . MAN E 2 . ? 56.163 -0.247 30.617 1.00 34.41 ? 477 MAN A HO3 1 HETATM 4625 H HO4 . MAN E 2 . ? 53.048 -0.694 30.085 1.00 35.87 ? 477 MAN A HO4 1 HETATM 4626 H HO6 . MAN E 2 . ? 51.131 3.863 32.800 1.00 34.32 ? 477 MAN A HO6 1 HETATM 4627 C C1 . MAN F 2 . ? 36.306 -5.096 21.648 1.00 25.16 ? 478 MAN A C1 1 HETATM 4628 C C2 . MAN F 2 . ? 35.329 -5.964 22.454 1.00 29.74 ? 478 MAN A C2 1 HETATM 4629 C C3 . MAN F 2 . ? 35.993 -7.287 22.868 1.00 31.85 ? 478 MAN A C3 1 HETATM 4630 C C4 . MAN F 2 . ? 36.632 -7.975 21.666 1.00 33.03 ? 478 MAN A C4 1 HETATM 4631 C C5 . MAN F 2 . ? 37.546 -7.006 20.925 1.00 33.91 ? 478 MAN A C5 1 HETATM 4632 C C6 . MAN F 2 . ? 38.178 -7.587 19.665 1.00 37.61 ? 478 MAN A C6 1 HETATM 4633 O O2 . MAN F 2 . ? 34.168 -6.236 21.678 1.00 33.32 ? 478 MAN A O2 1 HETATM 4634 O O3 . MAN F 2 . ? 35.020 -8.160 23.427 1.00 34.24 ? 478 MAN A O3 1 HETATM 4635 O O4 . MAN F 2 . ? 37.381 -9.092 22.117 1.00 35.04 ? 478 MAN A O4 1 HETATM 4636 O O5 . MAN F 2 . ? 36.797 -5.836 20.543 1.00 29.76 ? 478 MAN A O5 1 HETATM 4637 O O6 . MAN F 2 . ? 39.369 -6.885 19.313 1.00 42.55 ? 478 MAN A O6 1 HETATM 4638 H H1 . MAN F 2 . ? 35.807 -4.190 21.239 1.00 25.16 ? 478 MAN A H1 1 HETATM 4639 H H2 . MAN F 2 . ? 35.043 -5.416 23.368 1.00 33.32 ? 478 MAN A H2 1 HETATM 4640 H H3 . MAN F 2 . ? 36.765 -7.083 23.635 1.00 31.85 ? 478 MAN A H3 1 HETATM 4641 H H4 . MAN F 2 . ? 35.826 -8.321 20.997 1.00 33.03 ? 478 MAN A H4 1 HETATM 4642 H H5 . MAN F 2 . ? 38.368 -6.777 21.625 1.00 33.91 ? 478 MAN A H5 1 HETATM 4643 H H61 . MAN F 2 . ? 37.453 -7.598 18.832 1.00 37.61 ? 478 MAN A H61 1 HETATM 4644 H H62 . MAN F 2 . ? 38.451 -8.639 19.838 1.00 37.61 ? 478 MAN A H62 1 HETATM 4645 H HO2 . MAN F 2 . ? 34.470 -6.651 20.859 1.00 33.32 ? 478 MAN A HO2 1 HETATM 4646 H HO3 . MAN F 2 . ? 34.534 -7.723 24.147 1.00 34.24 ? 478 MAN A HO3 1 HETATM 4647 H HO4 . MAN F 2 . ? 37.228 -9.791 21.465 1.00 35.04 ? 478 MAN A HO4 1 HETATM 4648 H HO6 . MAN F 2 . ? 39.152 -6.060 18.846 1.00 42.55 ? 478 MAN A HO6 1 HETATM 4649 C C1 . MAN G 2 . ? 26.801 -2.352 32.605 1.00 16.75 ? 479 MAN A C1 1 HETATM 4650 C C2 . MAN G 2 . ? 25.351 -2.881 32.432 1.00 16.16 ? 479 MAN A C2 1 HETATM 4651 C C3 . MAN G 2 . ? 24.349 -1.868 33.001 1.00 16.97 ? 479 MAN A C3 1 HETATM 4652 C C4 . MAN G 2 . ? 24.732 -1.477 34.433 1.00 15.98 ? 479 MAN A C4 1 HETATM 4653 C C5 . MAN G 2 . ? 26.161 -0.914 34.409 1.00 17.43 ? 479 MAN A C5 1 HETATM 4654 C C6 . MAN G 2 . ? 26.705 -0.369 35.732 1.00 18.04 ? 479 MAN A C6 1 HETATM 4655 O O2 . MAN G 2 . ? 25.182 -4.137 33.068 1.00 16.06 ? 479 MAN A O2 1 HETATM 4656 O O3 . MAN G 2 . ? 23.040 -2.410 32.992 1.00 17.72 ? 479 MAN A O3 1 HETATM 4657 O O4 . MAN G 2 . ? 23.810 -0.515 34.926 1.00 12.49 ? 479 MAN A O4 1 HETATM 4658 O O5 . MAN G 2 . ? 27.047 -1.958 33.954 1.00 17.48 ? 479 MAN A O5 1 HETATM 4659 O O6 . MAN G 2 . ? 26.951 -1.411 36.660 1.00 22.65 ? 479 MAN A O6 1 HETATM 4660 H H1 . MAN G 2 . ? 27.536 -3.139 32.350 1.00 16.75 ? 479 MAN A H1 1 HETATM 4661 H H2 . MAN G 2 . ? 25.163 -3.014 31.351 1.00 16.06 ? 479 MAN A H2 1 HETATM 4662 H H3 . MAN G 2 . ? 24.367 -0.977 32.349 1.00 16.97 ? 479 MAN A H3 1 HETATM 4663 H H4 . MAN G 2 . ? 24.726 -2.369 35.079 1.00 15.98 ? 479 MAN A H4 1 HETATM 4664 H H5 . MAN G 2 . ? 26.144 -0.055 33.719 1.00 17.43 ? 479 MAN A H5 1 HETATM 4665 H H61 . MAN G 2 . ? 25.996 0.341 36.173 1.00 18.04 ? 479 MAN A H61 1 HETATM 4666 H H62 . MAN G 2 . ? 27.640 0.192 35.552 1.00 18.04 ? 479 MAN A H62 1 HETATM 4667 H HO2 . MAN G 2 . ? 25.918 -4.699 32.796 1.00 16.06 ? 479 MAN A HO2 1 HETATM 4668 H HO3 . MAN G 2 . ? 22.481 -1.682 33.263 1.00 17.72 ? 479 MAN A HO3 1 HETATM 4669 H HO4 . MAN G 2 . ? 22.994 -1.025 35.048 1.00 12.49 ? 479 MAN A HO4 1 HETATM 4670 H HO6 . MAN G 2 . ? 27.265 -2.147 36.113 1.00 22.65 ? 479 MAN A HO6 1 HETATM 4671 C C1 . MAN H 2 . ? 21.423 2.133 33.877 1.00 6.24 ? 480 MAN A C1 1 HETATM 4672 C C2 . MAN H 2 . ? 20.010 1.837 34.377 1.00 7.04 ? 480 MAN A C2 1 HETATM 4673 C C3 . MAN H 2 . ? 19.129 3.073 34.188 1.00 7.35 ? 480 MAN A C3 1 HETATM 4674 C C4 . MAN H 2 . ? 19.764 4.297 34.854 1.00 7.70 ? 480 MAN A C4 1 HETATM 4675 C C5 . MAN H 2 . ? 21.201 4.489 34.351 1.00 6.04 ? 480 MAN A C5 1 HETATM 4676 C C6 . MAN H 2 . ? 21.954 5.620 35.052 1.00 9.50 ? 480 MAN A C6 1 HETATM 4677 O O2 . MAN H 2 . ? 20.051 1.463 35.744 1.00 5.11 ? 480 MAN A O2 1 HETATM 4678 O O3 . MAN H 2 . ? 17.843 2.842 34.746 1.00 8.70 ? 480 MAN A O3 1 HETATM 4679 O O4 . MAN H 2 . ? 18.995 5.444 34.532 1.00 9.54 ? 480 MAN A O4 1 HETATM 4680 O O5 . MAN H 2 . ? 21.953 3.273 34.550 1.00 6.34 ? 480 MAN A O5 1 HETATM 4681 O O6 . MAN H 2 . ? 22.082 5.387 36.453 1.00 12.18 ? 480 MAN A O6 1 HETATM 4682 H H1 . MAN H 2 . ? 22.104 1.285 34.081 1.00 6.24 ? 480 MAN A H1 1 HETATM 4683 H H2 . MAN H 2 . ? 19.583 1.037 33.762 1.00 5.11 ? 480 MAN A H2 1 HETATM 4684 H H3 . MAN H 2 . ? 19.014 3.259 33.104 1.00 7.35 ? 480 MAN A H3 1 HETATM 4685 H H4 . MAN H 2 . ? 19.762 4.162 35.946 1.00 7.70 ? 480 MAN A H4 1 HETATM 4686 H H5 . MAN H 2 . ? 21.166 4.725 33.275 1.00 6.04 ? 480 MAN A H5 1 HETATM 4687 H H61 . MAN H 2 . ? 21.401 6.562 34.888 1.00 9.50 ? 480 MAN A H61 1 HETATM 4688 H H62 . MAN H 2 . ? 22.938 5.736 34.570 1.00 9.50 ? 480 MAN A H62 1 HETATM 4689 H HO2 . MAN H 2 . ? 20.497 2.189 36.190 1.00 5.11 ? 480 MAN A HO2 1 HETATM 4690 H HO3 . MAN H 2 . ? 17.924 2.817 35.712 1.00 8.70 ? 480 MAN A HO3 1 HETATM 4691 H HO4 . MAN H 2 . ? 18.084 5.224 34.802 1.00 9.54 ? 480 MAN A HO4 1 HETATM 4692 H HO6 . MAN H 2 . ? 21.336 5.851 36.892 1.00 12.18 ? 480 MAN A HO6 1 HETATM 4693 C C1 . MAN I 2 . ? 18.338 6.839 27.141 1.00 10.58 ? 481 MAN A C1 1 HETATM 4694 C C2 . MAN I 2 . ? 17.719 8.226 27.018 1.00 10.67 ? 481 MAN A C2 1 HETATM 4695 C C3 . MAN I 2 . ? 16.193 8.103 26.986 1.00 15.06 ? 481 MAN A C3 1 HETATM 4696 C C4 . MAN I 2 . ? 15.757 7.134 25.896 1.00 16.26 ? 481 MAN A C4 1 HETATM 4697 C C5 . MAN I 2 . ? 16.469 5.799 26.038 1.00 15.75 ? 481 MAN A C5 1 HETATM 4698 C C6 . MAN I 2 . ? 16.173 4.873 24.870 1.00 18.20 ? 481 MAN A C6 1 HETATM 4699 O O2 . MAN I 2 . ? 18.173 8.860 25.836 1.00 9.73 ? 481 MAN A O2 1 HETATM 4700 O O3 . MAN I 2 . ? 15.618 9.373 26.720 1.00 15.14 ? 481 MAN A O3 1 HETATM 4701 O O4 . MAN I 2 . ? 14.356 6.935 25.991 1.00 21.09 ? 481 MAN A O4 1 HETATM 4702 O O5 . MAN I 2 . ? 17.901 5.999 26.079 1.00 11.36 ? 481 MAN A O5 1 HETATM 4703 O O6 . MAN I 2 . ? 16.861 3.635 25.017 1.00 24.33 ? 481 MAN A O6 1 HETATM 4704 H H1 . MAN I 2 . ? 19.442 6.890 27.037 1.00 10.58 ? 481 MAN A H1 1 HETATM 4705 H H2 . MAN I 2 . ? 18.060 8.813 27.888 1.00 9.73 ? 481 MAN A H2 1 HETATM 4706 H H3 . MAN I 2 . ? 15.851 7.742 27.974 1.00 15.06 ? 481 MAN A H3 1 HETATM 4707 H H4 . MAN I 2 . ? 16.003 7.563 24.909 1.00 16.26 ? 481 MAN A H4 1 HETATM 4708 H H5 . MAN I 2 . ? 16.133 5.298 26.959 1.00 15.75 ? 481 MAN A H5 1 HETATM 4709 H H61 . MAN I 2 . ? 16.451 5.350 23.918 1.00 18.20 ? 481 MAN A H61 1 HETATM 4710 H H62 . MAN I 2 . ? 15.090 4.697 24.810 1.00 18.20 ? 481 MAN A H62 1 HETATM 4711 H HO2 . MAN I 2 . ? 18.138 9.813 25.957 1.00 9.73 ? 481 MAN A HO2 1 HETATM 4712 H HO3 . MAN I 2 . ? 15.878 9.570 25.795 1.00 15.14 ? 481 MAN A HO3 1 HETATM 4713 H HO4 . MAN I 2 . ? 13.954 7.814 25.921 1.00 21.09 ? 481 MAN A HO4 1 HETATM 4714 H HO6 . MAN I 2 . ? 17.801 3.800 24.872 1.00 24.33 ? 481 MAN A HO6 1 HETATM 4715 C C1 . MAN J 2 . ? 15.750 7.342 32.464 1.00 19.95 ? 482 MAN A C1 1 HETATM 4716 C C2 . MAN J 2 . ? 15.953 6.363 31.315 1.00 22.16 ? 482 MAN A C2 1 HETATM 4717 C C3 . MAN J 2 . ? 14.638 6.182 30.567 1.00 24.64 ? 482 MAN A C3 1 HETATM 4718 C C4 . MAN J 2 . ? 13.556 5.732 31.542 1.00 26.48 ? 482 MAN A C4 1 HETATM 4719 C C5 . MAN J 2 . ? 13.438 6.721 32.696 1.00 26.29 ? 482 MAN A C5 1 HETATM 4720 C C6 . MAN J 2 . ? 12.455 6.244 33.765 1.00 28.87 ? 482 MAN A C6 1 HETATM 4721 O O2 . MAN J 2 . ? 16.397 5.109 31.813 1.00 21.38 ? 482 MAN A O2 1 HETATM 4722 O O3 . MAN J 2 . ? 14.801 5.191 29.566 1.00 27.21 ? 482 MAN A O3 1 HETATM 4723 O O4 . MAN J 2 . ? 12.313 5.629 30.863 1.00 28.90 ? 482 MAN A O4 1 HETATM 4724 O O5 . MAN J 2 . ? 14.722 6.875 33.331 1.00 22.51 ? 482 MAN A O5 1 HETATM 4725 O O6 . MAN J 2 . ? 12.411 7.145 34.868 1.00 33.74 ? 482 MAN A O6 1 HETATM 4726 H H1 . MAN J 2 . ? 16.664 7.409 33.091 1.00 19.95 ? 482 MAN A H1 1 HETATM 4727 H H2 . MAN J 2 . ? 16.696 6.784 30.616 1.00 21.38 ? 482 MAN A H2 1 HETATM 4728 H H3 . MAN J 2 . ? 14.316 7.140 30.111 1.00 24.64 ? 482 MAN A H3 1 HETATM 4729 H H4 . MAN J 2 . ? 13.833 4.740 31.935 1.00 26.48 ? 482 MAN A H4 1 HETATM 4730 H H5 . MAN J 2 . ? 13.093 7.701 32.323 1.00 26.29 ? 482 MAN A H5 1 HETATM 4731 H H61 . MAN J 2 . ? 12.711 5.230 34.112 1.00 28.87 ? 482 MAN A H61 1 HETATM 4732 H H62 . MAN J 2 . ? 11.453 6.181 33.311 1.00 28.87 ? 482 MAN A H62 1 HETATM 4733 H HO2 . MAN J 2 . ? 17.311 5.211 32.130 1.00 21.38 ? 482 MAN A HO2 1 HETATM 4734 H HO3 . MAN J 2 . ? 15.312 4.485 30.003 1.00 27.21 ? 482 MAN A HO3 1 HETATM 4735 H HO4 . MAN J 2 . ? 12.476 5.172 30.028 1.00 28.90 ? 482 MAN A HO4 1 HETATM 4736 H HO6 . MAN J 2 . ? 11.671 6.910 35.444 1.00 33.74 ? 482 MAN A HO6 1 HETATM 4737 C C1 . MAN K 2 . ? 14.943 11.382 37.957 1.00 53.71 ? 483 MAN A C1 1 HETATM 4738 C C2 . MAN K 2 . ? 15.457 10.198 37.104 1.00 55.58 ? 483 MAN A C2 1 HETATM 4739 C C3 . MAN K 2 . ? 14.363 9.151 36.837 1.00 56.98 ? 483 MAN A C3 1 HETATM 4740 C C4 . MAN K 2 . ? 13.656 8.770 38.134 1.00 57.69 ? 483 MAN A C4 1 HETATM 4741 C C5 . MAN K 2 . ? 13.130 10.028 38.834 1.00 58.35 ? 483 MAN A C5 1 HETATM 4742 C C6 . MAN K 2 . ? 12.458 9.719 40.172 1.00 60.20 ? 483 MAN A C6 1 HETATM 4743 O O2 . MAN K 2 . ? 16.569 9.571 37.735 1.00 56.72 ? 483 MAN A O2 1 HETATM 4744 O O3 . MAN K 2 . ? 14.946 7.982 36.268 1.00 57.37 ? 483 MAN A O3 1 HETATM 4745 O O4 . MAN K 2 . ? 12.586 7.874 37.856 1.00 58.49 ? 483 MAN A O4 1 HETATM 4746 O O5 . MAN K 2 . ? 14.227 10.930 39.110 1.00 56.34 ? 483 MAN A O5 1 HETATM 4747 O O6 . MAN K 2 . ? 11.319 8.877 40.015 1.00 62.46 ? 483 MAN A O6 1 HETATM 4748 H H1 . MAN K 2 . ? 15.809 11.943 38.376 1.00 53.71 ? 483 MAN A H1 1 HETATM 4749 H H2 . MAN K 2 . ? 15.787 10.588 36.133 1.00 56.72 ? 483 MAN A H2 1 HETATM 4750 H H3 . MAN K 2 . ? 13.642 9.589 36.123 1.00 56.98 ? 483 MAN A H3 1 HETATM 4751 H H4 . MAN K 2 . ? 14.373 8.281 38.817 1.00 57.69 ? 483 MAN A H4 1 HETATM 4752 H H5 . MAN K 2 . ? 12.407 10.549 38.182 1.00 58.35 ? 483 MAN A H5 1 HETATM 4753 H H61 . MAN K 2 . ? 12.148 10.660 40.652 1.00 60.20 ? 483 MAN A H61 1 HETATM 4754 H H62 . MAN K 2 . ? 13.184 9.236 40.846 1.00 60.20 ? 483 MAN A H62 1 HETATM 4755 H HO2 . MAN K 2 . ? 16.785 8.843 37.130 1.00 56.72 ? 483 MAN A HO2 1 HETATM 4756 H HO3 . MAN K 2 . ? 14.210 7.496 35.859 1.00 57.37 ? 483 MAN A HO3 1 HETATM 4757 H HO4 . MAN K 2 . ? 12.969 6.987 37.803 1.00 58.49 ? 483 MAN A HO4 1 HETATM 4758 H HO6 . MAN K 2 . ? 11.414 8.369 39.194 1.00 62.46 ? 483 MAN A HO6 1 HETATM 4759 C C1 . NAG L 3 . ? 44.636 -1.391 16.133 1.00 6.05 ? 484 NAG A C1 1 HETATM 4760 C C2 . NAG L 3 . ? 45.014 -0.556 14.911 1.00 7.01 ? 484 NAG A C2 1 HETATM 4761 C C3 . NAG L 3 . ? 46.267 -1.133 14.262 1.00 7.13 ? 484 NAG A C3 1 HETATM 4762 C C4 . NAG L 3 . ? 47.391 -1.212 15.283 1.00 6.90 ? 484 NAG A C4 1 HETATM 4763 C C5 . NAG L 3 . ? 46.920 -2.017 16.489 1.00 8.00 ? 484 NAG A C5 1 HETATM 4764 C C6 . NAG L 3 . ? 47.967 -2.096 17.595 1.00 7.57 ? 484 NAG A C6 1 HETATM 4765 C C7 . NAG L 3 . ? 43.045 0.468 13.929 1.00 7.37 ? 484 NAG A C7 1 HETATM 4766 C C8 . NAG L 3 . ? 42.001 0.452 12.820 1.00 6.46 ? 484 NAG A C8 1 HETATM 4767 N N2 . NAG L 3 . ? 43.947 -0.515 13.917 1.00 6.80 ? 484 NAG A N2 1 HETATM 4768 O O3 . NAG L 3 . ? 46.650 -0.313 13.169 1.00 7.92 ? 484 NAG A O3 1 HETATM 4769 O O4 . NAG L 3 . ? 48.532 -1.871 14.697 1.00 9.00 ? 484 NAG A O4 1 HETATM 4770 O O5 . NAG L 3 . ? 45.733 -1.421 17.053 1.00 6.89 ? 484 NAG A O5 1 HETATM 4771 O O6 . NAG L 3 . ? 48.442 -0.810 17.957 1.00 6.68 ? 484 NAG A O6 1 HETATM 4772 O O7 . NAG L 3 . ? 43.004 1.313 14.823 1.00 7.05 ? 484 NAG A O7 1 HETATM 4773 H H1 . NAG L 3 . ? 44.419 -2.438 15.837 1.00 6.05 ? 484 NAG A H1 1 HETATM 4774 H H2 . NAG L 3 . ? 45.265 0.460 15.261 1.00 7.01 ? 484 NAG A H2 1 HETATM 4775 H H3 . NAG L 3 . ? 46.058 -2.146 13.889 1.00 7.13 ? 484 NAG A H3 1 HETATM 4776 H H4 . NAG L 3 . ? 47.617 -0.209 15.664 1.00 6.90 ? 484 NAG A H4 1 HETATM 4777 H H5 . NAG L 3 . ? 46.683 -3.052 16.187 1.00 8.00 ? 484 NAG A H5 1 HETATM 4778 H H61 . NAG L 3 . ? 48.806 -2.726 17.272 1.00 7.57 ? 484 NAG A H61 1 HETATM 4779 H H62 . NAG L 3 . ? 47.531 -2.568 18.482 1.00 7.57 ? 484 NAG A H62 1 HETATM 4780 H H81 . NAG L 3 . ? 42.488 0.354 11.841 1.00 6.46 ? 484 NAG A H81 1 HETATM 4781 H H82 . NAG L 3 . ? 41.430 1.395 12.824 1.00 6.46 ? 484 NAG A H82 1 HETATM 4782 H H83 . NAG L 3 . ? 41.306 -0.388 12.952 1.00 6.46 ? 484 NAG A H83 1 HETATM 4783 H HN2 . NAG L 3 . ? 43.917 -1.212 13.228 1.00 6.80 ? 484 NAG A HN2 1 HETATM 4784 H HO3 . NAG L 3 . ? 47.485 -0.662 12.828 1.00 7.92 ? 484 NAG A HO3 1 HETATM 4785 H HO6 . NAG L 3 . ? 48.090 -0.598 18.839 1.00 6.68 ? 484 NAG A HO6 1 HETATM 4786 C C1 . NAG M 3 . ? 49.618 -1.070 14.377 1.00 10.35 ? 485 NAG A C1 1 HETATM 4787 C C2 . NAG M 3 . ? 50.857 -1.947 14.164 1.00 12.48 ? 485 NAG A C2 1 HETATM 4788 C C3 . NAG M 3 . ? 52.015 -1.091 13.647 1.00 15.75 ? 485 NAG A C3 1 HETATM 4789 C C4 . NAG M 3 . ? 51.570 -0.280 12.434 1.00 17.63 ? 485 NAG A C4 1 HETATM 4790 C C5 . NAG M 3 . ? 50.340 0.533 12.777 1.00 15.28 ? 485 NAG A C5 1 HETATM 4791 C C6 . NAG M 3 . ? 49.844 1.314 11.582 1.00 15.20 ? 485 NAG A C6 1 HETATM 4792 C C7 . NAG M 3 . ? 51.022 -3.851 15.657 1.00 16.37 ? 485 NAG A C7 1 HETATM 4793 C C8 . NAG M 3 . ? 51.452 -4.355 17.025 1.00 17.23 ? 485 NAG A C8 1 HETATM 4794 N N2 . NAG M 3 . ? 51.232 -2.558 15.426 1.00 13.64 ? 485 NAG A N2 1 HETATM 4795 O O3 . NAG M 3 . ? 53.079 -1.944 13.275 1.00 17.65 ? 485 NAG A O3 1 HETATM 4796 O O4 . NAG M 3 . ? 52.616 0.607 12.000 1.00 22.20 ? 485 NAG A O4 1 HETATM 4797 O O5 . NAG M 3 . ? 49.292 -0.360 13.179 1.00 11.15 ? 485 NAG A O5 1 HETATM 4798 O O6 . NAG M 3 . ? 49.578 0.446 10.488 1.00 19.39 ? 485 NAG A O6 1 HETATM 4799 O O7 . NAG M 3 . ? 50.502 -4.606 14.831 1.00 19.22 ? 485 NAG A O7 1 HETATM 4800 H H1 . NAG M 3 . ? 49.795 -0.347 15.198 1.00 10.35 ? 485 NAG A H1 1 HETATM 4801 H H2 . NAG M 3 . ? 50.625 -2.692 13.382 1.00 12.48 ? 485 NAG A H2 1 HETATM 4802 H H3 . NAG M 3 . ? 52.351 -0.400 14.447 1.00 15.75 ? 485 NAG A H3 1 HETATM 4803 H H4 . NAG M 3 . ? 51.254 -1.022 11.682 1.00 17.63 ? 485 NAG A H4 1 HETATM 4804 H H5 . NAG M 3 . ? 50.558 1.238 13.600 1.00 15.28 ? 485 NAG A H5 1 HETATM 4805 H H61 . NAG M 3 . ? 50.598 2.057 11.300 1.00 15.20 ? 485 NAG A H61 1 HETATM 4806 H H62 . NAG M 3 . ? 48.930 1.866 11.852 1.00 15.20 ? 485 NAG A H62 1 HETATM 4807 H H81 . NAG M 3 . ? 51.085 -5.380 17.193 1.00 17.23 ? 485 NAG A H81 1 HETATM 4808 H H82 . NAG M 3 . ? 51.055 -3.708 17.822 1.00 17.23 ? 485 NAG A H82 1 HETATM 4809 H H83 . NAG M 3 . ? 52.549 -4.376 17.091 1.00 17.23 ? 485 NAG A H83 1 HETATM 4810 H HN2 . NAG M 3 . ? 51.628 -1.974 16.113 1.00 13.64 ? 485 NAG A HN2 1 HETATM 4811 H HO3 . NAG M 3 . ? 53.820 -1.358 13.060 1.00 17.65 ? 485 NAG A HO3 1 HETATM 4812 H HO6 . NAG M 3 . ? 49.031 0.914 9.830 1.00 19.39 ? 485 NAG A HO6 1 HETATM 4813 C C1 . BMA N 4 . ? 53.126 0.374 10.733 1.00 28.89 ? 486 BMA A C1 1 HETATM 4814 C C2 . BMA N 4 . ? 53.531 1.702 10.091 1.00 31.73 ? 486 BMA A C2 1 HETATM 4815 C C3 . BMA N 4 . ? 54.095 1.408 8.696 1.00 36.37 ? 486 BMA A C3 1 HETATM 4816 C C4 . BMA N 4 . ? 55.293 0.465 8.851 1.00 36.65 ? 486 BMA A C4 1 HETATM 4817 C C5 . BMA N 4 . ? 54.905 -0.811 9.624 1.00 35.70 ? 486 BMA A C5 1 HETATM 4818 C C6 . BMA N 4 . ? 56.129 -1.663 9.961 1.00 36.79 ? 486 BMA A C6 1 HETATM 4819 O O2 . BMA N 4 . ? 54.518 2.331 10.897 1.00 28.61 ? 486 BMA A O2 1 HETATM 4820 O O3 . BMA N 4 . ? 54.500 2.630 8.017 1.00 40.24 ? 486 BMA A O3 1 HETATM 4821 O O4 . BMA N 4 . ? 55.786 0.112 7.566 1.00 39.32 ? 486 BMA A O4 1 HETATM 4822 O O5 . BMA N 4 . ? 54.267 -0.481 10.884 1.00 31.57 ? 486 BMA A O5 1 HETATM 4823 O O6 . BMA N 4 . ? 55.815 -2.691 10.895 1.00 39.64 ? 486 BMA A O6 1 HETATM 4824 H H1 . BMA N 4 . ? 52.377 -0.137 10.089 1.00 28.89 ? 486 BMA A H1 1 HETATM 4825 H H2 . BMA N 4 . ? 52.622 2.323 10.050 1.00 28.61 ? 486 BMA A H2 1 HETATM 4826 H H3 . BMA N 4 . ? 53.321 0.895 8.093 1.00 36.37 ? 486 BMA A H3 1 HETATM 4827 H H4 . BMA N 4 . ? 56.082 1.000 9.408 1.00 36.65 ? 486 BMA A H4 1 HETATM 4828 H H5 . BMA N 4 . ? 54.195 -1.426 9.044 1.00 35.70 ? 486 BMA A H5 1 HETATM 4829 H H61 . BMA N 4 . ? 56.921 -1.032 10.394 1.00 36.79 ? 486 BMA A H61 1 HETATM 4830 H H62 . BMA N 4 . ? 56.532 -2.104 9.035 1.00 36.79 ? 486 BMA A H62 1 HETATM 4831 H HO2 . BMA N 4 . ? 54.553 3.275 10.674 1.00 28.61 ? 486 BMA A HO2 1 HETATM 4832 H HO4 . BMA N 4 . ? 55.920 0.930 7.074 1.00 39.32 ? 486 BMA A HO4 1 HETATM 4833 H HO6 . BMA N 4 . ? 54.973 -2.455 11.321 1.00 39.64 ? 486 BMA A HO6 1 HETATM 4834 C C1 . MAN O 2 . ? 53.527 3.639 7.887 1.00 45.17 ? 487 MAN A C1 1 HETATM 4835 C C2 . MAN O 2 . ? 53.752 4.435 6.587 1.00 47.95 ? 487 MAN A C2 1 HETATM 4836 C C3 . MAN O 2 . ? 54.986 5.348 6.675 1.00 48.46 ? 487 MAN A C3 1 HETATM 4837 C C4 . MAN O 2 . ? 55.006 6.153 7.978 1.00 47.53 ? 487 MAN A C4 1 HETATM 4838 C C5 . MAN O 2 . ? 54.785 5.214 9.161 1.00 46.69 ? 487 MAN A C5 1 HETATM 4839 C C6 . MAN O 2 . ? 54.745 5.885 10.513 1.00 44.97 ? 487 MAN A C6 1 HETATM 4840 O O2 . MAN O 2 . ? 52.586 5.236 6.285 1.00 51.34 ? 487 MAN A O2 1 HETATM 4841 O O3 . MAN O 2 . ? 54.987 6.252 5.579 1.00 50.25 ? 487 MAN A O3 1 HETATM 4842 O O4 . MAN O 2 . ? 56.264 6.806 8.106 1.00 48.38 ? 487 MAN A O4 1 HETATM 4843 O O5 . MAN O 2 . ? 53.541 4.514 9.001 1.00 45.59 ? 487 MAN A O5 1 HETATM 4844 O O6 . MAN O 2 . ? 54.716 4.907 11.539 1.00 44.26 ? 487 MAN A O6 1 HETATM 4845 H H1 . MAN O 2 . ? 52.531 3.156 7.883 1.00 45.17 ? 487 MAN A H1 1 HETATM 4846 H H2 . MAN O 2 . ? 53.951 3.682 5.805 1.00 51.34 ? 487 MAN A H2 1 HETATM 4847 H H3 . MAN O 2 . ? 55.900 4.734 6.635 1.00 48.46 ? 487 MAN A H3 1 HETATM 4848 H H4 . MAN O 2 . ? 54.196 6.902 7.963 1.00 47.53 ? 487 MAN A H4 1 HETATM 4849 H H5 . MAN O 2 . ? 55.628 4.501 9.187 1.00 46.69 ? 487 MAN A H5 1 HETATM 4850 H H61 . MAN O 2 . ? 53.877 6.561 10.579 1.00 44.97 ? 487 MAN A H61 1 HETATM 4851 H H62 . MAN O 2 . ? 55.635 6.516 10.639 1.00 44.97 ? 487 MAN A H62 1 HETATM 4852 H HO3 . MAN O 2 . ? 55.492 7.034 5.835 1.00 50.25 ? 487 MAN A HO3 1 HETATM 4853 H HO4 . MAN O 2 . ? 56.977 6.160 8.126 1.00 48.38 ? 487 MAN A HO4 1 HETATM 4854 H HO6 . MAN O 2 . ? 53.850 4.985 11.950 1.00 44.26 ? 487 MAN A HO6 1 HETATM 4855 C C1 . MAN P 2 . ? 52.090 5.102 4.981 1.00 53.70 ? 488 MAN A C1 1 HETATM 4856 C C2 . MAN P 2 . ? 50.939 6.105 4.741 1.00 54.55 ? 488 MAN A C2 1 HETATM 4857 C C3 . MAN P 2 . ? 49.632 5.674 5.450 1.00 54.66 ? 488 MAN A C3 1 HETATM 4858 C C4 . MAN P 2 . ? 49.315 4.198 5.141 1.00 54.96 ? 488 MAN A C4 1 HETATM 4859 C C5 . MAN P 2 . ? 50.536 3.355 5.521 1.00 55.85 ? 488 MAN A C5 1 HETATM 4860 C C6 . MAN P 2 . ? 50.377 1.845 5.371 1.00 56.65 ? 488 MAN A C6 1 HETATM 4861 O O2 . MAN P 2 . ? 50.701 6.239 3.345 1.00 56.41 ? 488 MAN A O2 1 HETATM 4862 O O3 . MAN P 2 . ? 48.548 6.505 5.032 1.00 52.85 ? 488 MAN A O3 1 HETATM 4863 O O4 . MAN P 2 . ? 48.171 3.770 5.875 1.00 54.20 ? 488 MAN A O4 1 HETATM 4864 O O5 . MAN P 2 . ? 51.661 3.767 4.719 1.00 54.66 ? 488 MAN A O5 1 HETATM 4865 O O6 . MAN P 2 . ? 50.351 1.203 6.645 1.00 58.12 ? 488 MAN A O6 1 HETATM 4866 H H1 . MAN P 2 . ? 52.926 5.289 4.282 1.00 53.70 ? 488 MAN A H1 1 HETATM 4867 H H2 . MAN P 2 . ? 51.235 7.097 5.130 1.00 56.41 ? 488 MAN A H2 1 HETATM 4868 H H3 . MAN P 2 . ? 49.790 5.807 6.532 1.00 54.66 ? 488 MAN A H3 1 HETATM 4869 H H4 . MAN P 2 . ? 49.137 4.060 4.060 1.00 54.96 ? 488 MAN A H4 1 HETATM 4870 H H5 . MAN P 2 . ? 50.793 3.568 6.568 1.00 55.85 ? 488 MAN A H5 1 HETATM 4871 H H61 . MAN P 2 . ? 51.177 1.409 4.753 1.00 56.65 ? 488 MAN A H61 1 HETATM 4872 H H62 . MAN P 2 . ? 49.448 1.613 4.827 1.00 56.65 ? 488 MAN A H62 1 HETATM 4873 H HO2 . MAN P 2 . ? 49.830 6.642 3.232 1.00 56.41 ? 488 MAN A HO2 1 HETATM 4874 H HO3 . MAN P 2 . ? 48.839 7.433 5.036 1.00 52.85 ? 488 MAN A HO3 1 HETATM 4875 H HO4 . MAN P 2 . ? 48.167 2.803 5.978 1.00 54.20 ? 488 MAN A HO4 1 HETATM 4876 H HO6 . MAN P 2 . ? 49.414 1.108 6.916 1.00 58.12 ? 488 MAN A HO6 1 HETATM 4877 C C1 . NAG Q 3 . ? 27.975 41.259 11.404 1.00 15.88 ? 489 NAG A C1 1 HETATM 4878 C C2 . NAG Q 3 . ? 27.121 40.328 12.268 1.00 15.72 ? 489 NAG A C2 1 HETATM 4879 C C3 . NAG Q 3 . ? 26.572 39.233 11.361 1.00 15.51 ? 489 NAG A C3 1 HETATM 4880 C C4 . NAG Q 3 . ? 25.800 39.846 10.187 1.00 14.58 ? 489 NAG A C4 1 HETATM 4881 C C5 . NAG Q 3 . ? 26.664 40.885 9.453 1.00 16.46 ? 489 NAG A C5 1 HETATM 4882 C C6 . NAG Q 3 . ? 25.921 41.681 8.386 1.00 17.44 ? 489 NAG A C6 1 HETATM 4883 C C7 . NAG Q 3 . ? 27.790 40.078 14.599 1.00 20.30 ? 489 NAG A C7 1 HETATM 4884 C C8 . NAG Q 3 . ? 28.721 39.388 15.584 1.00 18.99 ? 489 NAG A C8 1 HETATM 4885 N N2 . NAG Q 3 . ? 27.938 39.739 13.320 1.00 17.46 ? 489 NAG A N2 1 HETATM 4886 O O3 . NAG Q 3 . ? 25.726 38.353 12.092 1.00 14.61 ? 489 NAG A O3 1 HETATM 4887 O O4 . NAG Q 3 . ? 25.473 38.789 9.271 1.00 14.96 ? 489 NAG A O4 1 HETATM 4888 O O5 . NAG Q 3 . ? 27.181 41.849 10.381 1.00 16.94 ? 489 NAG A O5 1 HETATM 4889 O O6 A NAG Q 3 . ? 24.622 42.030 8.851 0.58 18.79 ? 489 NAG A O6 1 HETATM 4890 O O6 B NAG Q 3 . ? 26.831 42.143 7.401 0.40 16.34 ? 489 NAG A O6 1 HETATM 4891 O O7 . NAG Q 3 . ? 26.945 40.889 14.986 1.00 23.41 ? 489 NAG A O7 1 HETATM 4892 H H1 . NAG Q 3 . ? 28.772 40.702 10.873 1.00 15.88 ? 489 NAG A H1 1 HETATM 4893 H H2 . NAG Q 3 . ? 26.265 40.906 12.657 1.00 15.72 ? 489 NAG A H2 1 HETATM 4894 H H3 . NAG Q 3 . ? 27.403 38.650 10.928 1.00 15.51 ? 489 NAG A H3 1 HETATM 4895 H H4 . NAG Q 3 . ? 24.903 40.332 10.613 1.00 14.58 ? 489 NAG A H4 1 HETATM 4896 H H5 . NAG Q 3 . ? 27.500 40.343 8.979 1.00 16.46 ? 489 NAG A H5 1 HETATM 4897 H H61 . NAG Q 3 . ? 25.513 41.038 7.595 1.00 17.44 ? 489 NAG A H61 1 HETATM 4898 H H62 . NAG Q 3 . ? 26.006 42.770 8.523 1.00 17.44 ? 489 NAG A H62 1 HETATM 4899 H H81 . NAG Q 3 . ? 28.336 38.396 15.844 1.00 18.99 ? 489 NAG A H81 1 HETATM 4900 H H82 . NAG Q 3 . ? 28.796 39.983 16.507 1.00 18.99 ? 489 NAG A H82 1 HETATM 4901 H H83 . NAG Q 3 . ? 29.731 39.294 15.160 1.00 18.99 ? 489 NAG A H83 1 HETATM 4902 H HN2 . NAG Q 3 . ? 28.594 39.069 13.111 1.00 17.46 ? 489 NAG A HN2 1 HETATM 4903 H HO3 . NAG Q 3 . ? 26.294 37.610 12.360 1.00 14.61 ? 489 NAG A HO3 1 HETATM 4904 H HO6 A NAG Q 3 . ? 24.109 42.437 8.144 0.58 18.79 ? 489 NAG A HO6 1 HETATM 4905 H HO6 B NAG Q 3 . ? 27.754 41.981 7.668 0.40 16.34 ? 489 NAG A HO6 1 HETATM 4906 C C1 . NAG R 3 . ? 24.192 38.747 8.760 1.00 14.97 ? 490 NAG A C1 1 HETATM 4907 C C2 . NAG R 3 . ? 24.209 37.884 7.504 1.00 15.42 ? 490 NAG A C2 1 HETATM 4908 C C3 . NAG R 3 . ? 22.796 37.579 7.004 1.00 15.49 ? 490 NAG A C3 1 HETATM 4909 C C4 . NAG R 3 . ? 21.917 37.104 8.160 1.00 16.79 ? 490 NAG A C4 1 HETATM 4910 C C5 . NAG R 3 . ? 22.000 38.066 9.328 1.00 17.09 ? 490 NAG A C5 1 HETATM 4911 C C6 . NAG R 3 . ? 21.176 37.623 10.518 1.00 17.31 ? 490 NAG A C6 1 HETATM 4912 C C7 . NAG R 3 . ? 26.225 38.246 6.218 1.00 15.57 ? 490 NAG A C7 1 HETATM 4913 C C8 . NAG R 3 . ? 26.922 39.053 5.137 1.00 17.12 ? 490 NAG A C8 1 HETATM 4914 N N2 . NAG R 3 . ? 24.964 38.580 6.475 1.00 14.18 ? 490 NAG A N2 1 HETATM 4915 O O3 . NAG R 3 . ? 22.864 36.561 6.013 1.00 17.53 ? 490 NAG A O3 1 HETATM 4916 O O4 . NAG R 3 . ? 20.544 37.027 7.735 1.00 18.07 ? 490 NAG A O4 1 HETATM 4917 O O5 . NAG R 3 . ? 23.357 38.176 9.764 1.00 15.78 ? 490 NAG A O5 1 HETATM 4918 O O6 . NAG R 3 . ? 21.028 38.684 11.449 1.00 22.44 ? 490 NAG A O6 1 HETATM 4919 O O7 . NAG R 3 . ? 26.787 37.292 6.766 1.00 16.30 ? 490 NAG A O7 1 HETATM 4920 H H1 . NAG R 3 . ? 23.824 39.758 8.529 1.00 14.97 ? 490 NAG A H1 1 HETATM 4921 H H2 . NAG R 3 . ? 24.654 36.919 7.781 1.00 15.42 ? 490 NAG A H2 1 HETATM 4922 H H3 . NAG R 3 . ? 22.363 38.493 6.568 1.00 15.49 ? 490 NAG A H3 1 HETATM 4923 H H4 . NAG R 3 . ? 22.323 36.158 8.568 1.00 16.79 ? 490 NAG A H4 1 HETATM 4924 H H5 . NAG R 3 . ? 21.607 39.038 8.981 1.00 17.09 ? 490 NAG A H5 1 HETATM 4925 H H61 . NAG R 3 . ? 21.652 36.763 11.013 1.00 17.31 ? 490 NAG A H61 1 HETATM 4926 H H62 . NAG R 3 . ? 20.178 37.289 10.200 1.00 17.31 ? 490 NAG A H62 1 HETATM 4927 H H81 . NAG R 3 . ? 27.964 38.723 5.018 1.00 17.12 ? 490 NAG A H81 1 HETATM 4928 H H82 . NAG R 3 . ? 26.949 40.120 5.409 1.00 17.12 ? 490 NAG A H82 1 HETATM 4929 H H83 . NAG R 3 . ? 26.407 38.931 4.172 1.00 17.12 ? 490 NAG A H83 1 HETATM 4930 H HN2 . NAG R 3 . ? 24.518 39.293 5.964 1.00 14.18 ? 490 NAG A HN2 1 HETATM 4931 H HO3 . NAG R 3 . ? 21.983 36.445 5.638 1.00 17.53 ? 490 NAG A HO3 1 HETATM 4932 H HO6 . NAG R 3 . ? 21.890 38.916 11.833 1.00 22.44 ? 490 NAG A HO6 1 HETATM 4933 C C1 . BMA S 4 . ? 20.111 35.805 7.268 1.00 18.75 ? 491 BMA A C1 1 HETATM 4934 C C2 . BMA S 4 . ? 18.643 35.612 7.637 1.00 21.19 ? 491 BMA A C2 1 HETATM 4935 C C3 . BMA S 4 . ? 18.160 34.304 7.033 1.00 22.37 ? 491 BMA A C3 1 HETATM 4936 C C4 . BMA S 4 . ? 18.393 34.298 5.537 1.00 21.18 ? 491 BMA A C4 1 HETATM 4937 C C5 . BMA S 4 . ? 19.870 34.547 5.269 1.00 20.46 ? 491 BMA A C5 1 HETATM 4938 C C6 . BMA S 4 . ? 20.214 34.600 3.807 1.00 20.81 ? 491 BMA A C6 1 HETATM 4939 O O2 . BMA S 4 . ? 17.863 36.697 7.145 1.00 20.56 ? 491 BMA A O2 1 HETATM 4940 O O3 . BMA S 4 . ? 16.761 34.124 7.295 1.00 26.94 ? 491 BMA A O3 1 HETATM 4941 O O4 . BMA S 4 . ? 18.009 33.034 5.014 1.00 24.43 ? 491 BMA A O4 1 HETATM 4942 O O5 . BMA S 4 . ? 20.274 35.800 5.849 1.00 17.89 ? 491 BMA A O5 1 HETATM 4943 O O6 . BMA S 4 . ? 21.643 34.587 3.676 1.00 22.63 ? 491 BMA A O6 1 HETATM 4944 H H1 . BMA S 4 . ? 20.719 34.985 7.709 1.00 18.75 ? 491 BMA A H1 1 HETATM 4945 H H2 . BMA S 4 . ? 18.580 35.557 8.733 1.00 20.56 ? 491 BMA A H2 1 HETATM 4946 H H3 . BMA S 4 . ? 18.793 33.499 7.453 1.00 22.37 ? 491 BMA A H3 1 HETATM 4947 H H4 . BMA S 4 . ? 17.796 35.098 5.063 1.00 21.18 ? 491 BMA A H4 1 HETATM 4948 H H5 . BMA S 4 . ? 20.437 33.702 5.706 1.00 20.46 ? 491 BMA A H5 1 HETATM 4949 H H61 . BMA S 4 . ? 19.763 35.495 3.350 1.00 20.81 ? 491 BMA A H61 1 HETATM 4950 H H62 . BMA S 4 . ? 19.758 33.725 3.312 1.00 20.81 ? 491 BMA A H62 1 HETATM 4951 H HO2 . BMA S 4 . ? 18.213 37.484 7.596 1.00 20.56 ? 491 BMA A HO2 1 HETATM 4952 H HO4 . BMA S 4 . ? 17.069 32.932 5.192 1.00 24.43 ? 491 BMA A HO4 1 HETATM 4953 C C1 . MAN T 2 . ? 16.465 33.213 8.306 1.00 30.59 ? 492 MAN A C1 1 HETATM 4954 C C2 . MAN T 2 . ? 15.007 32.807 8.185 1.00 32.18 ? 492 MAN A C2 1 HETATM 4955 C C3 . MAN T 2 . ? 14.146 34.050 8.440 1.00 33.68 ? 492 MAN A C3 1 HETATM 4956 C C4 . MAN T 2 . ? 14.475 34.657 9.804 1.00 35.21 ? 492 MAN A C4 1 HETATM 4957 C C5 . MAN T 2 . ? 15.973 34.948 9.912 1.00 34.86 ? 492 MAN A C5 1 HETATM 4958 C C6 . MAN T 2 . ? 16.396 35.396 11.310 1.00 36.17 ? 492 MAN A C6 1 HETATM 4959 O O2 . MAN T 2 . ? 14.712 31.779 9.155 1.00 30.17 ? 492 MAN A O2 1 HETATM 4960 O O3 . MAN T 2 . ? 12.768 33.717 8.389 1.00 36.28 ? 492 MAN A O3 1 HETATM 4961 O O4 . MAN T 2 . ? 13.740 35.857 9.976 1.00 38.07 ? 492 MAN A O4 1 HETATM 4962 O O5 . MAN T 2 . ? 16.723 33.756 9.600 1.00 32.70 ? 492 MAN A O5 1 HETATM 4963 O O6 . MAN T 2 . ? 17.800 35.619 11.388 1.00 37.53 ? 492 MAN A O6 1 HETATM 4964 H H1 . MAN T 2 . ? 17.118 32.333 8.175 1.00 30.59 ? 492 MAN A H1 1 HETATM 4965 H H2 . MAN T 2 . ? 14.778 32.492 7.153 1.00 30.17 ? 492 MAN A H2 1 HETATM 4966 H H3 . MAN T 2 . ? 14.348 34.811 7.666 1.00 33.68 ? 492 MAN A H3 1 HETATM 4967 H H4 . MAN T 2 . ? 14.189 33.943 10.593 1.00 35.21 ? 492 MAN A H4 1 HETATM 4968 H H5 . MAN T 2 . ? 16.248 35.737 9.192 1.00 34.86 ? 492 MAN A H5 1 HETATM 4969 H H61 . MAN T 2 . ? 16.110 34.631 12.050 1.00 36.17 ? 492 MAN A H61 1 HETATM 4970 H H62 . MAN T 2 . ? 15.867 36.324 11.580 1.00 36.17 ? 492 MAN A H62 1 HETATM 4971 H HO3 . MAN T 2 . ? 12.321 34.517 8.706 1.00 36.28 ? 492 MAN A HO3 1 HETATM 4972 H HO4 . MAN T 2 . ? 13.999 36.487 9.289 1.00 38.07 ? 492 MAN A HO4 1 HETATM 4973 H HO6 . MAN T 2 . ? 18.264 34.774 11.550 1.00 37.53 ? 492 MAN A HO6 1 HETATM 4974 C C1 . MAN U 2 . ? 22.061 34.484 2.349 1.00 22.99 ? 493 MAN A C1 1 HETATM 4975 C C2 . MAN U 2 . ? 23.574 34.325 2.343 1.00 21.25 ? 493 MAN A C2 1 HETATM 4976 C C3 . MAN U 2 . ? 24.201 35.592 2.904 1.00 21.52 ? 493 MAN A C3 1 HETATM 4977 C C4 . MAN U 2 . ? 23.737 36.809 2.115 1.00 24.99 ? 493 MAN A C4 1 HETATM 4978 C C5 . MAN U 2 . ? 22.211 36.861 2.144 1.00 28.99 ? 493 MAN A C5 1 HETATM 4979 C C6 . MAN U 2 . ? 21.626 37.996 1.330 1.00 36.63 ? 493 MAN A C6 1 HETATM 4980 O O2 . MAN U 2 . ? 24.040 34.092 1.024 1.00 23.00 ? 493 MAN A O2 1 HETATM 4981 O O3 . MAN U 2 . ? 25.627 35.499 2.832 1.00 18.15 ? 493 MAN A O3 1 HETATM 4982 O O4 . MAN U 2 . ? 24.295 37.989 2.683 1.00 25.51 ? 493 MAN A O4 1 HETATM 4983 O O5 . MAN U 2 . ? 21.690 35.634 1.605 1.00 23.53 ? 493 MAN A O5 1 HETATM 4984 O O6 . MAN U 2 . ? 21.979 37.813 -0.057 1.00 48.17 ? 493 MAN A O6 1 HETATM 4985 H H1 . MAN U 2 . ? 21.567 33.612 1.873 1.00 22.99 ? 493 MAN A H1 1 HETATM 4986 H H2 . MAN U 2 . ? 23.856 33.487 3.000 1.00 23.00 ? 493 MAN A H2 1 HETATM 4987 H H3 . MAN U 2 . ? 23.824 35.750 3.930 1.00 21.52 ? 493 MAN A H3 1 HETATM 4988 H H4 . MAN U 2 . ? 24.064 36.723 1.068 1.00 24.99 ? 493 MAN A H4 1 HETATM 4989 H H5 . MAN U 2 . ? 21.874 36.999 3.188 1.00 28.99 ? 493 MAN A H5 1 HETATM 4990 H H61 . MAN U 2 . ? 21.994 38.942 1.753 1.00 36.63 ? 493 MAN A H61 1 HETATM 4991 H H62 . MAN U 2 . ? 20.532 38.002 1.467 1.00 36.63 ? 493 MAN A H62 1 HETATM 4992 H HO2 . MAN U 2 . ? 23.454 34.597 0.428 1.00 23.00 ? 493 MAN A HO2 1 HETATM 4993 H HO4 . MAN U 2 . ? 25.239 37.932 2.446 1.00 25.51 ? 493 MAN A HO4 1 HETATM 4994 C C1 . MAN V 2 . ? 26.257 35.156 4.029 1.00 16.79 ? 494 MAN A C1 1 HETATM 4995 C C2 . MAN V 2 . ? 27.740 35.542 3.938 1.00 15.84 ? 494 MAN A C2 1 HETATM 4996 C C3 . MAN V 2 . ? 28.504 34.594 3.018 1.00 16.69 ? 494 MAN A C3 1 HETATM 4997 C C4 . MAN V 2 . ? 28.248 33.138 3.444 1.00 16.25 ? 494 MAN A C4 1 HETATM 4998 C C5 . MAN V 2 . ? 26.747 32.880 3.409 1.00 14.43 ? 494 MAN A C5 1 HETATM 4999 C C6 . MAN V 2 . ? 26.354 31.453 3.766 1.00 14.96 ? 494 MAN A C6 1 HETATM 5000 O O2 . MAN V 2 . ? 28.337 35.549 5.227 1.00 16.75 ? 494 MAN A O2 1 HETATM 5001 O O3 . MAN V 2 . ? 29.894 34.890 3.089 1.00 18.15 ? 494 MAN A O3 1 HETATM 5002 O O4 . MAN V 2 . ? 28.923 32.238 2.570 1.00 16.04 ? 494 MAN A O4 1 HETATM 5003 O O5 . MAN V 2 . ? 26.089 33.774 4.332 1.00 14.10 ? 494 MAN A O5 1 HETATM 5004 O O6 . MAN V 2 . ? 26.719 31.125 5.100 1.00 15.78 ? 494 MAN A O6 1 HETATM 5005 H H1 . MAN V 2 . ? 25.781 35.706 4.867 1.00 16.79 ? 494 MAN A H1 1 HETATM 5006 H H2 . MAN V 2 . ? 27.792 36.554 3.511 1.00 16.75 ? 494 MAN A H2 1 HETATM 5007 H H3 . MAN V 2 . ? 28.165 34.726 1.976 1.00 16.69 ? 494 MAN A H3 1 HETATM 5008 H H4 . MAN V 2 . ? 28.590 32.998 4.479 1.00 16.25 ? 494 MAN A H4 1 HETATM 5009 H H5 . MAN V 2 . ? 26.383 33.082 2.386 1.00 14.43 ? 494 MAN A H5 1 HETATM 5010 H H61 . MAN V 2 . ? 26.821 30.758 3.053 1.00 14.96 ? 494 MAN A H61 1 HETATM 5011 H H62 . MAN V 2 . ? 25.269 31.330 3.623 1.00 14.96 ? 494 MAN A H62 1 HETATM 5012 H HO2 . MAN V 2 . ? 27.783 36.074 5.819 1.00 16.75 ? 494 MAN A HO2 1 HETATM 5013 H HO3 . MAN V 2 . ? 30.061 35.012 4.037 1.00 18.15 ? 494 MAN A HO3 1 HETATM 5014 H HO4 . MAN V 2 . ? 28.938 31.377 3.015 1.00 16.04 ? 494 MAN A HO4 1 HETATM 5015 H HO6 . MAN V 2 . ? 26.213 30.323 5.299 1.00 15.78 ? 494 MAN A HO6 1 HETATM 5016 C C1 . MAN W 2 . ? 15.113 30.466 8.849 1.00 30.40 ? 495 MAN A C1 1 HETATM 5017 C C2 . MAN W 2 . ? 14.291 29.510 9.703 1.00 32.26 ? 495 MAN A C2 1 HETATM 5018 C C3 . MAN W 2 . ? 14.574 29.813 11.164 1.00 29.71 ? 495 MAN A C3 1 HETATM 5019 C C4 . MAN W 2 . ? 16.066 29.613 11.433 1.00 27.31 ? 495 MAN A C4 1 HETATM 5020 C C5 . MAN W 2 . ? 16.909 30.470 10.479 1.00 26.44 ? 495 MAN A C5 1 HETATM 5021 C C6 . MAN W 2 . ? 18.399 30.155 10.585 1.00 25.12 ? 495 MAN A C6 1 HETATM 5022 O O2 . MAN W 2 . ? 14.689 28.154 9.425 1.00 38.31 ? 495 MAN A O2 1 HETATM 5023 O O3 . MAN W 2 . ? 13.814 28.942 11.988 1.00 29.97 ? 495 MAN A O3 1 HETATM 5024 O O4 . MAN W 2 . ? 16.348 29.981 12.771 1.00 23.95 ? 495 MAN A O4 1 HETATM 5025 O O5 . MAN W 2 . ? 16.505 30.249 9.101 1.00 27.70 ? 495 MAN A O5 1 HETATM 5026 O O6 . MAN W 2 . ? 19.168 30.963 9.703 1.00 22.82 ? 495 MAN A O6 1 HETATM 5027 H H1 . MAN W 2 . ? 14.948 30.282 7.771 1.00 30.40 ? 495 MAN A H1 1 HETATM 5028 H H2 . MAN W 2 . ? 13.225 29.728 9.516 1.00 38.31 ? 495 MAN A H2 1 HETATM 5029 H H3 . MAN W 2 . ? 14.308 30.856 11.404 1.00 29.71 ? 495 MAN A H3 1 HETATM 5030 H H4 . MAN W 2 . ? 16.318 28.551 11.285 1.00 27.31 ? 495 MAN A H4 1 HETATM 5031 H H5 . MAN W 2 . ? 16.753 31.529 10.720 1.00 26.44 ? 495 MAN A H5 1 HETATM 5032 H H61 . MAN W 2 . ? 18.594 29.083 10.443 1.00 25.12 ? 495 MAN A H61 1 HETATM 5033 H H62 . MAN W 2 . ? 18.714 30.377 11.617 1.00 25.12 ? 495 MAN A H62 1 HETATM 5034 H HO3 . MAN W 2 . ? 13.050 29.454 12.311 1.00 29.97 ? 495 MAN A HO3 1 HETATM 5035 H HO4 . MAN W 2 . ? 15.730 29.438 13.278 1.00 23.95 ? 495 MAN A HO4 1 HETATM 5036 H HO6 . MAN W 2 . ? 19.943 30.443 9.453 1.00 22.82 ? 495 MAN A HO6 1 HETATM 5037 C C1 . MAN X 2 . ? 13.751 27.353 8.769 1.00 45.41 ? 496 MAN A C1 1 HETATM 5038 C C2 . MAN X 2 . ? 14.058 25.876 9.053 1.00 48.18 ? 496 MAN A C2 1 HETATM 5039 C C3 . MAN X 2 . ? 15.361 25.457 8.369 1.00 50.11 ? 496 MAN A C3 1 HETATM 5040 C C4 . MAN X 2 . ? 15.275 25.770 6.883 1.00 50.32 ? 496 MAN A C4 1 HETATM 5041 C C5 . MAN X 2 . ? 14.953 27.258 6.676 1.00 50.40 ? 496 MAN A C5 1 HETATM 5042 C C6 . MAN X 2 . ? 14.749 27.625 5.212 1.00 52.19 ? 496 MAN A C6 1 HETATM 5043 O O2 . MAN X 2 . ? 12.991 25.063 8.585 1.00 50.10 ? 496 MAN A O2 1 HETATM 5044 O O3 . MAN X 2 . ? 15.587 24.061 8.546 1.00 51.45 ? 496 MAN A O3 1 HETATM 5045 O O4 . MAN X 2 . ? 16.508 25.431 6.261 1.00 53.21 ? 496 MAN A O4 1 HETATM 5046 O O5 . MAN X 2 . ? 13.732 27.604 7.368 1.00 47.74 ? 496 MAN A O5 1 HETATM 5047 O O6 . MAN X 2 . ? 15.941 27.447 4.456 1.00 54.82 ? 496 MAN A O6 1 HETATM 5048 H H1 . MAN X 2 . ? 12.740 27.605 9.140 1.00 45.41 ? 496 MAN A H1 1 HETATM 5049 H H2 . MAN X 2 . ? 14.153 25.728 10.131 1.00 50.10 ? 496 MAN A H2 1 HETATM 5050 H H3 . MAN X 2 . ? 16.190 26.029 8.826 1.00 50.11 ? 496 MAN A H3 1 HETATM 5051 H H4 . MAN X 2 . ? 14.466 25.161 6.444 1.00 50.32 ? 496 MAN A H4 1 HETATM 5052 H H5 . MAN X 2 . ? 15.761 27.887 7.089 1.00 50.40 ? 496 MAN A H5 1 HETATM 5053 H H61 . MAN X 2 . ? 14.408 28.669 5.132 1.00 52.19 ? 496 MAN A H61 1 HETATM 5054 H H62 . MAN X 2 . ? 13.946 27.005 4.784 1.00 52.19 ? 496 MAN A H62 1 HETATM 5055 H HO2 . MAN X 2 . ? 13.215 24.157 8.814 1.00 50.10 ? 496 MAN A HO2 1 HETATM 5056 H HO3 . MAN X 2 . ? 15.618 23.816 9.488 1.00 51.45 ? 496 MAN A HO3 1 HETATM 5057 H HO4 . MAN X 2 . ? 16.723 24.540 6.580 1.00 53.21 ? 496 MAN A HO4 1 HETATM 5058 H HO6 . MAN X 2 . ? 16.383 26.662 4.827 1.00 54.82 ? 496 MAN A HO6 1 HETATM 5059 C C1 . MAN Y 2 . ? 21.594 38.884 -0.881 1.00 56.14 ? 497 MAN A C1 1 HETATM 5060 C C2 . MAN Y 2 . ? 22.099 38.622 -2.300 1.00 59.53 ? 497 MAN A C2 1 HETATM 5061 C C3 . MAN Y 2 . ? 23.629 38.592 -2.282 1.00 61.46 ? 497 MAN A C3 1 HETATM 5062 C C4 . MAN Y 2 . ? 24.171 39.912 -1.715 1.00 62.11 ? 497 MAN A C4 1 HETATM 5063 C C5 . MAN Y 2 . ? 23.544 40.209 -0.340 1.00 62.21 ? 497 MAN A C5 1 HETATM 5064 C C6 . MAN Y 2 . ? 23.892 41.595 0.193 1.00 64.12 ? 497 MAN A C6 1 HETATM 5065 O O2 . MAN Y 2 . ? 21.645 39.655 -3.170 1.00 61.82 ? 497 MAN A O2 1 HETATM 5066 O O3 . MAN Y 2 . ? 24.125 38.393 -3.600 1.00 63.29 ? 497 MAN A O3 1 HETATM 5067 O O4 . MAN Y 2 . ? 25.588 39.827 -1.595 1.00 63.11 ? 497 MAN A O4 1 HETATM 5068 O O5 . MAN Y 2 . ? 22.099 40.134 -0.416 1.00 59.46 ? 497 MAN A O5 1 HETATM 5069 O O6 . MAN Y 2 . ? 23.137 42.608 -0.462 1.00 66.91 ? 497 MAN A O6 1 HETATM 5070 H H1 . MAN Y 2 . ? 20.490 38.958 -0.841 1.00 56.14 ? 497 MAN A H1 1 HETATM 5071 H H2 . MAN Y 2 . ? 21.734 37.639 -2.646 1.00 61.82 ? 497 MAN A H2 1 HETATM 5072 H H3 . MAN Y 2 . ? 23.985 37.768 -1.638 1.00 61.46 ? 497 MAN A H3 1 HETATM 5073 H H4 . MAN Y 2 . ? 23.920 40.738 -2.402 1.00 62.11 ? 497 MAN A H4 1 HETATM 5074 H H5 . MAN Y 2 . ? 23.944 39.449 0.355 1.00 62.21 ? 497 MAN A H5 1 HETATM 5075 H H61 . MAN Y 2 . ? 24.970 41.780 0.064 1.00 64.12 ? 497 MAN A H61 1 HETATM 5076 H H62 . MAN Y 2 . ? 23.701 41.621 1.277 1.00 64.12 ? 497 MAN A H62 1 HETATM 5077 H HO2 . MAN Y 2 . ? 21.755 40.488 -2.690 1.00 61.82 ? 497 MAN A HO2 1 HETATM 5078 H HO3 . MAN Y 2 . ? 23.525 38.898 -4.169 1.00 63.29 ? 497 MAN A HO3 1 HETATM 5079 H HO4 . MAN Y 2 . ? 25.888 39.528 -2.464 1.00 63.11 ? 497 MAN A HO4 1 HETATM 5080 H HO6 . MAN Y 2 . ? 22.486 42.967 0.148 1.00 66.91 ? 497 MAN A HO6 1 HETATM 5081 C C1A . GAC Z 5 . ? 33.170 20.622 8.181 1.00 4.08 ? 498 GAC A C1A 1 HETATM 5082 C C2A . GAC Z 5 . ? 34.370 20.482 9.121 1.00 6.02 ? 498 GAC A C2A 1 HETATM 5083 C C3A . GAC Z 5 . ? 33.998 19.616 10.323 1.00 4.24 ? 498 GAC A C3A 1 HETATM 5084 C C4A . GAC Z 5 . ? 32.901 20.289 11.143 1.00 6.15 ? 498 GAC A C4A 1 HETATM 5085 C C5A . GAC Z 5 . ? 31.630 20.514 10.300 1.00 4.06 ? 498 GAC A C5A 1 HETATM 5086 C C6A . GAC Z 5 . ? 30.612 21.349 11.082 1.00 5.31 ? 498 GAC A C6A 1 HETATM 5087 C C7A . GAC Z 5 . ? 31.948 21.184 8.934 1.00 4.20 ? 498 GAC A C7A 1 HETATM 5088 O O2A . GAC Z 5 . ? 35.453 19.879 8.431 1.00 5.30 ? 498 GAC A O2A 1 HETATM 5089 O O3A . GAC Z 5 . ? 35.144 19.427 11.142 1.00 6.57 ? 498 GAC A O3A 1 HETATM 5090 O O4A . GAC Z 5 . ? 32.594 19.474 12.273 1.00 5.45 ? 498 GAC A O4A 1 HETATM 5091 O O6A . GAC Z 5 . ? 31.127 22.642 11.401 1.00 5.49 ? 498 GAC A O6A 1 HETATM 5092 C C1B . GAC Z 5 . ? 31.706 18.270 3.522 1.00 7.00 ? 498 GAC A C1B 1 HETATM 5093 C C2B . GAC Z 5 . ? 33.179 18.615 3.786 1.00 7.07 ? 498 GAC A C2B 1 HETATM 5094 C C3B . GAC Z 5 . ? 33.494 18.445 5.286 1.00 4.90 ? 498 GAC A C3B 1 HETATM 5095 C C4B . GAC Z 5 . ? 32.573 19.381 6.087 1.00 5.70 ? 498 GAC A C4B 1 HETATM 5096 C C5B . GAC Z 5 . ? 31.127 18.938 5.790 1.00 5.21 ? 498 GAC A C5B 1 HETATM 5097 C C6B . GAC Z 5 . ? 30.066 19.772 6.483 1.00 5.74 ? 498 GAC A C6B 1 HETATM 5098 N N4B . GAC Z 5 . ? 32.876 19.318 7.536 1.00 4.87 ? 498 GAC A N4B 1 HETATM 5099 O O2B . GAC Z 5 . ? 34.002 17.737 3.025 1.00 7.53 ? 498 GAC A O2B 1 HETATM 5100 O O3B . GAC Z 5 . ? 34.864 18.740 5.542 1.00 6.16 ? 498 GAC A O3B 1 HETATM 5101 O O5B . GAC Z 5 . ? 30.863 19.049 4.371 1.00 6.68 ? 498 GAC A O5B 1 HETATM 5102 C C1C A GAC Z 5 . ? 30.703 13.600 1.485 0.63 15.18 ? 498 GAC A C1C 1 HETATM 5103 C C1C B GAC Z 5 . ? 28.268 14.357 2.696 0.37 13.20 ? 498 GAC A C1C 1 HETATM 5104 C C2C A GAC Z 5 . ? 30.334 14.921 0.837 0.63 15.17 ? 498 GAC A C2C 1 HETATM 5105 C C2C B GAC Z 5 . ? 28.133 15.805 2.228 0.37 12.04 ? 498 GAC A C2C 1 HETATM 5106 C C3C A GAC Z 5 . ? 30.997 16.081 1.581 0.63 12.94 ? 498 GAC A C3C 1 HETATM 5107 C C3C B GAC Z 5 . ? 29.502 16.489 2.202 0.37 9.70 ? 498 GAC A C3C 1 HETATM 5108 C C4C A GAC Z 5 . ? 30.706 16.013 3.094 0.63 11.14 ? 498 GAC A C4C 1 HETATM 5109 C C4C B GAC Z 5 . ? 30.155 16.369 3.594 0.37 9.07 ? 498 GAC A C4C 1 HETATM 5110 C C5C A GAC Z 5 . ? 30.968 14.611 3.640 0.63 11.05 ? 498 GAC A C5C 1 HETATM 5111 C C5C B GAC Z 5 . ? 30.218 14.896 3.989 0.37 8.63 ? 498 GAC A C5C 1 HETATM 5112 C C6C A GAC Z 5 . ? 30.513 14.442 5.079 0.63 9.95 ? 498 GAC A C6C 1 HETATM 5113 C C6C B GAC Z 5 . ? 30.811 14.677 5.367 0.37 6.83 ? 498 GAC A C6C 1 HETATM 5114 O O2C A GAC Z 5 . ? 30.778 14.922 -0.512 0.63 16.56 ? 498 GAC A O2C 1 HETATM 5115 O O2C B GAC Z 5 . ? 27.559 15.838 0.932 0.37 13.02 ? 498 GAC A O2C 1 HETATM 5116 O O3C A GAC Z 5 . ? 30.488 17.290 1.041 0.63 14.05 ? 498 GAC A O3C 1 HETATM 5117 O O3C B GAC Z 5 . ? 29.326 17.850 1.838 0.37 9.04 ? 498 GAC A O3C 1 HETATM 5118 O O4C A GAC Z 5 . ? 31.575 16.907 3.824 0.63 9.22 ? 498 GAC A O4C 1 HETATM 5119 O O4C B GAC Z 5 . ? 31.503 16.893 3.602 0.37 7.53 ? 498 GAC A O4C 1 HETATM 5120 O O5C A GAC Z 5 . ? 30.299 13.612 2.847 0.63 14.42 ? 498 GAC A O5C 1 HETATM 5121 O O5C B GAC Z 5 . ? 28.902 14.312 3.974 0.37 10.68 ? 498 GAC A O5C 1 HETATM 5122 O O6C A GAC Z 5 . ? 30.964 13.212 5.619 0.63 8.39 ? 498 GAC A O6C 1 HETATM 5123 O O6C B GAC Z 5 . ? 30.900 13.296 5.679 0.37 6.31 ? 498 GAC A O6C 1 HETATM 5124 C C1D A GAC Z 5 . ? 34.835 10.433 0.556 0.63 24.59 ? 498 GAC A C1D 1 HETATM 5125 C C1D B GAC Z 5 . ? 28.929 9.837 0.010 0.37 25.33 ? 498 GAC A C1D 1 HETATM 5126 C C2D A GAC Z 5 . ? 34.131 11.014 -0.672 0.63 24.45 ? 498 GAC A C2D 1 HETATM 5127 C C2D B GAC Z 5 . ? 27.578 10.527 0.139 0.37 24.78 ? 498 GAC A C2D 1 HETATM 5128 C C3D A GAC Z 5 . ? 33.485 12.341 -0.290 0.63 23.40 ? 498 GAC A C3D 1 HETATM 5129 C C3D B GAC Z 5 . ? 27.785 12.013 0.403 0.37 23.47 ? 498 GAC A C3D 1 HETATM 5130 C C4D A GAC Z 5 . ? 32.558 12.144 0.912 0.63 21.87 ? 498 GAC A C4D 1 HETATM 5131 C C4D B GAC Z 5 . ? 28.671 12.228 1.621 0.37 22.30 ? 498 GAC A C4D 1 HETATM 5132 C C5D A GAC Z 5 . ? 33.303 11.471 2.063 0.63 23.15 ? 498 GAC A C5D 1 HETATM 5133 C C5D B GAC Z 5 . ? 29.972 11.409 1.486 0.37 23.98 ? 498 GAC A C5D 1 HETATM 5134 C C6D A GAC Z 5 . ? 32.380 11.136 3.217 0.63 24.59 ? 498 GAC A C6D 1 HETATM 5135 C C6D B GAC Z 5 . ? 30.816 11.451 2.744 0.37 25.30 ? 498 GAC A C6D 1 HETATM 5136 O O1D A GAC Z 5 . ? 35.792 11.329 1.000 0.63 24.21 ? 498 GAC A O1D 1 HETATM 5137 O O1D B GAC Z 5 . ? 28.716 8.483 -0.189 0.37 26.72 ? 498 GAC A O1D 1 HETATM 5138 O O2D A GAC Z 5 . ? 35.070 11.222 -1.723 0.63 24.63 ? 498 GAC A O2D 1 HETATM 5139 O O2D B GAC Z 5 . ? 26.849 10.362 -1.062 0.37 25.29 ? 498 GAC A O2D 1 HETATM 5140 O O3D A GAC Z 5 . ? 32.748 12.854 -1.393 0.63 23.56 ? 498 GAC A O3D 1 HETATM 5141 O O3D B GAC Z 5 . ? 26.524 12.660 0.568 0.37 25.16 ? 498 GAC A O3D 1 HETATM 5142 O O4D A GAC Z 5 . ? 32.086 13.428 1.353 0.63 19.44 ? 498 GAC A O4D 1 HETATM 5143 O O4D B GAC Z 5 . ? 28.978 13.630 1.726 0.37 16.92 ? 498 GAC A O4D 1 HETATM 5144 O O5D A GAC Z 5 . ? 33.892 10.234 1.617 0.63 23.90 ? 498 GAC A O5D 1 HETATM 5145 O O5D B GAC Z 5 . ? 29.672 10.011 1.224 0.37 25.55 ? 498 GAC A O5D 1 HETATM 5146 O O6D A GAC Z 5 . ? 31.331 10.270 2.802 0.63 27.97 ? 498 GAC A O6D 1 HETATM 5147 O O6D B GAC Z 5 . ? 31.790 10.419 2.716 0.37 27.39 ? 498 GAC A O6D 1 HETATM 5148 H H1A . GAC Z 5 . ? 33.404 21.370 7.402 1.00 4.08 ? 498 GAC A H1A 1 HETATM 5149 H H2A . GAC Z 5 . ? 34.684 21.473 9.482 1.00 5.30 ? 498 GAC A H2A 1 HETATM 5150 H H3A . GAC Z 5 . ? 33.651 18.633 9.957 1.00 4.24 ? 498 GAC A H3A 1 HETATM 5151 H H4A . GAC Z 5 . ? 33.287 21.261 11.504 1.00 6.15 ? 498 GAC A H4A 1 HETATM 5152 H H5A . GAC Z 5 . ? 31.173 19.534 10.103 1.00 4.06 ? 498 GAC A H5A 1 HETATM 5153 H H6A1 . GAC Z 5 . ? 30.333 20.844 12.018 1.00 5.31 ? 498 GAC A H6A1 1 HETATM 5154 H H6A2 . GAC Z 5 . ? 29.702 21.482 10.484 1.00 5.31 ? 498 GAC A H6A2 1 HETATM 5155 H H7A1 . GAC Z 5 . ? 31.060 21.263 8.327 1.00 4.20 ? 498 GAC A H7A1 1 HETATM 5156 H H7A2 . GAC Z 5 . ? 32.188 22.235 9.136 1.00 4.20 ? 498 GAC A H7A2 1 HETATM 5157 H HOA2 . GAC Z 5 . ? 36.035 19.630 9.165 1.00 5.30 ? 498 GAC A HOA2 1 HETATM 5158 H HOA3 . GAC Z 5 . ? 34.940 18.683 11.723 1.00 6.57 ? 498 GAC A HOA3 1 HETATM 5159 H HOA4 . GAC Z 5 . ? 31.985 19.986 12.809 1.00 5.45 ? 498 GAC A HOA4 1 HETATM 5160 H HOA6 . GAC Z 5 . ? 31.027 22.826 12.347 1.00 5.49 ? 498 GAC A HOA6 1 HETATM 5161 H H1B . GAC Z 5 . ? 31.422 18.599 2.524 1.00 7.00 ? 498 GAC A H1B 1 HETATM 5162 H H2B . GAC Z 5 . ? 33.413 19.652 3.522 1.00 7.53 ? 498 GAC A H2B 1 HETATM 5163 H H3B . GAC Z 5 . ? 33.291 17.410 5.608 1.00 4.90 ? 498 GAC A H3B 1 HETATM 5164 H H4B . GAC Z 5 . ? 32.686 20.390 5.659 1.00 5.70 ? 498 GAC A H4B 1 HETATM 5165 H H5B . GAC Z 5 . ? 30.968 17.885 6.077 1.00 5.21 ? 498 GAC A H5B 1 HETATM 5166 H H6B1 . GAC Z 5 . ? 29.068 19.541 6.083 1.00 5.74 ? 498 GAC A H6B1 1 HETATM 5167 H H6B2 . GAC Z 5 . ? 30.263 20.831 6.290 1.00 5.74 ? 498 GAC A H6B2 1 HETATM 5168 H H6B3 . GAC Z 5 . ? 30.012 19.526 7.549 1.00 7.00 ? 498 GAC A H6B3 1 HETATM 5169 H HN4 . GAC Z 5 . ? 32.110 18.934 7.992 1.00 4.87 ? 498 GAC A HN4 1 HETATM 5170 H HOB2 . GAC Z 5 . ? 34.781 17.596 3.567 1.00 7.53 ? 498 GAC A HOB2 1 HETATM 5171 H HOB3 . GAC Z 5 . ? 35.314 17.883 5.615 1.00 6.16 ? 498 GAC A HOB3 1 HETATM 5172 H H1C A GAC Z 5 . ? 30.135 12.763 1.043 0.63 15.18 ? 498 GAC A H1C 1 HETATM 5173 H H1C B GAC Z 5 . ? 27.256 13.904 2.842 0.37 13.20 ? 498 GAC A H1C 1 HETATM 5174 H H2C A GAC Z 5 . ? 29.240 15.053 0.875 0.63 16.56 ? 498 GAC A H2C 1 HETATM 5175 H H2C B GAC Z 5 . ? 27.491 16.393 2.867 0.37 13.02 ? 498 GAC A H2C 1 HETATM 5176 H H3C A GAC Z 5 . ? 32.084 16.018 1.399 0.63 12.94 ? 498 GAC A H3C 1 HETATM 5177 H H3C B GAC Z 5 . ? 30.139 15.990 1.449 0.37 9.70 ? 498 GAC A H3C 1 HETATM 5178 H H4C A GAC Z 5 . ? 29.662 16.296 3.277 0.63 11.14 ? 498 GAC A H4C 1 HETATM 5179 H H4C B GAC Z 5 . ? 29.545 16.906 4.330 0.37 9.07 ? 498 GAC A H4C 1 HETATM 5180 H H5C A GAC Z 5 . ? 32.064 14.456 3.612 0.63 11.05 ? 498 GAC A H5C 1 HETATM 5181 H H5C B GAC Z 5 . ? 30.853 14.412 3.237 0.37 8.63 ? 498 GAC A H5C 1 HETATM 5182 H H6C1 A GAC Z 5 . ? 29.422 14.451 5.071 0.63 9.95 ? 498 GAC A H6C1 1 HETATM 5183 H H6C1 B GAC Z 5 . ? 30.415 15.303 6.161 0.37 6.83 ? 498 GAC A H6C1 1 HETATM 5184 H H6C2 A GAC Z 5 . ? 30.869 15.278 5.708 0.63 9.95 ? 498 GAC A H6C2 1 HETATM 5185 H H6C2 B GAC Z 5 . ? 31.841 15.053 5.274 0.37 6.83 ? 498 GAC A H6C2 1 HETATM 5186 H HOC2 A GAC Z 5 . ? 31.680 14.560 -0.528 0.63 16.56 ? 498 GAC A HOC2 1 HETATM 5187 H HOC2 B GAC Z 5 . ? 28.064 15.211 0.399 0.37 13.02 ? 498 GAC A HOC2 1 HETATM 5188 H HOC3 A GAC Z 5 . ? 30.279 17.080 0.114 0.63 14.05 ? 498 GAC A HOC3 1 HETATM 5189 H HOC3 B GAC Z 5 . ? 28.758 17.856 1.056 0.37 9.04 ? 498 GAC A HOC3 1 HETATM 5190 H HOC6 A GAC Z 5 . ? 31.924 13.265 5.730 0.63 8.39 ? 498 GAC A HOC6 1 HETATM 5191 H HOC6 B GAC Z 5 . ? 31.849 13.085 5.702 0.37 6.31 ? 498 GAC A HOC6 1 HETATM 5192 H H1D A GAC Z 5 . ? 35.316 9.466 0.343 0.63 24.59 ? 498 GAC A H1D 1 HETATM 5193 H H1D B GAC Z 5 . ? 29.504 10.224 -0.830 0.37 25.33 ? 498 GAC A H1D 1 HETATM 5194 H H2D A GAC Z 5 . ? 33.366 10.287 -1.007 0.63 24.63 ? 498 GAC A H2D 1 HETATM 5195 H H2D B GAC Z 5 . ? 27.077 10.065 0.975 0.37 25.29 ? 498 GAC A H2D 1 HETATM 5196 H H3D A GAC Z 5 . ? 34.283 13.057 -0.027 0.63 23.40 ? 498 GAC A H3D 1 HETATM 5197 H H3D B GAC Z 5 . ? 28.290 12.446 -0.466 0.37 23.47 ? 498 GAC A H3D 1 HETATM 5198 H H4D A GAC Z 5 . ? 31.773 11.453 0.568 0.63 21.87 ? 498 GAC A H4D 1 HETATM 5199 H H4D B GAC Z 5 . ? 28.151 11.825 2.512 0.37 22.30 ? 498 GAC A H4D 1 HETATM 5200 H H5D A GAC Z 5 . ? 34.086 12.152 2.442 0.63 23.15 ? 498 GAC A H5D 1 HETATM 5201 H H5D B GAC Z 5 . ? 30.587 11.828 0.675 0.37 23.98 ? 498 GAC A H5D 1 HETATM 5202 H H6D1 A GAC Z 5 . ? 31.982 12.052 3.656 0.63 24.59 ? 498 GAC A H6D1 1 HETATM 5203 H H6D1 B GAC Z 5 . ? 30.210 11.381 3.658 0.37 25.30 ? 498 GAC A H6D1 1 HETATM 5204 H H6D2 A GAC Z 5 . ? 32.964 10.693 4.018 0.63 24.59 ? 498 GAC A H6D2 1 HETATM 5205 H H6D2 B GAC Z 5 . ? 31.366 12.376 2.811 0.37 25.30 ? 498 GAC A H6D2 1 HETATM 5206 H HOD1 A GAC Z 5 . ? 36.224 10.922 1.756 0.63 24.21 ? 498 GAC A HOD1 1 HETATM 5207 H HOD1 B GAC Z 5 . ? 28.335 8.469 -1.106 0.37 26.72 ? 498 GAC A HOD1 1 HETATM 5208 H HOD2 A GAC Z 5 . ? 34.537 11.436 -2.511 0.63 24.63 ? 498 GAC A HOD2 1 HETATM 5209 H HOD2 B GAC Z 5 . ? 26.670 9.415 -1.145 0.37 25.29 ? 498 GAC A HOD2 1 HETATM 5210 H HOD3 A GAC Z 5 . ? 33.125 13.714 -1.636 0.63 23.56 ? 498 GAC A HOD3 1 HETATM 5211 H HOD3 B GAC Z 5 . ? 25.991 12.348 -0.174 0.37 25.16 ? 498 GAC A HOD3 1 HETATM 5212 H HOD6 A GAC Z 5 . ? 31.752 9.494 2.393 0.63 27.97 ? 498 GAC A HOD6 1 HETATM 5213 H HOD6 B GAC Z 5 . ? 32.620 10.728 2.341 0.37 27.39 ? 498 GAC A HOD6 1 HETATM 5214 H HN42 . GAC Z 5 . ? 33.667 18.748 7.653 1.00 4.87 ? 498 GAC A HN42 1 HETATM 5215 O O . HOH AA 6 . ? 33.734 23.713 10.354 1.00 12.89 ? 500 HOH A O 1 HETATM 5216 H H1 . HOH AA 6 . ? 32.846 23.546 10.703 1.00 12.89 ? 500 HOH A H1 1 HETATM 5217 H H2 . HOH AA 6 . ? 33.573 24.300 9.610 1.00 12.89 ? 500 HOH A H2 1 HETATM 5218 O O . HOH AA 6 . ? 27.277 21.782 16.628 1.00 4.28 ? 501 HOH A O 1 HETATM 5219 H H1 . HOH AA 6 . ? 27.526 21.350 17.461 1.00 4.28 ? 501 HOH A H1 1 HETATM 5220 H H2 . HOH AA 6 . ? 26.676 22.460 16.950 1.00 4.28 ? 501 HOH A H2 1 HETATM 5221 O O . HOH AA 6 . ? 42.456 14.643 8.921 1.00 4.69 ? 502 HOH A O 1 HETATM 5222 H H1 . HOH AA 6 . ? 42.802 15.397 8.427 1.00 4.69 ? 502 HOH A H1 1 HETATM 5223 H H2 . HOH AA 6 . ? 41.517 14.718 8.769 1.00 4.69 ? 502 HOH A H2 1 HETATM 5224 O O . HOH AA 6 . ? 27.283 11.413 18.585 1.00 4.71 ? 503 HOH A O 1 HETATM 5225 H H1 . HOH AA 6 . ? 28.074 10.874 18.500 1.00 4.71 ? 503 HOH A H1 1 HETATM 5226 H H2 . HOH AA 6 . ? 27.354 12.044 17.854 1.00 4.71 ? 503 HOH A H2 1 HETATM 5227 O O . HOH AA 6 . ? 40.298 13.106 13.289 1.00 5.08 ? 504 HOH A O 1 HETATM 5228 H H1 . HOH AA 6 . ? 40.959 12.593 12.814 1.00 5.08 ? 504 HOH A H1 1 HETATM 5229 H H2 . HOH AA 6 . ? 39.927 12.477 13.921 1.00 5.08 ? 504 HOH A H2 1 HETATM 5230 O O . HOH AA 6 . ? 30.711 25.289 14.717 1.00 5.12 ? 505 HOH A O 1 HETATM 5231 H H1 . HOH AA 6 . ? 30.540 24.344 14.840 1.00 5.12 ? 505 HOH A H1 1 HETATM 5232 H H2 . HOH AA 6 . ? 29.858 25.648 14.439 1.00 5.12 ? 505 HOH A H2 1 HETATM 5233 O O . HOH AA 6 . ? 21.750 11.455 13.164 1.00 5.23 ? 506 HOH A O 1 HETATM 5234 H H1 . HOH AA 6 . ? 22.602 11.886 13.312 1.00 5.23 ? 506 HOH A H1 1 HETATM 5235 H H2 . HOH AA 6 . ? 22.007 10.717 12.600 1.00 5.23 ? 506 HOH A H2 1 HETATM 5236 O O . HOH AA 6 . ? 30.620 15.479 15.210 1.00 5.26 ? 507 HOH A O 1 HETATM 5237 H H1 . HOH AA 6 . ? 29.890 15.012 14.794 1.00 5.26 ? 507 HOH A H1 1 HETATM 5238 H H2 . HOH AA 6 . ? 31.273 14.760 15.373 1.00 5.26 ? 507 HOH A H2 1 HETATM 5239 O O . HOH AA 6 . ? 40.226 14.968 5.596 1.00 5.32 ? 508 HOH A O 1 HETATM 5240 H H1 . HOH AA 6 . ? 39.568 15.669 5.567 1.00 5.32 ? 508 HOH A H1 1 HETATM 5241 H H2 . HOH AA 6 . ? 40.114 14.601 6.470 1.00 5.32 ? 508 HOH A H2 1 HETATM 5242 O O . HOH AA 6 . ? 35.540 18.751 24.464 1.00 5.42 ? 509 HOH A O 1 HETATM 5243 H H1 . HOH AA 6 . ? 34.973 19.489 24.213 1.00 5.42 ? 509 HOH A H1 1 HETATM 5244 H H2 . HOH AA 6 . ? 34.904 18.114 24.802 1.00 5.42 ? 509 HOH A H2 1 HETATM 5245 O O . HOH AA 6 . ? 24.717 5.295 32.017 1.00 5.76 ? 510 HOH A O 1 HETATM 5246 H H1 . HOH AA 6 . ? 24.000 5.475 31.392 1.00 5.76 ? 510 HOH A H1 1 HETATM 5247 H H2 . HOH AA 6 . ? 25.446 5.790 31.619 1.00 5.76 ? 510 HOH A H2 1 HETATM 5248 O O . HOH AA 6 . ? 25.457 10.722 20.507 1.00 5.78 ? 511 HOH A O 1 HETATM 5249 H H1 . HOH AA 6 . ? 24.730 10.227 20.068 1.00 5.78 ? 511 HOH A H1 1 HETATM 5250 H H2 . HOH AA 6 . ? 26.022 10.958 19.735 1.00 5.78 ? 511 HOH A H2 1 HETATM 5251 O O . HOH AA 6 . ? 32.293 13.544 16.044 1.00 5.78 ? 512 HOH A O 1 HETATM 5252 H H1 . HOH AA 6 . ? 33.107 13.108 15.765 1.00 5.78 ? 512 HOH A H1 1 HETATM 5253 H H2 . HOH AA 6 . ? 31.725 12.802 16.348 1.00 5.78 ? 512 HOH A H2 1 HETATM 5254 O O . HOH AA 6 . ? 23.259 9.205 19.775 1.00 5.81 ? 513 HOH A O 1 HETATM 5255 H H1 . HOH AA 6 . ? 22.407 9.409 20.176 1.00 5.81 ? 513 HOH A H1 1 HETATM 5256 H H2 . HOH AA 6 . ? 23.173 8.260 19.565 1.00 5.81 ? 513 HOH A H2 1 HETATM 5257 O O . HOH AA 6 . ? 45.452 24.709 24.296 1.00 5.83 ? 514 HOH A O 1 HETATM 5258 H H1 . HOH AA 6 . ? 45.741 25.485 23.790 1.00 5.83 ? 514 HOH A H1 1 HETATM 5259 H H2 . HOH AA 6 . ? 46.304 24.265 24.370 1.00 5.83 ? 514 HOH A H2 1 HETATM 5260 O O . HOH AA 6 . ? 28.462 17.053 21.994 1.00 5.86 ? 515 HOH A O 1 HETATM 5261 H H1 . HOH AA 6 . ? 29.300 16.949 21.523 1.00 5.86 ? 515 HOH A H1 1 HETATM 5262 H H2 . HOH AA 6 . ? 27.832 16.614 21.405 1.00 5.86 ? 515 HOH A H2 1 HETATM 5263 O O . HOH AA 6 . ? 36.447 7.798 13.579 1.00 5.92 ? 516 HOH A O 1 HETATM 5264 H H1 . HOH AA 6 . ? 36.888 8.439 12.999 1.00 5.92 ? 516 HOH A H1 1 HETATM 5265 H H2 . HOH AA 6 . ? 37.159 7.143 13.730 1.00 5.92 ? 516 HOH A H2 1 HETATM 5266 O O . HOH AA 6 . ? 39.839 24.660 18.252 1.00 5.99 ? 517 HOH A O 1 HETATM 5267 H H1 . HOH AA 6 . ? 39.670 25.225 19.040 1.00 5.99 ? 517 HOH A H1 1 HETATM 5268 H H2 . HOH AA 6 . ? 40.487 25.218 17.766 1.00 5.99 ? 517 HOH A H2 1 HETATM 5269 O O . HOH AA 6 . ? 50.701 16.759 10.178 1.00 6.06 ? 518 HOH A O 1 HETATM 5270 H H1 . HOH AA 6 . ? 50.491 15.833 9.988 1.00 6.06 ? 518 HOH A H1 1 HETATM 5271 H H2 . HOH AA 6 . ? 51.558 16.668 10.616 1.00 6.06 ? 518 HOH A H2 1 HETATM 5272 O O . HOH AA 6 . ? 29.537 3.870 15.785 1.00 6.27 ? 519 HOH A O 1 HETATM 5273 H H1 . HOH AA 6 . ? 29.562 3.260 15.031 1.00 6.27 ? 519 HOH A H1 1 HETATM 5274 H H2 . HOH AA 6 . ? 28.588 3.929 15.945 1.00 6.27 ? 519 HOH A H2 1 HETATM 5275 O O . HOH AA 6 . ? 42.525 28.223 18.624 1.00 6.45 ? 520 HOH A O 1 HETATM 5276 H H1 . HOH AA 6 . ? 42.298 28.984 19.170 1.00 6.45 ? 520 HOH A H1 1 HETATM 5277 H H2 . HOH AA 6 . ? 43.089 27.706 19.208 1.00 6.45 ? 520 HOH A H2 1 HETATM 5278 O O . HOH AA 6 . ? 30.443 11.500 16.719 1.00 6.46 ? 521 HOH A O 1 HETATM 5279 H H1 . HOH AA 6 . ? 29.488 11.396 16.596 1.00 6.46 ? 521 HOH A H1 1 HETATM 5280 H H2 . HOH AA 6 . ? 30.801 10.630 16.493 1.00 6.46 ? 521 HOH A H2 1 HETATM 5281 O O . HOH AA 6 . ? 47.585 15.815 4.111 1.00 6.49 ? 522 HOH A O 1 HETATM 5282 H H1 . HOH AA 6 . ? 47.758 15.971 3.172 1.00 6.49 ? 522 HOH A H1 1 HETATM 5283 H H2 . HOH AA 6 . ? 47.717 16.708 4.473 1.00 6.49 ? 522 HOH A H2 1 HETATM 5284 O O . HOH AA 6 . ? 21.341 8.667 27.954 1.00 6.64 ? 523 HOH A O 1 HETATM 5285 H H1 . HOH AA 6 . ? 20.853 9.343 27.461 1.00 6.64 ? 523 HOH A H1 1 HETATM 5286 H H2 . HOH AA 6 . ? 22.262 8.853 27.713 1.00 6.64 ? 523 HOH A H2 1 HETATM 5287 O O . HOH AA 6 . ? 46.348 12.035 24.681 1.00 6.73 ? 524 HOH A O 1 HETATM 5288 H H1 . HOH AA 6 . ? 45.670 12.287 24.041 1.00 6.73 ? 524 HOH A H1 1 HETATM 5289 H H2 . HOH AA 6 . ? 47.057 12.667 24.403 1.00 6.73 ? 524 HOH A H2 1 HETATM 5290 O O . HOH AA 6 . ? 42.321 24.138 3.679 1.00 6.87 ? 525 HOH A O 1 HETATM 5291 H H1 . HOH AA 6 . ? 42.471 25.074 3.486 1.00 6.87 ? 525 HOH A H1 1 HETATM 5292 H H2 . HOH AA 6 . ? 41.421 24.024 3.336 1.00 6.87 ? 525 HOH A H2 1 HETATM 5293 O O . HOH AA 6 . ? 39.203 5.502 16.974 1.00 6.99 ? 526 HOH A O 1 HETATM 5294 H H1 . HOH AA 6 . ? 39.664 4.683 16.711 1.00 6.99 ? 526 HOH A H1 1 HETATM 5295 H H2 . HOH AA 6 . ? 39.756 5.775 17.723 1.00 6.99 ? 526 HOH A H2 1 HETATM 5296 O O . HOH AA 6 . ? 37.360 28.353 10.953 1.00 6.99 ? 527 HOH A O 1 HETATM 5297 H H1 . HOH AA 6 . ? 36.992 28.241 10.067 1.00 6.99 ? 527 HOH A H1 1 HETATM 5298 H H2 . HOH AA 6 . ? 36.658 28.861 11.391 1.00 6.99 ? 527 HOH A H2 1 HETATM 5299 O O . HOH AA 6 . ? 39.429 14.609 24.851 1.00 7.01 ? 528 HOH A O 1 HETATM 5300 H H1 . HOH AA 6 . ? 39.130 13.710 24.689 1.00 7.01 ? 528 HOH A H1 1 HETATM 5301 H H2 . HOH AA 6 . ? 39.124 14.771 25.758 1.00 7.01 ? 528 HOH A H2 1 HETATM 5302 O O . HOH AA 6 . ? 38.987 24.461 2.438 1.00 7.26 ? 529 HOH A O 1 HETATM 5303 H H1 . HOH AA 6 . ? 39.034 23.499 2.418 1.00 7.26 ? 529 HOH A H1 1 HETATM 5304 H H2 . HOH AA 6 . ? 38.258 24.670 1.840 1.00 7.26 ? 529 HOH A H2 1 HETATM 5305 O O . HOH AA 6 . ? 36.957 11.180 14.134 1.00 7.48 ? 530 HOH A O 1 HETATM 5306 H H1 . HOH AA 6 . ? 36.640 12.075 14.313 1.00 7.48 ? 530 HOH A H1 1 HETATM 5307 H H2 . HOH AA 6 . ? 36.509 10.940 13.310 1.00 7.48 ? 530 HOH A H2 1 HETATM 5308 O O . HOH AA 6 . ? 38.311 5.630 14.337 1.00 7.62 ? 531 HOH A O 1 HETATM 5309 H H1 . HOH AA 6 . ? 38.459 5.678 15.306 1.00 7.62 ? 531 HOH A H1 1 HETATM 5310 H H2 . HOH AA 6 . ? 38.504 4.684 14.212 1.00 7.62 ? 531 HOH A H2 1 HETATM 5311 O O . HOH AA 6 . ? 18.490 20.563 11.661 1.00 7.70 ? 532 HOH A O 1 HETATM 5312 H H1 . HOH AA 6 . ? 18.124 20.040 10.925 1.00 7.70 ? 532 HOH A H1 1 HETATM 5313 H H2 . HOH AA 6 . ? 18.988 21.233 11.171 1.00 7.70 ? 532 HOH A H2 1 HETATM 5314 O O . HOH AA 6 . ? 22.239 6.392 19.839 1.00 7.72 ? 533 HOH A O 1 HETATM 5315 H H1 . HOH AA 6 . ? 21.390 6.623 19.444 1.00 7.72 ? 533 HOH A H1 1 HETATM 5316 H H2 . HOH AA 6 . ? 22.110 6.549 20.786 1.00 7.72 ? 533 HOH A H2 1 HETATM 5317 O O . HOH AA 6 . ? 39.047 -1.070 20.309 1.00 7.79 ? 534 HOH A O 1 HETATM 5318 H H1 . HOH AA 6 . ? 38.867 -0.924 21.247 1.00 7.79 ? 534 HOH A H1 1 HETATM 5319 H H2 . HOH AA 6 . ? 39.876 -1.583 20.388 1.00 7.79 ? 534 HOH A H2 1 HETATM 5320 O O . HOH AA 6 . ? 41.826 26.173 16.978 1.00 7.86 ? 535 HOH A O 1 HETATM 5321 H H1 . HOH AA 6 . ? 42.035 26.970 17.516 1.00 7.86 ? 535 HOH A H1 1 HETATM 5322 H H2 . HOH AA 6 . ? 42.076 26.455 16.092 1.00 7.86 ? 535 HOH A H2 1 HETATM 5323 O O . HOH AA 6 . ? 24.490 20.634 21.673 1.00 7.87 ? 536 HOH A O 1 HETATM 5324 H H1 . HOH AA 6 . ? 24.087 21.054 22.456 1.00 7.87 ? 536 HOH A H1 1 HETATM 5325 H H2 . HOH AA 6 . ? 25.262 20.198 22.051 1.00 7.87 ? 536 HOH A H2 1 HETATM 5326 O O . HOH AA 6 . ? 45.318 14.872 5.445 1.00 8.00 ? 537 HOH A O 1 HETATM 5327 H H1 . HOH AA 6 . ? 45.244 15.428 6.229 1.00 8.00 ? 537 HOH A H1 1 HETATM 5328 H H2 . HOH AA 6 . ? 46.071 15.294 4.977 1.00 8.00 ? 537 HOH A H2 1 HETATM 5329 O O . HOH AA 6 . ? 47.819 6.127 29.224 1.00 8.24 ? 538 HOH A O 1 HETATM 5330 H H1 . HOH AA 6 . ? 48.752 5.954 29.472 1.00 8.24 ? 538 HOH A H1 1 HETATM 5331 H H2 . HOH AA 6 . ? 47.395 5.961 30.097 1.00 8.24 ? 538 HOH A H2 1 HETATM 5332 O O . HOH AA 6 . ? 14.677 27.607 19.201 1.00 8.46 ? 539 HOH A O 1 HETATM 5333 H H1 . HOH AA 6 . ? 15.334 26.987 19.542 1.00 8.46 ? 539 HOH A H1 1 HETATM 5334 H H2 . HOH AA 6 . ? 13.899 27.355 19.716 1.00 8.46 ? 539 HOH A H2 1 HETATM 5335 O O . HOH AA 6 . ? 40.535 8.683 9.371 1.00 8.58 ? 540 HOH A O 1 HETATM 5336 H H1 . HOH AA 6 . ? 41.178 9.400 9.231 1.00 8.58 ? 540 HOH A H1 1 HETATM 5337 H H2 . HOH AA 6 . ? 39.868 8.880 8.698 1.00 8.58 ? 540 HOH A H2 1 HETATM 5338 O O . HOH AA 6 . ? 24.461 18.141 20.097 1.00 8.80 ? 541 HOH A O 1 HETATM 5339 H H1 . HOH AA 6 . ? 24.358 18.313 19.147 1.00 8.80 ? 541 HOH A H1 1 HETATM 5340 H H2 . HOH AA 6 . ? 24.262 19.032 20.438 1.00 8.80 ? 541 HOH A H2 1 HETATM 5341 O O . HOH AA 6 . ? 41.498 3.575 14.641 1.00 8.95 ? 542 HOH A O 1 HETATM 5342 H H1 . HOH AA 6 . ? 42.152 2.958 14.973 1.00 8.95 ? 542 HOH A H1 1 HETATM 5343 H H2 . HOH AA 6 . ? 42.003 4.393 14.565 1.00 8.95 ? 542 HOH A H2 1 HETATM 5344 O O . HOH AA 6 . ? 26.075 15.926 20.359 1.00 9.04 ? 543 HOH A O 1 HETATM 5345 H H1 . HOH AA 6 . ? 25.458 16.653 20.135 1.00 9.04 ? 543 HOH A H1 1 HETATM 5346 H H2 . HOH AA 6 . ? 25.697 15.655 21.201 1.00 9.04 ? 543 HOH A H2 1 HETATM 5347 O O . HOH AA 6 . ? 39.975 17.170 24.154 1.00 9.08 ? 544 HOH A O 1 HETATM 5348 H H1 . HOH AA 6 . ? 39.799 16.215 24.321 1.00 9.08 ? 544 HOH A H1 1 HETATM 5349 H H2 . HOH AA 6 . ? 40.877 17.284 24.469 1.00 9.08 ? 544 HOH A H2 1 HETATM 5350 O O . HOH AA 6 . ? 47.673 -0.687 20.635 1.00 9.17 ? 545 HOH A O 1 HETATM 5351 H H1 . HOH AA 6 . ? 47.021 -1.381 20.806 1.00 9.17 ? 545 HOH A H1 1 HETATM 5352 H H2 . HOH AA 6 . ? 47.468 -0.055 21.331 1.00 9.17 ? 545 HOH A H2 1 HETATM 5353 O O . HOH AA 6 . ? 56.632 27.764 9.602 1.00 9.51 ? 546 HOH A O 1 HETATM 5354 H H1 . HOH AA 6 . ? 55.753 27.448 9.839 1.00 9.51 ? 546 HOH A H1 1 HETATM 5355 H H2 . HOH AA 6 . ? 56.916 27.068 8.986 1.00 9.51 ? 546 HOH A H2 1 HETATM 5356 O O . HOH AA 6 . ? 38.288 19.311 24.476 1.00 9.54 ? 547 HOH A O 1 HETATM 5357 H H1 . HOH AA 6 . ? 37.378 18.955 24.426 1.00 9.54 ? 547 HOH A H1 1 HETATM 5358 H H2 . HOH AA 6 . ? 38.830 18.503 24.320 1.00 9.54 ? 547 HOH A H2 1 HETATM 5359 O O . HOH AA 6 . ? 34.825 -0.753 36.294 1.00 9.63 ? 548 HOH A O 1 HETATM 5360 H H1 . HOH AA 6 . ? 34.615 -0.364 37.159 1.00 9.63 ? 548 HOH A H1 1 HETATM 5361 H H2 . HOH AA 6 . ? 34.347 -1.593 36.323 1.00 9.63 ? 548 HOH A H2 1 HETATM 5362 O O . HOH AA 6 . ? 56.545 26.924 12.314 1.00 9.83 ? 549 HOH A O 1 HETATM 5363 H H1 . HOH AA 6 . ? 56.756 27.400 11.498 1.00 9.83 ? 549 HOH A H1 1 HETATM 5364 H H2 . HOH AA 6 . ? 57.420 27.023 12.748 1.00 9.83 ? 549 HOH A H2 1 HETATM 5365 O O . HOH AA 6 . ? 39.358 25.868 20.625 1.00 10.10 ? 550 HOH A O 1 HETATM 5366 H H1 . HOH AA 6 . ? 38.661 25.417 21.145 1.00 10.10 ? 550 HOH A H1 1 HETATM 5367 H H2 . HOH AA 6 . ? 39.566 26.648 21.155 1.00 10.10 ? 550 HOH A H2 1 HETATM 5368 O O . HOH AA 6 . ? 17.653 3.002 37.629 1.00 10.36 ? 551 HOH A O 1 HETATM 5369 H H1 . HOH AA 6 . ? 18.114 2.346 38.173 1.00 10.36 ? 551 HOH A H1 1 HETATM 5370 H H2 . HOH AA 6 . ? 16.865 3.147 38.172 1.00 10.36 ? 551 HOH A H2 1 HETATM 5371 O O . HOH AA 6 . ? 25.371 12.223 10.995 1.00 10.36 ? 552 HOH A O 1 HETATM 5372 H H1 . HOH AA 6 . ? 25.379 11.276 11.174 1.00 10.36 ? 552 HOH A H1 1 HETATM 5373 H H2 . HOH AA 6 . ? 24.455 12.435 11.218 1.00 10.36 ? 552 HOH A H2 1 HETATM 5374 O O . HOH AA 6 . ? 30.658 35.333 9.263 1.00 10.43 ? 553 HOH A O 1 HETATM 5375 H H1 . HOH AA 6 . ? 30.229 36.106 8.869 1.00 10.43 ? 553 HOH A H1 1 HETATM 5376 H H2 . HOH AA 6 . ? 31.523 35.338 8.817 1.00 10.43 ? 553 HOH A H2 1 HETATM 5377 O O . HOH AA 6 . ? 62.739 21.174 21.525 1.00 10.52 ? 554 HOH A O 1 HETATM 5378 H H1 . HOH AA 6 . ? 63.371 20.965 22.236 1.00 10.52 ? 554 HOH A H1 1 HETATM 5379 H H2 . HOH AA 6 . ? 63.029 22.080 21.330 1.00 10.52 ? 554 HOH A H2 1 HETATM 5380 O O . HOH AA 6 . ? 40.730 20.497 30.995 1.00 10.66 ? 555 HOH A O 1 HETATM 5381 H H1 . HOH AA 6 . ? 41.583 20.406 31.442 1.00 10.66 ? 555 HOH A H1 1 HETATM 5382 H H2 . HOH AA 6 . ? 40.094 20.227 31.692 1.00 10.66 ? 555 HOH A H2 1 HETATM 5383 O O . HOH AA 6 . ? 29.872 12.261 28.146 1.00 10.72 ? 556 HOH A O 1 HETATM 5384 H H1 . HOH AA 6 . ? 29.110 12.533 27.635 1.00 10.72 ? 556 HOH A H1 1 HETATM 5385 H H2 . HOH AA 6 . ? 30.269 11.618 27.550 1.00 10.72 ? 556 HOH A H2 1 HETATM 5386 O O . HOH AA 6 . ? 14.788 10.766 15.221 1.00 10.90 ? 557 HOH A O 1 HETATM 5387 H H1 . HOH AA 6 . ? 14.929 9.797 15.215 1.00 10.90 ? 557 HOH A H1 1 HETATM 5388 H H2 . HOH AA 6 . ? 14.434 10.851 16.134 1.00 10.90 ? 557 HOH A H2 1 HETATM 5389 O O . HOH AA 6 . ? 62.177 21.146 13.305 1.00 10.98 ? 558 HOH A O 1 HETATM 5390 H H1 . HOH AA 6 . ? 61.655 20.940 12.503 1.00 10.98 ? 558 HOH A H1 1 HETATM 5391 H H2 . HOH AA 6 . ? 62.619 20.308 13.498 1.00 10.98 ? 558 HOH A H2 1 HETATM 5392 O O . HOH AA 6 . ? 26.878 3.443 31.097 1.00 11.04 ? 559 HOH A O 1 HETATM 5393 H H1 . HOH AA 6 . ? 27.595 3.112 30.537 1.00 11.04 ? 559 HOH A H1 1 HETATM 5394 H H2 . HOH AA 6 . ? 26.256 3.733 30.423 1.00 11.04 ? 559 HOH A H2 1 HETATM 5395 O O . HOH AA 6 . ? 64.265 15.204 20.146 1.00 11.44 ? 560 HOH A O 1 HETATM 5396 H H1 . HOH AA 6 . ? 65.005 14.734 19.754 1.00 11.44 ? 560 HOH A H1 1 HETATM 5397 H H2 . HOH AA 6 . ? 63.492 14.708 19.798 1.00 11.44 ? 560 HOH A H2 1 HETATM 5398 O O . HOH AA 6 . ? 38.571 19.779 32.811 1.00 11.54 ? 561 HOH A O 1 HETATM 5399 H H1 . HOH AA 6 . ? 38.601 19.392 33.705 1.00 11.54 ? 561 HOH A H1 1 HETATM 5400 H H2 . HOH AA 6 . ? 38.171 19.029 32.309 1.00 11.54 ? 561 HOH A H2 1 HETATM 5401 O O . HOH AA 6 . ? 37.601 17.778 31.258 1.00 11.56 ? 562 HOH A O 1 HETATM 5402 H H1 . HOH AA 6 . ? 38.037 16.924 31.122 1.00 11.56 ? 562 HOH A H1 1 HETATM 5403 H H2 . HOH AA 6 . ? 36.792 17.659 30.755 1.00 11.56 ? 562 HOH A H2 1 HETATM 5404 O O . HOH AA 6 . ? 21.576 30.981 24.135 1.00 11.60 ? 563 HOH A O 1 HETATM 5405 H H1 . HOH AA 6 . ? 20.716 30.541 24.018 1.00 11.60 ? 563 HOH A H1 1 HETATM 5406 H H2 . HOH AA 6 . ? 21.942 30.910 23.238 1.00 11.60 ? 563 HOH A H2 1 HETATM 5407 O O . HOH AA 6 . ? 24.077 1.857 36.588 1.00 11.79 ? 564 HOH A O 1 HETATM 5408 H H1 . HOH AA 6 . ? 24.010 2.825 36.560 1.00 11.79 ? 564 HOH A H1 1 HETATM 5409 H H2 . HOH AA 6 . ? 24.160 1.553 35.671 1.00 11.79 ? 564 HOH A H2 1 HETATM 5410 O O . HOH AA 6 . ? 47.997 13.870 23.705 1.00 11.81 ? 565 HOH A O 1 HETATM 5411 H H1 . HOH AA 6 . ? 48.814 13.993 23.213 1.00 11.81 ? 565 HOH A H1 1 HETATM 5412 H H2 . HOH AA 6 . ? 47.747 14.795 23.831 1.00 11.81 ? 565 HOH A H2 1 HETATM 5413 O O . HOH AA 6 . ? 16.637 26.979 26.171 1.00 11.97 ? 566 HOH A O 1 HETATM 5414 H H1 . HOH AA 6 . ? 16.715 27.535 26.960 1.00 11.97 ? 566 HOH A H1 1 HETATM 5415 H H2 . HOH AA 6 . ? 16.662 26.085 26.532 1.00 11.97 ? 566 HOH A H2 1 HETATM 5416 O O . HOH AA 6 . ? 16.136 9.836 23.659 1.00 12.03 ? 567 HOH A O 1 HETATM 5417 H H1 . HOH AA 6 . ? 17.059 10.052 23.438 1.00 12.03 ? 567 HOH A H1 1 HETATM 5418 H H2 . HOH AA 6 . ? 15.649 10.377 23.011 1.00 12.03 ? 567 HOH A H2 1 HETATM 5419 O O . HOH AA 6 . ? 20.442 27.049 26.338 1.00 12.06 ? 568 HOH A O 1 HETATM 5420 H H1 . HOH AA 6 . ? 20.297 26.964 25.392 1.00 12.06 ? 568 HOH A H1 1 HETATM 5421 H H2 . HOH AA 6 . ? 20.978 27.871 26.355 1.00 12.06 ? 568 HOH A H2 1 HETATM 5422 O O . HOH AA 6 . ? 39.614 21.605 24.375 1.00 12.08 ? 569 HOH A O 1 HETATM 5423 H H1 . HOH AA 6 . ? 39.012 22.334 24.610 1.00 12.08 ? 569 HOH A H1 1 HETATM 5424 H H2 . HOH AA 6 . ? 39.038 20.804 24.429 1.00 12.08 ? 569 HOH A H2 1 HETATM 5425 O O . HOH AA 6 . ? 18.721 8.271 34.962 1.00 12.17 ? 570 HOH A O 1 HETATM 5426 H H1 . HOH AA 6 . ? 19.361 8.463 35.677 1.00 12.17 ? 570 HOH A H1 1 HETATM 5427 H H2 . HOH AA 6 . ? 18.807 7.309 34.930 1.00 12.17 ? 570 HOH A H2 1 HETATM 5428 O O . HOH AA 6 . ? 45.679 12.209 5.633 1.00 12.23 ? 571 HOH A O 1 HETATM 5429 H H1 . HOH AA 6 . ? 45.749 13.185 5.563 1.00 12.23 ? 571 HOH A H1 1 HETATM 5430 H H2 . HOH AA 6 . ? 46.602 11.873 5.686 1.00 12.23 ? 571 HOH A H2 1 HETATM 5431 O O . HOH AA 6 . ? 59.197 28.633 9.890 1.00 12.35 ? 572 HOH A O 1 HETATM 5432 H H1 . HOH AA 6 . ? 59.279 29.534 9.566 1.00 12.35 ? 572 HOH A H1 1 HETATM 5433 H H2 . HOH AA 6 . ? 58.228 28.500 9.872 1.00 12.35 ? 572 HOH A H2 1 HETATM 5434 O O . HOH AA 6 . ? 59.271 27.741 12.601 1.00 12.41 ? 573 HOH A O 1 HETATM 5435 H H1 . HOH AA 6 . ? 59.537 28.157 11.762 1.00 12.41 ? 573 HOH A H1 1 HETATM 5436 H H2 . HOH AA 6 . ? 60.039 27.891 13.172 1.00 12.41 ? 573 HOH A H2 1 HETATM 5437 O O . HOH AA 6 . ? 27.187 2.562 21.312 1.00 12.83 ? 574 HOH A O 1 HETATM 5438 H H1 . HOH AA 6 . ? 26.776 2.751 22.168 1.00 12.83 ? 574 HOH A H1 1 HETATM 5439 H H2 . HOH AA 6 . ? 27.655 1.716 21.472 1.00 12.83 ? 574 HOH A H2 1 HETATM 5440 O O . HOH AA 6 . ? 39.344 18.065 -0.166 1.00 12.84 ? 575 HOH A O 1 HETATM 5441 H H1 . HOH AA 6 . ? 38.376 17.921 -0.207 1.00 12.84 ? 575 HOH A H1 1 HETATM 5442 H H2 . HOH AA 6 . ? 39.531 17.802 0.745 1.00 12.84 ? 575 HOH A H2 1 HETATM 5443 O O . HOH AA 6 . ? 25.958 19.801 6.567 1.00 12.99 ? 576 HOH A O 1 HETATM 5444 H H1 . HOH AA 6 . ? 25.505 20.653 6.502 1.00 12.99 ? 576 HOH A H1 1 HETATM 5445 H H2 . HOH AA 6 . ? 26.123 19.611 5.622 1.00 12.99 ? 576 HOH A H2 1 HETATM 5446 O O . HOH AA 6 . ? 36.961 22.076 32.715 1.00 13.05 ? 577 HOH A O 1 HETATM 5447 H H1 . HOH AA 6 . ? 37.380 22.863 32.368 1.00 13.05 ? 577 HOH A H1 1 HETATM 5448 H H2 . HOH AA 6 . ? 37.578 21.359 32.492 1.00 13.05 ? 577 HOH A H2 1 HETATM 5449 O O . HOH AA 6 . ? 12.869 23.925 19.011 1.00 13.42 ? 578 HOH A O 1 HETATM 5450 H H1 . HOH AA 6 . ? 13.496 24.119 19.717 1.00 13.42 ? 578 HOH A H1 1 HETATM 5451 H H2 . HOH AA 6 . ? 13.435 23.570 18.317 1.00 13.42 ? 578 HOH A H2 1 HETATM 5452 O O . HOH AA 6 . ? 16.168 13.222 30.190 1.00 13.68 ? 579 HOH A O 1 HETATM 5453 H H1 . HOH AA 6 . ? 16.397 12.467 29.599 1.00 13.68 ? 579 HOH A H1 1 HETATM 5454 H H2 . HOH AA 6 . ? 15.194 13.166 30.166 1.00 13.68 ? 579 HOH A H2 1 HETATM 5455 O O . HOH AA 6 . ? 45.625 1.724 11.513 1.00 13.86 ? 580 HOH A O 1 HETATM 5456 H H1 . HOH AA 6 . ? 44.846 1.397 11.028 1.00 13.86 ? 580 HOH A H1 1 HETATM 5457 H H2 . HOH AA 6 . ? 45.741 1.053 12.202 1.00 13.86 ? 580 HOH A H2 1 HETATM 5458 O O . HOH AA 6 . ? 28.303 36.928 9.192 1.00 14.30 ? 581 HOH A O 1 HETATM 5459 H H1 . HOH AA 6 . ? 28.440 36.416 10.008 1.00 14.30 ? 581 HOH A H1 1 HETATM 5460 H H2 . HOH AA 6 . ? 27.394 36.697 8.962 1.00 14.30 ? 581 HOH A H2 1 HETATM 5461 O O . HOH AA 6 . ? 17.141 29.383 19.635 1.00 14.36 ? 582 HOH A O 1 HETATM 5462 H H1 . HOH AA 6 . ? 16.281 29.061 19.327 1.00 14.36 ? 582 HOH A H1 1 HETATM 5463 H H2 . HOH AA 6 . ? 17.111 30.300 19.305 1.00 14.36 ? 582 HOH A H2 1 HETATM 5464 O O . HOH AA 6 . ? 44.625 23.207 -1.047 1.00 14.64 ? 583 HOH A O 1 HETATM 5465 H H1 . HOH AA 6 . ? 45.295 22.567 -1.330 1.00 14.64 ? 583 HOH A H1 1 HETATM 5466 H H2 . HOH AA 6 . ? 43.799 22.748 -1.233 1.00 14.64 ? 583 HOH A H2 1 HETATM 5467 O O . HOH AA 6 . ? 60.489 20.529 11.192 1.00 14.66 ? 584 HOH A O 1 HETATM 5468 H H1 . HOH AA 6 . ? 59.525 20.477 11.265 1.00 14.66 ? 584 HOH A H1 1 HETATM 5469 H H2 . HOH AA 6 . ? 60.701 19.601 10.957 1.00 14.66 ? 584 HOH A H2 1 HETATM 5470 O O . HOH AA 6 . ? 40.378 16.835 33.719 1.00 14.68 ? 585 HOH A O 1 HETATM 5471 H H1 . HOH AA 6 . ? 40.415 17.066 32.784 1.00 14.68 ? 585 HOH A H1 1 HETATM 5472 H H2 . HOH AA 6 . ? 40.323 15.874 33.665 1.00 14.68 ? 585 HOH A H2 1 HETATM 5473 O O . HOH AA 6 . ? 50.280 5.425 30.117 1.00 15.20 ? 586 HOH A O 1 HETATM 5474 H H1 . HOH AA 6 . ? 50.177 4.767 30.824 1.00 15.20 ? 586 HOH A H1 1 HETATM 5475 H H2 . HOH AA 6 . ? 50.873 4.965 29.506 1.00 15.20 ? 586 HOH A H2 1 HETATM 5476 O O . HOH AA 6 . ? 19.153 21.877 8.146 1.00 15.24 ? 587 HOH A O 1 HETATM 5477 H H1 . HOH AA 6 . ? 19.528 22.248 7.331 1.00 15.24 ? 587 HOH A H1 1 HETATM 5478 H H2 . HOH AA 6 . ? 19.736 22.251 8.815 1.00 15.24 ? 587 HOH A H2 1 HETATM 5479 O O . HOH AA 6 . ? 60.700 17.839 10.671 1.00 15.38 ? 588 HOH A O 1 HETATM 5480 H H1 . HOH AA 6 . ? 59.988 17.418 11.172 1.00 15.38 ? 588 HOH A H1 1 HETATM 5481 H H2 . HOH AA 6 . ? 60.321 17.812 9.772 1.00 15.38 ? 588 HOH A H2 1 HETATM 5482 O O . HOH AA 6 . ? 65.360 19.814 12.692 1.00 15.61 ? 589 HOH A O 1 HETATM 5483 H H1 . HOH AA 6 . ? 65.882 19.056 12.979 1.00 15.61 ? 589 HOH A H1 1 HETATM 5484 H H2 . HOH AA 6 . ? 65.516 19.843 11.736 1.00 15.61 ? 589 HOH A H2 1 HETATM 5485 O O . HOH AA 6 . ? 16.903 19.594 25.041 1.00 15.67 ? 590 HOH A O 1 HETATM 5486 H H1 . HOH AA 6 . ? 17.113 18.786 24.555 1.00 15.67 ? 590 HOH A H1 1 HETATM 5487 H H2 . HOH AA 6 . ? 17.438 20.220 24.530 1.00 15.67 ? 590 HOH A H2 1 HETATM 5488 O O . HOH AA 6 . ? 23.373 17.634 5.342 1.00 15.80 ? 591 HOH A O 1 HETATM 5489 H H1 . HOH AA 6 . ? 22.773 18.280 4.921 1.00 15.80 ? 591 HOH A H1 1 HETATM 5490 H H2 . HOH AA 6 . ? 23.853 17.344 4.552 1.00 15.80 ? 591 HOH A H2 1 HETATM 5491 O O . HOH AA 6 . ? 21.989 29.404 26.343 1.00 15.87 ? 592 HOH A O 1 HETATM 5492 H H1 . HOH AA 6 . ? 22.064 29.979 25.555 1.00 15.87 ? 592 HOH A H1 1 HETATM 5493 H H2 . HOH AA 6 . ? 22.884 29.449 26.708 1.00 15.87 ? 592 HOH A H2 1 HETATM 5494 O O . HOH AA 6 . ? 73.146 22.653 16.693 1.00 15.92 ? 593 HOH A O 1 HETATM 5495 H H1 . HOH AA 6 . ? 74.102 22.628 16.906 1.00 15.92 ? 593 HOH A H1 1 HETATM 5496 H H2 . HOH AA 6 . ? 73.051 21.794 16.230 1.00 15.92 ? 593 HOH A H2 1 HETATM 5497 O O . HOH AA 6 . ? 16.946 15.764 29.398 1.00 16.08 ? 594 HOH A O 1 HETATM 5498 H H1 . HOH AA 6 . ? 17.796 15.572 28.990 1.00 16.08 ? 594 HOH A H1 1 HETATM 5499 H H2 . HOH AA 6 . ? 16.684 14.884 29.737 1.00 16.08 ? 594 HOH A H2 1 HETATM 5500 O O . HOH AA 6 . ? 51.952 20.037 16.181 1.00 16.65 ? 595 HOH A O 1 HETATM 5501 H H1 . HOH AA 6 . ? 51.560 19.760 17.014 1.00 16.65 ? 595 HOH A H1 1 HETATM 5502 H H2 . HOH AA 6 . ? 51.790 20.989 16.214 1.00 16.65 ? 595 HOH A H2 1 HETATM 5503 O O . HOH AA 6 . ? 31.518 -0.680 25.668 1.00 16.80 ? 596 HOH A O 1 HETATM 5504 H H1 . HOH AA 6 . ? 30.769 -0.218 25.265 1.00 16.80 ? 596 HOH A H1 1 HETATM 5505 H H2 . HOH AA 6 . ? 32.252 -0.070 25.470 1.00 16.80 ? 596 HOH A H2 1 HETATM 5506 O O . HOH AA 6 . ? 28.098 4.332 11.482 1.00 17.01 ? 597 HOH A O 1 HETATM 5507 H H1 . HOH AA 6 . ? 27.720 5.063 11.998 1.00 17.01 ? 597 HOH A H1 1 HETATM 5508 H H2 . HOH AA 6 . ? 28.459 3.779 12.204 1.00 17.01 ? 597 HOH A H2 1 HETATM 5509 O O . HOH AA 6 . ? 16.768 11.177 28.673 1.00 17.02 ? 598 HOH A O 1 HETATM 5510 H H1 . HOH AA 6 . ? 16.401 10.516 28.071 1.00 17.02 ? 598 HOH A H1 1 HETATM 5511 H H2 . HOH AA 6 . ? 17.612 10.777 28.922 1.00 17.02 ? 598 HOH A H2 1 HETATM 5512 O O . HOH AA 6 . ? 31.540 1.101 36.518 1.00 17.20 ? 599 HOH A O 1 HETATM 5513 H H1 . HOH AA 6 . ? 32.261 1.709 36.281 1.00 17.20 ? 599 HOH A H1 1 HETATM 5514 H H2 . HOH AA 6 . ? 31.483 0.526 35.736 1.00 17.20 ? 599 HOH A H2 1 HETATM 5515 O O . HOH AA 6 . ? 39.358 34.730 25.701 1.00 17.28 ? 600 HOH A O 1 HETATM 5516 H H1 . HOH AA 6 . ? 39.784 33.954 25.314 1.00 17.28 ? 600 HOH A H1 1 HETATM 5517 H H2 . HOH AA 6 . ? 39.789 35.483 25.264 1.00 17.28 ? 600 HOH A H2 1 HETATM 5518 O O . HOH AA 6 . ? 25.807 -2.733 28.772 1.00 17.34 ? 601 HOH A O 1 HETATM 5519 H H1 . HOH AA 6 . ? 26.311 -3.562 28.780 1.00 17.34 ? 601 HOH A H1 1 HETATM 5520 H H2 . HOH AA 6 . ? 25.864 -2.625 27.805 1.00 17.34 ? 601 HOH A H2 1 HETATM 5521 O O . HOH AA 6 . ? 61.943 13.857 19.558 1.00 17.42 ? 602 HOH A O 1 HETATM 5522 H H1 . HOH AA 6 . ? 62.055 13.365 20.391 1.00 17.42 ? 602 HOH A H1 1 HETATM 5523 H H2 . HOH AA 6 . ? 61.086 14.266 19.751 1.00 17.42 ? 602 HOH A H2 1 HETATM 5524 O O . HOH AA 6 . ? 44.183 24.284 1.319 1.00 17.49 ? 603 HOH A O 1 HETATM 5525 H H1 . HOH AA 6 . ? 43.910 23.560 1.895 1.00 17.49 ? 603 HOH A H1 1 HETATM 5526 H H2 . HOH AA 6 . ? 44.393 23.845 0.471 1.00 17.49 ? 603 HOH A H2 1 HETATM 5527 O O . HOH AA 6 . ? 37.951 -2.811 18.437 1.00 17.66 ? 604 HOH A O 1 HETATM 5528 H H1 . HOH AA 6 . ? 38.711 -3.286 18.059 1.00 17.66 ? 604 HOH A H1 1 HETATM 5529 H H2 . HOH AA 6 . ? 38.369 -2.207 19.080 1.00 17.66 ? 604 HOH A H2 1 HETATM 5530 O O . HOH AA 6 . ? 50.894 38.557 10.258 1.00 17.77 ? 605 HOH A O 1 HETATM 5531 H H1 . HOH AA 6 . ? 51.412 38.236 9.471 1.00 17.77 ? 605 HOH A H1 1 HETATM 5532 H H2 . HOH AA 6 . ? 50.521 37.717 10.553 1.00 17.77 ? 605 HOH A H2 1 HETATM 5533 O O . HOH AA 6 . ? 13.188 22.619 14.729 1.00 17.83 ? 606 HOH A O 1 HETATM 5534 H H1 . HOH AA 6 . ? 13.336 21.696 14.490 1.00 17.83 ? 606 HOH A H1 1 HETATM 5535 H H2 . HOH AA 6 . ? 13.768 22.739 15.491 1.00 17.83 ? 606 HOH A H2 1 HETATM 5536 O O . HOH AA 6 . ? 43.771 20.157 29.668 1.00 17.86 ? 607 HOH A O 1 HETATM 5537 H H1 . HOH AA 6 . ? 44.693 20.200 29.394 1.00 17.86 ? 607 HOH A H1 1 HETATM 5538 H H2 . HOH AA 6 . ? 43.799 20.473 30.578 1.00 17.86 ? 607 HOH A H2 1 HETATM 5539 O O . HOH AA 6 . ? 39.375 8.016 11.969 1.00 17.91 ? 608 HOH A O 1 HETATM 5540 H H1 . HOH AA 6 . ? 39.719 8.455 11.166 1.00 17.91 ? 608 HOH A H1 1 HETATM 5541 H H2 . HOH AA 6 . ? 39.190 7.136 11.610 1.00 17.91 ? 608 HOH A H2 1 HETATM 5542 O O . HOH AA 6 . ? 56.238 21.003 4.707 1.00 17.98 ? 609 HOH A O 1 HETATM 5543 H H1 . HOH AA 6 . ? 55.920 21.256 5.587 1.00 17.98 ? 609 HOH A H1 1 HETATM 5544 H H2 . HOH AA 6 . ? 57.187 20.960 4.913 1.00 17.98 ? 609 HOH A H2 1 HETATM 5545 O O . HOH AA 6 . ? 15.285 8.067 15.596 1.00 18.19 ? 610 HOH A O 1 HETATM 5546 H H1 . HOH AA 6 . ? 15.355 7.617 14.751 1.00 18.19 ? 610 HOH A H1 1 HETATM 5547 H H2 . HOH AA 6 . ? 16.223 8.064 15.844 1.00 18.19 ? 610 HOH A H2 1 HETATM 5548 O O . HOH AA 6 . ? 39.549 25.972 26.914 1.00 18.19 ? 611 HOH A O 1 HETATM 5549 H H1 . HOH AA 6 . ? 39.441 25.500 27.742 1.00 18.19 ? 611 HOH A H1 1 HETATM 5550 H H2 . HOH AA 6 . ? 39.259 26.863 27.185 1.00 18.19 ? 611 HOH A H2 1 HETATM 5551 O O . HOH AA 6 . ? 59.743 13.501 25.693 1.00 18.73 ? 612 HOH A O 1 HETATM 5552 H H1 . HOH AA 6 . ? 60.638 13.424 25.329 1.00 18.73 ? 612 HOH A H1 1 HETATM 5553 H H2 . HOH AA 6 . ? 59.923 14.036 26.495 1.00 18.73 ? 612 HOH A H2 1 HETATM 5554 O O . HOH AA 6 . ? 52.626 1.908 17.880 1.00 18.92 ? 613 HOH A O 1 HETATM 5555 H H1 . HOH AA 6 . ? 52.588 2.087 18.829 1.00 18.92 ? 613 HOH A H1 1 HETATM 5556 H H2 . HOH AA 6 . ? 53.564 1.610 17.795 1.00 18.92 ? 613 HOH A H2 1 HETATM 5557 O O . HOH AA 6 . ? 62.050 22.204 25.961 1.00 19.03 ? 614 HOH A O 1 HETATM 5558 H H1 . HOH AA 6 . ? 61.219 22.567 26.290 1.00 19.03 ? 614 HOH A H1 1 HETATM 5559 H H2 . HOH AA 6 . ? 61.755 21.839 25.089 1.00 19.03 ? 614 HOH A H2 1 HETATM 5560 O O . HOH AA 6 . ? 42.099 24.621 23.217 1.00 19.20 ? 615 HOH A O 1 HETATM 5561 H H1 . HOH AA 6 . ? 43.063 24.604 23.347 1.00 19.20 ? 615 HOH A H1 1 HETATM 5562 H H2 . HOH AA 6 . ? 42.064 25.392 22.629 1.00 19.20 ? 615 HOH A H2 1 HETATM 5563 O O . HOH AA 6 . ? 60.112 18.795 29.311 1.00 19.69 ? 616 HOH A O 1 HETATM 5564 H H1 . HOH AA 6 . ? 60.482 17.904 29.259 1.00 19.69 ? 616 HOH A H1 1 HETATM 5565 H H2 . HOH AA 6 . ? 60.776 19.273 28.760 1.00 19.69 ? 616 HOH A H2 1 HETATM 5566 O O . HOH AA 6 . ? 39.201 26.781 33.562 1.00 19.70 ? 617 HOH A O 1 HETATM 5567 H H1 . HOH AA 6 . ? 39.385 26.647 34.514 1.00 19.70 ? 617 HOH A H1 1 HETATM 5568 H H2 . HOH AA 6 . ? 38.245 26.870 33.560 1.00 19.70 ? 617 HOH A H2 1 HETATM 5569 O O . HOH AA 6 . ? 32.195 -6.625 29.867 1.00 19.77 ? 618 HOH A O 1 HETATM 5570 H H1 . HOH AA 6 . ? 31.698 -5.863 30.204 1.00 19.77 ? 618 HOH A H1 1 HETATM 5571 H H2 . HOH AA 6 . ? 31.576 -7.001 29.227 1.00 19.77 ? 618 HOH A H2 1 HETATM 5572 O O . HOH AA 6 . ? 39.473 -4.141 30.897 1.00 20.06 ? 619 HOH A O 1 HETATM 5573 H H1 . HOH AA 6 . ? 38.514 -3.932 31.019 1.00 20.06 ? 619 HOH A H1 1 HETATM 5574 H H2 . HOH AA 6 . ? 39.428 -4.913 30.290 1.00 20.06 ? 619 HOH A H2 1 HETATM 5575 O O . HOH AA 6 . ? 59.442 36.122 14.936 1.00 20.12 ? 620 HOH A O 1 HETATM 5576 H H1 . HOH AA 6 . ? 58.962 35.773 15.696 1.00 20.12 ? 620 HOH A H1 1 HETATM 5577 H H2 . HOH AA 6 . ? 59.810 36.970 15.281 1.00 20.12 ? 620 HOH A H2 1 HETATM 5578 O O . HOH AA 6 . ? 29.365 -2.430 37.551 1.00 20.31 ? 621 HOH A O 1 HETATM 5579 H H1 . HOH AA 6 . ? 29.997 -1.824 38.013 1.00 20.31 ? 621 HOH A H1 1 HETATM 5580 H H2 . HOH AA 6 . ? 28.533 -1.931 37.694 1.00 20.31 ? 621 HOH A H2 1 HETATM 5581 O O . HOH AA 6 . ? 45.435 38.868 24.423 1.00 20.45 ? 622 HOH A O 1 HETATM 5582 H H1 . HOH AA 6 . ? 45.685 38.663 25.333 1.00 20.45 ? 622 HOH A H1 1 HETATM 5583 H H2 . HOH AA 6 . ? 45.093 39.787 24.513 1.00 20.45 ? 622 HOH A H2 1 HETATM 5584 O O . HOH AA 6 . ? 58.402 31.150 27.619 1.00 20.45 ? 623 HOH A O 1 HETATM 5585 H H1 . HOH AA 6 . ? 57.642 30.830 28.121 1.00 20.45 ? 623 HOH A H1 1 HETATM 5586 H H2 . HOH AA 6 . ? 59.081 31.289 28.292 1.00 20.45 ? 623 HOH A H2 1 HETATM 5587 O O . HOH AA 6 . ? 40.779 28.072 31.632 1.00 20.67 ? 624 HOH A O 1 HETATM 5588 H H1 . HOH AA 6 . ? 40.123 27.592 32.186 1.00 20.67 ? 624 HOH A H1 1 HETATM 5589 H H2 . HOH AA 6 . ? 41.591 27.838 32.099 1.00 20.67 ? 624 HOH A H2 1 HETATM 5590 O O . HOH AA 6 . ? 29.208 2.376 37.194 1.00 20.67 ? 625 HOH A O 1 HETATM 5591 H H1 . HOH AA 6 . ? 30.047 1.906 36.994 1.00 20.67 ? 625 HOH A H1 1 HETATM 5592 H H2 . HOH AA 6 . ? 29.085 2.166 38.134 1.00 20.67 ? 625 HOH A H2 1 HETATM 5593 O O . HOH AA 6 . ? 51.328 31.956 26.585 1.00 20.83 ? 626 HOH A O 1 HETATM 5594 H H1 . HOH AA 6 . ? 50.377 32.124 26.657 1.00 20.83 ? 626 HOH A H1 1 HETATM 5595 H H2 . HOH AA 6 . ? 51.332 31.036 26.295 1.00 20.83 ? 626 HOH A H2 1 HETATM 5596 O O . HOH AA 6 . ? 27.784 -3.632 21.801 1.00 20.93 ? 627 HOH A O 1 HETATM 5597 H H1 . HOH AA 6 . ? 26.908 -3.214 21.839 1.00 20.93 ? 627 HOH A H1 1 HETATM 5598 H H2 . HOH AA 6 . ? 27.843 -3.783 20.842 1.00 20.93 ? 627 HOH A H2 1 HETATM 5599 O O . HOH AA 6 . ? 40.897 21.894 26.951 1.00 21.09 ? 628 HOH A O 1 HETATM 5600 H H1 . HOH AA 6 . ? 41.853 22.019 26.730 1.00 21.09 ? 628 HOH A H1 1 HETATM 5601 H H2 . HOH AA 6 . ? 40.609 21.673 26.044 1.00 21.09 ? 628 HOH A H2 1 HETATM 5602 O O . HOH AA 6 . ? 24.299 35.451 10.776 1.00 21.17 ? 629 HOH A O 1 HETATM 5603 H H1 . HOH AA 6 . ? 24.350 36.417 10.704 1.00 21.17 ? 629 HOH A H1 1 HETATM 5604 H H2 . HOH AA 6 . ? 25.146 35.249 11.189 1.00 21.17 ? 629 HOH A H2 1 HETATM 5605 O O . HOH AA 6 . ? 18.955 4.019 21.649 1.00 21.22 ? 630 HOH A O 1 HETATM 5606 H H1 . HOH AA 6 . ? 18.374 4.789 21.699 1.00 21.22 ? 630 HOH A H1 1 HETATM 5607 H H2 . HOH AA 6 . ? 18.312 3.351 21.368 1.00 21.22 ? 630 HOH A H2 1 HETATM 5608 O O . HOH AA 6 . ? 38.869 14.021 35.931 1.00 21.23 ? 631 HOH A O 1 HETATM 5609 H H1 . HOH AA 6 . ? 39.854 14.090 35.963 1.00 21.23 ? 631 HOH A H1 1 HETATM 5610 H H2 . HOH AA 6 . ? 38.767 13.200 35.437 1.00 21.23 ? 631 HOH A H2 1 HETATM 5611 O O . HOH AA 6 . ? 43.656 1.303 9.556 1.00 21.24 ? 632 HOH A O 1 HETATM 5612 H H1 . HOH AA 6 . ? 44.074 1.329 8.676 1.00 21.24 ? 632 HOH A H1 1 HETATM 5613 H H2 . HOH AA 6 . ? 43.277 2.195 9.560 1.00 21.24 ? 632 HOH A H2 1 HETATM 5614 O O . HOH AA 6 . ? 54.102 22.868 31.786 1.00 21.37 ? 633 HOH A O 1 HETATM 5615 H H1 . HOH AA 6 . ? 53.896 22.069 31.294 1.00 21.37 ? 633 HOH A H1 1 HETATM 5616 H H2 . HOH AA 6 . ? 53.244 23.166 32.107 1.00 21.37 ? 633 HOH A H2 1 HETATM 5617 O O . HOH AA 6 . ? 38.618 30.206 -3.036 1.00 21.52 ? 634 HOH A O 1 HETATM 5618 H H1 . HOH AA 6 . ? 38.863 30.611 -2.192 1.00 21.52 ? 634 HOH A H1 1 HETATM 5619 H H2 . HOH AA 6 . ? 39.467 29.912 -3.354 1.00 21.52 ? 634 HOH A H2 1 HETATM 5620 O O . HOH AA 6 . ? 41.469 -2.588 33.972 1.00 21.53 ? 635 HOH A O 1 HETATM 5621 H H1 . HOH AA 6 . ? 41.380 -2.184 34.867 1.00 21.53 ? 635 HOH A H1 1 HETATM 5622 H H2 . HOH AA 6 . ? 40.897 -2.005 33.450 1.00 21.53 ? 635 HOH A H2 1 HETATM 5623 O O . HOH AA 6 . ? 45.835 31.273 -4.204 1.00 21.66 ? 636 HOH A O 1 HETATM 5624 H H1 . HOH AA 6 . ? 45.857 30.482 -4.753 1.00 21.66 ? 636 HOH A H1 1 HETATM 5625 H H2 . HOH AA 6 . ? 45.062 31.752 -4.529 1.00 21.66 ? 636 HOH A H2 1 HETATM 5626 O O . HOH AA 6 . ? 21.080 35.150 21.806 1.00 22.14 ? 637 HOH A O 1 HETATM 5627 H H1 . HOH AA 6 . ? 21.153 34.705 22.680 1.00 22.14 ? 637 HOH A H1 1 HETATM 5628 H H2 . HOH AA 6 . ? 21.923 35.626 21.756 1.00 22.14 ? 637 HOH A H2 1 HETATM 5629 O O . HOH AA 6 . ? 46.757 5.507 31.661 1.00 22.18 ? 638 HOH A O 1 HETATM 5630 H H1 . HOH AA 6 . ? 46.391 4.647 31.928 1.00 22.18 ? 638 HOH A H1 1 HETATM 5631 H H2 . HOH AA 6 . ? 46.655 5.995 32.499 1.00 22.18 ? 638 HOH A H2 1 HETATM 5632 O O . HOH AA 6 . ? 40.544 7.390 14.134 1.00 22.29 ? 639 HOH A O 1 HETATM 5633 H H1 . HOH AA 6 . ? 39.970 6.648 14.394 1.00 22.29 ? 639 HOH A H1 1 HETATM 5634 H H2 . HOH AA 6 . ? 40.012 7.747 13.391 1.00 22.29 ? 639 HOH A H2 1 HETATM 5635 O O . HOH AA 6 . ? 37.019 -3.650 31.441 1.00 22.43 ? 640 HOH A O 1 HETATM 5636 H H1 . HOH AA 6 . ? 36.171 -4.086 31.201 1.00 22.43 ? 640 HOH A H1 1 HETATM 5637 H H2 . HOH AA 6 . ? 36.807 -3.352 32.339 1.00 22.43 ? 640 HOH A H2 1 HETATM 5638 O O . HOH AA 6 . ? 22.920 31.071 34.265 1.00 22.45 ? 641 HOH A O 1 HETATM 5639 H H1 . HOH AA 6 . ? 21.978 30.892 34.101 1.00 22.45 ? 641 HOH A H1 1 HETATM 5640 H H2 . HOH AA 6 . ? 22.886 31.366 35.185 1.00 22.45 ? 641 HOH A H2 1 HETATM 5641 O O . HOH AA 6 . ? 57.550 36.595 13.018 1.00 22.52 ? 642 HOH A O 1 HETATM 5642 H H1 . HOH AA 6 . ? 57.894 35.982 12.371 1.00 22.52 ? 642 HOH A H1 1 HETATM 5643 H H2 . HOH AA 6 . ? 58.253 36.533 13.693 1.00 22.52 ? 642 HOH A H2 1 HETATM 5644 O O . HOH AA 6 . ? 20.535 25.068 38.564 1.00 22.55 ? 643 HOH A O 1 HETATM 5645 H H1 . HOH AA 6 . ? 20.534 24.117 38.732 1.00 22.55 ? 643 HOH A H1 1 HETATM 5646 H H2 . HOH AA 6 . ? 20.936 25.092 37.679 1.00 22.55 ? 643 HOH A H2 1 HETATM 5647 O O . HOH AA 6 . ? 47.823 10.700 5.799 1.00 22.78 ? 644 HOH A O 1 HETATM 5648 H H1 . HOH AA 6 . ? 47.621 9.834 6.170 1.00 22.78 ? 644 HOH A H1 1 HETATM 5649 H H2 . HOH AA 6 . ? 48.532 10.406 5.180 1.00 22.78 ? 644 HOH A H2 1 HETATM 5650 O O . HOH AA 6 . ? 35.168 -3.533 18.559 1.00 22.84 ? 645 HOH A O 1 HETATM 5651 H H1 . HOH AA 6 . ? 35.318 -2.791 19.171 1.00 22.84 ? 645 HOH A H1 1 HETATM 5652 H H2 . HOH AA 6 . ? 36.107 -3.618 18.288 1.00 22.84 ? 645 HOH A H2 1 HETATM 5653 O O . HOH AA 6 . ? 52.348 37.537 8.287 1.00 22.88 ? 646 HOH A O 1 HETATM 5654 H H1 . HOH AA 6 . ? 52.667 36.795 7.762 1.00 22.88 ? 646 HOH A H1 1 HETATM 5655 H H2 . HOH AA 6 . ? 53.116 38.152 8.250 1.00 22.88 ? 646 HOH A H2 1 HETATM 5656 O O . HOH AA 6 . ? 48.782 15.984 34.493 1.00 22.88 ? 647 HOH A O 1 HETATM 5657 H H1 . HOH AA 6 . ? 48.382 16.756 34.057 1.00 22.88 ? 647 HOH A H1 1 HETATM 5658 H H2 . HOH AA 6 . ? 49.175 16.395 35.275 1.00 22.88 ? 647 HOH A H2 1 HETATM 5659 O O . HOH AA 6 . ? 40.225 10.971 41.312 1.00 23.00 ? 648 HOH A O 1 HETATM 5660 H H1 . HOH AA 6 . ? 39.987 11.437 40.507 1.00 23.00 ? 648 HOH A H1 1 HETATM 5661 H H2 . HOH AA 6 . ? 40.982 10.428 41.027 1.00 23.00 ? 648 HOH A H2 1 HETATM 5662 O O . HOH AA 6 . ? 56.527 32.062 3.386 1.00 23.06 ? 649 HOH A O 1 HETATM 5663 H H1 . HOH AA 6 . ? 55.872 32.034 2.655 1.00 23.06 ? 649 HOH A H1 1 HETATM 5664 H H2 . HOH AA 6 . ? 57.176 32.647 2.977 1.00 23.06 ? 649 HOH A H2 1 HETATM 5665 O O . HOH AA 6 . ? 29.039 36.054 34.078 1.00 23.11 ? 650 HOH A O 1 HETATM 5666 H H1 . HOH AA 6 . ? 28.271 36.606 34.293 1.00 23.11 ? 650 HOH A H1 1 HETATM 5667 H H2 . HOH AA 6 . ? 29.040 36.055 33.116 1.00 23.11 ? 650 HOH A H2 1 HETATM 5668 O O . HOH AA 6 . ? 44.203 -2.520 11.853 1.00 23.22 ? 651 HOH A O 1 HETATM 5669 H H1 . HOH AA 6 . ? 44.905 -2.158 11.297 1.00 23.22 ? 651 HOH A H1 1 HETATM 5670 H H2 . HOH AA 6 . ? 43.473 -2.611 11.220 1.00 23.22 ? 651 HOH A H2 1 HETATM 5671 O O . HOH AA 6 . ? 54.976 15.397 32.093 1.00 23.35 ? 652 HOH A O 1 HETATM 5672 H H1 . HOH AA 6 . ? 54.437 15.271 31.287 1.00 23.35 ? 652 HOH A H1 1 HETATM 5673 H H2 . HOH AA 6 . ? 54.800 14.547 32.523 1.00 23.35 ? 652 HOH A H2 1 HETATM 5674 O O . HOH AA 6 . ? 29.929 39.025 8.205 1.00 23.61 ? 653 HOH A O 1 HETATM 5675 H H1 . HOH AA 6 . ? 30.288 38.524 7.436 1.00 23.61 ? 653 HOH A H1 1 HETATM 5676 H H2 . HOH AA 6 . ? 29.308 38.363 8.574 1.00 23.61 ? 653 HOH A H2 1 HETATM 5677 O O . HOH AA 6 . ? 38.652 32.952 31.440 1.00 23.63 ? 654 HOH A O 1 HETATM 5678 H H1 . HOH AA 6 . ? 39.122 33.361 32.185 1.00 23.63 ? 654 HOH A H1 1 HETATM 5679 H H2 . HOH AA 6 . ? 37.728 33.191 31.663 1.00 23.63 ? 654 HOH A H2 1 HETATM 5680 O O . HOH AA 6 . ? 23.691 30.794 30.347 1.00 23.73 ? 655 HOH A O 1 HETATM 5681 H H1 . HOH AA 6 . ? 23.090 31.016 31.081 1.00 23.73 ? 655 HOH A H1 1 HETATM 5682 H H2 . HOH AA 6 . ? 24.293 31.547 30.448 1.00 23.73 ? 655 HOH A H2 1 HETATM 5683 O O . HOH AA 6 . ? 21.889 34.188 10.227 1.00 23.92 ? 656 HOH A O 1 HETATM 5684 H H1 . HOH AA 6 . ? 21.186 34.012 10.889 1.00 23.92 ? 656 HOH A H1 1 HETATM 5685 H H2 . HOH AA 6 . ? 22.607 34.591 10.755 1.00 23.92 ? 656 HOH A H2 1 HETATM 5686 O O . HOH AA 6 . ? 72.985 25.062 14.745 1.00 23.99 ? 657 HOH A O 1 HETATM 5687 H H1 . HOH AA 6 . ? 72.878 24.140 15.036 1.00 23.99 ? 657 HOH A H1 1 HETATM 5688 H H2 . HOH AA 6 . ? 72.469 25.530 15.419 1.00 23.99 ? 657 HOH A H2 1 HETATM 5689 O O . HOH AA 6 . ? 35.809 -6.496 27.383 1.00 24.05 ? 658 HOH A O 1 HETATM 5690 H H1 . HOH AA 6 . ? 35.941 -6.610 28.356 1.00 24.05 ? 658 HOH A H1 1 HETATM 5691 H H2 . HOH AA 6 . ? 36.727 -6.718 27.087 1.00 24.05 ? 658 HOH A H2 1 HETATM 5692 O O . HOH AA 6 . ? 51.120 -0.287 17.327 1.00 24.14 ? 659 HOH A O 1 HETATM 5693 H H1 . HOH AA 6 . ? 50.228 -0.046 17.607 1.00 24.14 ? 659 HOH A H1 1 HETATM 5694 H H2 . HOH AA 6 . ? 51.607 0.563 17.386 1.00 24.14 ? 659 HOH A H2 1 HETATM 5695 O O . HOH AA 6 . ? 48.831 36.061 4.768 1.00 24.22 ? 660 HOH A O 1 HETATM 5696 H H1 . HOH AA 6 . ? 49.159 35.171 4.591 1.00 24.22 ? 660 HOH A H1 1 HETATM 5697 H H2 . HOH AA 6 . ? 49.017 36.498 3.914 1.00 24.22 ? 660 HOH A H2 1 HETATM 5698 O O . HOH AA 6 . ? 57.739 11.296 26.085 1.00 24.34 ? 661 HOH A O 1 HETATM 5699 H H1 . HOH AA 6 . ? 57.515 11.129 27.024 1.00 24.34 ? 661 HOH A H1 1 HETATM 5700 H H2 . HOH AA 6 . ? 58.439 11.970 26.161 1.00 24.34 ? 661 HOH A H2 1 HETATM 5701 O O . HOH AA 6 . ? 35.794 4.940 43.783 1.00 24.40 ? 662 HOH A O 1 HETATM 5702 H H1 . HOH AA 6 . ? 36.045 4.503 42.957 1.00 24.40 ? 662 HOH A H1 1 HETATM 5703 H H2 . HOH AA 6 . ? 36.309 5.757 43.745 1.00 24.40 ? 662 HOH A H2 1 HETATM 5704 O O . HOH AA 6 . ? 24.536 4.833 37.728 1.00 24.66 ? 663 HOH A O 1 HETATM 5705 H H1 . HOH AA 6 . ? 23.710 5.324 37.589 1.00 24.66 ? 663 HOH A H1 1 HETATM 5706 H H2 . HOH AA 6 . ? 25.059 5.505 38.211 1.00 24.66 ? 663 HOH A H2 1 HETATM 5707 O O . HOH AA 6 . ? 19.796 31.123 6.855 1.00 24.81 ? 664 HOH A O 1 HETATM 5708 H H1 . HOH AA 6 . ? 19.338 30.479 6.300 1.00 24.81 ? 664 HOH A H1 1 HETATM 5709 H H2 . HOH AA 6 . ? 19.248 31.090 7.659 1.00 24.81 ? 664 HOH A H2 1 HETATM 5710 O O . HOH AA 6 . ? 54.375 -3.164 19.521 1.00 24.94 ? 665 HOH A O 1 HETATM 5711 H H1 . HOH AA 6 . ? 54.555 -3.414 18.609 1.00 24.94 ? 665 HOH A H1 1 HETATM 5712 H H2 . HOH AA 6 . ? 54.975 -2.421 19.663 1.00 24.94 ? 665 HOH A H2 1 HETATM 5713 O O . HOH AA 6 . ? 16.501 32.644 14.161 1.00 25.04 ? 666 HOH A O 1 HETATM 5714 H H1 . HOH AA 6 . ? 16.741 32.043 13.442 1.00 25.04 ? 666 HOH A H1 1 HETATM 5715 H H2 . HOH AA 6 . ? 15.793 33.187 13.828 1.00 25.04 ? 666 HOH A H2 1 HETATM 5716 O O . HOH AA 6 . ? 46.746 37.923 5.144 1.00 25.21 ? 667 HOH A O 1 HETATM 5717 H H1 . HOH AA 6 . ? 47.153 38.731 5.526 1.00 25.21 ? 667 HOH A H1 1 HETATM 5718 H H2 . HOH AA 6 . ? 47.536 37.390 4.937 1.00 25.21 ? 667 HOH A H2 1 HETATM 5719 O O . HOH AA 6 . ? 38.115 7.580 2.630 1.00 25.29 ? 668 HOH A O 1 HETATM 5720 H H1 . HOH AA 6 . ? 38.793 6.878 2.606 1.00 25.29 ? 668 HOH A H1 1 HETATM 5721 H H2 . HOH AA 6 . ? 38.514 8.264 2.058 1.00 25.29 ? 668 HOH A H2 1 HETATM 5722 O O . HOH AA 6 . ? 29.286 -5.184 30.588 1.00 25.37 ? 669 HOH A O 1 HETATM 5723 H H1 . HOH AA 6 . ? 29.790 -4.391 30.866 1.00 25.37 ? 669 HOH A H1 1 HETATM 5724 H H2 . HOH AA 6 . ? 28.837 -5.389 31.423 1.00 25.37 ? 669 HOH A H2 1 HETATM 5725 O O . HOH AA 6 . ? 54.821 36.961 11.749 1.00 25.42 ? 670 HOH A O 1 HETATM 5726 H H1 . HOH AA 6 . ? 55.647 36.869 12.259 1.00 25.42 ? 670 HOH A H1 1 HETATM 5727 H H2 . HOH AA 6 . ? 54.655 37.912 11.807 1.00 25.42 ? 670 HOH A H2 1 HETATM 5728 O O . HOH AA 6 . ? 30.049 1.325 40.315 1.00 25.52 ? 671 HOH A O 1 HETATM 5729 H H1 . HOH AA 6 . ? 30.586 0.616 39.913 1.00 25.52 ? 671 HOH A H1 1 HETATM 5730 H H2 . HOH AA 6 . ? 30.656 2.076 40.333 1.00 25.52 ? 671 HOH A H2 1 HETATM 5731 O O . HOH AA 6 . ? 22.218 30.855 4.522 1.00 25.77 ? 672 HOH A O 1 HETATM 5732 H H1 . HOH AA 6 . ? 21.350 30.882 4.074 1.00 25.77 ? 672 HOH A H1 1 HETATM 5733 H H2 . HOH AA 6 . ? 22.753 30.459 3.817 1.00 25.77 ? 672 HOH A H2 1 HETATM 5734 O O . HOH AA 6 . ? 14.990 7.081 18.900 1.00 25.80 ? 673 HOH A O 1 HETATM 5735 H H1 . HOH AA 6 . ? 14.579 7.348 19.741 1.00 25.80 ? 673 HOH A H1 1 HETATM 5736 H H2 . HOH AA 6 . ? 14.550 7.660 18.259 1.00 25.80 ? 673 HOH A H2 1 HETATM 5737 O O . HOH AA 6 . ? 40.565 -4.682 17.763 1.00 26.02 ? 674 HOH A O 1 HETATM 5738 H H1 . HOH AA 6 . ? 40.810 -5.536 17.355 1.00 26.02 ? 674 HOH A H1 1 HETATM 5739 H H2 . HOH AA 6 . ? 41.367 -4.166 17.636 1.00 26.02 ? 674 HOH A H2 1 HETATM 5740 O O . HOH AA 6 . ? 19.269 2.631 14.253 1.00 26.07 ? 675 HOH A O 1 HETATM 5741 H H1 . HOH AA 6 . ? 18.490 3.066 14.638 1.00 26.07 ? 675 HOH A H1 1 HETATM 5742 H H2 . HOH AA 6 . ? 19.837 3.379 14.041 1.00 26.07 ? 675 HOH A H2 1 HETATM 5743 O O . HOH AA 6 . ? 37.878 0.559 6.800 1.00 26.13 ? 676 HOH A O 1 HETATM 5744 H H1 . HOH AA 6 . ? 36.963 0.789 6.535 1.00 26.13 ? 676 HOH A H1 1 HETATM 5745 H H2 . HOH AA 6 . ? 38.369 1.261 6.307 1.00 26.13 ? 676 HOH A H2 1 HETATM 5746 O O . HOH AA 6 . ? 71.161 37.024 29.491 1.00 26.32 ? 677 HOH A O 1 HETATM 5747 H H1 . HOH AA 6 . ? 71.547 36.730 28.655 1.00 26.32 ? 677 HOH A H1 1 HETATM 5748 H H2 . HOH AA 6 . ? 71.326 36.259 30.068 1.00 26.32 ? 677 HOH A H2 1 HETATM 5749 O O . HOH AA 6 . ? 23.402 39.403 12.837 1.00 26.36 ? 678 HOH A O 1 HETATM 5750 H H1 . HOH AA 6 . ? 23.934 38.768 12.333 1.00 26.36 ? 678 HOH A H1 1 HETATM 5751 H H2 . HOH AA 6 . ? 24.099 39.949 13.206 1.00 26.36 ? 678 HOH A H2 1 HETATM 5752 O O . HOH AA 6 . ? 64.836 26.147 9.463 1.00 26.43 ? 679 HOH A O 1 HETATM 5753 H H1 . HOH AA 6 . ? 65.270 25.311 9.256 1.00 26.43 ? 679 HOH A H1 1 HETATM 5754 H H2 . HOH AA 6 . ? 64.228 25.891 10.162 1.00 26.43 ? 679 HOH A H2 1 HETATM 5755 O O . HOH AA 6 . ? 55.909 0.403 22.280 1.00 26.46 ? 680 HOH A O 1 HETATM 5756 H H1 . HOH AA 6 . ? 56.512 -0.347 22.232 1.00 26.46 ? 680 HOH A H1 1 HETATM 5757 H H2 . HOH AA 6 . ? 55.427 0.209 23.097 1.00 26.46 ? 680 HOH A H2 1 HETATM 5758 O O . HOH AA 6 . ? 58.926 22.165 6.468 1.00 26.77 ? 681 HOH A O 1 HETATM 5759 H H1 . HOH AA 6 . ? 59.086 23.098 6.611 1.00 26.77 ? 681 HOH A H1 1 HETATM 5760 H H2 . HOH AA 6 . ? 59.453 21.789 7.190 1.00 26.77 ? 681 HOH A H2 1 HETATM 5761 O O . HOH AA 6 . ? 33.669 -3.470 16.100 1.00 26.78 ? 682 HOH A O 1 HETATM 5762 H H1 . HOH AA 6 . ? 33.924 -4.262 15.601 1.00 26.78 ? 682 HOH A H1 1 HETATM 5763 H H2 . HOH AA 6 . ? 34.154 -3.580 16.943 1.00 26.78 ? 682 HOH A H2 1 HETATM 5764 O O . HOH AA 6 . ? 35.998 33.695 32.209 1.00 26.88 ? 683 HOH A O 1 HETATM 5765 H H1 . HOH AA 6 . ? 35.227 33.332 32.654 1.00 26.88 ? 683 HOH A H1 1 HETATM 5766 H H2 . HOH AA 6 . ? 35.606 34.136 31.436 1.00 26.88 ? 683 HOH A H2 1 HETATM 5767 O O . HOH AA 6 . ? 53.652 39.890 15.040 1.00 27.10 ? 684 HOH A O 1 HETATM 5768 H H1 . HOH AA 6 . ? 52.842 40.414 15.219 1.00 27.10 ? 684 HOH A H1 1 HETATM 5769 H H2 . HOH AA 6 . ? 53.520 39.079 15.540 1.00 27.10 ? 684 HOH A H2 1 HETATM 5770 O O . HOH AA 6 . ? 61.393 16.553 25.454 1.00 27.20 ? 685 HOH A O 1 HETATM 5771 H H1 . HOH AA 6 . ? 61.749 17.430 25.197 1.00 27.20 ? 685 HOH A H1 1 HETATM 5772 H H2 . HOH AA 6 . ? 60.447 16.722 25.509 1.00 27.20 ? 685 HOH A H2 1 HETATM 5773 O O . HOH AA 6 . ? 25.807 1.548 38.822 1.00 27.26 ? 686 HOH A O 1 HETATM 5774 H H1 . HOH AA 6 . ? 25.534 2.264 39.447 1.00 27.26 ? 686 HOH A H1 1 HETATM 5775 H H2 . HOH AA 6 . ? 25.107 1.643 38.151 1.00 27.26 ? 686 HOH A H2 1 HETATM 5776 O O . HOH AA 6 . ? 39.649 2.403 5.565 1.00 27.40 ? 687 HOH A O 1 HETATM 5777 H H1 . HOH AA 6 . ? 39.353 3.281 5.277 1.00 27.40 ? 687 HOH A H1 1 HETATM 5778 H H2 . HOH AA 6 . ? 40.607 2.527 5.575 1.00 27.40 ? 687 HOH A H2 1 HETATM 5779 O O . HOH AA 6 . ? 52.423 22.294 -0.028 1.00 27.45 ? 688 HOH A O 1 HETATM 5780 H H1 . HOH AA 6 . ? 53.044 23.032 -0.026 1.00 27.45 ? 688 HOH A H1 1 HETATM 5781 H H2 . HOH AA 6 . ? 51.652 22.705 0.390 1.00 27.45 ? 688 HOH A H2 1 HETATM 5782 O O . HOH AA 6 . ? 30.802 30.409 0.129 1.00 27.49 ? 689 HOH A O 1 HETATM 5783 H H1 . HOH AA 6 . ? 30.642 31.379 0.093 1.00 27.49 ? 689 HOH A H1 1 HETATM 5784 H H2 . HOH AA 6 . ? 31.319 30.308 -0.703 1.00 27.49 ? 689 HOH A H2 1 HETATM 5785 O O . HOH AA 6 . ? 60.964 21.578 8.640 1.00 27.67 ? 690 HOH A O 1 HETATM 5786 H H1 . HOH AA 6 . ? 61.048 20.704 8.237 1.00 27.67 ? 690 HOH A H1 1 HETATM 5787 H H2 . HOH AA 6 . ? 60.947 21.355 9.589 1.00 27.67 ? 690 HOH A H2 1 HETATM 5788 O O . HOH AA 6 . ? 44.850 29.763 34.238 1.00 27.77 ? 691 HOH A O 1 HETATM 5789 H H1 . HOH AA 6 . ? 45.169 29.353 35.057 1.00 27.77 ? 691 HOH A H1 1 HETATM 5790 H H2 . HOH AA 6 . ? 43.912 29.923 34.482 1.00 27.77 ? 691 HOH A H2 1 HETATM 5791 O O . HOH AA 6 . ? 27.374 0.687 14.522 1.00 28.05 ? 692 HOH A O 1 HETATM 5792 H H1 . HOH AA 6 . ? 27.102 0.095 13.788 1.00 28.05 ? 692 HOH A H1 1 HETATM 5793 H H2 . HOH AA 6 . ? 26.530 1.050 14.823 1.00 28.05 ? 692 HOH A H2 1 HETATM 5794 O O . HOH AA 6 . ? 57.563 6.903 21.519 1.00 28.20 ? 693 HOH A O 1 HETATM 5795 H H1 . HOH AA 6 . ? 56.621 7.090 21.609 1.00 28.20 ? 693 HOH A H1 1 HETATM 5796 H H2 . HOH AA 6 . ? 57.697 6.226 22.205 1.00 28.20 ? 693 HOH A H2 1 HETATM 5797 O O . HOH AA 6 . ? 25.434 6.967 39.582 1.00 28.43 ? 694 HOH A O 1 HETATM 5798 H H1 . HOH AA 6 . ? 24.491 7.211 39.537 1.00 28.43 ? 694 HOH A H1 1 HETATM 5799 H H2 . HOH AA 6 . ? 25.851 7.810 39.326 1.00 28.43 ? 694 HOH A H2 1 HETATM 5800 O O . HOH AA 6 . ? 20.664 8.577 37.001 1.00 28.57 ? 695 HOH A O 1 HETATM 5801 H H1 . HOH AA 6 . ? 20.296 8.195 37.812 1.00 28.57 ? 695 HOH A H1 1 HETATM 5802 H H2 . HOH AA 6 . ? 21.133 9.375 37.278 1.00 28.57 ? 695 HOH A H2 1 HETATM 5803 O O . HOH AA 6 . ? 32.681 -4.804 19.894 1.00 28.70 ? 696 HOH A O 1 HETATM 5804 H H1 . HOH AA 6 . ? 33.398 -4.365 19.408 1.00 28.70 ? 696 HOH A H1 1 HETATM 5805 H H2 . HOH AA 6 . ? 33.051 -4.933 20.773 1.00 28.70 ? 696 HOH A H2 1 HETATM 5806 O O . HOH AA 6 . ? 38.680 24.270 24.917 1.00 28.93 ? 697 HOH A O 1 HETATM 5807 H H1 . HOH AA 6 . ? 38.100 25.040 24.996 1.00 28.93 ? 697 HOH A H1 1 HETATM 5808 H H2 . HOH AA 6 . ? 39.415 24.573 25.480 1.00 28.93 ? 697 HOH A H2 1 HETATM 5809 O O . HOH AA 6 . ? 45.179 25.135 -3.057 1.00 29.18 ? 698 HOH A O 1 HETATM 5810 H H1 . HOH AA 6 . ? 45.865 24.714 -3.595 1.00 29.18 ? 698 HOH A H1 1 HETATM 5811 H H2 . HOH AA 6 . ? 45.140 24.568 -2.264 1.00 29.18 ? 698 HOH A H2 1 HETATM 5812 O O . HOH AA 6 . ? 15.923 5.132 35.055 1.00 29.23 ? 699 HOH A O 1 HETATM 5813 H H1 . HOH AA 6 . ? 15.445 5.914 34.728 1.00 29.23 ? 699 HOH A H1 1 HETATM 5814 H H2 . HOH AA 6 . ? 15.929 4.563 34.270 1.00 29.23 ? 699 HOH A H2 1 HETATM 5815 O O . HOH AA 6 . ? 46.606 -2.503 29.071 1.00 29.30 ? 700 HOH A O 1 HETATM 5816 H H1 . HOH AA 6 . ? 45.763 -2.174 28.734 1.00 29.30 ? 700 HOH A H1 1 HETATM 5817 H H2 . HOH AA 6 . ? 46.308 -3.036 29.830 1.00 29.30 ? 700 HOH A H2 1 HETATM 5818 O O . HOH AA 6 . ? 61.936 35.898 13.810 1.00 29.38 ? 701 HOH A O 1 HETATM 5819 H H1 . HOH AA 6 . ? 62.342 35.087 14.126 1.00 29.38 ? 701 HOH A H1 1 HETATM 5820 H H2 . HOH AA 6 . ? 61.001 35.808 14.090 1.00 29.38 ? 701 HOH A H2 1 HETATM 5821 O O . HOH AA 6 . ? 31.072 0.664 15.247 1.00 29.50 ? 702 HOH A O 1 HETATM 5822 H H1 . HOH AA 6 . ? 30.295 0.161 15.532 1.00 29.50 ? 702 HOH A H1 1 HETATM 5823 H H2 . HOH AA 6 . ? 31.655 -0.083 14.972 1.00 29.50 ? 702 HOH A H2 1 HETATM 5824 O O . HOH AA 6 . ? 34.445 35.172 29.840 1.00 29.56 ? 703 HOH A O 1 HETATM 5825 H H1 . HOH AA 6 . ? 34.510 36.116 30.063 1.00 29.56 ? 703 HOH A H1 1 HETATM 5826 H H2 . HOH AA 6 . ? 33.486 35.059 29.886 1.00 29.56 ? 703 HOH A H2 1 HETATM 5827 O O . HOH AA 6 . ? 40.571 -5.129 33.298 1.00 29.59 ? 704 HOH A O 1 HETATM 5828 H H1 . HOH AA 6 . ? 40.174 -4.811 32.460 1.00 29.59 ? 704 HOH A H1 1 HETATM 5829 H H2 . HOH AA 6 . ? 41.094 -4.336 33.529 1.00 29.59 ? 704 HOH A H2 1 HETATM 5830 O O . HOH AA 6 . ? 43.217 5.387 32.851 1.00 29.59 ? 705 HOH A O 1 HETATM 5831 H H1 . HOH AA 6 . ? 42.683 5.286 32.058 1.00 29.59 ? 705 HOH A H1 1 HETATM 5832 H H2 . HOH AA 6 . ? 42.717 4.877 33.510 1.00 29.59 ? 705 HOH A H2 1 HETATM 5833 O O . HOH AA 6 . ? 17.089 26.562 33.108 1.00 29.74 ? 706 HOH A O 1 HETATM 5834 H H1 . HOH AA 6 . ? 17.209 27.518 33.259 1.00 29.74 ? 706 HOH A H1 1 HETATM 5835 H H2 . HOH AA 6 . ? 16.163 26.474 33.415 1.00 29.74 ? 706 HOH A H2 1 HETATM 5836 O O . HOH AA 6 . ? 23.465 13.620 2.827 1.00 29.76 ? 707 HOH A O 1 HETATM 5837 H H1 . HOH AA 6 . ? 23.981 14.387 2.519 1.00 29.76 ? 707 HOH A H1 1 HETATM 5838 H H2 . HOH AA 6 . ? 24.181 13.059 3.155 1.00 29.76 ? 707 HOH A H2 1 HETATM 5839 O O . HOH AA 6 . ? 28.237 -0.096 21.397 1.00 29.91 ? 708 HOH A O 1 HETATM 5840 H H1 . HOH AA 6 . ? 28.891 -0.513 20.816 1.00 29.91 ? 708 HOH A H1 1 HETATM 5841 H H2 . HOH AA 6 . ? 27.574 -0.800 21.440 1.00 29.91 ? 708 HOH A H2 1 HETATM 5842 O O . HOH AA 6 . ? 25.572 21.882 2.427 1.00 29.99 ? 709 HOH A O 1 HETATM 5843 H H1 . HOH AA 6 . ? 26.540 21.978 2.302 1.00 29.99 ? 709 HOH A H1 1 HETATM 5844 H H2 . HOH AA 6 . ? 25.308 22.212 1.543 1.00 29.99 ? 709 HOH A H2 1 HETATM 5845 O O . HOH AA 6 . ? 45.705 3.015 32.732 1.00 30.02 ? 710 HOH A O 1 HETATM 5846 H H1 . HOH AA 6 . ? 45.370 2.153 32.438 1.00 30.02 ? 710 HOH A H1 1 HETATM 5847 H H2 . HOH AA 6 . ? 44.894 3.482 32.981 1.00 30.02 ? 710 HOH A H2 1 HETATM 5848 O O . HOH AA 6 . ? 62.765 17.111 12.365 1.00 30.04 ? 711 HOH A O 1 HETATM 5849 H H1 . HOH AA 6 . ? 62.971 17.854 12.948 1.00 30.04 ? 711 HOH A H1 1 HETATM 5850 H H2 . HOH AA 6 . ? 62.150 17.513 11.719 1.00 30.04 ? 711 HOH A H2 1 HETATM 5851 O O . HOH AA 6 . ? 14.558 12.319 11.601 1.00 30.08 ? 712 HOH A O 1 HETATM 5852 H H1 . HOH AA 6 . ? 15.491 12.406 11.355 1.00 30.08 ? 712 HOH A H1 1 HETATM 5853 H H2 . HOH AA 6 . ? 14.554 11.595 12.234 1.00 30.08 ? 712 HOH A H2 1 HETATM 5854 O O . HOH AA 6 . ? 37.170 43.064 13.223 1.00 30.16 ? 713 HOH A O 1 HETATM 5855 H H1 . HOH AA 6 . ? 36.485 42.567 12.763 1.00 30.16 ? 713 HOH A H1 1 HETATM 5856 H H2 . HOH AA 6 . ? 37.728 43.358 12.472 1.00 30.16 ? 713 HOH A H2 1 HETATM 5857 O O . HOH AA 6 . ? 23.855 36.305 23.041 1.00 30.20 ? 714 HOH A O 1 HETATM 5858 H H1 . HOH AA 6 . ? 24.068 35.913 22.186 1.00 30.20 ? 714 HOH A H1 1 HETATM 5859 H H2 . HOH AA 6 . ? 23.598 35.558 23.591 1.00 30.20 ? 714 HOH A H2 1 HETATM 5860 O O . HOH AA 6 . ? 42.105 39.851 26.038 1.00 30.34 ? 715 HOH A O 1 HETATM 5861 H H1 . HOH AA 6 . ? 41.581 39.169 25.588 1.00 30.34 ? 715 HOH A H1 1 HETATM 5862 H H2 . HOH AA 6 . ? 41.686 39.866 26.905 1.00 30.34 ? 715 HOH A H2 1 HETATM 5863 O O . HOH AA 6 . ? 43.485 8.394 35.360 1.00 30.47 ? 716 HOH A O 1 HETATM 5864 H H1 . HOH AA 6 . ? 43.986 9.175 35.665 1.00 30.47 ? 716 HOH A H1 1 HETATM 5865 H H2 . HOH AA 6 . ? 42.941 8.805 34.678 1.00 30.47 ? 716 HOH A H2 1 HETATM 5866 O O . HOH AA 6 . ? 30.622 -4.289 15.353 1.00 30.63 ? 717 HOH A O 1 HETATM 5867 H H1 . HOH AA 6 . ? 31.372 -4.810 15.673 1.00 30.63 ? 717 HOH A H1 1 HETATM 5868 H H2 . HOH AA 6 . ? 30.339 -3.818 16.157 1.00 30.63 ? 717 HOH A H2 1 HETATM 5869 O O . HOH AA 6 . ? 64.385 37.427 18.882 1.00 30.75 ? 718 HOH A O 1 HETATM 5870 H H1 . HOH AA 6 . ? 64.883 37.418 18.056 1.00 30.75 ? 718 HOH A H1 1 HETATM 5871 H H2 . HOH AA 6 . ? 64.478 36.526 19.184 1.00 30.75 ? 718 HOH A H2 1 HETATM 5872 O O . HOH AA 6 . ? 60.711 31.080 34.025 1.00 30.83 ? 719 HOH A O 1 HETATM 5873 H H1 . HOH AA 6 . ? 60.176 31.872 33.882 1.00 30.83 ? 719 HOH A H1 1 HETATM 5874 H H2 . HOH AA 6 . ? 60.019 30.406 34.112 1.00 30.83 ? 719 HOH A H2 1 HETATM 5875 O O . HOH AA 6 . ? 14.552 12.922 19.521 1.00 30.91 ? 720 HOH A O 1 HETATM 5876 H H1 . HOH AA 6 . ? 13.941 13.666 19.353 1.00 30.91 ? 720 HOH A H1 1 HETATM 5877 H H2 . HOH AA 6 . ? 15.418 13.322 19.352 1.00 30.91 ? 720 HOH A H2 1 HETATM 5878 O O . HOH AA 6 . ? 40.643 28.345 28.730 1.00 31.77 ? 721 HOH A O 1 HETATM 5879 H H1 . HOH AA 6 . ? 39.756 28.587 28.406 1.00 31.77 ? 721 HOH A H1 1 HETATM 5880 H H2 . HOH AA 6 . ? 40.519 28.375 29.700 1.00 31.77 ? 721 HOH A H2 1 HETATM 5881 O O . HOH AA 6 . ? 52.475 31.939 -1.776 1.00 31.79 ? 722 HOH A O 1 HETATM 5882 H H1 . HOH AA 6 . ? 51.654 32.433 -1.812 1.00 31.79 ? 722 HOH A H1 1 HETATM 5883 H H2 . HOH AA 6 . ? 52.992 32.398 -2.450 1.00 31.79 ? 722 HOH A H2 1 HETATM 5884 O O . HOH AA 6 . ? 54.784 2.227 20.709 1.00 31.84 ? 723 HOH A O 1 HETATM 5885 H H1 . HOH AA 6 . ? 55.344 1.651 21.287 1.00 31.84 ? 723 HOH A H1 1 HETATM 5886 H H2 . HOH AA 6 . ? 53.918 1.880 20.945 1.00 31.84 ? 723 HOH A H2 1 HETATM 5887 O O . HOH AA 6 . ? 37.133 39.318 5.003 1.00 32.11 ? 724 HOH A O 1 HETATM 5888 H H1 . HOH AA 6 . ? 37.259 38.625 5.680 1.00 32.11 ? 724 HOH A H1 1 HETATM 5889 H H2 . HOH AA 6 . ? 37.422 40.086 5.500 1.00 32.11 ? 724 HOH A H2 1 HETATM 5890 O O . HOH AA 6 . ? 30.120 -1.471 35.097 1.00 32.18 ? 725 HOH A O 1 HETATM 5891 H H1 . HOH AA 6 . ? 29.849 -1.827 35.960 1.00 32.18 ? 725 HOH A H1 1 HETATM 5892 H H2 . HOH AA 6 . ? 30.007 -2.245 34.529 1.00 32.18 ? 725 HOH A H2 1 HETATM 5893 O O . HOH AA 6 . ? 47.657 -7.516 18.607 1.00 32.21 ? 726 HOH A O 1 HETATM 5894 H H1 . HOH AA 6 . ? 47.063 -8.098 19.128 1.00 32.21 ? 726 HOH A H1 1 HETATM 5895 H H2 . HOH AA 6 . ? 47.637 -7.953 17.737 1.00 32.21 ? 726 HOH A H2 1 HETATM 5896 O O . HOH AA 6 . ? 19.585 33.285 11.509 1.00 32.25 ? 727 HOH A O 1 HETATM 5897 H H1 . HOH AA 6 . ? 19.393 32.586 10.859 1.00 32.25 ? 727 HOH A H1 1 HETATM 5898 H H2 . HOH AA 6 . ? 19.609 32.753 12.319 1.00 32.25 ? 727 HOH A H2 1 HETATM 5899 O O . HOH AA 6 . ? 59.941 32.892 30.507 1.00 32.28 ? 728 HOH A O 1 HETATM 5900 H H1 . HOH AA 6 . ? 59.068 33.119 30.845 1.00 32.28 ? 728 HOH A H1 1 HETATM 5901 H H2 . HOH AA 6 . ? 59.995 31.945 30.649 1.00 32.28 ? 728 HOH A H2 1 HETATM 5902 O O . HOH AA 6 . ? 32.260 -7.646 23.893 1.00 32.32 ? 729 HOH A O 1 HETATM 5903 H H1 . HOH AA 6 . ? 32.621 -7.403 23.032 1.00 32.32 ? 729 HOH A H1 1 HETATM 5904 H H2 . HOH AA 6 . ? 31.349 -7.290 23.872 1.00 32.32 ? 729 HOH A H2 1 HETATM 5905 O O . HOH AA 6 . ? 70.752 35.993 21.717 1.00 32.52 ? 730 HOH A O 1 HETATM 5906 H H1 . HOH AA 6 . ? 71.501 36.472 22.089 1.00 32.52 ? 730 HOH A H1 1 HETATM 5907 H H2 . HOH AA 6 . ? 70.825 35.180 22.239 1.00 32.52 ? 730 HOH A H2 1 HETATM 5908 O O . HOH AA 6 . ? 17.256 29.742 30.870 1.00 32.55 ? 731 HOH A O 1 HETATM 5909 H H1 . HOH AA 6 . ? 17.435 30.659 30.613 1.00 32.55 ? 731 HOH A H1 1 HETATM 5910 H H2 . HOH AA 6 . ? 17.313 29.333 29.985 1.00 32.55 ? 731 HOH A H2 1 HETATM 5911 O O . HOH AA 6 . ? 17.134 29.164 27.796 1.00 32.58 ? 732 HOH A O 1 HETATM 5912 H H1 . HOH AA 6 . ? 17.819 29.587 27.251 1.00 32.58 ? 732 HOH A H1 1 HETATM 5913 H H2 . HOH AA 6 . ? 16.349 29.297 27.237 1.00 32.58 ? 732 HOH A H2 1 HETATM 5914 O O . HOH AA 6 . ? 54.804 32.364 1.286 1.00 32.74 ? 733 HOH A O 1 HETATM 5915 H H1 . HOH AA 6 . ? 54.604 33.299 1.173 1.00 32.74 ? 733 HOH A H1 1 HETATM 5916 H H2 . HOH AA 6 . ? 54.008 31.969 0.886 1.00 32.74 ? 733 HOH A H2 1 HETATM 5917 O O . HOH AA 6 . ? 57.350 5.529 27.934 1.00 32.93 ? 734 HOH A O 1 HETATM 5918 H H1 . HOH AA 6 . ? 58.117 5.839 27.444 1.00 32.93 ? 734 HOH A H1 1 HETATM 5919 H H2 . HOH AA 6 . ? 57.736 4.838 28.502 1.00 32.93 ? 734 HOH A H2 1 HETATM 5920 O O . HOH AA 6 . ? 16.367 22.557 28.978 1.00 32.94 ? 735 HOH A O 1 HETATM 5921 H H1 . HOH AA 6 . ? 15.423 22.751 29.176 1.00 32.94 ? 735 HOH A H1 1 HETATM 5922 H H2 . HOH AA 6 . ? 16.235 21.635 28.697 1.00 32.94 ? 735 HOH A H2 1 HETATM 5923 O O . HOH AA 6 . ? 27.421 25.385 -1.168 1.00 33.06 ? 736 HOH A O 1 HETATM 5924 H H1 . HOH AA 6 . ? 28.340 25.556 -0.930 1.00 33.06 ? 736 HOH A H1 1 HETATM 5925 H H2 . HOH AA 6 . ? 27.385 25.890 -2.001 1.00 33.06 ? 736 HOH A H2 1 HETATM 5926 O O . HOH AA 6 . ? 18.075 21.775 31.611 1.00 33.31 ? 737 HOH A O 1 HETATM 5927 H H1 . HOH AA 6 . ? 17.645 22.095 30.803 1.00 33.31 ? 737 HOH A H1 1 HETATM 5928 H H2 . HOH AA 6 . ? 17.385 21.176 31.957 1.00 33.31 ? 737 HOH A H2 1 HETATM 5929 O O . HOH AA 6 . ? 30.944 33.504 5.070 1.00 33.32 ? 738 HOH A O 1 HETATM 5930 H H1 . HOH AA 6 . ? 30.861 33.446 4.101 1.00 33.32 ? 738 HOH A H1 1 HETATM 5931 H H2 . HOH AA 6 . ? 30.487 32.686 5.318 1.00 33.32 ? 738 HOH A H2 1 HETATM 5932 O O . HOH AA 6 . ? 62.658 27.479 6.860 1.00 33.86 ? 739 HOH A O 1 HETATM 5933 H H1 . HOH AA 6 . ? 62.506 27.988 6.052 1.00 33.86 ? 739 HOH A H1 1 HETATM 5934 H H2 . HOH AA 6 . ? 63.428 27.979 7.196 1.00 33.86 ? 739 HOH A H2 1 HETATM 5935 O O . HOH AA 6 . ? 39.841 20.365 38.146 1.00 33.87 ? 740 HOH A O 1 HETATM 5936 H H1 . HOH AA 6 . ? 40.213 19.763 37.463 1.00 33.87 ? 740 HOH A H1 1 HETATM 5937 H H2 . HOH AA 6 . ? 40.343 20.030 38.899 1.00 33.87 ? 740 HOH A H2 1 HETATM 5938 O O . HOH AA 6 . ? 41.354 -10.522 28.521 1.00 34.13 ? 741 HOH A O 1 HETATM 5939 H H1 . HOH AA 6 . ? 41.406 -10.451 29.491 1.00 34.13 ? 741 HOH A H1 1 HETATM 5940 H H2 . HOH AA 6 . ? 41.130 -11.458 28.411 1.00 34.13 ? 741 HOH A H2 1 HETATM 5941 O O . HOH AA 6 . ? 41.678 36.092 28.687 1.00 34.34 ? 742 HOH A O 1 HETATM 5942 H H1 . HOH AA 6 . ? 40.814 36.175 28.253 1.00 34.34 ? 742 HOH A H1 1 HETATM 5943 H H2 . HOH AA 6 . ? 41.435 35.899 29.597 1.00 34.34 ? 742 HOH A H2 1 HETATM 5944 O O . HOH AA 6 . ? 68.277 37.563 32.310 1.00 34.80 ? 743 HOH A O 1 HETATM 5945 H H1 . HOH AA 6 . ? 67.399 37.235 32.078 1.00 34.80 ? 743 HOH A H1 1 HETATM 5946 H H2 . HOH AA 6 . ? 68.847 36.887 31.901 1.00 34.80 ? 743 HOH A H2 1 HETATM 5947 O O . HOH AA 6 . ? 40.455 5.691 3.143 1.00 34.83 ? 744 HOH A O 1 HETATM 5948 H H1 . HOH AA 6 . ? 41.395 5.753 2.921 1.00 34.83 ? 744 HOH A H1 1 HETATM 5949 H H2 . HOH AA 6 . ? 40.525 5.412 4.066 1.00 34.83 ? 744 HOH A H2 1 HETATM 5950 O O . HOH AA 6 . ? 16.540 19.213 32.254 1.00 34.98 ? 745 HOH A O 1 HETATM 5951 H H1 . HOH AA 6 . ? 15.901 18.744 31.673 1.00 34.98 ? 745 HOH A H1 1 HETATM 5952 H H2 . HOH AA 6 . ? 17.248 18.564 32.301 1.00 34.98 ? 745 HOH A H2 1 HETATM 5953 O O . HOH AA 6 . ? 72.666 33.996 23.289 1.00 35.22 ? 746 HOH A O 1 HETATM 5954 H H1 . HOH AA 6 . ? 73.202 34.543 23.883 1.00 35.22 ? 746 HOH A H1 1 HETATM 5955 H H2 . HOH AA 6 . ? 73.366 33.377 23.014 1.00 35.22 ? 746 HOH A H2 1 HETATM 5956 O O . HOH AA 6 . ? 18.127 5.775 11.756 1.00 35.66 ? 747 HOH A O 1 HETATM 5957 H H1 . HOH AA 6 . ? 18.062 4.823 11.667 1.00 35.66 ? 747 HOH A H1 1 HETATM 5958 H H2 . HOH AA 6 . ? 17.939 6.024 10.838 1.00 35.66 ? 747 HOH A H2 1 HETATM 5959 O O . HOH AA 6 . ? 23.560 40.496 4.704 1.00 35.68 ? 748 HOH A O 1 HETATM 5960 H H1 . HOH AA 6 . ? 24.067 41.292 4.540 1.00 35.68 ? 748 HOH A H1 1 HETATM 5961 H H2 . HOH AA 6 . ? 23.661 39.963 3.898 1.00 35.68 ? 748 HOH A H2 1 HETATM 5962 O O . HOH AA 6 . ? 29.642 41.675 7.595 1.00 35.96 ? 749 HOH A O 1 HETATM 5963 H H1 . HOH AA 6 . ? 29.996 42.037 8.418 1.00 35.96 ? 749 HOH A H1 1 HETATM 5964 H H2 . HOH AA 6 . ? 29.804 40.713 7.736 1.00 35.96 ? 749 HOH A H2 1 HETATM 5965 O O . HOH AA 6 . ? 50.798 35.850 28.855 1.00 35.99 ? 750 HOH A O 1 HETATM 5966 H H1 . HOH AA 6 . ? 51.735 35.995 28.711 1.00 35.99 ? 750 HOH A H1 1 HETATM 5967 H H2 . HOH AA 6 . ? 50.449 35.906 27.945 1.00 35.99 ? 750 HOH A H2 1 HETATM 5968 O O . HOH AA 6 . ? 35.558 27.627 39.825 1.00 36.04 ? 751 HOH A O 1 HETATM 5969 H H1 . HOH AA 6 . ? 34.790 28.031 40.274 1.00 36.04 ? 751 HOH A H1 1 HETATM 5970 H H2 . HOH AA 6 . ? 35.815 28.342 39.219 1.00 36.04 ? 751 HOH A H2 1 HETATM 5971 O O . HOH AA 6 . ? 22.816 24.067 0.428 1.00 36.10 ? 752 HOH A O 1 HETATM 5972 H H1 . HOH AA 6 . ? 21.861 24.202 0.366 1.00 36.10 ? 752 HOH A H1 1 HETATM 5973 H H2 . HOH AA 6 . ? 23.082 24.366 -0.458 1.00 36.10 ? 752 HOH A H2 1 HETATM 5974 O O . HOH AA 6 . ? 23.541 -3.826 22.167 1.00 36.37 ? 753 HOH A O 1 HETATM 5975 H H1 . HOH AA 6 . ? 24.100 -4.433 22.646 1.00 36.37 ? 753 HOH A H1 1 HETATM 5976 H H2 . HOH AA 6 . ? 23.250 -4.352 21.389 1.00 36.37 ? 753 HOH A H2 1 HETATM 5977 O O . HOH AA 6 . ? 58.070 39.528 21.328 1.00 36.42 ? 754 HOH A O 1 HETATM 5978 H H1 . HOH AA 6 . ? 58.197 38.656 20.941 1.00 36.42 ? 754 HOH A H1 1 HETATM 5979 H H2 . HOH AA 6 . ? 58.941 39.930 21.298 1.00 36.42 ? 754 HOH A H2 1 HETATM 5980 O O . HOH AA 6 . ? 54.808 1.762 14.011 1.00 36.54 ? 755 HOH A O 1 HETATM 5981 H H1 . HOH AA 6 . ? 55.620 2.286 13.913 1.00 36.54 ? 755 HOH A H1 1 HETATM 5982 H H2 . HOH AA 6 . ? 54.506 1.716 13.092 1.00 36.54 ? 755 HOH A H2 1 HETATM 5983 O O . HOH AA 6 . ? 62.321 20.056 27.693 1.00 36.71 ? 756 HOH A O 1 HETATM 5984 H H1 . HOH AA 6 . ? 63.141 20.348 28.135 1.00 36.71 ? 756 HOH A H1 1 HETATM 5985 H H2 . HOH AA 6 . ? 62.190 20.825 27.094 1.00 36.71 ? 756 HOH A H2 1 HETATM 5986 O O . HOH AA 6 . ? 38.217 -7.088 26.578 1.00 36.72 ? 757 HOH A O 1 HETATM 5987 H H1 . HOH AA 6 . ? 38.718 -6.531 25.973 1.00 36.72 ? 757 HOH A H1 1 HETATM 5988 H H2 . HOH AA 6 . ? 38.807 -7.855 26.643 1.00 36.72 ? 757 HOH A H2 1 HETATM 5989 O O . HOH AA 6 . ? 65.031 36.312 15.859 1.00 36.82 ? 758 HOH A O 1 HETATM 5990 H H1 . HOH AA 6 . ? 64.937 35.519 15.313 1.00 36.82 ? 758 HOH A H1 1 HETATM 5991 H H2 . HOH AA 6 . ? 64.209 36.767 15.650 1.00 36.82 ? 758 HOH A H2 1 HETATM 5992 O O . HOH AA 6 . ? 30.100 43.349 17.033 1.00 37.12 ? 759 HOH A O 1 HETATM 5993 H H1 . HOH AA 6 . ? 30.874 43.925 17.061 1.00 37.12 ? 759 HOH A H1 1 HETATM 5994 H H2 . HOH AA 6 . ? 30.395 42.722 16.359 1.00 37.12 ? 759 HOH A H2 1 HETATM 5995 O O . HOH AA 6 . ? 44.432 21.823 37.013 1.00 37.19 ? 760 HOH A O 1 HETATM 5996 H H1 . HOH AA 6 . ? 45.139 22.443 36.748 1.00 37.19 ? 760 HOH A H1 1 HETATM 5997 H H2 . HOH AA 6 . ? 43.814 22.409 37.451 1.00 37.19 ? 760 HOH A H2 1 HETATM 5998 O O . HOH AA 6 . ? 22.098 6.774 5.759 1.00 37.24 ? 761 HOH A O 1 HETATM 5999 H H1 . HOH AA 6 . ? 21.488 7.237 6.345 1.00 37.24 ? 761 HOH A H1 1 HETATM 6000 H H2 . HOH AA 6 . ? 22.397 6.011 6.293 1.00 37.24 ? 761 HOH A H2 1 HETATM 6001 O O . HOH AA 6 . ? 24.919 16.901 46.786 1.00 37.56 ? 762 HOH A O 1 HETATM 6002 H H1 . HOH AA 6 . ? 25.615 16.940 47.468 1.00 37.56 ? 762 HOH A H1 1 HETATM 6003 H H2 . HOH AA 6 . ? 24.222 16.434 47.270 1.00 37.56 ? 762 HOH A H2 1 HETATM 6004 O O . HOH AA 6 . ? 19.455 11.855 36.445 1.00 37.63 ? 763 HOH A O 1 HETATM 6005 H H1 . HOH AA 6 . ? 20.287 11.389 36.289 1.00 37.63 ? 763 HOH A H1 1 HETATM 6006 H H2 . HOH AA 6 . ? 18.815 11.290 35.978 1.00 37.63 ? 763 HOH A H2 1 HETATM 6007 O O . HOH AA 6 . ? 34.715 -4.698 30.840 1.00 37.91 ? 764 HOH A O 1 HETATM 6008 H H1 . HOH AA 6 . ? 34.421 -3.860 30.441 1.00 37.91 ? 764 HOH A H1 1 HETATM 6009 H H2 . HOH AA 6 . ? 34.088 -5.233 30.319 1.00 37.91 ? 764 HOH A H2 1 HETATM 6010 O O . HOH AA 6 . ? 24.349 31.834 37.165 1.00 38.12 ? 765 HOH A O 1 HETATM 6011 H H1 . HOH AA 6 . ? 24.477 32.791 37.149 1.00 38.12 ? 765 HOH A H1 1 HETATM 6012 H H2 . HOH AA 6 . ? 25.160 31.537 36.725 1.00 38.12 ? 765 HOH A H2 1 HETATM 6013 O O . HOH AA 6 . ? 57.073 10.678 28.821 1.00 39.04 ? 766 HOH A O 1 HETATM 6014 H H1 . HOH AA 6 . ? 57.058 9.769 29.127 1.00 39.04 ? 766 HOH A H1 1 HETATM 6015 H H2 . HOH AA 6 . ? 56.153 10.964 28.916 1.00 39.04 ? 766 HOH A H2 1 HETATM 6016 O O . HOH AA 6 . ? 40.058 40.712 3.719 1.00 39.06 ? 767 HOH A O 1 HETATM 6017 H H1 . HOH AA 6 . ? 39.184 40.332 3.871 1.00 39.06 ? 767 HOH A H1 1 HETATM 6018 H H2 . HOH AA 6 . ? 40.007 40.977 2.794 1.00 39.06 ? 767 HOH A H2 1 HETATM 6019 O O . HOH AA 6 . ? 18.004 13.659 37.667 1.00 39.19 ? 768 HOH A O 1 HETATM 6020 H H1 . HOH AA 6 . ? 18.640 14.329 37.943 1.00 39.19 ? 768 HOH A H1 1 HETATM 6021 H H2 . HOH AA 6 . ? 18.593 12.959 37.299 1.00 39.19 ? 768 HOH A H2 1 HETATM 6022 O O . HOH AA 6 . ? 37.600 35.706 27.642 1.00 39.19 ? 769 HOH A O 1 HETATM 6023 H H1 . HOH AA 6 . ? 38.159 35.312 26.942 1.00 39.19 ? 769 HOH A H1 1 HETATM 6024 H H2 . HOH AA 6 . ? 36.976 35.005 27.830 1.00 39.19 ? 769 HOH A H2 1 HETATM 6025 O O . HOH AA 6 . ? 14.180 26.232 12.384 1.00 39.39 ? 770 HOH A O 1 HETATM 6026 H H1 . HOH AA 6 . ? 14.676 26.593 13.130 1.00 39.39 ? 770 HOH A H1 1 HETATM 6027 H H2 . HOH AA 6 . ? 13.769 27.052 12.068 1.00 39.39 ? 770 HOH A H2 1 HETATM 6028 O O . HOH AA 6 . ? 63.699 14.605 12.422 1.00 39.42 ? 771 HOH A O 1 HETATM 6029 H H1 . HOH AA 6 . ? 63.450 15.560 12.415 1.00 39.42 ? 771 HOH A H1 1 HETATM 6030 H H2 . HOH AA 6 . ? 62.824 14.208 12.321 1.00 39.42 ? 771 HOH A H2 1 HETATM 6031 O O . HOH AA 6 . ? 36.853 25.111 39.175 1.00 39.43 ? 772 HOH A O 1 HETATM 6032 H H1 . HOH AA 6 . ? 37.013 24.811 40.089 1.00 39.43 ? 772 HOH A H1 1 HETATM 6033 H H2 . HOH AA 6 . ? 36.379 25.947 39.363 1.00 39.43 ? 772 HOH A H2 1 HETATM 6034 O O . HOH AA 6 . ? 60.740 38.535 15.763 1.00 39.47 ? 773 HOH A O 1 HETATM 6035 H H1 . HOH AA 6 . ? 60.811 38.994 16.624 1.00 39.47 ? 773 HOH A H1 1 HETATM 6036 H H2 . HOH AA 6 . ? 61.555 38.803 15.330 1.00 39.47 ? 773 HOH A H2 1 HETATM 6037 O O . HOH AA 6 . ? 51.973 34.682 25.817 1.00 39.54 ? 774 HOH A O 1 HETATM 6038 H H1 . HOH AA 6 . ? 51.730 33.753 25.974 1.00 39.54 ? 774 HOH A H1 1 HETATM 6039 H H2 . HOH AA 6 . ? 52.777 34.750 26.335 1.00 39.54 ? 774 HOH A H2 1 HETATM 6040 O O . HOH AA 6 . ? 41.119 16.445 -1.491 1.00 39.67 ? 775 HOH A O 1 HETATM 6041 H H1 . HOH AA 6 . ? 41.753 17.147 -1.697 1.00 39.67 ? 775 HOH A H1 1 HETATM 6042 H H2 . HOH AA 6 . ? 40.392 16.975 -1.093 1.00 39.67 ? 775 HOH A H2 1 HETATM 6043 O O . HOH AA 6 . ? 29.328 -3.652 18.059 1.00 39.76 ? 776 HOH A O 1 HETATM 6044 H H1 . HOH AA 6 . ? 29.254 -4.626 18.149 1.00 39.76 ? 776 HOH A H1 1 HETATM 6045 H H2 . HOH AA 6 . ? 29.890 -3.475 18.829 1.00 39.76 ? 776 HOH A H2 1 HETATM 6046 O O . HOH AA 6 . ? 37.924 3.631 41.041 1.00 39.77 ? 777 HOH A O 1 HETATM 6047 H H1 . HOH AA 6 . ? 38.350 4.314 40.503 1.00 39.77 ? 777 HOH A H1 1 HETATM 6048 H H2 . HOH AA 6 . ? 36.998 3.825 40.864 1.00 39.77 ? 777 HOH A H2 1 HETATM 6049 O O . HOH AA 6 . ? 33.893 17.960 0.099 1.00 39.83 ? 778 HOH A O 1 HETATM 6050 H H1 . HOH AA 6 . ? 32.957 17.816 -0.088 1.00 39.83 ? 778 HOH A H1 1 HETATM 6051 H H2 . HOH AA 6 . ? 33.877 17.958 1.075 1.00 39.83 ? 778 HOH A H2 1 HETATM 6052 O O . HOH AA 6 . ? 42.946 9.926 1.336 1.00 39.87 ? 779 HOH A O 1 HETATM 6053 H H1 . HOH AA 6 . ? 43.366 10.305 2.117 1.00 39.87 ? 779 HOH A H1 1 HETATM 6054 H H2 . HOH AA 6 . ? 42.020 9.854 1.583 1.00 39.87 ? 779 HOH A H2 1 HETATM 6055 O O . HOH AA 6 . ? 62.159 38.054 25.856 1.00 39.96 ? 780 HOH A O 1 HETATM 6056 H H1 . HOH AA 6 . ? 62.709 37.711 25.130 1.00 39.96 ? 780 HOH A H1 1 HETATM 6057 H H2 . HOH AA 6 . ? 62.544 37.620 26.614 1.00 39.96 ? 780 HOH A H2 1 HETATM 6058 O O . HOH AA 6 . ? 60.309 8.929 18.111 1.00 40.10 ? 781 HOH A O 1 HETATM 6059 H H1 . HOH AA 6 . ? 60.611 9.841 18.315 1.00 40.10 ? 781 HOH A H1 1 HETATM 6060 H H2 . HOH AA 6 . ? 61.081 8.559 17.680 1.00 40.10 ? 781 HOH A H2 1 HETATM 6061 O O . HOH AA 6 . ? 49.187 -2.460 28.401 1.00 40.16 ? 782 HOH A O 1 HETATM 6062 H H1 . HOH AA 6 . ? 48.235 -2.531 28.644 1.00 40.16 ? 782 HOH A H1 1 HETATM 6063 H H2 . HOH AA 6 . ? 49.504 -2.000 29.201 1.00 40.16 ? 782 HOH A H2 1 HETATM 6064 O O . HOH AA 6 . ? 51.452 5.225 34.128 1.00 40.40 ? 783 HOH A O 1 HETATM 6065 H H1 . HOH AA 6 . ? 50.876 5.979 33.914 1.00 40.40 ? 783 HOH A H1 1 HETATM 6066 H H2 . HOH AA 6 . ? 50.861 4.772 34.769 1.00 40.40 ? 783 HOH A H2 1 HETATM 6067 O O . HOH AA 6 . ? 69.702 18.938 23.215 1.00 40.54 ? 784 HOH A O 1 HETATM 6068 H H1 . HOH AA 6 . ? 69.148 19.618 22.819 1.00 40.54 ? 784 HOH A H1 1 HETATM 6069 H H2 . HOH AA 6 . ? 69.087 18.505 23.833 1.00 40.54 ? 784 HOH A H2 1 HETATM 6070 O O . HOH AA 6 . ? 53.943 29.563 32.832 1.00 40.57 ? 785 HOH A O 1 HETATM 6071 H H1 . HOH AA 6 . ? 54.790 29.965 33.046 1.00 40.57 ? 785 HOH A H1 1 HETATM 6072 H H2 . HOH AA 6 . ? 53.531 30.258 32.309 1.00 40.57 ? 785 HOH A H2 1 HETATM 6073 O O . HOH AA 6 . ? 61.152 10.801 21.621 1.00 40.67 ? 786 HOH A O 1 HETATM 6074 H H1 . HOH AA 6 . ? 60.608 11.163 20.914 1.00 40.67 ? 786 HOH A H1 1 HETATM 6075 H H2 . HOH AA 6 . ? 61.002 11.436 22.327 1.00 40.67 ? 786 HOH A H2 1 HETATM 6076 O O . HOH AA 6 . ? 27.628 3.596 8.697 1.00 40.79 ? 787 HOH A O 1 HETATM 6077 H H1 . HOH AA 6 . ? 26.683 3.439 8.601 1.00 40.79 ? 787 HOH A H1 1 HETATM 6078 H H2 . HOH AA 6 . ? 27.691 3.939 9.607 1.00 40.79 ? 787 HOH A H2 1 HETATM 6079 O O . HOH AA 6 . ? 38.547 14.273 38.699 1.00 40.93 ? 788 HOH A O 1 HETATM 6080 H H1 . HOH AA 6 . ? 37.870 14.879 39.058 1.00 40.93 ? 788 HOH A H1 1 HETATM 6081 H H2 . HOH AA 6 . ? 38.406 14.303 37.739 1.00 40.93 ? 788 HOH A H2 1 HETATM 6082 O O . HOH AA 6 . ? 69.293 16.106 19.902 1.00 41.41 ? 789 HOH A O 1 HETATM 6083 H H1 . HOH AA 6 . ? 69.656 15.891 20.767 1.00 41.41 ? 789 HOH A H1 1 HETATM 6084 H H2 . HOH AA 6 . ? 70.089 16.197 19.355 1.00 41.41 ? 789 HOH A H2 1 HETATM 6085 O O . HOH AA 6 . ? 38.700 43.292 10.895 1.00 41.41 ? 790 HOH A O 1 HETATM 6086 H H1 . HOH AA 6 . ? 38.303 42.834 10.141 1.00 41.41 ? 790 HOH A H1 1 HETATM 6087 H H2 . HOH AA 6 . ? 39.522 42.795 11.004 1.00 41.41 ? 790 HOH A H2 1 HETATM 6088 O O . HOH AA 6 . ? 26.787 38.420 1.413 1.00 41.45 ? 791 HOH A O 1 HETATM 6089 H H1 . HOH AA 6 . ? 27.596 38.865 1.661 1.00 41.45 ? 791 HOH A H1 1 HETATM 6090 H H2 . HOH AA 6 . ? 26.735 38.574 0.453 1.00 41.45 ? 791 HOH A H2 1 HETATM 6091 O O . HOH AA 6 . ? 32.414 29.752 38.833 1.00 41.45 ? 792 HOH A O 1 HETATM 6092 H H1 . HOH AA 6 . ? 32.768 30.629 39.035 1.00 41.45 ? 792 HOH A H1 1 HETATM 6093 H H2 . HOH AA 6 . ? 31.739 29.634 39.515 1.00 41.45 ? 792 HOH A H2 1 HETATM 6094 O O . HOH AA 6 . ? 21.455 11.596 1.534 1.00 41.58 ? 793 HOH A O 1 HETATM 6095 H H1 . HOH AA 6 . ? 21.048 11.982 0.753 1.00 41.58 ? 793 HOH A H1 1 HETATM 6096 H H2 . HOH AA 6 . ? 22.014 12.326 1.868 1.00 41.58 ? 793 HOH A H2 1 HETATM 6097 O O . HOH AA 6 . ? 37.589 24.294 22.112 1.00 42.10 ? 794 HOH A O 1 HETATM 6098 H H1 . HOH AA 6 . ? 36.697 24.322 22.487 1.00 42.10 ? 794 HOH A H1 1 HETATM 6099 H H2 . HOH AA 6 . ? 38.101 24.094 22.913 1.00 42.10 ? 794 HOH A H2 1 HETATM 6100 O O . HOH AA 6 . ? 48.281 -4.381 12.630 1.00 42.25 ? 795 HOH A O 1 HETATM 6101 H H1 . HOH AA 6 . ? 48.496 -3.786 13.365 1.00 42.25 ? 795 HOH A H1 1 HETATM 6102 H H2 . HOH AA 6 . ? 48.976 -5.038 12.755 1.00 42.25 ? 795 HOH A H2 1 HETATM 6103 O O . HOH AA 6 . ? 34.607 39.553 3.722 1.00 42.32 ? 796 HOH A O 1 HETATM 6104 H H1 . HOH AA 6 . ? 35.027 39.948 2.945 1.00 42.32 ? 796 HOH A H1 1 HETATM 6105 H H2 . HOH AA 6 . ? 35.386 39.415 4.302 1.00 42.32 ? 796 HOH A H2 1 HETATM 6106 O O . HOH AA 6 . ? 60.940 11.530 18.349 1.00 42.44 ? 797 HOH A O 1 HETATM 6107 H H1 . HOH AA 6 . ? 61.403 11.483 17.492 1.00 42.44 ? 797 HOH A H1 1 HETATM 6108 H H2 . HOH AA 6 . ? 61.310 12.362 18.697 1.00 42.44 ? 797 HOH A H2 1 HETATM 6109 O O . HOH AA 6 . ? 35.326 29.579 -3.422 1.00 42.52 ? 798 HOH A O 1 HETATM 6110 H H1 . HOH AA 6 . ? 35.432 30.531 -3.516 1.00 42.52 ? 798 HOH A H1 1 HETATM 6111 H H2 . HOH AA 6 . ? 36.132 29.340 -2.937 1.00 42.52 ? 798 HOH A H2 1 HETATM 6112 O O . HOH AA 6 . ? 54.807 25.220 0.506 1.00 42.67 ? 799 HOH A O 1 HETATM 6113 H H1 . HOH AA 6 . ? 55.490 24.546 0.354 1.00 42.67 ? 799 HOH A H1 1 HETATM 6114 H H2 . HOH AA 6 . ? 54.954 25.376 1.452 1.00 42.67 ? 799 HOH A H2 1 HETATM 6115 O O . HOH AA 6 . ? 68.749 18.447 12.807 1.00 43.24 ? 800 HOH A O 1 HETATM 6116 H H1 . HOH AA 6 . ? 69.420 18.146 13.427 1.00 43.24 ? 800 HOH A H1 1 HETATM 6117 H H2 . HOH AA 6 . ? 67.945 18.094 13.210 1.00 43.24 ? 800 HOH A H2 1 HETATM 6118 O O . HOH AA 6 . ? 26.772 44.451 12.936 1.00 43.41 ? 801 HOH A O 1 HETATM 6119 H H1 . HOH AA 6 . ? 26.894 45.174 13.561 1.00 43.41 ? 801 HOH A H1 1 HETATM 6120 H H2 . HOH AA 6 . ? 26.038 43.953 13.308 1.00 43.41 ? 801 HOH A H2 1 HETATM 6121 O O . HOH AA 6 . ? 62.552 10.705 15.825 1.00 43.69 ? 802 HOH A O 1 HETATM 6122 H H1 . HOH AA 6 . ? 62.840 11.180 15.009 1.00 43.69 ? 802 HOH A H1 1 HETATM 6123 H H2 . HOH AA 6 . ? 63.373 10.241 16.004 1.00 43.69 ? 802 HOH A H2 1 HETATM 6124 O O . HOH AA 6 . ? 49.722 9.402 4.265 1.00 43.75 ? 803 HOH A O 1 HETATM 6125 H H1 . HOH AA 6 . ? 50.700 9.298 4.253 1.00 43.75 ? 803 HOH A H1 1 HETATM 6126 H H2 . HOH AA 6 . ? 49.600 9.701 3.348 1.00 43.75 ? 803 HOH A H2 1 HETATM 6127 O O . HOH AA 6 . ? 47.616 40.028 6.666 1.00 43.80 ? 804 HOH A O 1 HETATM 6128 H H1 . HOH AA 6 . ? 47.706 40.973 6.422 1.00 43.80 ? 804 HOH A H1 1 HETATM 6129 H H2 . HOH AA 6 . ? 47.865 40.076 7.609 1.00 43.80 ? 804 HOH A H2 1 HETATM 6130 O O . HOH AA 6 . ? 32.147 30.171 -2.261 1.00 43.83 ? 805 HOH A O 1 HETATM 6131 H H1 . HOH AA 6 . ? 31.595 29.776 -2.958 1.00 43.83 ? 805 HOH A H1 1 HETATM 6132 H H2 . HOH AA 6 . ? 33.010 30.221 -2.690 1.00 43.83 ? 805 HOH A H2 1 HETATM 6133 O O . HOH AA 6 . ? 15.542 21.322 36.278 1.00 44.04 ? 806 HOH A O 1 HETATM 6134 H H1 . HOH AA 6 . ? 16.071 22.041 35.912 1.00 44.04 ? 806 HOH A H1 1 HETATM 6135 H H2 . HOH AA 6 . ? 14.681 21.439 35.854 1.00 44.04 ? 806 HOH A H2 1 HETATM 6136 O O . HOH AA 6 . ? 52.855 32.297 28.993 1.00 44.09 ? 807 HOH A O 1 HETATM 6137 H H1 . HOH AA 6 . ? 52.055 32.651 29.409 1.00 44.09 ? 807 HOH A H1 1 HETATM 6138 H H2 . HOH AA 6 . ? 52.531 32.146 28.086 1.00 44.09 ? 807 HOH A H2 1 HETATM 6139 O O . HOH AA 6 . ? 50.016 38.306 6.056 1.00 44.31 ? 808 HOH A O 1 HETATM 6140 H H1 . HOH AA 6 . ? 49.653 37.445 5.806 1.00 44.31 ? 808 HOH A H1 1 HETATM 6141 H H2 . HOH AA 6 . ? 49.226 38.842 6.204 1.00 44.31 ? 808 HOH A H2 1 HETATM 6142 O O . HOH AA 6 . ? 39.249 9.553 1.029 1.00 44.74 ? 809 HOH A O 1 HETATM 6143 H H1 . HOH AA 6 . ? 39.374 9.206 0.139 1.00 44.74 ? 809 HOH A H1 1 HETATM 6144 H H2 . HOH AA 6 . ? 38.595 10.250 0.882 1.00 44.74 ? 809 HOH A H2 1 HETATM 6145 O O . HOH AA 6 . ? 44.270 41.372 24.659 1.00 44.78 ? 810 HOH A O 1 HETATM 6146 H H1 . HOH AA 6 . ? 43.461 41.131 25.140 1.00 44.78 ? 810 HOH A H1 1 HETATM 6147 H H2 . HOH AA 6 . ? 44.055 42.256 24.332 1.00 44.78 ? 810 HOH A H2 1 HETATM 6148 O O . HOH AA 6 . ? 41.035 -1.206 36.447 1.00 44.87 ? 811 HOH A O 1 HETATM 6149 H H1 . HOH AA 6 . ? 41.259 -0.266 36.490 1.00 44.87 ? 811 HOH A H1 1 HETATM 6150 H H2 . HOH AA 6 . ? 40.438 -1.306 37.201 1.00 44.87 ? 811 HOH A H2 1 HETATM 6151 O O . HOH AA 6 . ? 29.486 10.022 45.130 1.00 44.97 ? 812 HOH A O 1 HETATM 6152 H H1 . HOH AA 6 . ? 29.777 9.127 44.909 1.00 44.97 ? 812 HOH A H1 1 HETATM 6153 H H2 . HOH AA 6 . ? 30.059 10.554 44.568 1.00 44.97 ? 812 HOH A H2 1 HETATM 6154 O O . HOH AA 6 . ? 29.057 38.526 25.833 1.00 45.21 ? 813 HOH A O 1 HETATM 6155 H H1 . HOH AA 6 . ? 29.749 39.186 25.905 1.00 45.21 ? 813 HOH A H1 1 HETATM 6156 H H2 . HOH AA 6 . ? 28.805 38.606 24.898 1.00 45.21 ? 813 HOH A H2 1 HETATM 6157 O O . HOH AA 6 . ? 58.166 16.254 4.061 1.00 45.45 ? 814 HOH A O 1 HETATM 6158 H H1 . HOH AA 6 . ? 57.768 15.422 3.769 1.00 45.45 ? 814 HOH A H1 1 HETATM 6159 H H2 . HOH AA 6 . ? 58.524 16.042 4.930 1.00 45.45 ? 814 HOH A H2 1 HETATM 6160 O O . HOH AA 6 . ? 71.538 19.745 26.736 1.00 45.55 ? 815 HOH A O 1 HETATM 6161 H H1 . HOH AA 6 . ? 71.089 19.172 26.102 1.00 45.55 ? 815 HOH A H1 1 HETATM 6162 H H2 . HOH AA 6 . ? 70.796 20.117 27.235 1.00 45.55 ? 815 HOH A H2 1 HETATM 6163 O O . HOH AA 6 . ? 19.599 30.892 2.920 1.00 45.57 ? 816 HOH A O 1 HETATM 6164 H H1 . HOH AA 6 . ? 19.151 30.026 2.831 1.00 45.57 ? 816 HOH A H1 1 HETATM 6165 H H2 . HOH AA 6 . ? 18.881 31.456 3.224 1.00 45.57 ? 816 HOH A H2 1 HETATM 6166 O O . HOH AA 6 . ? 18.279 23.928 34.148 1.00 45.57 ? 817 HOH A O 1 HETATM 6167 H H1 . HOH AA 6 . ? 18.157 23.556 33.269 1.00 45.57 ? 817 HOH A H1 1 HETATM 6168 H H2 . HOH AA 6 . ? 19.219 23.751 34.309 1.00 45.57 ? 817 HOH A H2 1 HETATM 6169 O O . HOH AA 6 . ? 59.619 26.765 3.633 1.00 45.59 ? 818 HOH A O 1 HETATM 6170 H H1 . HOH AA 6 . ? 60.233 27.517 3.678 1.00 45.59 ? 818 HOH A H1 1 HETATM 6171 H H2 . HOH AA 6 . ? 59.039 26.990 4.373 1.00 45.59 ? 818 HOH A H2 1 HETATM 6172 O O . HOH AA 6 . ? 17.341 19.883 9.042 1.00 45.68 ? 819 HOH A O 1 HETATM 6173 H H1 . HOH AA 6 . ? 17.935 20.496 8.563 1.00 45.68 ? 819 HOH A H1 1 HETATM 6174 H H2 . HOH AA 6 . ? 17.669 19.012 8.780 1.00 45.68 ? 819 HOH A H2 1 HETATM 6175 O O . HOH AA 6 . ? 28.004 27.351 45.344 1.00 46.14 ? 820 HOH A O 1 HETATM 6176 H H1 . HOH AA 6 . ? 27.553 27.912 44.698 1.00 46.14 ? 820 HOH A H1 1 HETATM 6177 H H2 . HOH AA 6 . ? 28.061 27.978 46.105 1.00 46.14 ? 820 HOH A H2 1 HETATM 6178 O O . HOH AA 6 . ? 49.546 18.048 23.562 1.00 46.17 ? 821 HOH A O 1 HETATM 6179 H H1 . HOH AA 6 . ? 48.641 18.302 23.373 1.00 46.17 ? 821 HOH A H1 1 HETATM 6180 H H2 . HOH AA 6 . ? 49.689 17.273 23.012 1.00 46.17 ? 821 HOH A H2 1 HETATM 6181 O O . HOH AA 6 . ? 58.139 11.646 6.799 1.00 46.37 ? 822 HOH A O 1 HETATM 6182 H H1 . HOH AA 6 . ? 58.933 11.237 7.182 1.00 46.37 ? 822 HOH A H1 1 HETATM 6183 H H2 . HOH AA 6 . ? 58.425 12.566 6.707 1.00 46.37 ? 822 HOH A H2 1 HETATM 6184 O O . HOH AA 6 . ? 50.441 39.493 25.317 1.00 46.46 ? 823 HOH A O 1 HETATM 6185 H H1 . HOH AA 6 . ? 49.829 39.132 25.979 1.00 46.46 ? 823 HOH A H1 1 HETATM 6186 H H2 . HOH AA 6 . ? 50.360 40.436 25.479 1.00 46.46 ? 823 HOH A H2 1 HETATM 6187 O O . HOH AA 6 . ? 45.553 24.169 35.459 1.00 46.56 ? 824 HOH A O 1 HETATM 6188 H H1 . HOH AA 6 . ? 45.524 24.044 34.501 1.00 46.56 ? 824 HOH A H1 1 HETATM 6189 H H2 . HOH AA 6 . ? 44.836 24.817 35.579 1.00 46.56 ? 824 HOH A H2 1 HETATM 6190 O O . HOH AA 6 . ? 43.422 26.213 35.333 1.00 46.56 ? 825 HOH A O 1 HETATM 6191 H H1 . HOH AA 6 . ? 42.515 26.334 35.642 1.00 46.56 ? 825 HOH A H1 1 HETATM 6192 H H2 . HOH AA 6 . ? 43.438 26.811 34.565 1.00 46.56 ? 825 HOH A H2 1 HETATM 6193 O O . HOH AA 6 . ? 34.530 37.398 26.889 1.00 46.67 ? 826 HOH A O 1 HETATM 6194 H H1 . HOH AA 6 . ? 34.644 36.577 26.403 1.00 46.67 ? 826 HOH A H1 1 HETATM 6195 H H2 . HOH AA 6 . ? 34.747 37.145 27.791 1.00 46.67 ? 826 HOH A H2 1 HETATM 6196 O O . HOH AA 6 . ? 51.268 41.173 15.029 1.00 46.83 ? 827 HOH A O 1 HETATM 6197 H H1 . HOH AA 6 . ? 50.525 40.559 15.133 1.00 46.83 ? 827 HOH A H1 1 HETATM 6198 H H2 . HOH AA 6 . ? 50.867 41.820 14.442 1.00 46.83 ? 827 HOH A H2 1 HETATM 6199 O O . HOH AA 6 . ? 30.410 44.138 9.433 1.00 46.92 ? 828 HOH A O 1 HETATM 6200 H H1 . HOH AA 6 . ? 30.775 44.346 8.561 1.00 46.92 ? 828 HOH A H1 1 HETATM 6201 H H2 . HOH AA 6 . ? 29.490 44.474 9.369 1.00 46.92 ? 828 HOH A H2 1 HETATM 6202 O O . HOH AA 6 . ? 15.892 21.717 10.983 1.00 47.06 ? 829 HOH A O 1 HETATM 6203 H H1 . HOH AA 6 . ? 15.307 20.948 11.108 1.00 47.06 ? 829 HOH A H1 1 HETATM 6204 H H2 . HOH AA 6 . ? 16.576 21.287 10.447 1.00 47.06 ? 829 HOH A H2 1 HETATM 6205 O O . HOH AA 6 . ? 41.100 24.087 38.045 1.00 47.12 ? 830 HOH A O 1 HETATM 6206 H H1 . HOH AA 6 . ? 40.686 23.220 38.123 1.00 47.12 ? 830 HOH A H1 1 HETATM 6207 H H2 . HOH AA 6 . ? 41.567 24.182 38.883 1.00 47.12 ? 830 HOH A H2 1 HETATM 6208 O O . HOH AA 6 . ? 14.693 8.009 22.017 1.00 47.18 ? 831 HOH A O 1 HETATM 6209 H H1 . HOH AA 6 . ? 15.445 8.243 22.578 1.00 47.18 ? 831 HOH A H1 1 HETATM 6210 H H2 . HOH AA 6 . ? 14.320 8.903 21.899 1.00 47.18 ? 831 HOH A H2 1 HETATM 6211 O O . HOH AA 6 . ? 36.641 17.590 0.178 1.00 47.24 ? 832 HOH A O 1 HETATM 6212 H H1 . HOH AA 6 . ? 35.776 17.848 -0.191 1.00 47.24 ? 832 HOH A H1 1 HETATM 6213 H H2 . HOH AA 6 . ? 36.457 17.674 1.128 1.00 47.24 ? 832 HOH A H2 1 HETATM 6214 O O . HOH AA 6 . ? 13.697 11.123 17.783 1.00 47.40 ? 833 HOH A O 1 HETATM 6215 H H1 . HOH AA 6 . ? 14.080 11.729 18.451 1.00 47.40 ? 833 HOH A H1 1 HETATM 6216 H H2 . HOH AA 6 . ? 12.775 11.426 17.764 1.00 47.40 ? 833 HOH A H2 1 HETATM 6217 O O . HOH AA 6 . ? 70.947 39.386 25.703 1.00 47.90 ? 834 HOH A O 1 HETATM 6218 H H1 . HOH AA 6 . ? 70.382 39.814 26.390 1.00 47.90 ? 834 HOH A H1 1 HETATM 6219 H H2 . HOH AA 6 . ? 70.244 39.131 25.063 1.00 47.90 ? 834 HOH A H2 1 HETATM 6220 O O . HOH AA 6 . ? 48.923 40.306 9.235 1.00 47.92 ? 835 HOH A O 1 HETATM 6221 H H1 . HOH AA 6 . ? 49.576 40.964 8.989 1.00 47.92 ? 835 HOH A H1 1 HETATM 6222 H H2 . HOH AA 6 . ? 49.514 39.571 9.507 1.00 47.92 ? 835 HOH A H2 1 HETATM 6223 O O . HOH AA 6 . ? 47.504 43.442 14.239 1.00 47.94 ? 836 HOH A O 1 HETATM 6224 H H1 . HOH AA 6 . ? 46.680 43.398 14.752 1.00 47.94 ? 836 HOH A H1 1 HETATM 6225 H H2 . HOH AA 6 . ? 47.145 43.627 13.366 1.00 47.94 ? 836 HOH A H2 1 HETATM 6226 O O . HOH AA 6 . ? 64.517 29.530 7.168 1.00 47.98 ? 837 HOH A O 1 HETATM 6227 H H1 . HOH AA 6 . ? 65.403 29.405 7.527 1.00 47.98 ? 837 HOH A H1 1 HETATM 6228 H H2 . HOH AA 6 . ? 64.278 30.415 7.514 1.00 47.98 ? 837 HOH A H2 1 HETATM 6229 O O . HOH AA 6 . ? 52.916 41.566 18.848 1.00 48.01 ? 838 HOH A O 1 HETATM 6230 H H1 . HOH AA 6 . ? 53.822 41.257 18.779 1.00 48.01 ? 838 HOH A H1 1 HETATM 6231 H H2 . HOH AA 6 . ? 52.405 40.775 18.658 1.00 48.01 ? 838 HOH A H2 1 HETATM 6232 O O . HOH AA 6 . ? 47.777 22.165 -3.347 1.00 48.13 ? 839 HOH A O 1 HETATM 6233 H H1 . HOH AA 6 . ? 47.709 21.827 -2.444 1.00 48.13 ? 839 HOH A H1 1 HETATM 6234 H H2 . HOH AA 6 . ? 47.150 21.595 -3.817 1.00 48.13 ? 839 HOH A H2 1 HETATM 6235 O O . HOH AA 6 . ? 57.569 35.827 24.940 1.00 48.15 ? 840 HOH A O 1 HETATM 6236 H H1 . HOH AA 6 . ? 58.416 36.065 24.551 1.00 48.15 ? 840 HOH A H1 1 HETATM 6237 H H2 . HOH AA 6 . ? 56.996 36.575 24.782 1.00 48.15 ? 840 HOH A H2 1 HETATM 6238 O O . HOH AA 6 . ? 17.897 29.634 33.650 1.00 48.21 ? 841 HOH A O 1 HETATM 6239 H H1 . HOH AA 6 . ? 18.779 30.018 33.775 1.00 48.21 ? 841 HOH A H1 1 HETATM 6240 H H2 . HOH AA 6 . ? 17.677 29.890 32.741 1.00 48.21 ? 841 HOH A H2 1 HETATM 6241 O O . HOH AA 6 . ? 15.351 2.419 29.111 1.00 48.25 ? 842 HOH A O 1 HETATM 6242 H H1 . HOH AA 6 . ? 14.549 2.799 28.713 1.00 48.25 ? 842 HOH A H1 1 HETATM 6243 H H2 . HOH AA 6 . ? 15.924 2.384 28.332 1.00 48.25 ? 842 HOH A H2 1 HETATM 6244 O O . HOH AA 6 . ? 33.721 28.355 41.914 1.00 48.35 ? 843 HOH A O 1 HETATM 6245 H H1 . HOH AA 6 . ? 34.092 29.014 42.518 1.00 48.35 ? 843 HOH A H1 1 HETATM 6246 H H2 . HOH AA 6 . ? 33.288 27.738 42.522 1.00 48.35 ? 843 HOH A H2 1 HETATM 6247 O O . HOH AA 6 . ? 50.678 -7.582 19.638 1.00 48.46 ? 844 HOH A O 1 HETATM 6248 H H1 . HOH AA 6 . ? 49.772 -7.697 19.318 1.00 48.46 ? 844 HOH A H1 1 HETATM 6249 H H2 . HOH AA 6 . ? 50.701 -6.644 19.850 1.00 48.46 ? 844 HOH A H2 1 HETATM 6250 O O . HOH AA 6 . ? 21.201 33.809 24.285 1.00 48.46 ? 845 HOH A O 1 HETATM 6251 H H1 . HOH AA 6 . ? 20.454 33.769 24.894 1.00 48.46 ? 845 HOH A H1 1 HETATM 6252 H H2 . HOH AA 6 . ? 21.431 32.860 24.233 1.00 48.46 ? 845 HOH A H2 1 HETATM 6253 O O . HOH AA 6 . ? 32.426 40.104 5.577 1.00 48.69 ? 846 HOH A O 1 HETATM 6254 H H1 . HOH AA 6 . ? 32.042 39.235 5.789 1.00 48.69 ? 846 HOH A H1 1 HETATM 6255 H H2 . HOH AA 6 . ? 33.110 39.859 4.929 1.00 48.69 ? 846 HOH A H2 1 HETATM 6256 O O . HOH AA 6 . ? 22.145 31.239 -0.425 1.00 48.72 ? 847 HOH A O 1 HETATM 6257 H H1 . HOH AA 6 . ? 22.982 31.222 0.087 1.00 48.72 ? 847 HOH A H1 1 HETATM 6258 H H2 . HOH AA 6 . ? 21.627 30.539 -0.006 1.00 48.72 ? 847 HOH A H2 1 HETATM 6259 O O . HOH AA 6 . ? 64.092 32.045 8.155 1.00 49.14 ? 848 HOH A O 1 HETATM 6260 H H1 . HOH AA 6 . ? 63.987 32.923 7.794 1.00 49.14 ? 848 HOH A H1 1 HETATM 6261 H H2 . HOH AA 6 . ? 63.835 32.175 9.089 1.00 49.14 ? 848 HOH A H2 1 HETATM 6262 O O . HOH AA 6 . ? 38.552 28.862 27.306 1.00 49.19 ? 849 HOH A O 1 HETATM 6263 H H1 . HOH AA 6 . ? 38.847 29.792 27.368 1.00 49.19 ? 849 HOH A H1 1 HETATM 6264 H H2 . HOH AA 6 . ? 37.618 28.928 27.541 1.00 49.19 ? 849 HOH A H2 1 HETATM 6265 O O . HOH AA 6 . ? 69.331 40.062 31.655 1.00 49.19 ? 850 HOH A O 1 HETATM 6266 H H1 . HOH AA 6 . ? 68.903 39.197 31.826 1.00 49.19 ? 850 HOH A H1 1 HETATM 6267 H H2 . HOH AA 6 . ? 69.427 40.404 32.546 1.00 49.19 ? 850 HOH A H2 1 HETATM 6268 O O . HOH AA 6 . ? 57.892 14.592 31.752 1.00 49.56 ? 851 HOH A O 1 HETATM 6269 H H1 . HOH AA 6 . ? 56.978 14.882 31.915 1.00 49.56 ? 851 HOH A H1 1 HETATM 6270 H H2 . HOH AA 6 . ? 57.939 14.744 30.805 1.00 49.56 ? 851 HOH A H2 1 HETATM 6271 O O . HOH AA 6 . ? 16.114 19.462 27.605 1.00 49.69 ? 852 HOH A O 1 HETATM 6272 H H1 . HOH AA 6 . ? 15.233 19.863 27.488 1.00 49.69 ? 852 HOH A H1 1 HETATM 6273 H H2 . HOH AA 6 . ? 16.516 19.613 26.721 1.00 49.69 ? 852 HOH A H2 1 HETATM 6274 O O . HOH AA 6 . ? 33.133 43.550 6.925 1.00 49.72 ? 853 HOH A O 1 HETATM 6275 H H1 . HOH AA 6 . ? 32.858 42.724 6.498 1.00 49.72 ? 853 HOH A H1 1 HETATM 6276 H H2 . HOH AA 6 . ? 33.263 44.156 6.191 1.00 49.72 ? 853 HOH A H2 1 HETATM 6277 O O . HOH AA 6 . ? 30.770 37.460 6.229 1.00 49.81 ? 854 HOH A O 1 HETATM 6278 H H1 . HOH AA 6 . ? 30.278 36.754 5.788 1.00 49.81 ? 854 HOH A H1 1 HETATM 6279 H H2 . HOH AA 6 . ? 31.561 36.999 6.544 1.00 49.81 ? 854 HOH A H2 1 HETATM 6280 O O . HOH AA 6 . ? 45.247 10.700 36.222 1.00 49.95 ? 855 HOH A O 1 HETATM 6281 H H1 . HOH AA 6 . ? 45.609 10.081 36.896 1.00 49.95 ? 855 HOH A H1 1 HETATM 6282 H H2 . HOH AA 6 . ? 46.067 10.954 35.777 1.00 49.95 ? 855 HOH A H2 1 HETATM 6283 O O . HOH AA 6 . ? 33.930 44.599 16.654 1.00 50.02 ? 856 HOH A O 1 HETATM 6284 H H1 . HOH AA 6 . ? 33.894 44.537 17.613 1.00 50.02 ? 856 HOH A H1 1 HETATM 6285 H H2 . HOH AA 6 . ? 34.874 44.469 16.498 1.00 50.02 ? 856 HOH A H2 1 HETATM 6286 O O . HOH AA 6 . ? 30.448 33.195 0.223 1.00 50.12 ? 857 HOH A O 1 HETATM 6287 H H1 . HOH AA 6 . ? 30.812 34.071 0.378 1.00 50.12 ? 857 HOH A H1 1 HETATM 6288 H H2 . HOH AA 6 . ? 29.824 33.115 0.973 1.00 50.12 ? 857 HOH A H2 1 HETATM 6289 O O . HOH AA 6 . ? 18.038 28.446 3.042 1.00 50.46 ? 858 HOH A O 1 HETATM 6290 H H1 . HOH AA 6 . ? 18.144 27.686 2.454 1.00 50.46 ? 858 HOH A H1 1 HETATM 6291 H H2 . HOH AA 6 . ? 17.124 28.323 3.345 1.00 50.46 ? 858 HOH A H2 1 HETATM 6292 O O . HOH AA 6 . ? 28.858 41.727 21.875 1.00 50.71 ? 859 HOH A O 1 HETATM 6293 H H1 . HOH AA 6 . ? 29.782 41.926 21.718 1.00 50.71 ? 859 HOH A H1 1 HETATM 6294 H H2 . HOH AA 6 . ? 28.533 41.579 20.958 1.00 50.71 ? 859 HOH A H2 1 HETATM 6295 O O . HOH AA 6 . ? 25.091 35.487 29.401 1.00 50.75 ? 860 HOH A O 1 HETATM 6296 H H1 . HOH AA 6 . ? 24.585 35.933 30.097 1.00 50.75 ? 860 HOH A H1 1 HETATM 6297 H H2 . HOH AA 6 . ? 24.439 34.951 28.950 1.00 50.75 ? 860 HOH A H2 1 HETATM 6298 O O . HOH AA 6 . ? 56.547 22.640 2.171 1.00 50.82 ? 861 HOH A O 1 HETATM 6299 H H1 . HOH AA 6 . ? 57.283 22.031 2.054 1.00 50.82 ? 861 HOH A H1 1 HETATM 6300 H H2 . HOH AA 6 . ? 56.768 23.052 3.016 1.00 50.82 ? 861 HOH A H2 1 HETATM 6301 O O . HOH AA 6 . ? 22.608 7.154 39.116 1.00 50.83 ? 862 HOH A O 1 HETATM 6302 H H1 . HOH AA 6 . ? 21.702 7.145 39.456 1.00 50.83 ? 862 HOH A H1 1 HETATM 6303 H H2 . HOH AA 6 . ? 22.490 7.549 38.240 1.00 50.83 ? 862 HOH A H2 1 HETATM 6304 O O . HOH AA 6 . ? 53.450 32.491 31.826 1.00 51.07 ? 863 HOH A O 1 HETATM 6305 H H1 . HOH AA 6 . ? 54.400 32.558 31.990 1.00 51.07 ? 863 HOH A H1 1 HETATM 6306 H H2 . HOH AA 6 . ? 53.396 32.522 30.857 1.00 51.07 ? 863 HOH A H2 1 HETATM 6307 O O . HOH AA 6 . ? 26.212 23.136 -0.089 1.00 51.21 ? 864 HOH A O 1 HETATM 6308 H H1 . HOH AA 6 . ? 25.582 23.087 -0.813 1.00 51.21 ? 864 HOH A H1 1 HETATM 6309 H H2 . HOH AA 6 . ? 26.762 23.884 -0.419 1.00 51.21 ? 864 HOH A H2 1 HETATM 6310 O O . HOH AA 6 . ? 30.393 28.301 44.276 1.00 51.31 ? 865 HOH A O 1 HETATM 6311 H H1 . HOH AA 6 . ? 29.562 27.921 44.633 1.00 51.31 ? 865 HOH A H1 1 HETATM 6312 H H2 . HOH AA 6 . ? 30.969 27.530 44.384 1.00 51.31 ? 865 HOH A H2 1 HETATM 6313 O O . HOH AA 6 . ? 68.272 37.946 28.662 1.00 51.52 ? 866 HOH A O 1 HETATM 6314 H H1 . HOH AA 6 . ? 69.214 37.792 28.856 1.00 51.52 ? 866 HOH A H1 1 HETATM 6315 H H2 . HOH AA 6 . ? 67.879 37.213 29.166 1.00 51.52 ? 866 HOH A H2 1 HETATM 6316 O O . HOH AA 6 . ? 36.380 43.053 17.422 1.00 51.56 ? 867 HOH A O 1 HETATM 6317 H H1 . HOH AA 6 . ? 36.488 42.171 17.024 1.00 51.56 ? 867 HOH A H1 1 HETATM 6318 H H2 . HOH AA 6 . ? 35.509 42.960 17.826 1.00 51.56 ? 867 HOH A H2 1 HETATM 6319 O O . HOH AA 6 . ? 44.512 -2.525 33.631 1.00 51.61 ? 868 HOH A O 1 HETATM 6320 H H1 . HOH AA 6 . ? 44.788 -2.270 34.516 1.00 51.61 ? 868 HOH A H1 1 HETATM 6321 H H2 . HOH AA 6 . ? 43.546 -2.590 33.733 1.00 51.61 ? 868 HOH A H2 1 HETATM 6322 O O . HOH AA 6 . ? 60.719 11.027 8.079 1.00 51.73 ? 869 HOH A O 1 HETATM 6323 H H1 . HOH AA 6 . ? 61.463 10.856 7.485 1.00 51.73 ? 869 HOH A H1 1 HETATM 6324 H H2 . HOH AA 6 . ? 60.618 10.161 8.512 1.00 51.73 ? 869 HOH A H2 1 HETATM 6325 O O . HOH AA 6 . ? 37.220 14.740 0.023 1.00 51.85 ? 870 HOH A O 1 HETATM 6326 H H1 . HOH AA 6 . ? 37.614 14.735 -0.854 1.00 51.85 ? 870 HOH A H1 1 HETATM 6327 H H2 . HOH AA 6 . ? 37.049 15.680 0.172 1.00 51.85 ? 870 HOH A H2 1 HETATM 6328 O O . HOH AA 6 . ? 35.818 13.860 45.338 1.00 51.93 ? 871 HOH A O 1 HETATM 6329 H H1 . HOH AA 6 . ? 36.790 13.822 45.268 1.00 51.93 ? 871 HOH A H1 1 HETATM 6330 H H2 . HOH AA 6 . ? 35.628 13.039 45.815 1.00 51.93 ? 871 HOH A H2 1 HETATM 6331 O O . HOH AA 6 . ? 39.703 -6.293 29.350 1.00 52.28 ? 872 HOH A O 1 HETATM 6332 H H1 . HOH AA 6 . ? 39.411 -6.567 28.462 1.00 52.28 ? 872 HOH A H1 1 HETATM 6333 H H2 . HOH AA 6 . ? 39.345 -7.041 29.853 1.00 52.28 ? 872 HOH A H2 1 HETATM 6334 O O . HOH AA 6 . ? 20.361 29.916 28.901 1.00 52.49 ? 873 HOH A O 1 HETATM 6335 H H1 . HOH AA 6 . ? 20.651 29.528 28.054 1.00 52.49 ? 873 HOH A H1 1 HETATM 6336 H H2 . HOH AA 6 . ? 20.565 30.850 28.682 1.00 52.49 ? 873 HOH A H2 1 HETATM 6337 O O . HOH AA 6 . ? 59.805 14.642 28.295 1.00 52.58 ? 874 HOH A O 1 HETATM 6338 H H1 . HOH AA 6 . ? 58.844 14.744 28.309 1.00 52.58 ? 874 HOH A H1 1 HETATM 6339 H H2 . HOH AA 6 . ? 59.969 14.142 29.100 1.00 52.58 ? 874 HOH A H2 1 HETATM 6340 O O . HOH AA 6 . ? 64.153 21.905 28.946 1.00 52.82 ? 875 HOH A O 1 HETATM 6341 H H1 . HOH AA 6 . ? 63.273 22.303 28.891 1.00 52.82 ? 875 HOH A H1 1 HETATM 6342 H H2 . HOH AA 6 . ? 64.528 22.423 29.679 1.00 52.82 ? 875 HOH A H2 1 HETATM 6343 O O . HOH AA 6 . ? 58.476 30.280 1.636 1.00 52.91 ? 876 HOH A O 1 HETATM 6344 H H1 . HOH AA 6 . ? 58.394 30.465 2.579 1.00 52.91 ? 876 HOH A H1 1 HETATM 6345 H H2 . HOH AA 6 . ? 58.305 29.329 1.583 1.00 52.91 ? 876 HOH A H2 1 HETATM 6346 O O . HOH AA 6 . ? 28.190 29.123 -0.937 1.00 53.09 ? 877 HOH A O 1 HETATM 6347 H H1 . HOH AA 6 . ? 29.052 29.487 -0.656 1.00 53.09 ? 877 HOH A H1 1 HETATM 6348 H H2 . HOH AA 6 . ? 27.674 29.217 -0.129 1.00 53.09 ? 877 HOH A H2 1 HETATM 6349 O O . HOH AA 6 . ? 72.920 20.191 15.306 1.00 53.18 ? 878 HOH A O 1 HETATM 6350 H H1 . HOH AA 6 . ? 72.238 20.239 14.626 1.00 53.18 ? 878 HOH A H1 1 HETATM 6351 H H2 . HOH AA 6 . ? 72.634 19.410 15.802 1.00 53.18 ? 878 HOH A H2 1 HETATM 6352 O O . HOH AA 6 . ? 38.798 19.215 40.863 1.00 53.19 ? 879 HOH A O 1 HETATM 6353 H H1 . HOH AA 6 . ? 38.322 19.590 41.626 1.00 53.19 ? 879 HOH A H1 1 HETATM 6354 H H2 . HOH AA 6 . ? 38.660 19.944 40.248 1.00 53.19 ? 879 HOH A H2 1 HETATM 6355 O O . HOH AA 6 . ? 60.634 39.622 18.434 1.00 53.31 ? 880 HOH A O 1 HETATM 6356 H H1 . HOH AA 6 . ? 59.931 40.257 18.228 1.00 53.31 ? 880 HOH A H1 1 HETATM 6357 H H2 . HOH AA 6 . ? 60.193 39.121 19.128 1.00 53.31 ? 880 HOH A H2 1 HETATM 6358 O O . HOH AA 6 . ? 63.885 11.703 13.681 1.00 53.50 ? 881 HOH A O 1 HETATM 6359 H H1 . HOH AA 6 . ? 63.414 12.231 13.015 1.00 53.50 ? 881 HOH A H1 1 HETATM 6360 H H2 . HOH AA 6 . ? 64.723 12.190 13.702 1.00 53.50 ? 881 HOH A H2 1 HETATM 6361 O O . HOH AA 6 . ? 42.359 14.076 -0.669 1.00 53.56 ? 882 HOH A O 1 HETATM 6362 H H1 . HOH AA 6 . ? 43.067 13.885 -1.302 1.00 53.56 ? 882 HOH A H1 1 HETATM 6363 H H2 . HOH AA 6 . ? 41.986 14.914 -1.019 1.00 53.56 ? 882 HOH A H2 1 HETATM 6364 O O . HOH AA 6 . ? 28.217 41.213 19.206 1.00 53.60 ? 883 HOH A O 1 HETATM 6365 H H1 . HOH AA 6 . ? 28.584 41.792 18.520 1.00 53.60 ? 883 HOH A H1 1 HETATM 6366 H H2 . HOH AA 6 . ? 27.366 40.953 18.822 1.00 53.60 ? 883 HOH A H2 1 HETATM 6367 O O . HOH AA 6 . ? 39.776 26.413 36.311 1.00 53.63 ? 884 HOH A O 1 HETATM 6368 H H1 . HOH AA 6 . ? 39.324 27.083 36.836 1.00 53.63 ? 884 HOH A H1 1 HETATM 6369 H H2 . HOH AA 6 . ? 39.972 25.726 36.971 1.00 53.63 ? 884 HOH A H2 1 HETATM 6370 O O . HOH AA 6 . ? 15.263 36.535 5.793 1.00 53.68 ? 885 HOH A O 1 HETATM 6371 H H1 . HOH AA 6 . ? 15.560 37.246 5.222 1.00 53.68 ? 885 HOH A H1 1 HETATM 6372 H H2 . HOH AA 6 . ? 16.049 36.359 6.333 1.00 53.68 ? 885 HOH A H2 1 HETATM 6373 O O . HOH AA 6 . ? 42.026 3.865 38.357 1.00 53.85 ? 886 HOH A O 1 HETATM 6374 H H1 . HOH AA 6 . ? 42.056 3.642 37.408 1.00 53.85 ? 886 HOH A H1 1 HETATM 6375 H H2 . HOH AA 6 . ? 41.878 2.995 38.748 1.00 53.85 ? 886 HOH A H2 1 HETATM 6376 O O . HOH AA 6 . ? 55.922 17.877 34.597 1.00 53.88 ? 887 HOH A O 1 HETATM 6377 H H1 . HOH AA 6 . ? 54.970 18.056 34.591 1.00 53.88 ? 887 HOH A H1 1 HETATM 6378 H H2 . HOH AA 6 . ? 55.958 16.939 34.386 1.00 53.88 ? 887 HOH A H2 1 HETATM 6379 O O . HOH AA 6 . ? 50.906 38.600 0.654 1.00 53.99 ? 888 HOH A O 1 HETATM 6380 H H1 . HOH AA 6 . ? 50.506 38.152 -0.096 1.00 53.99 ? 888 HOH A H1 1 HETATM 6381 H H2 . HOH AA 6 . ? 51.846 38.442 0.496 1.00 53.99 ? 888 HOH A H2 1 HETATM 6382 O O . HOH AA 6 . ? 43.010 40.837 1.585 1.00 54.08 ? 889 HOH A O 1 HETATM 6383 H H1 . HOH AA 6 . ? 42.364 40.236 1.184 1.00 54.08 ? 889 HOH A H1 1 HETATM 6384 H H2 . HOH AA 6 . ? 42.603 41.693 1.442 1.00 54.08 ? 889 HOH A H2 1 HETATM 6385 O O . HOH AA 6 . ? 34.595 7.393 1.644 1.00 54.13 ? 890 HOH A O 1 HETATM 6386 H H1 . HOH AA 6 . ? 33.922 7.286 2.337 1.00 54.13 ? 890 HOH A H1 1 HETATM 6387 H H2 . HOH AA 6 . ? 35.398 7.148 2.112 1.00 54.13 ? 890 HOH A H2 1 HETATM 6388 O O . HOH AA 6 . ? 13.214 13.727 30.296 1.00 54.15 ? 891 HOH A O 1 HETATM 6389 H H1 . HOH AA 6 . ? 12.274 13.760 30.477 1.00 54.15 ? 891 HOH A H1 1 HETATM 6390 H H2 . HOH AA 6 . ? 13.543 14.501 30.775 1.00 54.15 ? 891 HOH A H2 1 HETATM 6391 O O . HOH AA 6 . ? 23.892 30.795 39.775 1.00 54.18 ? 892 HOH A O 1 HETATM 6392 H H1 . HOH AA 6 . ? 23.097 30.392 39.403 1.00 54.18 ? 892 HOH A H1 1 HETATM 6393 H H2 . HOH AA 6 . ? 24.159 31.370 39.031 1.00 54.18 ? 892 HOH A H2 1 HETATM 6394 O O . HOH AA 6 . ? 15.164 17.670 30.397 1.00 54.25 ? 893 HOH A O 1 HETATM 6395 H H1 . HOH AA 6 . ? 15.742 16.928 30.116 1.00 54.25 ? 893 HOH A H1 1 HETATM 6396 H H2 . HOH AA 6 . ? 15.127 18.178 29.575 1.00 54.25 ? 893 HOH A H2 1 HETATM 6397 O O . HOH AA 6 . ? 27.647 44.902 10.105 1.00 54.33 ? 894 HOH A O 1 HETATM 6398 H H1 . HOH AA 6 . ? 27.202 44.092 9.809 1.00 54.33 ? 894 HOH A H1 1 HETATM 6399 H H2 . HOH AA 6 . ? 27.298 44.970 11.007 1.00 54.33 ? 894 HOH A H2 1 HETATM 6400 O O . HOH AA 6 . ? 34.952 3.054 2.678 1.00 54.38 ? 895 HOH A O 1 HETATM 6401 H H1 . HOH AA 6 . ? 35.465 2.276 2.895 1.00 54.38 ? 895 HOH A H1 1 HETATM 6402 H H2 . HOH AA 6 . ? 34.635 3.305 3.559 1.00 54.38 ? 895 HOH A H2 1 HETATM 6403 O O . HOH AA 6 . ? 64.117 23.582 33.652 1.00 54.38 ? 896 HOH A O 1 HETATM 6404 H H1 . HOH AA 6 . ? 64.114 22.697 34.015 1.00 54.38 ? 896 HOH A H1 1 HETATM 6405 H H2 . HOH AA 6 . ? 63.502 24.058 34.232 1.00 54.38 ? 896 HOH A H2 1 HETATM 6406 O O . HOH AA 6 . ? 67.632 30.953 9.657 1.00 54.72 ? 897 HOH A O 1 HETATM 6407 H H1 . HOH AA 6 . ? 66.969 31.517 9.251 1.00 54.72 ? 897 HOH A H1 1 HETATM 6408 H H2 . HOH AA 6 . ? 67.211 30.696 10.486 1.00 54.72 ? 897 HOH A H2 1 HETATM 6409 O O . HOH AA 6 . ? 19.211 9.304 40.446 1.00 54.72 ? 898 HOH A O 1 HETATM 6410 H H1 . HOH AA 6 . ? 18.658 9.841 39.863 1.00 54.72 ? 898 HOH A H1 1 HETATM 6411 H H2 . HOH AA 6 . ? 19.629 9.983 41.010 1.00 54.72 ? 898 HOH A H2 1 HETATM 6412 O O . HOH AA 6 . ? 50.055 15.090 -1.619 1.00 54.98 ? 899 HOH A O 1 HETATM 6413 H H1 . HOH AA 6 . ? 49.701 15.762 -1.032 1.00 54.98 ? 899 HOH A H1 1 HETATM 6414 H H2 . HOH AA 6 . ? 49.367 15.011 -2.283 1.00 54.98 ? 899 HOH A H2 1 HETATM 6415 O O . HOH AA 6 . ? 22.402 38.962 20.747 1.00 54.99 ? 900 HOH A O 1 HETATM 6416 H H1 . HOH AA 6 . ? 21.689 39.025 21.394 1.00 54.99 ? 900 HOH A H1 1 HETATM 6417 H H2 . HOH AA 6 . ? 22.589 38.014 20.782 1.00 54.99 ? 900 HOH A H2 1 HETATM 6418 O O . HOH AA 6 . ? 57.126 23.108 36.384 1.00 55.04 ? 901 HOH A O 1 HETATM 6419 H H1 . HOH AA 6 . ? 57.408 22.511 35.669 1.00 55.04 ? 901 HOH A H1 1 HETATM 6420 H H2 . HOH AA 6 . ? 57.835 23.774 36.385 1.00 55.04 ? 901 HOH A H2 1 HETATM 6421 O O . HOH AA 6 . ? 38.605 0.016 38.488 1.00 55.19 ? 902 HOH A O 1 HETATM 6422 H H1 . HOH AA 6 . ? 38.266 0.085 39.389 1.00 55.19 ? 902 HOH A H1 1 HETATM 6423 H H2 . HOH AA 6 . ? 38.806 -0.944 38.451 1.00 55.19 ? 902 HOH A H2 1 HETATM 6424 O O . HOH AA 6 . ? 51.508 32.193 34.467 1.00 55.19 ? 903 HOH A O 1 HETATM 6425 H H1 . HOH AA 6 . ? 52.171 31.507 34.332 1.00 55.19 ? 903 HOH A H1 1 HETATM 6426 H H2 . HOH AA 6 . ? 51.681 32.758 33.701 1.00 55.19 ? 903 HOH A H2 1 HETATM 6427 O O . HOH AA 6 . ? 47.501 -2.077 10.021 1.00 55.20 ? 904 HOH A O 1 HETATM 6428 H H1 . HOH AA 6 . ? 47.934 -2.675 10.646 1.00 55.20 ? 904 HOH A H1 1 HETATM 6429 H H2 . HOH AA 6 . ? 48.108 -1.317 10.024 1.00 55.20 ? 904 HOH A H2 1 HETATM 6430 O O . HOH AA 6 . ? 15.572 34.898 20.750 1.00 55.28 ? 905 HOH A O 1 HETATM 6431 H H1 . HOH AA 6 . ? 16.017 35.741 20.625 1.00 55.28 ? 905 HOH A H1 1 HETATM 6432 H H2 . HOH AA 6 . ? 16.129 34.451 21.406 1.00 55.28 ? 905 HOH A H2 1 HETATM 6433 O O . HOH AA 6 . ? 48.252 2.535 33.448 1.00 55.35 ? 906 HOH A O 1 HETATM 6434 H H1 . HOH AA 6 . ? 48.743 2.987 32.746 1.00 55.35 ? 906 HOH A H1 1 HETATM 6435 H H2 . HOH AA 6 . ? 47.323 2.733 33.200 1.00 55.35 ? 906 HOH A H2 1 HETATM 6436 O O . HOH AA 6 . ? 13.195 4.610 27.306 1.00 55.64 ? 907 HOH A O 1 HETATM 6437 H H1 . HOH AA 6 . ? 13.676 5.044 28.022 1.00 55.64 ? 907 HOH A H1 1 HETATM 6438 H H2 . HOH AA 6 . ? 13.303 5.267 26.604 1.00 55.64 ? 907 HOH A H2 1 HETATM 6439 O O . HOH AA 6 . ? 48.531 38.935 2.752 1.00 55.74 ? 908 HOH A O 1 HETATM 6440 H H1 . HOH AA 6 . ? 47.994 39.490 2.158 1.00 55.74 ? 908 HOH A H1 1 HETATM 6441 H H2 . HOH AA 6 . ? 49.075 38.442 2.116 1.00 55.74 ? 908 HOH A H2 1 HETATM 6442 O O . HOH AA 6 . ? 24.987 40.001 18.636 1.00 55.76 ? 909 HOH A O 1 HETATM 6443 H H1 . HOH AA 6 . ? 24.253 40.059 19.267 1.00 55.76 ? 909 HOH A H1 1 HETATM 6444 H H2 . HOH AA 6 . ? 24.576 40.251 17.802 1.00 55.76 ? 909 HOH A H2 1 HETATM 6445 O O . HOH AA 6 . ? 41.707 18.660 36.884 1.00 55.76 ? 910 HOH A O 1 HETATM 6446 H H1 . HOH AA 6 . ? 41.706 18.366 35.956 1.00 55.76 ? 910 HOH A H1 1 HETATM 6447 H H2 . HOH AA 6 . ? 42.595 18.439 37.163 1.00 55.76 ? 910 HOH A H2 1 HETATM 6448 O O . HOH AA 6 . ? 45.560 -8.826 19.958 1.00 55.77 ? 911 HOH A O 1 HETATM 6449 H H1 . HOH AA 6 . ? 44.961 -8.073 20.081 1.00 55.77 ? 911 HOH A H1 1 HETATM 6450 H H2 . HOH AA 6 . ? 44.958 -9.572 20.024 1.00 55.77 ? 911 HOH A H2 1 HETATM 6451 O O . HOH AA 6 . ? 11.241 31.666 9.968 1.00 55.78 ? 912 HOH A O 1 HETATM 6452 H H1 . HOH AA 6 . ? 11.885 32.187 9.457 1.00 55.78 ? 912 HOH A H1 1 HETATM 6453 H H2 . HOH AA 6 . ? 10.471 31.713 9.393 1.00 55.78 ? 912 HOH A H2 1 HETATM 6454 O O . HOH AA 6 . ? 14.462 19.273 11.397 1.00 55.80 ? 913 HOH A O 1 HETATM 6455 H H1 . HOH AA 6 . ? 14.047 18.660 10.770 1.00 55.80 ? 913 HOH A H1 1 HETATM 6456 H H2 . HOH AA 6 . ? 14.086 18.959 12.228 1.00 55.80 ? 913 HOH A H2 1 HETATM 6457 O O . HOH AA 6 . ? 55.250 9.633 5.628 1.00 55.85 ? 914 HOH A O 1 HETATM 6458 H H1 . HOH AA 6 . ? 56.211 9.710 5.588 1.00 55.85 ? 914 HOH A H1 1 HETATM 6459 H H2 . HOH AA 6 . ? 54.999 10.532 5.863 1.00 55.85 ? 914 HOH A H2 1 HETATM 6460 O O . HOH AA 6 . ? 25.548 37.830 25.588 1.00 56.37 ? 915 HOH A O 1 HETATM 6461 H H1 . HOH AA 6 . ? 26.184 38.389 25.132 1.00 56.37 ? 915 HOH A H1 1 HETATM 6462 H H2 . HOH AA 6 . ? 24.939 37.554 24.892 1.00 56.37 ? 915 HOH A H2 1 HETATM 6463 O O . HOH AA 6 . ? 56.949 3.724 13.477 1.00 56.38 ? 916 HOH A O 1 HETATM 6464 H H1 . HOH AA 6 . ? 56.274 4.136 12.919 1.00 56.38 ? 916 HOH A H1 1 HETATM 6465 H H2 . HOH AA 6 . ? 56.969 4.327 14.247 1.00 56.38 ? 916 HOH A H2 1 HETATM 6466 O O . HOH AA 6 . ? 56.469 31.177 -0.668 1.00 56.54 ? 917 HOH A O 1 HETATM 6467 H H1 . HOH AA 6 . ? 55.691 31.368 -0.113 1.00 56.54 ? 917 HOH A H1 1 HETATM 6468 H H2 . HOH AA 6 . ? 57.124 30.997 0.028 1.00 56.54 ? 917 HOH A H2 1 HETATM 6469 O O . HOH AA 6 . ? 51.198 40.300 3.236 1.00 56.60 ? 918 HOH A O 1 HETATM 6470 H H1 . HOH AA 6 . ? 51.099 39.733 2.458 1.00 56.60 ? 918 HOH A H1 1 HETATM 6471 H H2 . HOH AA 6 . ? 50.546 39.888 3.822 1.00 56.60 ? 918 HOH A H2 1 HETATM 6472 O O . HOH AA 6 . ? 46.778 26.652 -5.254 1.00 56.60 ? 919 HOH A O 1 HETATM 6473 H H1 . HOH AA 6 . ? 47.651 26.682 -5.696 1.00 56.60 ? 919 HOH A H1 1 HETATM 6474 H H2 . HOH AA 6 . ? 46.996 27.058 -4.406 1.00 56.60 ? 919 HOH A H2 1 HETATM 6475 O O . HOH AA 6 . ? 20.232 27.826 39.008 1.00 56.68 ? 920 HOH A O 1 HETATM 6476 H H1 . HOH AA 6 . ? 20.916 27.929 39.682 1.00 56.68 ? 920 HOH A H1 1 HETATM 6477 H H2 . HOH AA 6 . ? 20.288 26.859 38.852 1.00 56.68 ? 920 HOH A H2 1 HETATM 6478 O O . HOH AA 6 . ? 42.324 29.783 35.148 1.00 56.73 ? 921 HOH A O 1 HETATM 6479 H H1 . HOH AA 6 . ? 41.477 29.821 34.679 1.00 56.73 ? 921 HOH A H1 1 HETATM 6480 H H2 . HOH AA 6 . ? 42.001 29.692 36.049 1.00 56.73 ? 921 HOH A H2 1 HETATM 6481 O O . HOH AA 6 . ? 67.045 21.280 7.320 1.00 56.75 ? 922 HOH A O 1 HETATM 6482 H H1 . HOH AA 6 . ? 67.309 21.614 8.188 1.00 56.75 ? 922 HOH A H1 1 HETATM 6483 H H2 . HOH AA 6 . ? 66.135 21.040 7.525 1.00 56.75 ? 922 HOH A H2 1 HETATM 6484 O O . HOH AA 6 . ? 18.969 38.850 4.107 1.00 56.89 ? 923 HOH A O 1 HETATM 6485 H H1 . HOH AA 6 . ? 18.903 38.213 4.828 1.00 56.89 ? 923 HOH A H1 1 HETATM 6486 H H2 . HOH AA 6 . ? 19.637 39.446 4.468 1.00 56.89 ? 923 HOH A H2 1 HETATM 6487 O O . HOH AA 6 . ? 47.204 34.576 33.836 1.00 56.90 ? 924 HOH A O 1 HETATM 6488 H H1 . HOH AA 6 . ? 47.292 33.621 33.816 1.00 56.90 ? 924 HOH A H1 1 HETATM 6489 H H2 . HOH AA 6 . ? 47.211 34.821 32.902 1.00 56.90 ? 924 HOH A H2 1 HETATM 6490 O O . HOH AA 6 . ? 62.079 13.979 23.930 1.00 56.97 ? 925 HOH A O 1 HETATM 6491 H H1 . HOH AA 6 . ? 61.975 14.822 24.423 1.00 56.97 ? 925 HOH A H1 1 HETATM 6492 H H2 . HOH AA 6 . ? 61.296 13.962 23.367 1.00 56.97 ? 925 HOH A H2 1 HETATM 6493 O O . HOH AA 6 . ? 52.616 9.549 4.202 1.00 57.44 ? 926 HOH A O 1 HETATM 6494 H H1 . HOH AA 6 . ? 53.457 9.183 4.526 1.00 57.44 ? 926 HOH A H1 1 HETATM 6495 H H2 . HOH AA 6 . ? 52.855 10.457 3.995 1.00 57.44 ? 926 HOH A H2 1 HETATM 6496 O O . HOH AA 6 . ? 65.023 39.710 23.649 1.00 57.45 ? 927 HOH A O 1 HETATM 6497 H H1 . HOH AA 6 . ? 64.646 38.951 24.116 1.00 57.45 ? 927 HOH A H1 1 HETATM 6498 H H2 . HOH AA 6 . ? 64.321 39.914 23.030 1.00 57.45 ? 927 HOH A H2 1 HETATM 6499 O O . HOH AA 6 . ? 50.260 29.880 -5.309 1.00 57.48 ? 928 HOH A O 1 HETATM 6500 H H1 . HOH AA 6 . ? 50.981 29.773 -4.672 1.00 57.48 ? 928 HOH A H1 1 HETATM 6501 H H2 . HOH AA 6 . ? 50.074 30.822 -5.296 1.00 57.48 ? 928 HOH A H2 1 HETATM 6502 O O . HOH AA 6 . ? 33.756 15.463 -1.556 1.00 57.67 ? 929 HOH A O 1 HETATM 6503 H H1 . HOH AA 6 . ? 34.444 15.175 -2.194 1.00 57.67 ? 929 HOH A H1 1 HETATM 6504 H H2 . HOH AA 6 . ? 34.144 16.265 -1.175 1.00 57.67 ? 929 HOH A H2 1 HETATM 6505 O O . HOH AA 6 . ? 17.735 38.500 9.624 1.00 57.70 ? 930 HOH A O 1 HETATM 6506 H H1 . HOH AA 6 . ? 17.569 37.705 10.151 1.00 57.70 ? 930 HOH A H1 1 HETATM 6507 H H2 . HOH AA 6 . ? 18.363 38.947 10.211 1.00 57.70 ? 930 HOH A H2 1 HETATM 6508 O O . HOH AA 6 . ? 27.209 -7.597 23.446 1.00 58.24 ? 931 HOH A O 1 HETATM 6509 H H1 . HOH AA 6 . ? 27.751 -8.142 24.057 1.00 58.24 ? 931 HOH A H1 1 HETATM 6510 H H2 . HOH AA 6 . ? 27.532 -6.732 23.773 1.00 58.24 ? 931 HOH A H2 1 HETATM 6511 O O . HOH AA 6 . ? 24.716 30.982 0.698 1.00 58.36 ? 932 HOH A O 1 HETATM 6512 H H1 . HOH AA 6 . ? 25.049 30.257 1.249 1.00 58.36 ? 932 HOH A H1 1 HETATM 6513 H H2 . HOH AA 6 . ? 25.487 31.254 0.190 1.00 58.36 ? 932 HOH A H2 1 HETATM 6514 O O . HOH AA 6 . ? 38.298 46.336 17.733 1.00 58.43 ? 933 HOH A O 1 HETATM 6515 H H1 . HOH AA 6 . ? 38.723 45.521 17.445 1.00 58.43 ? 933 HOH A H1 1 HETATM 6516 H H2 . HOH AA 6 . ? 37.512 46.344 17.175 1.00 58.43 ? 933 HOH A H2 1 HETATM 6517 O O . HOH AA 6 . ? 14.278 10.815 21.641 1.00 58.44 ? 934 HOH A O 1 HETATM 6518 H H1 . HOH AA 6 . ? 13.652 11.411 22.100 1.00 58.44 ? 934 HOH A H1 1 HETATM 6519 H H2 . HOH AA 6 . ? 14.429 11.360 20.844 1.00 58.44 ? 934 HOH A H2 1 HETATM 6520 O O . HOH AA 6 . ? 54.336 39.231 8.765 1.00 58.47 ? 935 HOH A O 1 HETATM 6521 H H1 . HOH AA 6 . ? 55.244 39.401 8.472 1.00 58.47 ? 935 HOH A H1 1 HETATM 6522 H H2 . HOH AA 6 . ? 54.285 39.620 9.653 1.00 58.47 ? 935 HOH A H2 1 HETATM 6523 O O . HOH AA 6 . ? 45.359 -4.222 31.531 1.00 58.69 ? 936 HOH A O 1 HETATM 6524 H H1 . HOH AA 6 . ? 44.648 -4.888 31.584 1.00 58.69 ? 936 HOH A H1 1 HETATM 6525 H H2 . HOH AA 6 . ? 45.145 -3.633 32.281 1.00 58.69 ? 936 HOH A H2 1 HETATM 6526 O O . HOH AA 6 . ? 18.853 28.645 -2.389 1.00 58.78 ? 937 HOH A O 1 HETATM 6527 H H1 . HOH AA 6 . ? 19.145 27.866 -1.903 1.00 58.78 ? 937 HOH A H1 1 HETATM 6528 H H2 . HOH AA 6 . ? 19.342 29.326 -1.917 1.00 58.78 ? 937 HOH A H2 1 HETATM 6529 O O . HOH AA 6 . ? 36.296 8.512 46.126 1.00 58.85 ? 938 HOH A O 1 HETATM 6530 H H1 . HOH AA 6 . ? 35.607 7.873 46.285 1.00 58.85 ? 938 HOH A H1 1 HETATM 6531 H H2 . HOH AA 6 . ? 35.908 9.380 46.339 1.00 58.85 ? 938 HOH A H2 1 HETATM 6532 O O . HOH AA 6 . ? 53.524 -3.963 26.915 1.00 58.90 ? 939 HOH A O 1 HETATM 6533 H H1 . HOH AA 6 . ? 52.587 -3.760 27.026 1.00 58.90 ? 939 HOH A H1 1 HETATM 6534 H H2 . HOH AA 6 . ? 53.493 -4.927 26.821 1.00 58.90 ? 939 HOH A H2 1 HETATM 6535 O O . HOH AA 6 . ? 30.997 29.722 41.446 1.00 59.02 ? 940 HOH A O 1 HETATM 6536 H H1 . HOH AA 6 . ? 31.720 30.334 41.678 1.00 59.02 ? 940 HOH A H1 1 HETATM 6537 H H2 . HOH AA 6 . ? 31.047 29.079 42.176 1.00 59.02 ? 940 HOH A H2 1 HETATM 6538 O O . HOH AA 6 . ? 53.297 39.792 11.479 1.00 59.19 ? 941 HOH A O 1 HETATM 6539 H H1 . HOH AA 6 . ? 52.425 39.445 11.201 1.00 59.19 ? 941 HOH A H1 1 HETATM 6540 H H2 . HOH AA 6 . ? 53.176 39.917 12.434 1.00 59.19 ? 941 HOH A H2 1 HETATM 6541 O O . HOH AA 6 . ? 43.069 -5.965 31.233 1.00 59.37 ? 942 HOH A O 1 HETATM 6542 H H1 . HOH AA 6 . ? 42.217 -6.366 31.424 1.00 59.37 ? 942 HOH A H1 1 HETATM 6543 H H2 . HOH AA 6 . ? 43.024 -5.738 30.290 1.00 59.37 ? 942 HOH A H2 1 HETATM 6544 O O . HOH AA 6 . ? 19.145 27.157 35.099 1.00 59.53 ? 943 HOH A O 1 HETATM 6545 H H1 . HOH AA 6 . ? 18.421 26.900 34.507 1.00 59.53 ? 943 HOH A H1 1 HETATM 6546 H H2 . HOH AA 6 . ? 19.426 26.282 35.410 1.00 59.53 ? 943 HOH A H2 1 HETATM 6547 O O . HOH AA 6 . ? 38.131 40.892 26.569 1.00 59.80 ? 944 HOH A O 1 HETATM 6548 H H1 . HOH AA 6 . ? 37.658 40.057 26.525 1.00 59.80 ? 944 HOH A H1 1 HETATM 6549 H H2 . HOH AA 6 . ? 37.572 41.452 26.009 1.00 59.80 ? 944 HOH A H2 1 HETATM 6550 O O . HOH AA 6 . ? 45.827 27.798 36.279 1.00 59.88 ? 945 HOH A O 1 HETATM 6551 H H1 . HOH AA 6 . ? 45.230 27.043 36.178 1.00 59.88 ? 945 HOH A H1 1 HETATM 6552 H H2 . HOH AA 6 . ? 46.672 27.435 35.985 1.00 59.88 ? 945 HOH A H2 1 HETATM 6553 O O . HOH AA 6 . ? 45.894 6.603 34.295 1.00 59.95 ? 946 HOH A O 1 HETATM 6554 H H1 . HOH AA 6 . ? 44.970 6.574 33.997 1.00 59.95 ? 946 HOH A H1 1 HETATM 6555 H H2 . HOH AA 6 . ? 45.814 7.171 35.068 1.00 59.95 ? 946 HOH A H2 1 HETATM 6556 O O . HOH AA 6 . ? 65.081 34.736 11.184 1.00 60.10 ? 947 HOH A O 1 HETATM 6557 H H1 . HOH AA 6 . ? 64.850 33.836 11.419 1.00 60.10 ? 947 HOH A H1 1 HETATM 6558 H H2 . HOH AA 6 . ? 65.756 34.966 11.844 1.00 60.10 ? 947 HOH A H2 1 HETATM 6559 O O . HOH AA 6 . ? 22.013 19.280 3.559 1.00 60.13 ? 948 HOH A O 1 HETATM 6560 H H1 . HOH AA 6 . ? 21.324 18.619 3.362 1.00 60.13 ? 948 HOH A H1 1 HETATM 6561 H H2 . HOH AA 6 . ? 21.510 20.107 3.640 1.00 60.13 ? 948 HOH A H2 1 HETATM 6562 O O . HOH AA 6 . ? 43.707 -4.856 13.975 1.00 60.14 ? 949 HOH A O 1 HETATM 6563 H H1 . HOH AA 6 . ? 43.098 -5.432 13.488 1.00 60.14 ? 949 HOH A H1 1 HETATM 6564 H H2 . HOH AA 6 . ? 43.852 -4.160 13.317 1.00 60.14 ? 949 HOH A H2 1 HETATM 6565 O O . HOH AA 6 . ? 73.308 23.701 11.855 1.00 60.16 ? 950 HOH A O 1 HETATM 6566 H H1 . HOH AA 6 . ? 73.976 23.616 12.546 1.00 60.16 ? 950 HOH A H1 1 HETATM 6567 H H2 . HOH AA 6 . ? 73.759 23.388 11.067 1.00 60.16 ? 950 HOH A H2 1 HETATM 6568 O O . HOH AA 6 . ? 26.454 34.658 -0.627 1.00 60.29 ? 951 HOH A O 1 HETATM 6569 H H1 . HOH AA 6 . ? 26.259 34.693 -1.568 1.00 60.29 ? 951 HOH A H1 1 HETATM 6570 H H2 . HOH AA 6 . ? 25.600 34.468 -0.218 1.00 60.29 ? 951 HOH A H2 1 HETATM 6571 O O . HOH AA 6 . ? 18.299 17.589 6.828 1.00 60.37 ? 952 HOH A O 1 HETATM 6572 H H1 . HOH AA 6 . ? 18.100 17.600 5.886 1.00 60.37 ? 952 HOH A H1 1 HETATM 6573 H H2 . HOH AA 6 . ? 19.176 18.011 6.828 1.00 60.37 ? 952 HOH A H2 1 HETATM 6574 O O . HOH AA 6 . ? 25.177 10.318 45.111 1.00 60.48 ? 953 HOH A O 1 HETATM 6575 H H1 . HOH AA 6 . ? 25.497 10.614 45.975 1.00 60.48 ? 953 HOH A H1 1 HETATM 6576 H H2 . HOH AA 6 . ? 24.247 10.561 45.228 1.00 60.48 ? 953 HOH A H2 1 HETATM 6577 O O . HOH AA 6 . ? 24.065 19.842 47.682 1.00 60.58 ? 954 HOH A O 1 HETATM 6578 H H1 . HOH AA 6 . ? 24.177 18.899 47.518 1.00 60.58 ? 954 HOH A H1 1 HETATM 6579 H H2 . HOH AA 6 . ? 24.990 20.135 47.670 1.00 60.58 ? 954 HOH A H2 1 HETATM 6580 O O . HOH AA 6 . ? 67.228 35.382 13.188 1.00 60.77 ? 955 HOH A O 1 HETATM 6581 H H1 . HOH AA 6 . ? 67.110 36.297 13.470 1.00 60.77 ? 955 HOH A H1 1 HETATM 6582 H H2 . HOH AA 6 . ? 68.100 35.388 12.760 1.00 60.77 ? 955 HOH A H2 1 HETATM 6583 O O . HOH AA 6 . ? 19.157 40.091 6.779 1.00 60.79 ? 956 HOH A O 1 HETATM 6584 H H1 . HOH AA 6 . ? 18.441 40.482 6.270 1.00 60.79 ? 956 HOH A H1 1 HETATM 6585 H H2 . HOH AA 6 . ? 18.744 39.869 7.619 1.00 60.79 ? 956 HOH A H2 1 HETATM 6586 O O . HOH AA 6 . ? 12.005 24.389 12.751 1.00 61.24 ? 957 HOH A O 1 HETATM 6587 H H1 . HOH AA 6 . ? 12.452 23.828 13.408 1.00 61.24 ? 957 HOH A H1 1 HETATM 6588 H H2 . HOH AA 6 . ? 12.707 25.017 12.513 1.00 61.24 ? 957 HOH A H2 1 HETATM 6589 O O . HOH AA 6 . ? 11.819 30.954 12.570 1.00 61.29 ? 958 HOH A O 1 HETATM 6590 H H1 . HOH AA 6 . ? 11.634 31.244 11.648 1.00 61.29 ? 958 HOH A H1 1 HETATM 6591 H H2 . HOH AA 6 . ? 11.002 31.195 13.010 1.00 61.29 ? 958 HOH A H2 1 HETATM 6592 O O . HOH AA 6 . ? 50.008 -1.000 30.609 1.00 61.32 ? 959 HOH A O 1 HETATM 6593 H H1 . HOH AA 6 . ? 50.681 -0.400 30.264 1.00 61.32 ? 959 HOH A H1 1 HETATM 6594 H H2 . HOH AA 6 . ? 50.250 -1.093 31.531 1.00 61.32 ? 959 HOH A H2 1 HETATM 6595 O O . HOH AA 6 . ? 40.787 31.777 -5.437 1.00 61.33 ? 960 HOH A O 1 HETATM 6596 H H1 . HOH AA 6 . ? 39.948 32.178 -5.181 1.00 61.33 ? 960 HOH A H1 1 HETATM 6597 H H2 . HOH AA 6 . ? 41.439 32.418 -5.133 1.00 61.33 ? 960 HOH A H2 1 HETATM 6598 O O . HOH AA 6 . ? 24.865 16.186 1.734 1.00 61.49 ? 961 HOH A O 1 HETATM 6599 H H1 . HOH AA 6 . ? 25.761 15.951 1.450 1.00 61.49 ? 961 HOH A H1 1 HETATM 6600 H H2 . HOH AA 6 . ? 25.036 17.049 2.169 1.00 61.49 ? 961 HOH A H2 1 HETATM 6601 O O . HOH AA 6 . ? 13.574 9.913 28.958 1.00 61.82 ? 962 HOH A O 1 HETATM 6602 H H1 . HOH AA 6 . ? 14.298 9.798 28.335 1.00 61.82 ? 962 HOH A H1 1 HETATM 6603 H H2 . HOH AA 6 . ? 13.215 10.770 28.720 1.00 61.82 ? 962 HOH A H2 1 HETATM 6604 O O . HOH AA 6 . ? 57.141 33.946 27.672 1.00 61.86 ? 963 HOH A O 1 HETATM 6605 H H1 . HOH AA 6 . ? 57.423 34.404 26.865 1.00 61.86 ? 963 HOH A H1 1 HETATM 6606 H H2 . HOH AA 6 . ? 57.691 33.148 27.647 1.00 61.86 ? 963 HOH A H2 1 HETATM 6607 O O . HOH AA 6 . ? 45.105 12.647 -2.108 1.00 61.94 ? 964 HOH A O 1 HETATM 6608 H H1 . HOH AA 6 . ? 46.028 12.574 -1.853 1.00 61.94 ? 964 HOH A H1 1 HETATM 6609 H H2 . HOH AA 6 . ? 44.764 11.771 -1.884 1.00 61.94 ? 964 HOH A H2 1 HETATM 6610 O O . HOH AA 6 . ? 68.952 38.088 24.066 1.00 61.98 ? 965 HOH A O 1 HETATM 6611 H H1 . HOH AA 6 . ? 68.679 37.176 24.248 1.00 61.98 ? 965 HOH A H1 1 HETATM 6612 H H2 . HOH AA 6 . ? 68.778 38.087 23.114 1.00 61.98 ? 965 HOH A H2 1 HETATM 6613 O O . HOH AA 6 . ? 40.158 34.098 33.852 1.00 62.02 ? 966 HOH A O 1 HETATM 6614 H H1 . HOH AA 6 . ? 40.890 34.719 33.887 1.00 62.02 ? 966 HOH A H1 1 HETATM 6615 H H2 . HOH AA 6 . ? 39.746 34.179 34.721 1.00 62.02 ? 966 HOH A H2 1 HETATM 6616 O O . HOH AA 6 . ? 57.917 3.035 29.130 1.00 62.24 ? 967 HOH A O 1 HETATM 6617 H H1 . HOH AA 6 . ? 58.193 2.108 29.242 1.00 62.24 ? 967 HOH A H1 1 HETATM 6618 H H2 . HOH AA 6 . ? 57.212 2.926 28.472 1.00 62.24 ? 967 HOH A H2 1 HETATM 6619 O O . HOH AA 6 . ? 40.983 45.736 12.964 1.00 62.46 ? 968 HOH A O 1 HETATM 6620 H H1 . HOH AA 6 . ? 41.707 45.314 13.449 1.00 62.46 ? 968 HOH A H1 1 HETATM 6621 H H2 . HOH AA 6 . ? 40.761 45.087 12.295 1.00 62.46 ? 968 HOH A H2 1 HETATM 6622 O O . HOH AA 6 . ? 56.203 33.912 -1.375 1.00 62.58 ? 969 HOH A O 1 HETATM 6623 H H1 . HOH AA 6 . ? 56.119 32.930 -1.385 1.00 62.58 ? 969 HOH A H1 1 HETATM 6624 H H2 . HOH AA 6 . ? 57.060 33.988 -0.960 1.00 62.58 ? 969 HOH A H2 1 HETATM 6625 O O . HOH AA 6 . ? 66.360 14.158 13.325 1.00 62.90 ? 970 HOH A O 1 HETATM 6626 H H1 . HOH AA 6 . ? 65.414 14.378 13.184 1.00 62.90 ? 970 HOH A H1 1 HETATM 6627 H H2 . HOH AA 6 . ? 66.708 14.201 12.439 1.00 62.90 ? 970 HOH A H2 1 HETATM 6628 O O . HOH AA 6 . ? 16.034 4.224 20.690 1.00 62.92 ? 971 HOH A O 1 HETATM 6629 H H1 . HOH AA 6 . ? 15.685 4.420 19.812 1.00 62.92 ? 971 HOH A H1 1 HETATM 6630 H H2 . HOH AA 6 . ? 15.987 5.078 21.136 1.00 62.92 ? 971 HOH A H2 1 HETATM 6631 O O . HOH AA 6 . ? 60.524 24.052 4.403 1.00 62.95 ? 972 HOH A O 1 HETATM 6632 H H1 . HOH AA 6 . ? 59.754 24.031 4.981 1.00 62.95 ? 972 HOH A H1 1 HETATM 6633 H H2 . HOH AA 6 . ? 60.478 24.952 4.051 1.00 62.95 ? 972 HOH A H2 1 HETATM 6634 O O . HOH AA 6 . ? 20.817 32.196 27.423 1.00 63.16 ? 973 HOH A O 1 HETATM 6635 H H1 . HOH AA 6 . ? 20.918 31.617 26.652 1.00 63.16 ? 973 HOH A H1 1 HETATM 6636 H H2 . HOH AA 6 . ? 19.879 32.424 27.374 1.00 63.16 ? 973 HOH A H2 1 HETATM 6637 O O . HOH AA 6 . ? 62.453 32.713 4.110 1.00 63.20 ? 974 HOH A O 1 HETATM 6638 H H1 . HOH AA 6 . ? 63.301 32.707 4.552 1.00 63.20 ? 974 HOH A H1 1 HETATM 6639 H H2 . HOH AA 6 . ? 62.328 31.773 3.873 1.00 63.20 ? 974 HOH A H2 1 HETATM 6640 O O . HOH AA 6 . ? 23.732 11.579 -1.181 1.00 63.22 ? 975 HOH A O 1 HETATM 6641 H H1 . HOH AA 6 . ? 23.653 12.053 -0.343 1.00 63.22 ? 975 HOH A H1 1 HETATM 6642 H H2 . HOH AA 6 . ? 23.136 10.828 -1.008 1.00 63.22 ? 975 HOH A H2 1 HETATM 6643 O O . HOH AA 6 . ? 58.134 40.423 -0.007 1.00 63.50 ? 976 HOH A O 1 HETATM 6644 H H1 . HOH AA 6 . ? 58.072 39.706 -0.627 1.00 63.50 ? 976 HOH A H1 1 HETATM 6645 H H2 . HOH AA 6 . ? 57.834 40.008 0.821 1.00 63.50 ? 976 HOH A H2 1 HETATM 6646 O O . HOH AA 6 . ? 57.860 0.283 28.445 1.00 63.53 ? 977 HOH A O 1 HETATM 6647 H H1 . HOH AA 6 . ? 58.617 0.056 27.895 1.00 63.53 ? 977 HOH A H1 1 HETATM 6648 H H2 . HOH AA 6 . ? 57.176 0.590 27.829 1.00 63.53 ? 977 HOH A H2 1 HETATM 6649 O O . HOH AA 6 . ? 61.212 7.045 9.344 1.00 63.61 ? 978 HOH A O 1 HETATM 6650 H H1 . HOH AA 6 . ? 60.453 7.586 9.600 1.00 63.61 ? 978 HOH A H1 1 HETATM 6651 H H2 . HOH AA 6 . ? 61.335 6.462 10.093 1.00 63.61 ? 978 HOH A H2 1 HETATM 6652 O O . HOH AA 6 . ? 58.289 6.296 24.192 1.00 63.63 ? 979 HOH A O 1 HETATM 6653 H H1 . HOH AA 6 . ? 58.883 6.865 23.687 1.00 63.63 ? 979 HOH A H1 1 HETATM 6654 H H2 . HOH AA 6 . ? 57.948 6.882 24.876 1.00 63.63 ? 979 HOH A H2 1 HETATM 6655 O O . HOH AA 6 . ? 28.488 7.018 45.931 1.00 63.65 ? 980 HOH A O 1 HETATM 6656 H H1 . HOH AA 6 . ? 29.397 7.129 46.264 1.00 63.65 ? 980 HOH A H1 1 HETATM 6657 H H2 . HOH AA 6 . ? 28.614 6.411 45.195 1.00 63.65 ? 980 HOH A H2 1 HETATM 6658 O O . HOH AA 6 . ? 34.028 37.912 30.626 1.00 64.08 ? 981 HOH A O 1 HETATM 6659 H H1 . HOH AA 6 . ? 34.613 38.657 30.763 1.00 64.08 ? 981 HOH A H1 1 HETATM 6660 H H2 . HOH AA 6 . ? 33.767 37.708 31.553 1.00 64.08 ? 981 HOH A H2 1 HETATM 6661 O O . HOH AA 6 . ? 41.166 -7.072 16.569 1.00 64.09 ? 982 HOH A O 1 HETATM 6662 H H1 . HOH AA 6 . ? 40.298 -7.526 16.641 1.00 64.09 ? 982 HOH A H1 1 HETATM 6663 H H2 . HOH AA 6 . ? 41.754 -7.795 16.795 1.00 64.09 ? 982 HOH A H2 1 HETATM 6664 O O . HOH AA 6 . ? 63.117 37.751 11.124 1.00 64.22 ? 983 HOH A O 1 HETATM 6665 H H1 . HOH AA 6 . ? 63.701 37.047 10.811 1.00 64.22 ? 983 HOH A H1 1 HETATM 6666 H H2 . HOH AA 6 . ? 62.780 37.390 11.954 1.00 64.22 ? 983 HOH A H2 1 HETATM 6667 O O . HOH AA 6 . ? 50.246 -5.547 25.309 1.00 64.85 ? 984 HOH A O 1 HETATM 6668 H H1 . HOH AA 6 . ? 49.363 -5.248 25.557 1.00 64.85 ? 984 HOH A H1 1 HETATM 6669 H H2 . HOH AA 6 . ? 50.588 -4.829 24.768 1.00 64.85 ? 984 HOH A H2 1 HETATM 6670 O O . HOH AA 6 . ? 65.888 29.591 35.247 1.00 64.86 ? 985 HOH A O 1 HETATM 6671 H H1 . HOH AA 6 . ? 65.261 30.074 34.697 1.00 64.86 ? 985 HOH A H1 1 HETATM 6672 H H2 . HOH AA 6 . ? 65.467 28.739 35.375 1.00 64.86 ? 985 HOH A H2 1 HETATM 6673 O O . HOH AA 6 . ? 55.607 14.311 2.852 1.00 65.00 ? 986 HOH A O 1 HETATM 6674 H H1 . HOH AA 6 . ? 55.035 14.875 2.334 1.00 65.00 ? 986 HOH A H1 1 HETATM 6675 H H2 . HOH AA 6 . ? 55.006 13.760 3.380 1.00 65.00 ? 986 HOH A H2 1 HETATM 6676 O O . HOH AA 6 . ? 57.472 8.036 36.527 1.00 65.11 ? 987 HOH A O 1 HETATM 6677 H H1 . HOH AA 6 . ? 57.054 7.756 35.705 1.00 65.11 ? 987 HOH A H1 1 HETATM 6678 H H2 . HOH AA 6 . ? 57.683 7.223 36.987 1.00 65.11 ? 987 HOH A H2 1 HETATM 6679 O O . HOH AA 6 . ? 62.617 37.708 7.395 1.00 65.25 ? 988 HOH A O 1 HETATM 6680 H H1 . HOH AA 6 . ? 61.788 37.213 7.375 1.00 65.25 ? 988 HOH A H1 1 HETATM 6681 H H2 . HOH AA 6 . ? 62.710 37.934 8.326 1.00 65.25 ? 988 HOH A H2 1 HETATM 6682 O O . HOH AA 6 . ? 28.951 42.213 4.686 1.00 65.36 ? 989 HOH A O 1 HETATM 6683 H H1 . HOH AA 6 . ? 28.865 42.212 5.657 1.00 65.36 ? 989 HOH A H1 1 HETATM 6684 H H2 . HOH AA 6 . ? 29.866 41.942 4.570 1.00 65.36 ? 989 HOH A H2 1 HETATM 6685 O O . HOH AA 6 . ? 22.822 34.164 -1.743 1.00 65.48 ? 990 HOH A O 1 HETATM 6686 H H1 . HOH AA 6 . ? 22.483 33.311 -1.418 1.00 65.48 ? 990 HOH A H1 1 HETATM 6687 H H2 . HOH AA 6 . ? 23.316 33.904 -2.525 1.00 65.48 ? 990 HOH A H2 1 HETATM 6688 O O . HOH AA 6 . ? 46.361 9.013 37.999 1.00 65.49 ? 991 HOH A O 1 HETATM 6689 H H1 . HOH AA 6 . ? 47.155 9.322 38.450 1.00 65.49 ? 991 HOH A H1 1 HETATM 6690 H H2 . HOH AA 6 . ? 45.969 8.400 38.632 1.00 65.49 ? 991 HOH A H2 1 HETATM 6691 O O . HOH AA 6 . ? 42.440 9.427 40.252 1.00 66.03 ? 992 HOH A O 1 HETATM 6692 H H1 . HOH AA 6 . ? 42.762 9.498 39.349 1.00 66.03 ? 992 HOH A H1 1 HETATM 6693 H H2 . HOH AA 6 . ? 42.250 8.473 40.263 1.00 66.03 ? 992 HOH A H2 1 HETATM 6694 O O . HOH AA 6 . ? 28.677 6.294 42.695 1.00 66.24 ? 993 HOH A O 1 HETATM 6695 H H1 . HOH AA 6 . ? 28.947 7.220 42.643 1.00 66.24 ? 993 HOH A H1 1 HETATM 6696 H H2 . HOH AA 6 . ? 27.727 6.329 42.885 1.00 66.24 ? 993 HOH A H2 1 HETATM 6697 O O . HOH AA 6 . ? 54.564 19.977 2.229 1.00 66.31 ? 994 HOH A O 1 HETATM 6698 H H1 . HOH AA 6 . ? 54.066 20.551 1.625 1.00 66.31 ? 994 HOH A H1 1 HETATM 6699 H H2 . HOH AA 6 . ? 55.013 20.627 2.795 1.00 66.31 ? 994 HOH A H2 1 HETATM 6700 O O . HOH AA 6 . ? 20.929 16.432 2.936 1.00 66.46 ? 995 HOH A O 1 HETATM 6701 H H1 . HOH AA 6 . ? 21.187 15.981 3.760 1.00 66.46 ? 995 HOH A H1 1 HETATM 6702 H H2 . HOH AA 6 . ? 21.584 16.073 2.330 1.00 66.46 ? 995 HOH A H2 1 HETATM 6703 O O . HOH AA 6 . ? 48.821 29.412 35.406 1.00 66.84 ? 996 HOH A O 1 HETATM 6704 H H1 . HOH AA 6 . ? 47.881 29.623 35.417 1.00 66.84 ? 996 HOH A H1 1 HETATM 6705 H H2 . HOH AA 6 . ? 49.243 30.264 35.237 1.00 66.84 ? 996 HOH A H2 1 HETATM 6706 O O . HOH AA 6 . ? 47.170 18.019 -4.318 1.00 66.99 ? 997 HOH A O 1 HETATM 6707 H H1 . HOH AA 6 . ? 46.625 18.811 -4.458 1.00 66.99 ? 997 HOH A H1 1 HETATM 6708 H H2 . HOH AA 6 . ? 47.809 18.305 -3.662 1.00 66.99 ? 997 HOH A H2 1 HETATM 6709 O O . HOH AA 6 . ? 64.438 15.028 23.048 1.00 67.03 ? 998 HOH A O 1 HETATM 6710 H H1 . HOH AA 6 . ? 64.306 15.074 22.094 1.00 67.03 ? 998 HOH A H1 1 HETATM 6711 H H2 . HOH AA 6 . ? 63.683 14.501 23.369 1.00 67.03 ? 998 HOH A H2 1 HETATM 6712 O O . HOH AA 6 . ? 69.388 40.458 27.662 1.00 67.07 ? 999 HOH A O 1 HETATM 6713 H H1 . HOH AA 6 . ? 68.839 39.710 27.972 1.00 67.07 ? 999 HOH A H1 1 HETATM 6714 H H2 . HOH AA 6 . ? 69.262 41.105 28.363 1.00 67.07 ? 999 HOH A H2 1 HETATM 6715 O O . HOH AA 6 . ? 57.885 27.502 0.717 1.00 67.22 ? 1000 HOH A O 1 HETATM 6716 H H1 . HOH AA 6 . ? 58.245 27.566 -0.168 1.00 67.22 ? 1000 HOH A H1 1 HETATM 6717 H H2 . HOH AA 6 . ? 58.529 26.962 1.200 1.00 67.22 ? 1000 HOH A H2 1 HETATM 6718 O O . HOH AA 6 . ? 49.185 4.079 35.767 1.00 67.25 ? 1001 HOH A O 1 HETATM 6719 H H1 . HOH AA 6 . ? 48.319 4.414 35.996 1.00 67.25 ? 1001 HOH A H1 1 HETATM 6720 H H2 . HOH AA 6 . ? 48.963 3.309 35.208 1.00 67.25 ? 1001 HOH A H2 1 HETATM 6721 O O . HOH AA 6 . ? 31.910 37.762 2.148 1.00 67.32 ? 1002 HOH A O 1 HETATM 6722 H H1 . HOH AA 6 . ? 32.262 36.862 2.092 1.00 67.32 ? 1002 HOH A H1 1 HETATM 6723 H H2 . HOH AA 6 . ? 32.707 38.300 2.190 1.00 67.32 ? 1002 HOH A H2 1 HETATM 6724 O O . HOH AA 6 . ? 15.484 23.741 40.218 1.00 67.38 ? 1003 HOH A O 1 HETATM 6725 H H1 . HOH AA 6 . ? 16.075 24.487 40.188 1.00 67.38 ? 1003 HOH A H1 1 HETATM 6726 H H2 . HOH AA 6 . ? 16.062 22.960 40.252 1.00 67.38 ? 1003 HOH A H2 1 HETATM 6727 O O . HOH AA 6 . ? 55.307 1.572 18.104 1.00 67.61 ? 1004 HOH A O 1 HETATM 6728 H H1 . HOH AA 6 . ? 56.011 2.121 17.745 1.00 67.61 ? 1004 HOH A H1 1 HETATM 6729 H H2 . HOH AA 6 . ? 55.228 1.906 19.026 1.00 67.61 ? 1004 HOH A H2 1 HETATM 6730 O O . HOH AA 6 . ? 19.741 37.433 22.989 1.00 67.98 ? 1005 HOH A O 1 HETATM 6731 H H1 . HOH AA 6 . ? 19.040 36.971 23.446 1.00 67.98 ? 1005 HOH A H1 1 HETATM 6732 H H2 . HOH AA 6 . ? 20.184 36.715 22.508 1.00 67.98 ? 1005 HOH A H2 1 HETATM 6733 O O . HOH AA 6 . ? 62.220 34.848 31.157 1.00 68.15 ? 1006 HOH A O 1 HETATM 6734 H H1 . HOH AA 6 . ? 61.469 34.269 30.938 1.00 68.15 ? 1006 HOH A H1 1 HETATM 6735 H H2 . HOH AA 6 . ? 62.944 34.231 31.258 1.00 68.15 ? 1006 HOH A H2 1 HETATM 6736 O O . HOH AA 6 . ? 56.614 -3.926 13.460 1.00 68.76 ? 1007 HOH A O 1 HETATM 6737 H H1 . HOH AA 6 . ? 56.341 -3.683 12.562 1.00 68.76 ? 1007 HOH A H1 1 HETATM 6738 H H2 . HOH AA 6 . ? 57.524 -3.642 13.484 1.00 68.76 ? 1007 HOH A H2 1 HETATM 6739 O O . HOH AA 6 . ? 14.729 3.496 14.592 1.00 68.82 ? 1008 HOH A O 1 HETATM 6740 H H1 . HOH AA 6 . ? 14.150 3.644 15.341 1.00 68.82 ? 1008 HOH A H1 1 HETATM 6741 H H2 . HOH AA 6 . ? 15.543 3.209 15.031 1.00 68.82 ? 1008 HOH A H2 1 HETATM 6742 O O . HOH AA 6 . ? 56.842 21.366 33.766 1.00 68.98 ? 1009 HOH A O 1 HETATM 6743 H H1 . HOH AA 6 . ? 56.865 20.410 33.907 1.00 68.98 ? 1009 HOH A H1 1 HETATM 6744 H H2 . HOH AA 6 . ? 56.236 21.460 33.015 1.00 68.98 ? 1009 HOH A H2 1 HETATM 6745 O O . HOH AA 6 . ? 20.561 12.294 45.952 1.00 69.17 ? 1010 HOH A O 1 HETATM 6746 H H1 . HOH AA 6 . ? 20.720 12.013 45.035 1.00 69.17 ? 1010 HOH A H1 1 HETATM 6747 H H2 . HOH AA 6 . ? 19.765 11.795 46.168 1.00 69.17 ? 1010 HOH A H2 1 HETATM 6748 O O . HOH AA 6 . ? 16.470 1.011 16.798 1.00 69.27 ? 1011 HOH A O 1 HETATM 6749 H H1 . HOH AA 6 . ? 17.144 0.833 17.475 1.00 69.27 ? 1011 HOH A H1 1 HETATM 6750 H H2 . HOH AA 6 . ? 16.083 0.145 16.677 1.00 69.27 ? 1011 HOH A H2 1 HETATM 6751 O O . HOH AA 6 . ? 36.953 42.019 -2.152 1.00 69.72 ? 1012 HOH A O 1 HETATM 6752 H H1 . HOH AA 6 . ? 37.224 41.307 -2.739 1.00 69.72 ? 1012 HOH A H1 1 HETATM 6753 H H2 . HOH AA 6 . ? 36.799 41.479 -1.359 1.00 69.72 ? 1012 HOH A H2 1 HETATM 6754 O O . HOH AA 6 . ? 14.420 16.648 9.179 1.00 69.84 ? 1013 HOH A O 1 HETATM 6755 H H1 . HOH AA 6 . ? 13.862 16.128 9.803 1.00 69.84 ? 1013 HOH A H1 1 HETATM 6756 H H2 . HOH AA 6 . ? 15.170 16.840 9.746 1.00 69.84 ? 1013 HOH A H2 1 HETATM 6757 O O . HOH AA 6 . ? 33.645 37.003 33.307 1.00 69.98 ? 1014 HOH A O 1 HETATM 6758 H H1 . HOH AA 6 . ? 32.903 36.399 33.186 1.00 69.98 ? 1014 HOH A H1 1 HETATM 6759 H H2 . HOH AA 6 . ? 33.771 36.951 34.267 1.00 69.98 ? 1014 HOH A H2 1 HETATM 6760 O O . HOH AA 6 . ? 51.086 20.901 -1.881 1.00 70.32 ? 1015 HOH A O 1 HETATM 6761 H H1 . HOH AA 6 . ? 50.983 21.627 -2.500 1.00 70.32 ? 1015 HOH A H1 1 HETATM 6762 H H2 . HOH AA 6 . ? 51.684 21.298 -1.211 1.00 70.32 ? 1015 HOH A H2 1 HETATM 6763 O O . HOH AA 6 . ? 57.518 -6.803 25.639 1.00 70.88 ? 1016 HOH A O 1 HETATM 6764 H H1 . HOH AA 6 . ? 57.681 -7.702 25.351 1.00 70.88 ? 1016 HOH A H1 1 HETATM 6765 H H2 . HOH AA 6 . ? 56.755 -6.537 25.110 1.00 70.88 ? 1016 HOH A H2 1 HETATM 6766 O O . HOH AA 6 . ? 38.759 14.175 45.161 1.00 71.06 ? 1017 HOH A O 1 HETATM 6767 H H1 . HOH AA 6 . ? 39.492 14.700 45.525 1.00 71.06 ? 1017 HOH A H1 1 HETATM 6768 H H2 . HOH AA 6 . ? 39.197 13.415 44.774 1.00 71.06 ? 1017 HOH A H2 1 HETATM 6769 O O . HOH AA 6 . ? 46.888 40.324 0.789 1.00 71.52 ? 1018 HOH A O 1 HETATM 6770 H H1 . HOH AA 6 . ? 46.053 40.696 1.092 1.00 71.52 ? 1018 HOH A H1 1 HETATM 6771 H H2 . HOH AA 6 . ? 46.674 39.993 -0.089 1.00 71.52 ? 1018 HOH A H2 1 HETATM 6772 O O . HOH AA 6 . ? 15.017 35.033 16.908 1.00 71.54 ? 1019 HOH A O 1 HETATM 6773 H H1 . HOH AA 6 . ? 15.085 34.279 17.519 1.00 71.54 ? 1019 HOH A H1 1 HETATM 6774 H H2 . HOH AA 6 . ? 15.927 35.103 16.598 1.00 71.54 ? 1019 HOH A H2 1 HETATM 6775 O O . HOH AA 6 . ? 45.741 -1.079 7.814 1.00 73.40 ? 1020 HOH A O 1 HETATM 6776 H H1 . HOH AA 6 . ? 44.852 -1.470 7.806 1.00 73.40 ? 1020 HOH A H1 1 HETATM 6777 H H2 . HOH AA 6 . ? 46.217 -1.678 8.423 1.00 73.40 ? 1020 HOH A H2 1 HETATM 6778 O O . HOH AA 6 . ? 47.935 42.795 6.371 1.00 74.82 ? 1021 HOH A O 1 HETATM 6779 H H1 . HOH AA 6 . ? 47.457 43.257 7.071 1.00 74.82 ? 1021 HOH A H1 1 HETATM 6780 H H2 . HOH AA 6 . ? 48.516 43.466 6.003 1.00 74.82 ? 1021 HOH A H2 1 HETATM 6781 O O . HOH AA 6 . ? 20.474 29.792 36.300 1.00 75.63 ? 1022 HOH A O 1 HETATM 6782 H H1 . HOH AA 6 . ? 20.699 29.516 37.197 1.00 75.63 ? 1022 HOH A H1 1 HETATM 6783 H H2 . HOH AA 6 . ? 19.775 29.151 36.101 1.00 75.63 ? 1022 HOH A H2 1 HETATM 6784 O O A HOH AA 6 . ? 23.560 18.149 43.970 0.42 4.35 ? 1023 HOH A O 1 HETATM 6785 H H1 A HOH AA 6 . ? 22.907 18.856 43.990 0.42 4.35 ? 1023 HOH A H1 1 HETATM 6786 H H2 A HOH AA 6 . ? 23.769 18.041 44.909 0.42 4.35 ? 1023 HOH A H2 1 HETATM 6787 O O A HOH AA 6 . ? 60.869 22.518 23.596 0.50 8.05 ? 1024 HOH A O 1 HETATM 6788 O O B HOH AA 6 . ? 61.304 20.542 23.739 0.50 13.88 ? 1024 HOH A O 1 HETATM 6789 H H1 A HOH AA 6 . ? 61.439 22.272 22.850 0.50 8.05 ? 1024 HOH A H1 1 HETATM 6790 H H1 B HOH AA 6 . ? 61.757 20.658 22.883 0.50 13.88 ? 1024 HOH A H1 1 HETATM 6791 H H2 A HOH AA 6 . ? 60.028 22.154 23.285 0.50 8.05 ? 1024 HOH A H2 1 HETATM 6792 H H2 B HOH AA 6 . ? 60.395 20.734 23.474 0.50 13.88 ? 1024 HOH A H2 1 HETATM 6793 O O A HOH AA 6 . ? 43.787 21.275 26.350 0.60 8.48 ? 1025 HOH A O 1 HETATM 6794 O O B HOH AA 6 . ? 43.004 23.004 25.472 0.40 15.61 ? 1025 HOH A O 1 HETATM 6795 H H1 A HOH AA 6 . ? 44.303 21.855 25.763 0.60 8.48 ? 1025 HOH A H1 1 HETATM 6796 H H1 B HOH AA 6 . ? 42.565 23.353 24.679 0.40 15.61 ? 1025 HOH A H1 1 HETATM 6797 H H2 A HOH AA 6 . ? 44.374 21.125 27.105 0.60 8.48 ? 1025 HOH A H2 1 HETATM 6798 H H2 B HOH AA 6 . ? 43.932 22.999 25.176 0.40 15.61 ? 1025 HOH A H2 1 HETATM 6799 O O A HOH AA 6 . ? 38.530 4.318 37.730 0.60 11.81 ? 1026 HOH A O 1 HETATM 6800 O O B HOH AA 6 . ? 38.821 2.654 37.437 0.40 11.77 ? 1026 HOH A O 1 HETATM 6801 H H1 A HOH AA 6 . ? 38.817 5.234 37.859 0.60 11.81 ? 1026 HOH A H1 1 HETATM 6802 H H1 B HOH AA 6 . ? 38.913 1.754 37.808 0.40 11.77 ? 1026 HOH A H1 1 HETATM 6803 H H2 A HOH AA 6 . ? 39.339 3.840 37.953 0.60 11.81 ? 1026 HOH A H2 1 HETATM 6804 H H2 B HOH AA 6 . ? 39.748 2.874 37.275 0.40 11.77 ? 1026 HOH A H2 1 HETATM 6805 O O A HOH AA 6 . ? 15.859 1.323 33.460 0.50 12.43 ? 1027 HOH A O 1 HETATM 6806 O O B HOH AA 6 . ? 16.518 1.971 31.565 0.50 29.71 ? 1027 HOH A O 1 HETATM 6807 H H1 A HOH AA 6 . ? 16.806 1.472 33.575 0.50 12.43 ? 1027 HOH A H1 1 HETATM 6808 H H1 B HOH AA 6 . ? 16.111 2.093 30.676 0.50 29.71 ? 1027 HOH A H1 1 HETATM 6809 H H2 A HOH AA 6 . ? 15.744 0.356 33.448 0.50 12.43 ? 1027 HOH A H2 1 HETATM 6810 H H2 B HOH AA 6 . ? 16.307 1.058 31.778 0.50 29.71 ? 1027 HOH A H2 1 HETATM 6811 O O A HOH AA 6 . ? 19.387 1.536 29.106 0.50 13.30 ? 1028 HOH A O 1 HETATM 6812 O O B HOH AA 6 . ? 18.913 1.786 30.288 0.50 11.51 ? 1028 HOH A O 1 HETATM 6813 H H1 A HOH AA 6 . ? 19.714 0.814 29.680 0.50 13.30 ? 1028 HOH A H1 1 HETATM 6814 H H1 B HOH AA 6 . ? 18.149 1.925 30.881 0.50 11.51 ? 1028 HOH A H1 1 HETATM 6815 H H2 A HOH AA 6 . ? 18.439 1.496 29.264 0.50 13.30 ? 1028 HOH A H2 1 HETATM 6816 H H2 B HOH AA 6 . ? 19.348 0.996 30.662 0.50 11.51 ? 1028 HOH A H2 1 HETATM 6817 O O A HOH AA 6 . ? 17.397 13.650 7.908 0.50 14.48 ? 1029 HOH A O 1 HETATM 6818 O O B HOH AA 6 . ? 17.251 15.473 7.988 0.50 21.98 ? 1029 HOH A O 1 HETATM 6819 H H1 A HOH AA 6 . ? 17.539 14.608 7.817 0.50 14.48 ? 1029 HOH A H1 1 HETATM 6820 H H1 B HOH AA 6 . ? 16.345 15.787 7.873 0.50 21.98 ? 1029 HOH A H1 1 HETATM 6821 H H2 A HOH AA 6 . ? 16.439 13.603 7.818 0.50 14.48 ? 1029 HOH A H2 1 HETATM 6822 H H2 B HOH AA 6 . ? 17.750 16.286 7.736 0.50 21.98 ? 1029 HOH A H2 1 HETATM 6823 O O A HOH AA 6 . ? 62.500 18.955 24.899 0.50 15.26 ? 1030 HOH A O 1 HETATM 6824 H H1 A HOH AA 6 . ? 63.399 18.600 24.778 0.50 15.26 ? 1030 HOH A H1 1 HETATM 6825 H H2 A HOH AA 6 . ? 62.574 19.258 25.821 0.50 15.26 ? 1030 HOH A H2 1 HETATM 6826 O O A HOH AA 6 . ? 28.832 21.208 2.798 0.50 16.53 ? 1031 HOH A O 1 HETATM 6827 O O B HOH AA 6 . ? 28.852 22.535 1.711 0.50 23.25 ? 1031 HOH A O 1 HETATM 6828 H H1 A HOH AA 6 . ? 29.468 20.908 3.465 0.50 16.53 ? 1031 HOH A H1 1 HETATM 6829 H H1 B HOH AA 6 . ? 29.645 22.373 2.247 0.50 23.25 ? 1031 HOH A H1 1 HETATM 6830 H H2 A HOH AA 6 . ? 29.369 21.862 2.334 0.50 16.53 ? 1031 HOH A H2 1 HETATM 6831 H H2 B HOH AA 6 . ? 29.131 22.359 0.811 0.50 23.25 ? 1031 HOH A H2 1 HETATM 6832 O O A HOH AA 6 . ? 20.527 0.486 23.203 0.60 16.61 ? 1032 HOH A O 1 HETATM 6833 O O B HOH AA 6 . ? 20.178 -1.473 21.919 0.40 27.68 ? 1032 HOH A O 1 HETATM 6834 H H1 A HOH AA 6 . ? 20.104 0.435 24.062 0.60 16.61 ? 1032 HOH A H1 1 HETATM 6835 H H1 B HOH AA 6 . ? 20.936 -1.705 22.472 0.40 27.68 ? 1032 HOH A H1 1 HETATM 6836 H H2 A HOH AA 6 . ? 20.998 -0.366 23.150 0.60 16.61 ? 1032 HOH A H2 1 HETATM 6837 H H2 B HOH AA 6 . ? 20.460 -1.691 21.029 0.40 27.68 ? 1032 HOH A H2 1 HETATM 6838 O O A HOH AA 6 . ? 41.541 14.271 35.776 0.50 17.82 ? 1033 HOH A O 1 HETATM 6839 O O B HOH AA 6 . ? 42.964 12.894 35.568 0.50 12.45 ? 1033 HOH A O 1 HETATM 6840 H H1 A HOH AA 6 . ? 42.180 13.962 35.124 0.50 17.82 ? 1033 HOH A H1 1 HETATM 6841 H H1 B HOH AA 6 . ? 43.770 12.362 35.488 0.50 12.45 ? 1033 HOH A H1 1 HETATM 6842 H H2 A HOH AA 6 . ? 42.048 14.921 36.273 0.50 17.82 ? 1033 HOH A H2 1 HETATM 6843 H H2 B HOH AA 6 . ? 43.278 13.734 35.892 0.50 12.45 ? 1033 HOH A H2 1 HETATM 6844 O O A HOH AA 6 . ? 72.099 29.169 20.406 0.50 18.68 ? 1034 HOH A O 1 HETATM 6845 O O B HOH AA 6 . ? 70.539 28.449 20.309 0.50 23.90 ? 1034 HOH A O 1 HETATM 6846 H H1 A HOH AA 6 . ? 71.834 29.814 21.070 0.50 18.68 ? 1034 HOH A H1 1 HETATM 6847 H H1 B HOH AA 6 . ? 71.041 29.273 20.261 0.50 23.90 ? 1034 HOH A H1 1 HETATM 6848 H H2 A HOH AA 6 . ? 72.029 28.329 20.888 0.50 18.68 ? 1034 HOH A H2 1 HETATM 6849 H H2 B HOH AA 6 . ? 71.055 27.925 20.943 0.50 23.90 ? 1034 HOH A H2 1 HETATM 6850 O O A HOH AA 6 . ? 26.541 19.623 3.679 0.50 19.47 ? 1035 HOH A O 1 HETATM 6851 O O B HOH AA 6 . ? 24.784 18.746 2.929 0.50 31.85 ? 1035 HOH A O 1 HETATM 6852 H H1 A HOH AA 6 . ? 27.366 20.131 3.579 0.50 19.47 ? 1035 HOH A H1 1 HETATM 6853 H H1 B HOH AA 6 . ? 23.846 19.029 2.952 0.50 31.85 ? 1035 HOH A H1 1 HETATM 6854 H H2 A HOH AA 6 . ? 25.905 20.268 3.296 0.50 19.47 ? 1035 HOH A H2 1 HETATM 6855 H H2 B HOH AA 6 . ? 25.185 19.607 2.706 0.50 31.85 ? 1035 HOH A H2 1 HETATM 6856 O O A HOH AA 6 . ? 18.353 5.855 38.117 0.50 20.33 ? 1036 HOH A O 1 HETATM 6857 O O B HOH AA 6 . ? 19.954 6.018 38.364 0.50 23.74 ? 1036 HOH A O 1 HETATM 6858 H H1 A HOH AA 6 . ? 18.382 4.890 38.027 0.50 20.33 ? 1036 HOH A H1 1 HETATM 6859 H H1 B HOH AA 6 . ? 20.171 5.226 38.898 0.50 23.74 ? 1036 HOH A H1 1 HETATM 6860 H H2 A HOH AA 6 . ? 17.712 5.947 38.840 0.50 20.33 ? 1036 HOH A H2 1 HETATM 6861 H H2 B HOH AA 6 . ? 18.988 5.927 38.352 0.50 23.74 ? 1036 HOH A H2 1 HETATM 6862 O O A HOH AA 6 . ? 56.747 6.003 15.196 0.60 22.08 ? 1037 HOH A O 1 HETATM 6863 O O B HOH AA 6 . ? 57.453 6.348 17.069 0.40 18.05 ? 1037 HOH A O 1 HETATM 6864 H H1 A HOH AA 6 . ? 56.913 6.606 14.457 0.60 22.08 ? 1037 HOH A H1 1 HETATM 6865 H H1 B HOH AA 6 . ? 58.058 7.080 16.920 0.40 18.05 ? 1037 HOH A H1 1 HETATM 6866 H H2 A HOH AA 6 . ? 56.088 6.486 15.709 0.60 22.08 ? 1037 HOH A H2 1 HETATM 6867 H H2 B HOH AA 6 . ? 56.631 6.631 16.655 0.40 18.05 ? 1037 HOH A H2 1 HETATM 6868 O O A HOH AA 6 . ? 14.824 31.218 19.839 0.50 22.38 ? 1038 HOH A O 1 HETATM 6869 O O B HOH AA 6 . ? 15.581 32.737 18.742 0.50 19.76 ? 1038 HOH A O 1 HETATM 6870 H H1 A HOH AA 6 . ? 14.359 31.897 20.368 0.50 22.38 ? 1038 HOH A H1 1 HETATM 6871 H H1 B HOH AA 6 . ? 14.986 32.098 19.146 0.50 19.76 ? 1038 HOH A H1 1 HETATM 6872 H H2 A HOH AA 6 . ? 14.751 30.461 20.430 0.50 22.38 ? 1038 HOH A H2 1 HETATM 6873 H H2 B HOH AA 6 . ? 15.575 33.436 19.422 0.50 19.76 ? 1038 HOH A H2 1 HETATM 6874 O O A HOH AA 6 . ? 47.429 1.129 8.869 0.60 22.97 ? 1039 HOH A O 1 HETATM 6875 O O B HOH AA 6 . ? 47.286 1.210 6.873 0.40 24.45 ? 1039 HOH A O 1 HETATM 6876 H H1 A HOH AA 6 . ? 46.834 0.536 8.366 0.60 22.97 ? 1039 HOH A H1 1 HETATM 6877 H H1 B HOH AA 6 . ? 46.907 0.333 7.091 0.40 24.45 ? 1039 HOH A H1 1 HETATM 6878 H H2 A HOH AA 6 . ? 46.839 1.440 9.571 0.60 22.97 ? 1039 HOH A H2 1 HETATM 6879 H H2 B HOH AA 6 . ? 46.456 1.714 6.864 0.40 24.45 ? 1039 HOH A H2 1 HETATM 6880 O O A HOH AA 6 . ? 36.803 15.999 40.098 0.60 23.09 ? 1040 HOH A O 1 HETATM 6881 O O B HOH AA 6 . ? 36.865 17.063 41.502 0.40 23.09 ? 1040 HOH A O 1 HETATM 6882 H H1 A HOH AA 6 . ? 36.711 15.536 40.936 0.60 23.09 ? 1040 HOH A H1 1 HETATM 6883 H H1 B HOH AA 6 . ? 37.639 17.599 41.277 0.40 23.09 ? 1040 HOH A H1 1 HETATM 6884 H H2 A HOH AA 6 . ? 37.045 16.897 40.379 0.60 23.09 ? 1040 HOH A H2 1 HETATM 6885 H H2 B HOH AA 6 . ? 36.322 17.712 41.969 0.40 23.09 ? 1040 HOH A H2 1 HETATM 6886 O O A HOH AA 6 . ? 13.536 14.903 11.247 0.60 25.15 ? 1041 HOH A O 1 HETATM 6887 O O B HOH AA 6 . ? 12.822 16.666 11.991 0.40 24.75 ? 1041 HOH A O 1 HETATM 6888 H H1 A HOH AA 6 . ? 13.788 13.957 11.311 0.60 25.15 ? 1041 HOH A H1 1 HETATM 6889 H H1 B HOH AA 6 . ? 13.313 15.955 12.432 0.40 24.75 ? 1041 HOH A H1 1 HETATM 6890 H H2 A HOH AA 6 . ? 13.723 15.193 12.148 0.60 25.15 ? 1041 HOH A H2 1 HETATM 6891 H H2 B HOH AA 6 . ? 12.459 17.149 12.739 0.40 24.75 ? 1041 HOH A H2 1 HETATM 6892 O O A HOH AA 6 . ? 42.567 7.124 37.794 0.50 26.59 ? 1042 HOH A O 1 HETATM 6893 O O B HOH AA 6 . ? 41.481 6.501 39.045 0.50 21.88 ? 1042 HOH A O 1 HETATM 6894 H H1 A HOH AA 6 . ? 42.226 6.234 37.606 0.50 26.59 ? 1042 HOH A H1 1 HETATM 6895 H H1 B HOH AA 6 . ? 40.865 6.521 38.297 0.50 21.88 ? 1042 HOH A H1 1 HETATM 6896 H H2 A HOH AA 6 . ? 42.878 7.398 36.911 0.50 26.59 ? 1042 HOH A H2 1 HETATM 6897 H H2 B HOH AA 6 . ? 41.828 5.590 38.923 0.50 21.88 ? 1042 HOH A H2 1 HETATM 6898 O O A HOH AA 6 . ? 43.441 20.636 -4.259 0.60 26.91 ? 1043 HOH A O 1 HETATM 6899 O O B HOH AA 6 . ? 42.635 22.383 -4.373 0.40 19.86 ? 1043 HOH A O 1 HETATM 6900 H H1 A HOH AA 6 . ? 42.980 21.115 -3.559 0.60 26.91 ? 1043 HOH A H1 1 HETATM 6901 H H1 B HOH AA 6 . ? 42.370 21.979 -3.536 0.40 19.86 ? 1043 HOH A H1 1 HETATM 6902 H H2 A HOH AA 6 . ? 43.266 19.718 -4.032 0.60 26.91 ? 1043 HOH A H2 1 HETATM 6903 H H2 B HOH AA 6 . ? 42.717 23.307 -4.112 0.40 19.86 ? 1043 HOH A H2 1 HETATM 6904 O O A HOH AA 6 . ? 28.607 11.123 2.655 0.63 27.09 ? 1044 HOH A O 1 HETATM 6905 H H1 A HOH AA 6 . ? 28.744 12.047 2.906 0.63 27.09 ? 1044 HOH A H1 1 HETATM 6906 H H2 A HOH AA 6 . ? 29.495 10.764 2.825 0.63 27.09 ? 1044 HOH A H2 1 HETATM 6907 O O A HOH AA 6 . ? 52.062 26.355 -5.811 0.50 34.15 ? 1045 HOH A O 1 HETATM 6908 O O B HOH AA 6 . ? 49.643 27.116 -6.094 0.50 35.52 ? 1045 HOH A O 1 HETATM 6909 H H1 A HOH AA 6 . ? 53.000 26.492 -5.941 0.50 34.15 ? 1045 HOH A H1 1 HETATM 6910 H H1 B HOH AA 6 . ? 49.771 28.075 -5.945 0.50 35.52 ? 1045 HOH A H1 1 HETATM 6911 H H2 A HOH AA 6 . ? 51.838 27.048 -5.176 0.50 34.15 ? 1045 HOH A H2 1 HETATM 6912 H H2 B HOH AA 6 . ? 50.452 26.748 -5.735 0.50 35.52 ? 1045 HOH A H2 1 HETATM 6913 O O A HOH AA 6 . ? 27.679 17.868 1.452 0.63 40.65 ? 1046 HOH A O 1 HETATM 6914 H H1 A HOH AA 6 . ? 27.375 18.576 2.044 0.63 40.65 ? 1046 HOH A H1 1 HETATM 6915 H H2 A HOH AA 6 . ? 28.615 18.081 1.349 0.63 40.65 ? 1046 HOH A H2 1 HETATM 6916 O O A HOH AA 6 . ? 43.170 -5.579 27.737 0.50 47.69 ? 1047 HOH A O 1 HETATM 6917 H H1 A HOH AA 6 . ? 42.214 -5.590 27.808 0.50 47.69 ? 1047 HOH A H1 1 HETATM 6918 H H2 A HOH AA 6 . ? 43.383 -6.512 27.577 0.50 47.69 ? 1047 HOH A H2 1 HETATM 6919 O O B HOH AA 6 . ? 45.468 20.496 -4.645 0.40 27.20 ? 1048 HOH A O 1 HETATM 6920 H H1 B HOH AA 6 . ? 45.546 20.880 -5.518 0.40 27.20 ? 1048 HOH A H1 1 HETATM 6921 H H2 B HOH AA 6 . ? 44.501 20.459 -4.531 0.40 27.20 ? 1048 HOH A H2 1 HETATM 6922 O O B HOH AA 6 . ? 66.305 35.532 29.542 0.50 14.05 ? 1049 HOH A O 1 HETATM 6923 H H1 B HOH AA 6 . ? 66.865 34.827 29.203 0.50 14.05 ? 1049 HOH A H1 1 HETATM 6924 H H2 B HOH AA 6 . ? 65.626 35.049 30.033 0.50 14.05 ? 1049 HOH A H2 1 HETATM 6925 O O B HOH AA 6 . ? 72.243 31.352 20.831 0.50 8.37 ? 1050 HOH A O 1 HETATM 6926 H H1 B HOH AA 6 . ? 71.687 32.133 20.658 0.50 8.37 ? 1050 HOH A H1 1 HETATM 6927 H H2 B HOH AA 6 . ? 71.989 31.151 21.740 0.50 8.37 ? 1050 HOH A H2 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ALA 1 1 1 ALA ALA A . n A 1 2 THR 2 2 2 THR THR A . n A 1 3 LEU 3 3 3 LEU LEU A . n A 1 4 ASP 4 4 4 ASP ASP A . n A 1 5 SER 5 5 5 SER SER A . n A 1 6 TRP 6 6 6 TRP TRP A . n A 1 7 LEU 7 7 7 LEU LEU A . n A 1 8 SER 8 8 8 SER SER A . n A 1 9 ASN 9 9 9 ASN ASN A . n A 1 10 GLU 10 10 10 GLU GLU A . n A 1 11 ALA 11 11 11 ALA ALA A . n A 1 12 THR 12 12 12 THR THR A . n A 1 13 VAL 13 13 13 VAL VAL A . n A 1 14 ALA 14 14 14 ALA ALA A . n A 1 15 ARG 15 15 15 ARG ARG A . n A 1 16 THR 16 16 16 THR THR A . n A 1 17 ALA 17 17 17 ALA ALA A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 LEU 19 19 19 LEU LEU A . n A 1 20 ASN 20 20 20 ASN ASN A . n A 1 21 ASN 21 21 21 ASN ASN A . n A 1 22 ILE 22 22 22 ILE ILE A . n A 1 23 GLY 23 23 23 GLY GLY A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 ASP 25 25 25 ASP ASP A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 ALA 27 27 27 ALA ALA A . n A 1 28 TRP 28 28 28 TRP TRP A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 SER 30 30 30 SER SER A . n A 1 31 GLY 31 31 31 GLY GLY A . n A 1 32 ALA 32 32 32 ALA ALA A . n A 1 33 ASP 33 33 33 ASP ASP A . n A 1 34 SER 34 34 34 SER SER A . n A 1 35 GLY 35 35 35 GLY GLY A . n A 1 36 ILE 36 36 36 ILE ILE A . n A 1 37 VAL 37 37 37 VAL VAL A . n A 1 38 VAL 38 38 38 VAL VAL A . n A 1 39 ALA 39 39 39 ALA ALA A . n A 1 40 SER 40 40 40 SER SER A . n A 1 41 PRO 41 41 41 PRO PRO A . n A 1 42 SER 42 42 42 SER SER A . n A 1 43 THR 43 43 43 THR THR A . n A 1 44 ASP 44 44 44 ASP ASP A . n A 1 45 ASN 45 45 45 ASN ASN A . n A 1 46 PRO 46 46 46 PRO PRO A . n A 1 47 ASP 47 47 47 ASP ASP A . n A 1 48 TYR 48 48 48 TYR TYR A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 TYR 50 50 50 TYR TYR A . n A 1 51 THR 51 51 51 THR THR A . n A 1 52 TRP 52 52 52 TRP TRP A . n A 1 53 THR 53 53 53 THR THR A . n A 1 54 ARG 54 54 54 ARG ARG A . n A 1 55 ASP 55 55 55 ASP ASP A . n A 1 56 SER 56 56 56 SER SER A . n A 1 57 GLY 57 57 57 GLY GLY A . n A 1 58 LEU 58 58 58 LEU LEU A . n A 1 59 VAL 59 59 59 VAL VAL A . n A 1 60 ILE 60 60 60 ILE ILE A . n A 1 61 LYS 61 61 61 LYS LYS A . n A 1 62 THR 62 62 62 THR THR A . n A 1 63 LEU 63 63 63 LEU LEU A . n A 1 64 VAL 64 64 64 VAL VAL A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 LEU 66 66 66 LEU LEU A . n A 1 67 PHE 67 67 67 PHE PHE A . n A 1 68 ARG 68 68 68 ARG ARG A . n A 1 69 ASN 69 69 69 ASN ASN A . n A 1 70 GLY 70 70 70 GLY GLY A . n A 1 71 ASP 71 71 71 ASP ASP A . n A 1 72 THR 72 72 72 THR THR A . n A 1 73 ASP 73 73 73 ASP ASP A . n A 1 74 LEU 74 74 74 LEU LEU A . n A 1 75 LEU 75 75 75 LEU LEU A . n A 1 76 SER 76 76 76 SER SER A . n A 1 77 THR 77 77 77 THR THR A . n A 1 78 ILE 78 78 78 ILE ILE A . n A 1 79 GLU 79 79 79 GLU GLU A . n A 1 80 HIS 80 80 80 HIS HIS A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 ILE 82 82 82 ILE ILE A . n A 1 83 SER 83 83 83 SER SER A . n A 1 84 SER 84 84 84 SER SER A . n A 1 85 GLN 85 85 85 GLN GLN A . n A 1 86 ALA 86 86 86 ALA ALA A . n A 1 87 ILE 87 87 87 ILE ILE A . n A 1 88 ILE 88 88 88 ILE ILE A . n A 1 89 GLN 89 89 89 GLN GLN A . n A 1 90 GLY 90 90 90 GLY GLY A . n A 1 91 VAL 91 91 91 VAL VAL A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 ASN 93 93 93 ASN ASN A . n A 1 94 PRO 94 94 94 PRO PRO A . n A 1 95 SER 95 95 95 SER SER A . n A 1 96 GLY 96 96 96 GLY GLY A . n A 1 97 ASP 97 97 97 ASP ASP A . n A 1 98 LEU 98 98 98 LEU LEU A . n A 1 99 SER 99 99 99 SER SER A . n A 1 100 SER 100 100 100 SER SER A . n A 1 101 GLY 101 101 101 GLY GLY A . n A 1 102 GLY 102 103 103 GLY GLY A . n A 1 103 LEU 103 104 104 LEU LEU A . n A 1 104 GLY 104 105 105 GLY GLY A . n A 1 105 GLU 105 106 106 GLU GLU A . n A 1 106 PRO 106 107 107 PRO PRO A . n A 1 107 LYS 107 108 108 LYS LYS A . n A 1 108 PHE 108 109 109 PHE PHE A . n A 1 109 ASN 109 110 110 ASN ASN A . n A 1 110 VAL 110 111 111 VAL VAL A . n A 1 111 ASP 111 112 112 ASP ASP A . n A 1 112 GLU 112 113 113 GLU GLU A . n A 1 113 THR 113 114 114 THR THR A . n A 1 114 ALA 114 115 115 ALA ALA A . n A 1 115 TYR 115 116 116 TYR TYR A . n A 1 116 THR 116 117 117 THR THR A . n A 1 117 GLY 117 118 118 GLY GLY A . n A 1 118 SER 118 119 119 SER SER A . n A 1 119 TRP 119 120 120 TRP TRP A . n A 1 120 GLY 120 121 121 GLY GLY A . n A 1 121 ARG 121 122 122 ARG ARG A . n A 1 122 PRO 122 123 123 PRO PRO A . n A 1 123 GLN 123 124 124 GLN GLN A . n A 1 124 ARG 124 125 125 ARG ARG A . n A 1 125 ASP 125 126 126 ASP ASP A . n A 1 126 GLY 126 127 127 GLY GLY A . n A 1 127 PRO 127 128 128 PRO PRO A . n A 1 128 ALA 128 129 129 ALA ALA A . n A 1 129 LEU 129 130 130 LEU LEU A . n A 1 130 ARG 130 131 131 ARG ARG A . n A 1 131 ALA 131 132 132 ALA ALA A . n A 1 132 THR 132 133 133 THR THR A . n A 1 133 ALA 133 134 134 ALA ALA A . n A 1 134 MET 134 135 135 MET MET A . n A 1 135 ILE 135 136 136 ILE ILE A . n A 1 136 GLY 136 137 137 GLY GLY A . n A 1 137 PHE 137 138 138 PHE PHE A . n A 1 138 GLY 138 139 139 GLY GLY A . n A 1 139 GLN 139 140 140 GLN GLN A . n A 1 140 TRP 140 141 141 TRP TRP A . n A 1 141 LEU 141 142 142 LEU LEU A . n A 1 142 LEU 142 143 143 LEU LEU A . n A 1 143 ASP 143 144 144 ASP ASP A . n A 1 144 ASN 144 145 145 ASN ASN A . n A 1 145 GLY 145 146 146 GLY GLY A . n A 1 146 TYR 146 147 147 TYR TYR A . n A 1 147 THR 147 148 148 THR THR A . n A 1 148 SER 148 149 149 SER SER A . n A 1 149 ALA 149 150 150 ALA ALA A . n A 1 150 ALA 150 151 151 ALA ALA A . n A 1 151 THR 151 152 152 THR THR A . n A 1 152 GLU 152 153 153 GLU GLU A . n A 1 153 ILE 153 154 154 ILE ILE A . n A 1 154 VAL 154 155 155 VAL VAL A . n A 1 155 TRP 155 156 156 TRP TRP A . n A 1 156 PRO 156 157 157 PRO PRO A . n A 1 157 LEU 157 158 158 LEU LEU A . n A 1 158 VAL 158 159 159 VAL VAL A . n A 1 159 ARG 159 160 160 ARG ARG A . n A 1 160 ASN 160 161 161 ASN ASN A . n A 1 161 ASP 161 162 162 ASP ASP A . n A 1 162 LEU 162 163 163 LEU LEU A . n A 1 163 SER 163 164 164 SER SER A . n A 1 164 TYR 164 165 165 TYR TYR A . n A 1 165 VAL 165 166 166 VAL VAL A . n A 1 166 ALA 166 167 167 ALA ALA A . n A 1 167 GLN 167 168 168 GLN GLN A . n A 1 168 TYR 168 169 169 TYR TYR A . n A 1 169 TRP 169 170 170 TRP TRP A . n A 1 170 ASN 170 171 171 ASN ASN A . n A 1 171 GLN 171 172 172 GLN GLN A . n A 1 172 THR 172 173 173 THR THR A . n A 1 173 GLY 173 174 174 GLY GLY A . n A 1 174 TYR 174 175 175 TYR TYR A . n A 1 175 ASP 175 176 176 ASP ASP A . n A 1 176 LEU 176 177 177 LEU LEU A . n A 1 177 TRP 177 178 178 TRP TRP A . n A 1 178 GLU 178 179 179 GLU GLU A . n A 1 179 GLU 179 180 180 GLU GLU A . n A 1 180 VAL 180 181 181 VAL VAL A . n A 1 181 ASN 181 182 182 ASN ASN A . n A 1 182 GLY 182 183 183 GLY GLY A . n A 1 183 SER 183 184 184 SER SER A . n A 1 184 SER 184 185 185 SER SER A . n A 1 185 PHE 185 186 186 PHE PHE A . n A 1 186 PHE 186 187 187 PHE PHE A . n A 1 187 THR 187 188 188 THR THR A . n A 1 188 ILE 188 189 189 ILE ILE A . n A 1 189 ALA 189 190 190 ALA ALA A . n A 1 190 VAL 190 191 191 VAL VAL A . n A 1 191 GLN 191 192 192 GLN GLN A . n A 1 192 HIS 192 193 193 HIS HIS A . n A 1 193 ARG 193 194 194 ARG ARG A . n A 1 194 ALA 194 195 195 ALA ALA A . n A 1 195 LEU 195 196 196 LEU LEU A . n A 1 196 VAL 196 197 197 VAL VAL A . n A 1 197 GLU 197 198 198 GLU GLU A . n A 1 198 GLY 198 199 199 GLY GLY A . n A 1 199 SER 199 200 200 SER SER A . n A 1 200 ALA 200 201 201 ALA ALA A . n A 1 201 PHE 201 202 202 PHE PHE A . n A 1 202 ALA 202 203 203 ALA ALA A . n A 1 203 THR 203 204 204 THR THR A . n A 1 204 ALA 204 205 205 ALA ALA A . n A 1 205 VAL 205 206 206 VAL VAL A . n A 1 206 GLY 206 207 207 GLY GLY A . n A 1 207 SER 207 208 208 SER SER A . n A 1 208 SER 208 209 209 SER SER A . n A 1 209 CYS 209 210 210 CYS CYS A . n A 1 210 SER 210 211 211 SER SER A . n A 1 211 TRP 211 212 212 TRP TRP A . n A 1 212 CYS 212 213 213 CYS CYS A . n A 1 213 ASP 213 214 214 ASP ASP A . n A 1 214 SER 214 215 215 SER SER A . n A 1 215 GLN 215 216 216 GLN GLN A . n A 1 216 ALA 216 217 217 ALA ALA A . n A 1 217 PRO 217 218 218 PRO PRO A . n A 1 218 GLN 218 219 219 GLN GLN A . n A 1 219 ILE 219 220 220 ILE ILE A . n A 1 220 LEU 220 221 221 LEU LEU A . n A 1 221 CYS 221 222 222 CYS CYS A . n A 1 222 TYR 222 223 223 TYR TYR A . n A 1 223 LEU 223 224 224 LEU LEU A . n A 1 224 GLN 224 225 225 GLN GLN A . n A 1 225 SER 225 226 226 SER SER A . n A 1 226 PHE 226 227 227 PHE PHE A . n A 1 227 TRP 227 228 228 TRP TRP A . n A 1 228 THR 228 229 229 THR THR A . n A 1 229 GLY 229 230 230 GLY GLY A . n A 1 230 SER 230 231 231 SER SER A . n A 1 231 TYR 231 232 232 TYR TYR A . n A 1 232 ILE 232 233 233 ILE ILE A . n A 1 233 LEU 233 234 234 LEU LEU A . n A 1 234 ALA 234 235 235 ALA ALA A . n A 1 235 ASN 235 236 236 ASN ASN A . n A 1 236 PHE 236 237 237 PHE PHE A . n A 1 237 ASP 237 238 238 ASP ASP A . n A 1 238 SER 238 239 239 SER SER A . n A 1 239 SER 239 240 240 SER SER A . n A 1 240 ARG 240 241 241 ARG ARG A . n A 1 241 SER 241 242 242 SER SER A . n A 1 242 GLY 242 243 243 GLY GLY A . n A 1 243 LYS 243 244 244 LYS LYS A . n A 1 244 ASP 244 245 245 ASP ASP A . n A 1 245 THR 245 246 246 THR THR A . n A 1 246 ASN 246 247 247 ASN ASN A . n A 1 247 THR 247 248 248 THR THR A . n A 1 248 LEU 248 249 249 LEU LEU A . n A 1 249 LEU 249 250 250 LEU LEU A . n A 1 250 GLY 250 251 251 GLY GLY A . n A 1 251 SER 251 252 252 SER SER A . n A 1 252 ILE 252 253 253 ILE ILE A . n A 1 253 HIS 253 254 254 HIS HIS A . n A 1 254 THR 254 255 255 THR THR A . n A 1 255 PHE 255 256 256 PHE PHE A . n A 1 256 ASP 256 257 257 ASP ASP A . n A 1 257 PRO 257 258 258 PRO PRO A . n A 1 258 GLU 258 259 259 GLU GLU A . n A 1 259 ALA 259 260 260 ALA ALA A . n A 1 260 GLY 260 261 261 GLY GLY A . n A 1 261 CYS 261 262 262 CYS CYS A . n A 1 262 ASP 262 263 263 ASP ASP A . n A 1 263 ASP 263 264 264 ASP ASP A . n A 1 264 SER 264 265 265 SER SER A . n A 1 265 THR 265 266 266 THR THR A . n A 1 266 PHE 266 267 267 PHE PHE A . n A 1 267 GLN 267 268 268 GLN GLN A . n A 1 268 PRO 268 269 269 PRO PRO A . n A 1 269 CYS 269 270 270 CYS CYS A . n A 1 270 SER 270 271 271 SER SER A . n A 1 271 PRO 271 272 272 PRO PRO A . n A 1 272 ARG 272 273 273 ARG ARG A . n A 1 273 ALA 273 274 274 ALA ALA A . n A 1 274 LEU 274 275 275 LEU LEU A . n A 1 275 ALA 275 276 276 ALA ALA A . n A 1 276 ASN 276 277 277 ASN ASN A . n A 1 277 HIS 277 278 278 HIS HIS A . n A 1 278 LYS 278 279 279 LYS LYS A . n A 1 279 GLU 279 280 280 GLU GLU A . n A 1 280 VAL 280 281 281 VAL VAL A . n A 1 281 VAL 281 282 282 VAL VAL A . n A 1 282 ASP 282 283 283 ASP ASP A . n A 1 283 SER 283 284 284 SER SER A . n A 1 284 PHE 284 285 285 PHE PHE A . n A 1 285 ARG 285 286 286 ARG ARG A . n A 1 286 SER 286 287 287 SER SER A . n A 1 287 ILE 287 288 288 ILE ILE A . n A 1 288 TYR 288 289 289 TYR TYR A . n A 1 289 THR 289 290 290 THR THR A . n A 1 290 LEU 290 291 291 LEU LEU A . n A 1 291 ASN 291 292 292 ASN ASN A . n A 1 292 ASP 292 293 293 ASP ASP A . n A 1 293 GLY 293 294 294 GLY GLY A . n A 1 294 LEU 294 295 295 LEU LEU A . n A 1 295 SER 295 296 296 SER SER A . n A 1 296 ASP 296 297 297 ASP ASP A . n A 1 297 SER 297 298 298 SER SER A . n A 1 298 GLU 298 299 299 GLU GLU A . n A 1 299 ALA 299 300 300 ALA ALA A . n A 1 300 VAL 300 301 301 VAL VAL A . n A 1 301 ALA 301 302 302 ALA ALA A . n A 1 302 VAL 302 303 303 VAL VAL A . n A 1 303 GLY 303 304 304 GLY GLY A . n A 1 304 ARG 304 305 305 ARG ARG A . n A 1 305 TYR 305 306 306 TYR TYR A . n A 1 306 PRO 306 307 307 PRO PRO A . n A 1 307 GLU 307 308 308 GLU GLU A . n A 1 308 ASP 308 309 309 ASP ASP A . n A 1 309 SER 309 310 310 SER SER A . n A 1 310 TYR 310 311 311 TYR TYR A . n A 1 311 TYR 311 312 312 TYR TYR A . n A 1 312 ASN 312 313 313 ASN ASN A . n A 1 313 GLY 313 314 314 GLY GLY A . n A 1 314 ASN 314 315 315 ASN ASN A . n A 1 315 PRO 315 316 316 PRO PRO A . n A 1 316 TRP 316 317 317 TRP TRP A . n A 1 317 PHE 317 318 318 PHE PHE A . n A 1 318 LEU 318 319 319 LEU LEU A . n A 1 319 CYS 319 320 320 CYS CYS A . n A 1 320 THR 320 321 321 THR THR A . n A 1 321 LEU 321 322 322 LEU LEU A . n A 1 322 ALA 322 323 323 ALA ALA A . n A 1 323 ALA 323 324 324 ALA ALA A . n A 1 324 ALA 324 325 325 ALA ALA A . n A 1 325 GLU 325 326 326 GLU GLU A . n A 1 326 GLN 326 327 327 GLN GLN A . n A 1 327 LEU 327 328 328 LEU LEU A . n A 1 328 TYR 328 329 329 TYR TYR A . n A 1 329 ASP 329 330 330 ASP ASP A . n A 1 330 ALA 330 331 331 ALA ALA A . n A 1 331 LEU 331 332 332 LEU LEU A . n A 1 332 TYR 332 333 333 TYR TYR A . n A 1 333 GLN 333 334 334 GLN GLN A . n A 1 334 TRP 334 335 335 TRP TRP A . n A 1 335 ASP 335 336 336 ASP ASP A . n A 1 336 LYS 336 337 337 LYS LYS A . n A 1 337 GLN 337 338 338 GLN GLN A . n A 1 338 GLY 338 339 339 GLY GLY A . n A 1 339 SER 339 340 340 SER SER A . n A 1 340 LEU 340 341 341 LEU LEU A . n A 1 341 GLU 341 342 342 GLU GLU A . n A 1 342 ILE 342 343 343 ILE ILE A . n A 1 343 THR 343 344 344 THR THR A . n A 1 344 ASP 344 345 345 ASP ASP A . n A 1 345 VAL 345 346 346 VAL VAL A . n A 1 346 SER 346 347 347 SER SER A . n A 1 347 LEU 347 348 348 LEU LEU A . n A 1 348 ASP 348 349 349 ASP ASP A . n A 1 349 PHE 349 350 350 PHE PHE A . n A 1 350 PHE 350 351 351 PHE PHE A . n A 1 351 LYS 351 352 352 LYS LYS A . n A 1 352 ALA 352 353 353 ALA ALA A . n A 1 353 LEU 353 354 354 LEU LEU A . n A 1 354 TYR 354 355 355 TYR TYR A . n A 1 355 SER 355 356 356 SER SER A . n A 1 356 GLY 356 357 357 GLY GLY A . n A 1 357 ALA 357 358 358 ALA ALA A . n A 1 358 ALA 358 359 359 ALA ALA A . n A 1 359 THR 359 360 360 THR THR A . n A 1 360 GLY 360 361 361 GLY GLY A . n A 1 361 THR 361 362 362 THR THR A . n A 1 362 TYR 362 363 363 TYR TYR A . n A 1 363 SER 363 364 364 SER SER A . n A 1 364 SER 364 365 365 SER SER A . n A 1 365 SER 365 366 366 SER SER A . n A 1 366 SER 366 367 367 SER SER A . n A 1 367 SER 367 368 368 SER SER A . n A 1 368 THR 368 369 369 THR THR A . n A 1 369 TYR 369 370 370 TYR TYR A . n A 1 370 SER 370 371 371 SER SER A . n A 1 371 SER 371 372 372 SER SER A . n A 1 372 ILE 372 373 373 ILE ILE A . n A 1 373 VAL 373 374 374 VAL VAL A . n A 1 374 SER 374 375 375 SER SER A . n A 1 375 ALA 375 376 376 ALA ALA A . n A 1 376 VAL 376 377 377 VAL VAL A . n A 1 377 LYS 377 378 378 LYS LYS A . n A 1 378 THR 378 379 379 THR THR A . n A 1 379 PHE 379 380 380 PHE PHE A . n A 1 380 ALA 380 381 381 ALA ALA A . n A 1 381 ASP 381 382 382 ASP ASP A . n A 1 382 GLY 382 383 383 GLY GLY A . n A 1 383 PHE 383 384 384 PHE PHE A . n A 1 384 VAL 384 385 385 VAL VAL A . n A 1 385 SER 385 386 386 SER SER A . n A 1 386 ILE 386 387 387 ILE ILE A . n A 1 387 VAL 387 388 388 VAL VAL A . n A 1 388 GLU 388 389 389 GLU GLU A . n A 1 389 THR 389 390 390 THR THR A . n A 1 390 HIS 390 391 391 HIS HIS A . n A 1 391 ALA 391 392 392 ALA ALA A . n A 1 392 ALA 392 393 393 ALA ALA A . n A 1 393 SER 393 394 394 SER SER A . n A 1 394 ASN 394 395 395 ASN ASN A . n A 1 395 GLY 395 396 396 GLY GLY A . n A 1 396 SER 396 397 397 SER SER A . n A 1 397 LEU 397 398 398 LEU LEU A . n A 1 398 SER 398 399 399 SER SER A . n A 1 399 GLU 399 400 400 GLU GLU A . n A 1 400 GLN 400 401 401 GLN GLN A . n A 1 401 PHE 401 402 402 PHE PHE A . n A 1 402 ASP 402 403 403 ASP ASP A . n A 1 403 LYS 403 404 404 LYS LYS A . n A 1 404 SER 404 405 405 SER SER A . n A 1 405 ASP 405 406 406 ASP ASP A . n A 1 406 GLY 406 407 407 GLY GLY A . n A 1 407 ASP 407 408 408 ASP ASP A . n A 1 408 GLU 408 409 409 GLU GLU A . n A 1 409 LEU 409 410 410 LEU LEU A . n A 1 410 SER 410 411 411 SER SER A . n A 1 411 ALA 411 412 412 ALA ALA A . n A 1 412 ARG 412 413 413 ARG ARG A . n A 1 413 ASP 413 414 414 ASP ASP A . n A 1 414 LEU 414 415 415 LEU LEU A . n A 1 415 THR 415 416 416 THR THR A . n A 1 416 TRP 416 417 417 TRP TRP A . n A 1 417 SER 417 418 418 SER SER A . n A 1 418 TYR 418 419 419 TYR TYR A . n A 1 419 ALA 419 420 420 ALA ALA A . n A 1 420 ALA 420 421 421 ALA ALA A . n A 1 421 LEU 421 422 422 LEU LEU A . n A 1 422 LEU 422 423 423 LEU LEU A . n A 1 423 THR 423 424 424 THR THR A . n A 1 424 ALA 424 425 425 ALA ALA A . n A 1 425 ASN 425 426 426 ASN ASN A . n A 1 426 ASN 426 427 427 ASN ASN A . n A 1 427 ARG 427 428 428 ARG ARG A . n A 1 428 ARG 428 429 429 ARG ARG A . n A 1 429 ASN 429 430 430 ASN ASN A . n A 1 430 SER 430 431 431 SER SER A . n A 1 431 VAL 431 432 432 VAL VAL A . n A 1 432 VAL 432 433 433 VAL VAL A . n A 1 433 PRO 433 434 434 PRO PRO A . n A 1 434 PRO 434 435 435 PRO PRO A . n A 1 435 SER 435 436 436 SER SER A . n A 1 436 TRP 436 437 437 TRP TRP A . n A 1 437 GLY 437 438 438 GLY GLY A . n A 1 438 GLU 438 439 439 GLU GLU A . n A 1 439 THR 439 440 440 THR THR A . n A 1 440 SER 440 441 441 SER SER A . n A 1 441 ALA 441 442 442 ALA ALA A . n A 1 442 SER 442 443 443 SER SER A . n A 1 443 SER 443 444 444 SER SER A . n A 1 444 VAL 444 445 445 VAL VAL A . n A 1 445 PRO 445 446 446 PRO PRO A . n A 1 446 GLY 446 447 447 GLY GLY A . n A 1 447 THR 447 448 448 THR THR A . n A 1 448 CYS 448 449 449 CYS CYS A . n A 1 449 ALA 449 450 450 ALA ALA A . n A 1 450 ALA 450 451 451 ALA ALA A . n A 1 451 THR 451 452 452 THR THR A . n A 1 452 SER 452 453 453 SER SER A . n A 1 453 ALA 453 454 454 ALA ALA A . n A 1 454 SER 454 455 455 SER SER A . n A 1 455 GLY 455 456 456 GLY GLY A . n A 1 456 THR 456 457 457 THR THR A . n A 1 457 TYR 457 458 458 TYR TYR A . n A 1 458 SER 458 459 459 SER SER A . n A 1 459 SER 459 460 460 SER SER A . n A 1 460 VAL 460 461 461 VAL VAL A . n A 1 461 THR 461 462 462 THR THR A . n A 1 462 VAL 462 463 463 VAL VAL A . n A 1 463 THR 463 464 464 THR THR A . n A 1 464 SER 464 465 465 SER SER A . n A 1 465 TRP 465 466 466 TRP TRP A . n A 1 466 PRO 466 467 467 PRO PRO A . n A 1 467 SER 467 468 468 SER SER A . n A 1 468 ILE 468 469 469 ILE ILE A . n A 1 469 VAL 469 470 470 VAL VAL A . n A 1 470 ALA 470 471 471 ALA ALA A . n A 1 471 THR 471 472 472 THR THR A . n A 1 472 GLY 472 473 473 GLY GLY A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 MAN 1 474 452 MAN MAN A . C 2 MAN 1 475 455 MAN MAN A . D 2 MAN 1 476 443 MAN MAN A . E 2 MAN 1 477 444 MAN MAN A . F 2 MAN 1 478 453 MAN MAN A . G 2 MAN 1 479 457 MAN MAN A . H 2 MAN 1 480 459 MAN MAN A . I 2 MAN 1 481 460 MAN MAN A . J 2 MAN 1 482 462 MAN MAN A . K 2 MAN 1 483 464 MAN MAN A . L 3 NAG 1 484 171 NAG NAG A . M 3 NAG 2 485 172 NAG NAG A . N 4 BMA 3 486 173 BMA GLC A . O 2 MAN 4 487 174 MAN GLC A . P 2 MAN 5 488 175 MAN GLC A . Q 3 NAG 1 489 395 NAG NAG A . R 3 NAG 2 490 396 NAG NAG A . S 4 BMA 3 491 397 BMA GLC A . T 2 MAN 4 492 398 MAN GLC A . U 2 MAN 5 493 399 MAN GLC A . V 2 MAN 6 494 400 MAN GLC A . W 2 MAN 7 495 401 MAN GLC A . X 2 MAN 8 496 402 MAN GLC A . Y 2 MAN 9 497 403 MAN GLC A . Z 5 GAC 1 498 495 GAC GAC A . AA 6 HOH 1 500 500 HOH HOH A . AA 6 HOH 2 501 501 HOH HOH A . AA 6 HOH 3 502 502 HOH HOH A . AA 6 HOH 4 503 503 HOH HOH A . AA 6 HOH 5 504 504 HOH HOH A . AA 6 HOH 6 505 505 HOH HOH A . AA 6 HOH 7 506 506 HOH HOH A . AA 6 HOH 8 507 507 HOH HOH A . AA 6 HOH 9 508 508 HOH HOH A . AA 6 HOH 10 509 509 HOH HOH A . AA 6 HOH 11 510 510 HOH HOH A . AA 6 HOH 12 511 511 HOH HOH A . AA 6 HOH 13 512 512 HOH HOH A . AA 6 HOH 14 513 513 HOH HOH A . AA 6 HOH 15 514 514 HOH HOH A . AA 6 HOH 16 515 515 HOH HOH A . AA 6 HOH 17 516 516 HOH HOH A . AA 6 HOH 18 517 517 HOH HOH A . AA 6 HOH 19 518 518 HOH HOH A . AA 6 HOH 20 519 519 HOH HOH A . AA 6 HOH 21 520 520 HOH HOH A . AA 6 HOH 22 521 521 HOH HOH A . AA 6 HOH 23 522 522 HOH HOH A . AA 6 HOH 24 523 523 HOH HOH A . AA 6 HOH 25 524 524 HOH HOH A . AA 6 HOH 26 525 525 HOH HOH A . AA 6 HOH 27 526 526 HOH HOH A . AA 6 HOH 28 527 527 HOH HOH A . AA 6 HOH 29 528 528 HOH HOH A . AA 6 HOH 30 529 529 HOH HOH A . AA 6 HOH 31 530 530 HOH HOH A . AA 6 HOH 32 531 531 HOH HOH A . AA 6 HOH 33 532 532 HOH HOH A . AA 6 HOH 34 533 533 HOH HOH A . AA 6 HOH 35 534 534 HOH HOH A . AA 6 HOH 36 535 535 HOH HOH A . AA 6 HOH 37 536 536 HOH HOH A . AA 6 HOH 38 537 537 HOH HOH A . AA 6 HOH 39 538 538 HOH HOH A . AA 6 HOH 40 539 539 HOH HOH A . AA 6 HOH 41 540 540 HOH HOH A . AA 6 HOH 42 541 541 HOH HOH A . AA 6 HOH 43 542 542 HOH HOH A . AA 6 HOH 44 543 543 HOH HOH A . AA 6 HOH 45 544 544 HOH HOH A . AA 6 HOH 46 545 545 HOH HOH A . AA 6 HOH 47 546 546 HOH HOH A . AA 6 HOH 48 547 547 HOH HOH A . AA 6 HOH 49 548 548 HOH HOH A . AA 6 HOH 50 549 549 HOH HOH A . AA 6 HOH 51 550 550 HOH HOH A . AA 6 HOH 52 551 551 HOH HOH A . AA 6 HOH 53 552 552 HOH HOH A . AA 6 HOH 54 553 553 HOH HOH A . AA 6 HOH 55 554 554 HOH HOH A . AA 6 HOH 56 555 555 HOH HOH A . AA 6 HOH 57 556 556 HOH HOH A . AA 6 HOH 58 557 557 HOH HOH A . AA 6 HOH 59 558 558 HOH HOH A . AA 6 HOH 60 559 559 HOH HOH A . AA 6 HOH 61 560 560 HOH HOH A . AA 6 HOH 62 561 561 HOH HOH A . AA 6 HOH 63 562 562 HOH HOH A . AA 6 HOH 64 563 563 HOH HOH A . AA 6 HOH 65 564 564 HOH HOH A . AA 6 HOH 66 565 565 HOH HOH A . AA 6 HOH 67 566 566 HOH HOH A . AA 6 HOH 68 567 567 HOH HOH A . AA 6 HOH 69 568 568 HOH HOH A . AA 6 HOH 70 569 569 HOH HOH A . AA 6 HOH 71 570 570 HOH HOH A . AA 6 HOH 72 571 571 HOH HOH A . AA 6 HOH 73 572 572 HOH HOH A . AA 6 HOH 74 573 573 HOH HOH A . AA 6 HOH 75 574 574 HOH HOH A . AA 6 HOH 76 575 575 HOH HOH A . AA 6 HOH 77 576 576 HOH HOH A . AA 6 HOH 78 577 577 HOH HOH A . AA 6 HOH 79 578 578 HOH HOH A . AA 6 HOH 80 579 579 HOH HOH A . AA 6 HOH 81 580 580 HOH HOH A . AA 6 HOH 82 581 581 HOH HOH A . AA 6 HOH 83 582 582 HOH HOH A . AA 6 HOH 84 583 583 HOH HOH A . AA 6 HOH 85 584 584 HOH HOH A . AA 6 HOH 86 585 585 HOH HOH A . AA 6 HOH 87 586 586 HOH HOH A . AA 6 HOH 88 587 587 HOH HOH A . AA 6 HOH 89 588 588 HOH HOH A . AA 6 HOH 90 589 589 HOH HOH A . AA 6 HOH 91 590 590 HOH HOH A . AA 6 HOH 92 591 591 HOH HOH A . AA 6 HOH 93 592 592 HOH HOH A . AA 6 HOH 94 593 593 HOH HOH A . AA 6 HOH 95 594 594 HOH HOH A . AA 6 HOH 96 595 595 HOH HOH A . AA 6 HOH 97 596 596 HOH HOH A . AA 6 HOH 98 597 597 HOH HOH A . AA 6 HOH 99 598 598 HOH HOH A . AA 6 HOH 100 599 599 HOH HOH A . AA 6 HOH 101 600 600 HOH HOH A . AA 6 HOH 102 601 601 HOH HOH A . AA 6 HOH 103 602 602 HOH HOH A . AA 6 HOH 104 603 603 HOH HOH A . AA 6 HOH 105 604 604 HOH HOH A . AA 6 HOH 106 605 605 HOH HOH A . AA 6 HOH 107 606 606 HOH HOH A . AA 6 HOH 108 607 607 HOH HOH A . AA 6 HOH 109 608 608 HOH HOH A . AA 6 HOH 110 609 609 HOH HOH A . AA 6 HOH 111 610 610 HOH HOH A . AA 6 HOH 112 611 611 HOH HOH A . AA 6 HOH 113 612 612 HOH HOH A . AA 6 HOH 114 613 613 HOH HOH A . AA 6 HOH 115 614 614 HOH HOH A . AA 6 HOH 116 615 615 HOH HOH A . AA 6 HOH 117 616 616 HOH HOH A . AA 6 HOH 118 617 617 HOH HOH A . AA 6 HOH 119 618 618 HOH HOH A . AA 6 HOH 120 619 619 HOH HOH A . AA 6 HOH 121 620 620 HOH HOH A . AA 6 HOH 122 621 621 HOH HOH A . AA 6 HOH 123 622 622 HOH HOH A . AA 6 HOH 124 623 623 HOH HOH A . AA 6 HOH 125 624 624 HOH HOH A . AA 6 HOH 126 625 625 HOH HOH A . AA 6 HOH 127 626 626 HOH HOH A . AA 6 HOH 128 627 627 HOH HOH A . AA 6 HOH 129 628 628 HOH HOH A . AA 6 HOH 130 629 629 HOH HOH A . AA 6 HOH 131 630 630 HOH HOH A . AA 6 HOH 132 631 631 HOH HOH A . AA 6 HOH 133 632 632 HOH HOH A . AA 6 HOH 134 633 633 HOH HOH A . AA 6 HOH 135 634 634 HOH HOH A . AA 6 HOH 136 635 635 HOH HOH A . AA 6 HOH 137 636 636 HOH HOH A . AA 6 HOH 138 637 637 HOH HOH A . AA 6 HOH 139 638 638 HOH HOH A . AA 6 HOH 140 639 639 HOH HOH A . AA 6 HOH 141 640 640 HOH HOH A . AA 6 HOH 142 641 641 HOH HOH A . AA 6 HOH 143 642 642 HOH HOH A . AA 6 HOH 144 643 643 HOH HOH A . AA 6 HOH 145 644 644 HOH HOH A . AA 6 HOH 146 645 645 HOH HOH A . AA 6 HOH 147 646 646 HOH HOH A . AA 6 HOH 148 647 647 HOH HOH A . AA 6 HOH 149 648 648 HOH HOH A . AA 6 HOH 150 649 649 HOH HOH A . AA 6 HOH 151 650 650 HOH HOH A . AA 6 HOH 152 651 651 HOH HOH A . AA 6 HOH 153 652 652 HOH HOH A . AA 6 HOH 154 653 653 HOH HOH A . AA 6 HOH 155 654 654 HOH HOH A . AA 6 HOH 156 655 655 HOH HOH A . AA 6 HOH 157 656 656 HOH HOH A . AA 6 HOH 158 657 657 HOH HOH A . AA 6 HOH 159 658 658 HOH HOH A . AA 6 HOH 160 659 659 HOH HOH A . AA 6 HOH 161 660 660 HOH HOH A . AA 6 HOH 162 661 661 HOH HOH A . AA 6 HOH 163 662 662 HOH HOH A . AA 6 HOH 164 663 663 HOH HOH A . AA 6 HOH 165 664 664 HOH HOH A . AA 6 HOH 166 665 665 HOH HOH A . AA 6 HOH 167 666 666 HOH HOH A . AA 6 HOH 168 667 667 HOH HOH A . AA 6 HOH 169 668 668 HOH HOH A . AA 6 HOH 170 669 669 HOH HOH A . AA 6 HOH 171 670 670 HOH HOH A . AA 6 HOH 172 671 671 HOH HOH A . AA 6 HOH 173 672 672 HOH HOH A . AA 6 HOH 174 673 673 HOH HOH A . AA 6 HOH 175 674 674 HOH HOH A . AA 6 HOH 176 675 675 HOH HOH A . AA 6 HOH 177 676 676 HOH HOH A . AA 6 HOH 178 677 677 HOH HOH A . AA 6 HOH 179 678 678 HOH HOH A . AA 6 HOH 180 679 679 HOH HOH A . AA 6 HOH 181 680 680 HOH HOH A . AA 6 HOH 182 681 681 HOH HOH A . AA 6 HOH 183 682 682 HOH HOH A . AA 6 HOH 184 683 683 HOH HOH A . AA 6 HOH 185 684 684 HOH HOH A . AA 6 HOH 186 685 685 HOH HOH A . AA 6 HOH 187 686 686 HOH HOH A . AA 6 HOH 188 687 687 HOH HOH A . AA 6 HOH 189 688 688 HOH HOH A . AA 6 HOH 190 689 689 HOH HOH A . AA 6 HOH 191 690 690 HOH HOH A . AA 6 HOH 192 691 691 HOH HOH A . AA 6 HOH 193 692 692 HOH HOH A . AA 6 HOH 194 693 693 HOH HOH A . AA 6 HOH 195 694 694 HOH HOH A . AA 6 HOH 196 695 695 HOH HOH A . AA 6 HOH 197 696 696 HOH HOH A . AA 6 HOH 198 697 697 HOH HOH A . AA 6 HOH 199 698 698 HOH HOH A . AA 6 HOH 200 699 699 HOH HOH A . AA 6 HOH 201 700 700 HOH HOH A . AA 6 HOH 202 701 701 HOH HOH A . AA 6 HOH 203 702 702 HOH HOH A . AA 6 HOH 204 703 703 HOH HOH A . AA 6 HOH 205 704 704 HOH HOH A . AA 6 HOH 206 705 705 HOH HOH A . AA 6 HOH 207 706 706 HOH HOH A . AA 6 HOH 208 707 707 HOH HOH A . AA 6 HOH 209 708 708 HOH HOH A . AA 6 HOH 210 709 709 HOH HOH A . AA 6 HOH 211 710 710 HOH HOH A . AA 6 HOH 212 711 711 HOH HOH A . AA 6 HOH 213 712 712 HOH HOH A . AA 6 HOH 214 713 713 HOH HOH A . AA 6 HOH 215 714 714 HOH HOH A . AA 6 HOH 216 715 715 HOH HOH A . AA 6 HOH 217 716 716 HOH HOH A . AA 6 HOH 218 717 717 HOH HOH A . AA 6 HOH 219 718 718 HOH HOH A . AA 6 HOH 220 719 719 HOH HOH A . AA 6 HOH 221 720 720 HOH HOH A . AA 6 HOH 222 721 721 HOH HOH A . AA 6 HOH 223 722 722 HOH HOH A . AA 6 HOH 224 723 723 HOH HOH A . AA 6 HOH 225 724 724 HOH HOH A . AA 6 HOH 226 725 725 HOH HOH A . AA 6 HOH 227 726 726 HOH HOH A . AA 6 HOH 228 727 727 HOH HOH A . AA 6 HOH 229 728 728 HOH HOH A . AA 6 HOH 230 729 729 HOH HOH A . AA 6 HOH 231 730 730 HOH HOH A . AA 6 HOH 232 731 731 HOH HOH A . AA 6 HOH 233 732 732 HOH HOH A . AA 6 HOH 234 733 733 HOH HOH A . AA 6 HOH 235 734 734 HOH HOH A . AA 6 HOH 236 735 735 HOH HOH A . AA 6 HOH 237 736 736 HOH HOH A . AA 6 HOH 238 737 737 HOH HOH A . AA 6 HOH 239 738 738 HOH HOH A . AA 6 HOH 240 739 739 HOH HOH A . AA 6 HOH 241 740 740 HOH HOH A . AA 6 HOH 242 741 741 HOH HOH A . AA 6 HOH 243 742 742 HOH HOH A . AA 6 HOH 244 743 743 HOH HOH A . AA 6 HOH 245 744 744 HOH HOH A . AA 6 HOH 246 745 745 HOH HOH A . AA 6 HOH 247 746 746 HOH HOH A . AA 6 HOH 248 747 747 HOH HOH A . AA 6 HOH 249 748 748 HOH HOH A . AA 6 HOH 250 749 749 HOH HOH A . AA 6 HOH 251 750 750 HOH HOH A . AA 6 HOH 252 751 751 HOH HOH A . AA 6 HOH 253 752 752 HOH HOH A . AA 6 HOH 254 753 753 HOH HOH A . AA 6 HOH 255 754 754 HOH HOH A . AA 6 HOH 256 755 755 HOH HOH A . AA 6 HOH 257 756 756 HOH HOH A . AA 6 HOH 258 757 757 HOH HOH A . AA 6 HOH 259 758 758 HOH HOH A . AA 6 HOH 260 759 759 HOH HOH A . AA 6 HOH 261 760 760 HOH HOH A . AA 6 HOH 262 761 761 HOH HOH A . AA 6 HOH 263 762 762 HOH HOH A . AA 6 HOH 264 763 763 HOH HOH A . AA 6 HOH 265 764 764 HOH HOH A . AA 6 HOH 266 765 765 HOH HOH A . AA 6 HOH 267 766 766 HOH HOH A . AA 6 HOH 268 767 767 HOH HOH A . AA 6 HOH 269 768 768 HOH HOH A . AA 6 HOH 270 769 769 HOH HOH A . AA 6 HOH 271 770 770 HOH HOH A . AA 6 HOH 272 771 771 HOH HOH A . AA 6 HOH 273 772 772 HOH HOH A . AA 6 HOH 274 773 773 HOH HOH A . AA 6 HOH 275 774 774 HOH HOH A . AA 6 HOH 276 775 775 HOH HOH A . AA 6 HOH 277 776 776 HOH HOH A . AA 6 HOH 278 777 777 HOH HOH A . AA 6 HOH 279 778 778 HOH HOH A . AA 6 HOH 280 779 779 HOH HOH A . AA 6 HOH 281 780 780 HOH HOH A . AA 6 HOH 282 781 781 HOH HOH A . AA 6 HOH 283 782 782 HOH HOH A . AA 6 HOH 284 783 783 HOH HOH A . AA 6 HOH 285 784 784 HOH HOH A . AA 6 HOH 286 785 785 HOH HOH A . AA 6 HOH 287 786 786 HOH HOH A . AA 6 HOH 288 787 787 HOH HOH A . AA 6 HOH 289 788 788 HOH HOH A . AA 6 HOH 290 789 789 HOH HOH A . AA 6 HOH 291 790 790 HOH HOH A . AA 6 HOH 292 791 791 HOH HOH A . AA 6 HOH 293 792 792 HOH HOH A . AA 6 HOH 294 793 793 HOH HOH A . AA 6 HOH 295 794 794 HOH HOH A . AA 6 HOH 296 795 795 HOH HOH A . AA 6 HOH 297 796 796 HOH HOH A . AA 6 HOH 298 797 797 HOH HOH A . AA 6 HOH 299 798 798 HOH HOH A . AA 6 HOH 300 799 799 HOH HOH A . AA 6 HOH 301 800 800 HOH HOH A . AA 6 HOH 302 801 801 HOH HOH A . AA 6 HOH 303 802 802 HOH HOH A . AA 6 HOH 304 803 803 HOH HOH A . AA 6 HOH 305 804 804 HOH HOH A . AA 6 HOH 306 805 805 HOH HOH A . AA 6 HOH 307 806 806 HOH HOH A . AA 6 HOH 308 807 807 HOH HOH A . AA 6 HOH 309 808 808 HOH HOH A . AA 6 HOH 310 809 809 HOH HOH A . AA 6 HOH 311 810 810 HOH HOH A . AA 6 HOH 312 811 811 HOH HOH A . AA 6 HOH 313 812 812 HOH HOH A . AA 6 HOH 314 813 813 HOH HOH A . AA 6 HOH 315 814 814 HOH HOH A . AA 6 HOH 316 815 815 HOH HOH A . AA 6 HOH 317 816 816 HOH HOH A . AA 6 HOH 318 817 817 HOH HOH A . AA 6 HOH 319 818 818 HOH HOH A . AA 6 HOH 320 819 819 HOH HOH A . AA 6 HOH 321 820 820 HOH HOH A . AA 6 HOH 322 821 821 HOH HOH A . AA 6 HOH 323 822 822 HOH HOH A . AA 6 HOH 324 823 823 HOH HOH A . AA 6 HOH 325 824 824 HOH HOH A . AA 6 HOH 326 825 825 HOH HOH A . AA 6 HOH 327 826 826 HOH HOH A . AA 6 HOH 328 827 827 HOH HOH A . AA 6 HOH 329 828 828 HOH HOH A . AA 6 HOH 330 829 829 HOH HOH A . AA 6 HOH 331 830 830 HOH HOH A . AA 6 HOH 332 831 831 HOH HOH A . AA 6 HOH 333 832 832 HOH HOH A . AA 6 HOH 334 833 833 HOH HOH A . AA 6 HOH 335 834 834 HOH HOH A . AA 6 HOH 336 835 835 HOH HOH A . AA 6 HOH 337 836 836 HOH HOH A . AA 6 HOH 338 837 837 HOH HOH A . AA 6 HOH 339 838 838 HOH HOH A . AA 6 HOH 340 839 839 HOH HOH A . AA 6 HOH 341 840 840 HOH HOH A . AA 6 HOH 342 841 841 HOH HOH A . AA 6 HOH 343 842 842 HOH HOH A . AA 6 HOH 344 843 843 HOH HOH A . AA 6 HOH 345 844 844 HOH HOH A . AA 6 HOH 346 845 845 HOH HOH A . AA 6 HOH 347 846 846 HOH HOH A . AA 6 HOH 348 847 847 HOH HOH A . AA 6 HOH 349 848 848 HOH HOH A . AA 6 HOH 350 849 849 HOH HOH A . AA 6 HOH 351 850 850 HOH HOH A . AA 6 HOH 352 851 851 HOH HOH A . AA 6 HOH 353 852 852 HOH HOH A . AA 6 HOH 354 853 853 HOH HOH A . AA 6 HOH 355 854 854 HOH HOH A . AA 6 HOH 356 855 855 HOH HOH A . AA 6 HOH 357 856 856 HOH HOH A . AA 6 HOH 358 857 857 HOH HOH A . AA 6 HOH 359 858 858 HOH HOH A . AA 6 HOH 360 859 859 HOH HOH A . AA 6 HOH 361 860 860 HOH HOH A . AA 6 HOH 362 861 861 HOH HOH A . AA 6 HOH 363 862 862 HOH HOH A . AA 6 HOH 364 863 863 HOH HOH A . AA 6 HOH 365 864 864 HOH HOH A . AA 6 HOH 366 865 865 HOH HOH A . AA 6 HOH 367 866 866 HOH HOH A . AA 6 HOH 368 867 867 HOH HOH A . AA 6 HOH 369 868 868 HOH HOH A . AA 6 HOH 370 869 869 HOH HOH A . AA 6 HOH 371 870 870 HOH HOH A . AA 6 HOH 372 871 871 HOH HOH A . AA 6 HOH 373 872 872 HOH HOH A . AA 6 HOH 374 873 873 HOH HOH A . AA 6 HOH 375 874 874 HOH HOH A . AA 6 HOH 376 875 875 HOH HOH A . AA 6 HOH 377 876 876 HOH HOH A . AA 6 HOH 378 877 877 HOH HOH A . AA 6 HOH 379 878 878 HOH HOH A . AA 6 HOH 380 879 879 HOH HOH A . AA 6 HOH 381 880 880 HOH HOH A . AA 6 HOH 382 881 881 HOH HOH A . AA 6 HOH 383 882 882 HOH HOH A . AA 6 HOH 384 883 883 HOH HOH A . AA 6 HOH 385 884 884 HOH HOH A . AA 6 HOH 386 885 885 HOH HOH A . AA 6 HOH 387 886 886 HOH HOH A . AA 6 HOH 388 887 887 HOH HOH A . AA 6 HOH 389 888 888 HOH HOH A . AA 6 HOH 390 889 889 HOH HOH A . AA 6 HOH 391 890 890 HOH HOH A . AA 6 HOH 392 891 891 HOH HOH A . AA 6 HOH 393 892 892 HOH HOH A . AA 6 HOH 394 893 893 HOH HOH A . AA 6 HOH 395 894 894 HOH HOH A . AA 6 HOH 396 895 895 HOH HOH A . AA 6 HOH 397 896 896 HOH HOH A . AA 6 HOH 398 897 897 HOH HOH A . AA 6 HOH 399 898 898 HOH HOH A . AA 6 HOH 400 899 899 HOH HOH A . AA 6 HOH 401 900 900 HOH HOH A . AA 6 HOH 402 901 901 HOH HOH A . AA 6 HOH 403 902 902 HOH HOH A . AA 6 HOH 404 903 903 HOH HOH A . AA 6 HOH 405 904 904 HOH HOH A . AA 6 HOH 406 905 905 HOH HOH A . AA 6 HOH 407 906 906 HOH HOH A . AA 6 HOH 408 907 907 HOH HOH A . AA 6 HOH 409 908 908 HOH HOH A . AA 6 HOH 410 909 909 HOH HOH A . AA 6 HOH 411 910 910 HOH HOH A . AA 6 HOH 412 911 911 HOH HOH A . AA 6 HOH 413 912 912 HOH HOH A . AA 6 HOH 414 913 913 HOH HOH A . AA 6 HOH 415 914 914 HOH HOH A . AA 6 HOH 416 915 915 HOH HOH A . AA 6 HOH 417 916 916 HOH HOH A . AA 6 HOH 418 917 917 HOH HOH A . AA 6 HOH 419 918 918 HOH HOH A . AA 6 HOH 420 919 919 HOH HOH A . AA 6 HOH 421 920 920 HOH HOH A . AA 6 HOH 422 921 921 HOH HOH A . AA 6 HOH 423 922 922 HOH HOH A . AA 6 HOH 424 923 923 HOH HOH A . AA 6 HOH 425 924 924 HOH HOH A . AA 6 HOH 426 925 925 HOH HOH A . AA 6 HOH 427 926 926 HOH HOH A . AA 6 HOH 428 927 927 HOH HOH A . AA 6 HOH 429 928 928 HOH HOH A . AA 6 HOH 430 929 929 HOH HOH A . AA 6 HOH 431 930 930 HOH HOH A . AA 6 HOH 432 931 931 HOH HOH A . AA 6 HOH 433 932 932 HOH HOH A . AA 6 HOH 434 933 933 HOH HOH A . AA 6 HOH 435 934 934 HOH HOH A . AA 6 HOH 436 935 935 HOH HOH A . AA 6 HOH 437 936 936 HOH HOH A . AA 6 HOH 438 937 937 HOH HOH A . AA 6 HOH 439 938 938 HOH HOH A . AA 6 HOH 440 939 939 HOH HOH A . AA 6 HOH 441 940 940 HOH HOH A . AA 6 HOH 442 941 941 HOH HOH A . AA 6 HOH 443 942 942 HOH HOH A . AA 6 HOH 444 943 943 HOH HOH A . AA 6 HOH 445 944 944 HOH HOH A . AA 6 HOH 446 945 945 HOH HOH A . AA 6 HOH 447 946 946 HOH HOH A . AA 6 HOH 448 947 947 HOH HOH A . AA 6 HOH 449 948 948 HOH HOH A . AA 6 HOH 450 949 949 HOH HOH A . AA 6 HOH 451 950 950 HOH HOH A . AA 6 HOH 452 951 951 HOH HOH A . AA 6 HOH 453 952 952 HOH HOH A . AA 6 HOH 454 953 953 HOH HOH A . AA 6 HOH 455 954 954 HOH HOH A . AA 6 HOH 456 955 955 HOH HOH A . AA 6 HOH 457 956 956 HOH HOH A . AA 6 HOH 458 957 957 HOH HOH A . AA 6 HOH 459 958 958 HOH HOH A . AA 6 HOH 460 959 959 HOH HOH A . AA 6 HOH 461 960 960 HOH HOH A . AA 6 HOH 462 961 961 HOH HOH A . AA 6 HOH 463 962 962 HOH HOH A . AA 6 HOH 464 963 963 HOH HOH A . AA 6 HOH 465 964 964 HOH HOH A . AA 6 HOH 466 965 965 HOH HOH A . AA 6 HOH 467 966 966 HOH HOH A . AA 6 HOH 468 967 967 HOH HOH A . AA 6 HOH 469 968 968 HOH HOH A . AA 6 HOH 470 969 969 HOH HOH A . AA 6 HOH 471 970 970 HOH HOH A . AA 6 HOH 472 971 971 HOH HOH A . AA 6 HOH 473 972 972 HOH HOH A . AA 6 HOH 474 973 973 HOH HOH A . AA 6 HOH 475 974 974 HOH HOH A . AA 6 HOH 476 975 975 HOH HOH A . AA 6 HOH 477 976 976 HOH HOH A . AA 6 HOH 478 977 977 HOH HOH A . AA 6 HOH 479 978 978 HOH HOH A . AA 6 HOH 480 979 979 HOH HOH A . AA 6 HOH 481 980 980 HOH HOH A . AA 6 HOH 482 981 981 HOH HOH A . AA 6 HOH 483 982 982 HOH HOH A . AA 6 HOH 484 983 983 HOH HOH A . AA 6 HOH 485 984 984 HOH HOH A . AA 6 HOH 486 985 985 HOH HOH A . AA 6 HOH 487 986 986 HOH HOH A . AA 6 HOH 488 987 987 HOH HOH A . AA 6 HOH 489 988 988 HOH HOH A . AA 6 HOH 490 989 989 HOH HOH A . AA 6 HOH 491 990 990 HOH HOH A . AA 6 HOH 492 991 991 HOH HOH A . AA 6 HOH 493 992 992 HOH HOH A . AA 6 HOH 494 993 993 HOH HOH A . AA 6 HOH 495 994 994 HOH HOH A . AA 6 HOH 496 995 995 HOH HOH A . AA 6 HOH 497 996 996 HOH HOH A . AA 6 HOH 498 997 997 HOH HOH A . AA 6 HOH 499 998 998 HOH HOH A . AA 6 HOH 500 999 999 HOH HOH A . AA 6 HOH 501 1000 1000 HOH HOH A . AA 6 HOH 502 1001 1001 HOH HOH A . AA 6 HOH 503 1002 1002 HOH HOH A . AA 6 HOH 504 1003 1003 HOH HOH A . AA 6 HOH 505 1004 1004 HOH HOH A . AA 6 HOH 506 1005 1005 HOH HOH A . AA 6 HOH 507 1006 1006 HOH HOH A . AA 6 HOH 508 1007 1007 HOH HOH A . AA 6 HOH 509 1008 1008 HOH HOH A . AA 6 HOH 510 1009 1009 HOH HOH A . AA 6 HOH 511 1010 1010 HOH HOH A . AA 6 HOH 512 1011 1011 HOH HOH A . AA 6 HOH 513 1012 1012 HOH HOH A . AA 6 HOH 514 1013 1013 HOH HOH A . AA 6 HOH 515 1014 1014 HOH HOH A . AA 6 HOH 516 1015 1015 HOH HOH A . AA 6 HOH 517 1016 1016 HOH HOH A . AA 6 HOH 518 1017 1017 HOH HOH A . AA 6 HOH 519 1018 1018 HOH HOH A . AA 6 HOH 520 1019 1019 HOH HOH A . AA 6 HOH 521 1020 1020 HOH HOH A . AA 6 HOH 522 1021 1021 HOH HOH A . AA 6 HOH 523 1022 1022 HOH HOH A . AA 6 HOH 524 1023 1023 HOH HOH A . AA 6 HOH 525 1024 1024 HOH HOH A . AA 6 HOH 526 1025 1025 HOH HOH A . AA 6 HOH 527 1026 1026 HOH HOH A . AA 6 HOH 528 1027 1027 HOH HOH A . AA 6 HOH 529 1028 1028 HOH HOH A . AA 6 HOH 530 1029 1029 HOH HOH A . AA 6 HOH 531 1030 1030 HOH HOH A . AA 6 HOH 532 1031 1031 HOH HOH A . AA 6 HOH 533 1032 1032 HOH HOH A . AA 6 HOH 534 1033 1033 HOH HOH A . AA 6 HOH 535 1034 1034 HOH HOH A . AA 6 HOH 536 1035 1035 HOH HOH A . AA 6 HOH 537 1036 1036 HOH HOH A . AA 6 HOH 538 1037 1037 HOH HOH A . AA 6 HOH 539 1038 1038 HOH HOH A . AA 6 HOH 540 1039 1039 HOH HOH A . AA 6 HOH 541 1040 1040 HOH HOH A . AA 6 HOH 542 1041 1041 HOH HOH A . AA 6 HOH 543 1042 1042 HOH HOH A . AA 6 HOH 544 1043 1043 HOH HOH A . AA 6 HOH 545 1044 1044 HOH HOH A . AA 6 HOH 546 1045 1045 HOH HOH A . AA 6 HOH 547 1046 1046 HOH HOH A . AA 6 HOH 548 1047 1047 HOH HOH A . AA 6 HOH 549 1048 1048 HOH HOH A . AA 6 HOH 550 1049 1049 HOH HOH A . AA 6 HOH 551 1050 1050 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 170 A ASN 171 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 394 A ASN 395 ? ASN 'GLYCOSYLATION SITE' 3 A SER 442 A SER 443 ? SER 'GLYCOSYLATION SITE' 4 A SER 443 A SER 444 ? SER 'GLYCOSYLATION SITE' 5 A SER 452 A SER 453 ? SER 'GLYCOSYLATION SITE' 6 A THR 456 A THR 457 ? THR 'GLYCOSYLATION SITE' 7 A SER 458 A SER 459 ? SER 'GLYCOSYLATION SITE' 8 A SER 459 A SER 460 ? SER 'GLYCOSYLATION SITE' 9 A THR 461 A THR 462 ? THR 'GLYCOSYLATION SITE' 10 A THR 463 A THR 464 ? THR 'GLYCOSYLATION SITE' 11 A THR 451 A THR 452 ? THR 'GLYCOSYLATION SITE' 12 A SER 454 A SER 455 ? SER 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_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 1996-08-17 2 'Structure model' 1 1 2008-03-10 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2011-10-05 # _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' 'Atomic model' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' 'Derived calculations' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal XENGEN 'data collection' . ? 1 XENGEN 'data reduction' . ? 2 X-PLOR 'model building' 3.1 ? 3 X-PLOR refinement 3.1 ? 4 XENGEN 'data scaling' . ? 5 X-PLOR phasing 3.1 ? 6 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ;SHEET MOST OF THE SHEETS FOR GLUCOAMYLASE-471 ARE HAIRPIN LOOPS THAT CONNECT HELICES. THESE LOOPS HAVE TWO OR MORE H-BONDS BETWEEN THE ANTIPARALLEL STRANDS THAT COMPRISE THEM. IN ADDITION INDIVIDUAL LOOPS PACK TOGETHER, BUT THERE EXISTS GENERALLY ONLY ONE H-BOND BETWEEN A LOOP AND ITS NEIGHBOR. ; # _pdbx_entry_details.entry_id 1GAI _pdbx_entry_details.compound_details ;GLUCOAMYLASE-471 IS A NATURAL PROTEOLYTIC FRAGMENT OF PARENT GLUCOAMYLASE, WHICH IS INITIALLY SECRETED BY FUNGI. GLUCOAMYLASE-471 LACKS THE STARCH-BINDING DOMAIN AND A PART OF THE O-GLYCOSYLATED LINKER DOMAIN. THE ACTUAL LENGTH OF GLUCOAMYLASE-471 FROM ASPERGILLUS AWAMORI VAR. X100 IS NOT DETERMINED EXACTLY. THE CRYSTALLOGRAPHICALLY OBSERVED LENGTH VARIES BETWEEN 471 AND 473 RESIDUES. THE SEQUENCE USED IS THAT OF GLUCOAMYLASE FROM ASPERGILLUS AWAMORI VAR. KAWACHI (SEE JRNL AND REFERENCE 4). RESIDUE NUMBERS ARE DISCONTINUOUS. RESIDUE NUMBER 102 IS SKIPPED SO THAT THE NUMBERING OF THE RESIDUES IS CONSISTENT WITH GLUCOAMYLASE FROM ASPERGILLUS NIGER. RESIDUE NUMBERS 141, 240, 319, 320, AND 445 HAVE THE AMINO ACID TYPE CORRESPONDING TO THE GLUCOAMYLASE FROM ASPERGILLUS NIGER, RATHER THAN THAT OF ASPERGILLUS AWAMORI VAR. KAWACHI. THE POLYPEPTIDE CHAIN FOLDS INTO AN ALPHA/ALPHA-BARREL, COMPRISING 12 HELICES. ; _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ;D-GLUCO-DIHYDROACARBOSE IS BOUND TO THE ACTIVE SITE OF THE ENZYME. D-GLUCO-DIHYDROACARBOSE IS A PSEUDOTETRASACCHARIDE. THE LAST TWO RESIDUES OF THE REDUCING END ARE PRESENT IN TWO ALTERNATE CONFORMATIONS, ONE OF WHICH (OCCUPANCY 0.37) CORRESPONDS TO THE CONFORMATION OF ACARBOSE OBSERVED AT PH 6.0. SEE RELATED PROTEIN DATA BANK ENTRY 1AGM OF THE STRUCTURE OF GLUCOAMYLASE-471 COMPLEXED WITH ACARBOSE DETERMINED AT PH 6.0 SEE RELATED PROTEIN DATA BANK ENTRY 1GAH FOR THE STRUCTURE OF GLUCOAMYLASE-741 COMPLEXED WITH ACARBOSE DETERMINED AT PH 4.0 ; _pdbx_entry_details.sequence_details ? # 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 H1 A HOH 619 ? ? O A HOH 640 ? ? 1.58 2 1 O A HOH 608 ? ? H2 A HOH 639 ? ? 1.58 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CA _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 LEU _pdbx_validate_rmsd_angle.auth_seq_id_1 341 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CB _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 LEU _pdbx_validate_rmsd_angle.auth_seq_id_2 341 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 CG _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 LEU _pdbx_validate_rmsd_angle.auth_seq_id_3 341 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 132.23 _pdbx_validate_rmsd_angle.angle_target_value 115.30 _pdbx_validate_rmsd_angle.angle_deviation 16.93 _pdbx_validate_rmsd_angle.angle_standard_deviation 2.30 _pdbx_validate_rmsd_angle.linker_flag 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 TYR A 147 ? ? -104.95 57.00 2 1 ILE A 154 ? ? -106.28 -63.32 3 1 SER A 208 ? ? -119.48 -155.07 4 1 ASN A 313 ? ? 84.21 0.28 5 1 SER A 411 ? ? 66.47 -156.99 6 1 ALA A 442 ? ? -144.70 43.09 # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id C1D _pdbx_validate_chiral.label_alt_id B _pdbx_validate_chiral.auth_asym_id A _pdbx_validate_chiral.auth_comp_id GAC _pdbx_validate_chiral.auth_seq_id 498 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details 'WRONG HAND' _pdbx_validate_chiral.omega . # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 ALPHA-D-MANNOSE MAN 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 DIHYDRO-ACARBOSE GAC 6 water HOH #