data_4CIB # _entry.id 4CIB # _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 4CIB PDBE EBI-59179 WWPDB D_1290059179 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 4CI9 unspecified 'CRYSTAL STRUCTURE OF CATHEPSIN A, APO-STRUCTURE' PDB 4CIA unspecified 'CRYSTAL STRUCTURE OF CATHEPSIN A, COMPLEXED WITH COMPOUND 1' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4CIB _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2013-12-06 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Schreuder, H.A.' 1 'Liesum, A.' 2 'Kroll, K.' 3 'Boehnisch, B.' 4 'Buning, C.' 5 'Ruf, S.' 6 'Buning, C.' 7 'Sadowski, T.' 8 # 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 'Crystal Structure of Cathepsin A, a Novel Target for the Treatment of Cardiovascular Diseases.' Biochem.Biophys.Res.Commun. 445 451 ? 2014 BBRCA9 US 0006-291X 0146 ? 24530914 10.1016/J.BBRC.2014.02.014 1 'Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A.' J.Med.Chem. 55 7636 ? 2012 JMCMAR US 0022-2623 0151 ? 22861813 10.1021/JM300663N # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Schreuder, H.A.' 1 primary 'Liesum, A.' 2 primary 'Kroll, K.' 3 primary 'Boehnisch, B.' 4 primary 'Buning, C.' 5 primary 'Ruf, S.' 6 primary 'Sadowski, T.' 7 1 'Ruf, S.' 8 1 'Buning, C.' 9 1 'Schreuder, H.' 10 1 'Horstick, G.' 11 1 'Linz, W.' 12 1 'Olpp, T.' 13 1 'Pernerstorfer, J.' 14 1 'Hiss, K.' 15 1 'Kroll, K.' 16 1 'Kannt, A.' 17 1 'Kohlmann, M.' 18 1 'Linz, D.' 19 1 'Hubschle, T.' 20 1 'Rutten, H.' 21 1 'Wirth, K.' 22 1 'Schmidt, T.' 23 1 'Sadowski, T.' 24 # _cell.entry_id 4CIB _cell.length_a 89.649 _cell.length_b 102.527 _cell.length_c 49.395 _cell.angle_alpha 90.00 _cell.angle_beta 100.94 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4CIB _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'LYSOSOMAL PROTECTIVE PROTEIN' 51829.359 1 3.4.16.5 ? ? 'ACTIVATED WITH TRYPSIN-SEPHAROSE' 2 non-polymer syn '2-(cyclohexylmethyl)propanedioic acid' 200.232 1 ? ? ? ? 3 non-polymer syn 'CADMIUM ION' 112.411 5 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 5 water nat water 18.015 908 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name ;CATHEPSIN A, CARBOXYPEPTIDASE C, CARBOXYPEPTIDASE L, PROTECTIVE PROTEIN CATHEPSIN A, PPCA, PROTECTIVE PROTEIN FOR BETA-GALACTOSIDASE ; # _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 ;SRAPDQDEIQRLPGLAKQPSFRQYSGYLKGSGSKHLHYWFVESQKDPENSPVVLWLNGGPGCSSLDGLLTEHGPFLVQPD GVTLEYNPYSWNLIANVLYLESPAGVGFSYSDDKFYATNDTEVAQSNFEALQDFFRLFPEYKNNKLFLTGESYAGIYIPT LAVLVMQDPSMNLQGLAVGNGLSSYEQNDNSLVYFAYYHGLLGNRLWSSLQTHCCSQNKCNFYDNKDLECVTNLQEVARI VGNSGLNIYNLYAPCAGGVPSHFRYEKDTVVVQDLGNIFTRLPLKRMWHQALLRSGDKVRMDPPCTNTTAASTYLNNPYV RKALNIPEQLPQWDMCNFLVNLQYRRLYRSMNSQYLKLLSSQKYQILLYNGDVDMACNFMGDEWFVDSLNQKMEVQRRPW LVKYGDSGEQIAGFVKEFSHIAFLTIKGAGHMVPTDKPLAAFTMFSRFLNKQPYE ; _entity_poly.pdbx_seq_one_letter_code_can ;SRAPDQDEIQRLPGLAKQPSFRQYSGYLKGSGSKHLHYWFVESQKDPENSPVVLWLNGGPGCSSLDGLLTEHGPFLVQPD GVTLEYNPYSWNLIANVLYLESPAGVGFSYSDDKFYATNDTEVAQSNFEALQDFFRLFPEYKNNKLFLTGESYAGIYIPT LAVLVMQDPSMNLQGLAVGNGLSSYEQNDNSLVYFAYYHGLLGNRLWSSLQTHCCSQNKCNFYDNKDLECVTNLQEVARI VGNSGLNIYNLYAPCAGGVPSHFRYEKDTVVVQDLGNIFTRLPLKRMWHQALLRSGDKVRMDPPCTNTTAASTYLNNPYV RKALNIPEQLPQWDMCNFLVNLQYRRLYRSMNSQYLKLLSSQKYQILLYNGDVDMACNFMGDEWFVDSLNQKMEVQRRPW LVKYGDSGEQIAGFVKEFSHIAFLTIKGAGHMVPTDKPLAAFTMFSRFLNKQPYE ; _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 SER n 1 2 ARG n 1 3 ALA n 1 4 PRO n 1 5 ASP n 1 6 GLN n 1 7 ASP n 1 8 GLU n 1 9 ILE n 1 10 GLN n 1 11 ARG n 1 12 LEU n 1 13 PRO n 1 14 GLY n 1 15 LEU n 1 16 ALA n 1 17 LYS n 1 18 GLN n 1 19 PRO n 1 20 SER n 1 21 PHE n 1 22 ARG n 1 23 GLN n 1 24 TYR n 1 25 SER n 1 26 GLY n 1 27 TYR n 1 28 LEU n 1 29 LYS n 1 30 GLY n 1 31 SER n 1 32 GLY n 1 33 SER n 1 34 LYS n 1 35 HIS n 1 36 LEU n 1 37 HIS n 1 38 TYR n 1 39 TRP n 1 40 PHE n 1 41 VAL n 1 42 GLU n 1 43 SER n 1 44 GLN n 1 45 LYS n 1 46 ASP n 1 47 PRO n 1 48 GLU n 1 49 ASN n 1 50 SER n 1 51 PRO n 1 52 VAL n 1 53 VAL n 1 54 LEU n 1 55 TRP n 1 56 LEU n 1 57 ASN n 1 58 GLY n 1 59 GLY n 1 60 PRO n 1 61 GLY n 1 62 CYS n 1 63 SER n 1 64 SER n 1 65 LEU n 1 66 ASP n 1 67 GLY n 1 68 LEU n 1 69 LEU n 1 70 THR n 1 71 GLU n 1 72 HIS n 1 73 GLY n 1 74 PRO n 1 75 PHE n 1 76 LEU n 1 77 VAL n 1 78 GLN n 1 79 PRO n 1 80 ASP n 1 81 GLY n 1 82 VAL n 1 83 THR n 1 84 LEU n 1 85 GLU n 1 86 TYR n 1 87 ASN n 1 88 PRO n 1 89 TYR n 1 90 SER n 1 91 TRP n 1 92 ASN n 1 93 LEU n 1 94 ILE n 1 95 ALA n 1 96 ASN n 1 97 VAL n 1 98 LEU n 1 99 TYR n 1 100 LEU n 1 101 GLU n 1 102 SER n 1 103 PRO n 1 104 ALA n 1 105 GLY n 1 106 VAL n 1 107 GLY n 1 108 PHE n 1 109 SER n 1 110 TYR n 1 111 SER n 1 112 ASP n 1 113 ASP n 1 114 LYS n 1 115 PHE n 1 116 TYR n 1 117 ALA n 1 118 THR n 1 119 ASN n 1 120 ASP n 1 121 THR n 1 122 GLU n 1 123 VAL n 1 124 ALA n 1 125 GLN n 1 126 SER n 1 127 ASN n 1 128 PHE n 1 129 GLU n 1 130 ALA n 1 131 LEU n 1 132 GLN n 1 133 ASP n 1 134 PHE n 1 135 PHE n 1 136 ARG n 1 137 LEU n 1 138 PHE n 1 139 PRO n 1 140 GLU n 1 141 TYR n 1 142 LYS n 1 143 ASN n 1 144 ASN n 1 145 LYS n 1 146 LEU n 1 147 PHE n 1 148 LEU n 1 149 THR n 1 150 GLY n 1 151 GLU n 1 152 SER n 1 153 TYR n 1 154 ALA n 1 155 GLY n 1 156 ILE n 1 157 TYR n 1 158 ILE n 1 159 PRO n 1 160 THR n 1 161 LEU n 1 162 ALA n 1 163 VAL n 1 164 LEU n 1 165 VAL n 1 166 MET n 1 167 GLN n 1 168 ASP n 1 169 PRO n 1 170 SER n 1 171 MET n 1 172 ASN n 1 173 LEU n 1 174 GLN n 1 175 GLY n 1 176 LEU n 1 177 ALA n 1 178 VAL n 1 179 GLY n 1 180 ASN n 1 181 GLY n 1 182 LEU n 1 183 SER n 1 184 SER n 1 185 TYR n 1 186 GLU n 1 187 GLN n 1 188 ASN n 1 189 ASP n 1 190 ASN n 1 191 SER n 1 192 LEU n 1 193 VAL n 1 194 TYR n 1 195 PHE n 1 196 ALA n 1 197 TYR n 1 198 TYR n 1 199 HIS n 1 200 GLY n 1 201 LEU n 1 202 LEU n 1 203 GLY n 1 204 ASN n 1 205 ARG n 1 206 LEU n 1 207 TRP n 1 208 SER n 1 209 SER n 1 210 LEU n 1 211 GLN n 1 212 THR n 1 213 HIS n 1 214 CYS n 1 215 CYS n 1 216 SER n 1 217 GLN n 1 218 ASN n 1 219 LYS n 1 220 CYS n 1 221 ASN n 1 222 PHE n 1 223 TYR n 1 224 ASP n 1 225 ASN n 1 226 LYS n 1 227 ASP n 1 228 LEU n 1 229 GLU n 1 230 CYS n 1 231 VAL n 1 232 THR n 1 233 ASN n 1 234 LEU n 1 235 GLN n 1 236 GLU n 1 237 VAL n 1 238 ALA n 1 239 ARG n 1 240 ILE n 1 241 VAL n 1 242 GLY n 1 243 ASN n 1 244 SER n 1 245 GLY n 1 246 LEU n 1 247 ASN n 1 248 ILE n 1 249 TYR n 1 250 ASN n 1 251 LEU n 1 252 TYR n 1 253 ALA n 1 254 PRO n 1 255 CYS n 1 256 ALA n 1 257 GLY n 1 258 GLY n 1 259 VAL n 1 260 PRO n 1 261 SER n 1 262 HIS n 1 263 PHE n 1 264 ARG n 1 265 TYR n 1 266 GLU n 1 267 LYS n 1 268 ASP n 1 269 THR n 1 270 VAL n 1 271 VAL n 1 272 VAL n 1 273 GLN n 1 274 ASP n 1 275 LEU n 1 276 GLY n 1 277 ASN n 1 278 ILE n 1 279 PHE n 1 280 THR n 1 281 ARG n 1 282 LEU n 1 283 PRO n 1 284 LEU n 1 285 LYS n 1 286 ARG n 1 287 MET n 1 288 TRP n 1 289 HIS n 1 290 GLN n 1 291 ALA n 1 292 LEU n 1 293 LEU n 1 294 ARG n 1 295 SER n 1 296 GLY n 1 297 ASP n 1 298 LYS n 1 299 VAL n 1 300 ARG n 1 301 MET n 1 302 ASP n 1 303 PRO n 1 304 PRO n 1 305 CYS n 1 306 THR n 1 307 ASN n 1 308 THR n 1 309 THR n 1 310 ALA n 1 311 ALA n 1 312 SER n 1 313 THR n 1 314 TYR n 1 315 LEU n 1 316 ASN n 1 317 ASN n 1 318 PRO n 1 319 TYR n 1 320 VAL n 1 321 ARG n 1 322 LYS n 1 323 ALA n 1 324 LEU n 1 325 ASN n 1 326 ILE n 1 327 PRO n 1 328 GLU n 1 329 GLN n 1 330 LEU n 1 331 PRO n 1 332 GLN n 1 333 TRP n 1 334 ASP n 1 335 MET n 1 336 CYS n 1 337 ASN n 1 338 PHE n 1 339 LEU n 1 340 VAL n 1 341 ASN n 1 342 LEU n 1 343 GLN n 1 344 TYR n 1 345 ARG n 1 346 ARG n 1 347 LEU n 1 348 TYR n 1 349 ARG n 1 350 SER n 1 351 MET n 1 352 ASN n 1 353 SER n 1 354 GLN n 1 355 TYR n 1 356 LEU n 1 357 LYS n 1 358 LEU n 1 359 LEU n 1 360 SER n 1 361 SER n 1 362 GLN n 1 363 LYS n 1 364 TYR n 1 365 GLN n 1 366 ILE n 1 367 LEU n 1 368 LEU n 1 369 TYR n 1 370 ASN n 1 371 GLY n 1 372 ASP n 1 373 VAL n 1 374 ASP n 1 375 MET n 1 376 ALA n 1 377 CYS n 1 378 ASN n 1 379 PHE n 1 380 MET n 1 381 GLY n 1 382 ASP n 1 383 GLU n 1 384 TRP n 1 385 PHE n 1 386 VAL n 1 387 ASP n 1 388 SER n 1 389 LEU n 1 390 ASN n 1 391 GLN n 1 392 LYS n 1 393 MET n 1 394 GLU n 1 395 VAL n 1 396 GLN n 1 397 ARG n 1 398 ARG n 1 399 PRO n 1 400 TRP n 1 401 LEU n 1 402 VAL n 1 403 LYS n 1 404 TYR n 1 405 GLY n 1 406 ASP n 1 407 SER n 1 408 GLY n 1 409 GLU n 1 410 GLN n 1 411 ILE n 1 412 ALA n 1 413 GLY n 1 414 PHE n 1 415 VAL n 1 416 LYS n 1 417 GLU n 1 418 PHE n 1 419 SER n 1 420 HIS n 1 421 ILE n 1 422 ALA n 1 423 PHE n 1 424 LEU n 1 425 THR n 1 426 ILE n 1 427 LYS n 1 428 GLY n 1 429 ALA n 1 430 GLY n 1 431 HIS n 1 432 MET n 1 433 VAL n 1 434 PRO n 1 435 THR n 1 436 ASP n 1 437 LYS n 1 438 PRO n 1 439 LEU n 1 440 ALA n 1 441 ALA n 1 442 PHE n 1 443 THR n 1 444 MET n 1 445 PHE n 1 446 SER n 1 447 ARG n 1 448 PHE n 1 449 LEU n 1 450 ASN n 1 451 LYS n 1 452 GLN n 1 453 PRO n 1 454 TYR n 1 455 GLU n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name HUMAN _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'HOMO SAPIENS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name 'FALL ARMYWORM' _entity_src_gen.pdbx_host_org_scientific_name 'SPODOPTERA FRUGIPERDA' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line SF9 _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type BACULOVIRUS _entity_src_gen.pdbx_host_org_vector 'BACULOVIRUS PVL1393' _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PPGB_HUMAN _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P10619 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4CIB _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 3 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 454 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P10619 _struct_ref_seq.db_align_beg 29 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 480 _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 452 # 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 4CIB SER A 1 ? UNP P10619 ? ? 'expression tag' -1 1 1 4CIB ARG A 2 ? UNP P10619 ? ? 'expression tag' 0 2 1 4CIB GLU A 455 ? UNP P10619 ? ? 'expression tag' 453 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 7UZ non-polymer . '2-(cyclohexylmethyl)propanedioic acid' ? 'C10 H16 O4' 200.232 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 CD non-polymer . 'CADMIUM ION' ? 'Cd 2' 112.411 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 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 4CIB _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.42 _exptl_crystal.density_percent_sol 49.2 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 4.6 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details ;CATHEPSIN A WAS CRYSTALLIZED USING THE HANGING DROP METHOD: 1 UL OF PROTEIN SOLUTION, CONTAINING 6.5 MG/ML CATHEPSIN A, 25 MM TRIS-HCL (PH 8.0) AND 300 MM NACL, WAS MIXED WITH 1 UL RESERVOIR SOLUTION, CONTAINING 100 MM NAACETATE (PH 4.5), 18-20% PEG400 AND 100 MM CDCL2, AND SET TO EQUILIBRATE AT 4DEG.C. ROD-SHAPED CRYSTALS APPEARED IN ABOUT ONE WEEK. ; # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC CCD' _diffrn_detector.pdbx_collection_date 2007-08-29 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.93400 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-1' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-1 _diffrn_source.pdbx_wavelength 0.93400 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4CIB _reflns.observed_criterion_sigma_I -3.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 66.74 _reflns.d_resolution_high 1.89 _reflns.number_obs 35026 _reflns.number_all ? _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs 0.08 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 14.12 _reflns.B_iso_Wilson_estimate 20.2 _reflns.pdbx_redundancy 3.8 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.89 _reflns_shell.d_res_low 1.94 _reflns_shell.percent_possible_all 100.0 _reflns_shell.Rmerge_I_obs 0.35 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 3.76 _reflns_shell.pdbx_redundancy 3.8 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4CIB _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 33271 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 44.02 _refine.ls_d_res_high 1.89 _refine.ls_percent_reflns_obs 99.98 _refine.ls_R_factor_obs 0.14484 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.14141 _refine.ls_R_factor_R_free 0.21073 _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 1752 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.964 _refine.correlation_coeff_Fo_to_Fc_free 0.919 _refine.B_iso_mean 18.551 _refine.aniso_B[1][1] -0.05 _refine.aniso_B[2][2] 0.05 _refine.aniso_B[3][3] -0.03 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.09 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.' _refine.pdbx_starting_model 'PDB ENTRY 4AZ0' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.140 _refine.pdbx_overall_ESU_R_Free 0.145 _refine.overall_SU_ML 0.087 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 2.815 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3292 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 75 _refine_hist.number_atoms_solvent 908 _refine_hist.number_atoms_total 4275 _refine_hist.d_res_high 1.89 _refine_hist.d_res_low 44.02 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.013 0.022 ? 3460 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.409 1.975 ? 4710 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 5.755 5.000 ? 410 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 37.911 24.911 ? 169 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 12.274 15.000 ? 533 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 14.224 15.000 ? 12 'X-RAY DIFFRACTION' ? r_chiral_restr 0.097 0.200 ? 501 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.020 ? 2679 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.207 0.200 ? 1809 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.312 0.200 ? 2343 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.190 0.200 ? 687 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.181 0.200 ? 78 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.202 0.200 ? 87 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined 0.011 0.200 ? 1 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.803 1.500 ? 2108 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.300 2.000 ? 3305 'X-RAY DIFFRACTION' ? r_mcangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it 2.052 3.000 ? 1558 'X-RAY DIFFRACTION' ? r_scbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it 3.105 4.500 ? 1405 'X-RAY DIFFRACTION' ? r_scangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.890 _refine_ls_shell.d_res_low 1.939 _refine_ls_shell.number_reflns_R_work 2414 _refine_ls_shell.R_factor_R_work 0.165 _refine_ls_shell.percent_reflns_obs 100.00 _refine_ls_shell.R_factor_R_free 0.236 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 127 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 4CIB _struct.title 'crystal structure of cathepsin a, complexed with compound 2' _struct.pdbx_descriptor 'LYSOSOMAL PROTECTIVE PROTEIN (E.C.3.4.16.5)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4CIB _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text ;HYDROLASE, DRUG DISCOVERY, SERINE CARBOXYPEPTIDASE, CARDIOVASCULAR DRUG, HEART FAILURE, ENDOTHELIN, TETRAHEDRAL INTERMEDIATE, COVALENT INHIBITOR ; # 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 3 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 3 ? H N N 4 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 5 ? # _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 PRO A 4 ? ASP A 7 ? PRO A 2 ASP A 5 5 ? 4 HELX_P HELX_P2 2 SER A 64 ? THR A 70 ? SER A 62 THR A 68 1 ? 7 HELX_P HELX_P3 3 SER A 90 ? ILE A 94 ? SER A 88 ILE A 92 5 ? 5 HELX_P HELX_P4 4 ASN A 119 ? PHE A 138 ? ASN A 117 PHE A 136 1 ? 20 HELX_P HELX_P5 5 PRO A 139 ? LYS A 142 ? PRO A 137 LYS A 140 5 ? 4 HELX_P HELX_P6 6 TYR A 153 ? MET A 166 ? TYR A 151 MET A 164 1 ? 14 HELX_P HELX_P7 7 SER A 184 ? HIS A 199 ? SER A 182 HIS A 197 1 ? 16 HELX_P HELX_P8 8 GLY A 203 ? CYS A 214 ? GLY A 201 CYS A 212 1 ? 12 HELX_P HELX_P9 9 ASP A 227 ? ASN A 243 ? ASP A 225 ASN A 241 1 ? 17 HELX_P HELX_P10 10 THR A 308 ? ASN A 316 ? THR A 306 ASN A 314 1 ? 9 HELX_P HELX_P11 11 ASN A 317 ? LEU A 324 ? ASN A 315 LEU A 322 1 ? 8 HELX_P HELX_P12 12 ASN A 337 ? TYR A 344 ? ASN A 335 TYR A 342 1 ? 8 HELX_P HELX_P13 13 MET A 351 ? SER A 361 ? MET A 349 SER A 359 1 ? 11 HELX_P HELX_P14 14 ASN A 378 ? LEU A 389 ? ASN A 376 LEU A 387 1 ? 12 HELX_P HELX_P15 15 MET A 432 ? LYS A 437 ? MET A 430 LYS A 435 1 ? 6 HELX_P HELX_P16 16 LYS A 437 ? ASN A 450 ? LYS A 435 ASN A 448 1 ? 14 # _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 62 SG ? ? ? 1_555 A CYS 336 SG ? ? A CYS 60 A CYS 334 1_555 ? ? ? ? ? ? ? 2.054 ? disulf2 disulf ? ? A CYS 214 SG ? ? ? 1_555 A CYS 230 SG ? ? A CYS 212 A CYS 228 1_555 ? ? ? ? ? ? ? 2.025 ? disulf3 disulf ? ? A CYS 215 SG ? ? ? 1_555 A CYS 220 SG ? ? A CYS 213 A CYS 218 1_555 ? ? ? ? ? ? ? 2.045 ? disulf4 disulf ? ? A CYS 255 SG ? ? ? 1_555 A CYS 305 SG ? ? A CYS 253 A CYS 303 1_555 ? ? ? ? ? ? ? 2.035 ? covale1 covale ? ? A ASN 119 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 117 A NAG 3010 1_555 ? ? ? ? ? ? ? 1.451 ? covale2 covale ? ? A ASN 307 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 305 A NAG 3020 1_555 ? ? ? ? ? ? ? 1.439 ? metalc1 metalc ? ? C CD . CD ? ? ? 1_555 A GLU 328 OE1 ? ? A CD 1455 A GLU 326 4_456 ? ? ? ? ? ? ? 2.828 ? metalc2 metalc ? ? C CD . CD ? ? ? 1_555 A GLU 328 OE2 ? ? A CD 1455 A GLU 326 4_456 ? ? ? ? ? ? ? 2.345 ? metalc3 metalc ? ? C CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1455 A HOH 2513 1_555 ? ? ? ? ? ? ? 2.496 ? metalc4 metalc ? ? C CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1455 A HOH 2575 1_555 ? ? ? ? ? ? ? 2.415 ? metalc5 metalc ? ? C CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1455 A HOH 2583 1_555 ? ? ? ? ? ? ? 2.568 ? metalc6 metalc ? ? C CD . CD ? ? ? 1_555 A ASP 224 OD1 ? ? A CD 1455 A ASP 222 1_555 ? ? ? ? ? ? ? 2.354 ? metalc7 metalc ? ? C CD . CD ? ? ? 1_555 A ASP 224 OD2 ? ? A CD 1455 A ASP 222 1_555 ? ? ? ? ? ? ? 2.316 ? metalc8 metalc ? ? D CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1456 A HOH 2502 1_555 ? ? ? ? ? ? ? 2.321 ? metalc9 metalc ? ? D CD . CD ? ? ? 1_555 A GLY 181 O ? ? A CD 1456 A GLY 179 1_555 ? ? ? ? ? ? ? 2.240 ? metalc10 metalc ? ? D CD . CD ? ? ? 1_555 A ASP 382 OD1 ? ? A CD 1456 A ASP 380 1_555 ? ? ? ? ? ? ? 3.242 ? metalc11 metalc ? ? D CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1456 A HOH 2520 1_555 ? ? ? ? ? ? ? 2.482 ? metalc12 metalc ? ? D CD . CD ? ? ? 1_555 A ASP 382 OD2 ? ? A CD 1456 A ASP 380 1_555 ? ? ? ? ? ? ? 2.698 ? metalc13 metalc ? ? E CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1457 A HOH 2874 1_555 ? ? ? ? ? ? ? 2.460 ? metalc14 metalc ? ? E CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1457 A HOH 2513 1_555 ? ? ? ? ? ? ? 2.725 ? metalc15 metalc ? ? E CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1457 A HOH 2583 1_555 ? ? ? ? ? ? ? 2.644 ? metalc16 metalc ? ? E CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1457 A HOH 2512 1_555 ? ? ? ? ? ? ? 2.420 ? metalc17 metalc ? ? E CD . CD ? ? ? 1_555 A GLU 186 OE2 ? ? A CD 1457 A GLU 184 1_555 ? ? ? ? ? ? ? 2.300 ? metalc18 metalc ? ? E CD . CD ? ? ? 1_555 A GLU 186 OE1 ? ? A CD 1457 A GLU 184 1_555 ? ? ? ? ? ? ? 3.199 ? metalc19 metalc ? ? F CD . CD ? ? ? 1_555 A ASP 227 OD1 ? ? A CD 1458 A ASP 225 3_545 ? ? ? ? ? ? ? 2.660 ? metalc20 metalc ? ? F CD . CD ? ? ? 1_555 A ASP 227 OD2 ? ? A CD 1458 A ASP 225 3_545 ? ? ? ? ? ? ? 2.190 ? metalc21 metalc ? ? F CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1458 A HOH 2875 1_555 ? ? ? ? ? ? ? 2.574 ? metalc22 metalc ? ? F CD . CD ? ? ? 1_555 L HOH . O ? ? A CD 1458 A HOH 2018 1_555 ? ? ? ? ? ? ? 3.070 ? metalc23 metalc ? ? F CD . CD ? ? ? 1_555 A HIS 213 ND1 ? ? A CD 1458 A HIS 211 3_545 ? ? ? ? ? ? ? 2.352 ? metalc24 metalc ? ? F CD . CD ? ? ? 1_555 A ASP 5 OD2 ? ? A CD 1458 A ASP 3 1_555 ? ? ? ? ? ? ? 2.310 ? metalc25 metalc ? ? F CD . CD ? ? ? 1_555 A ASP 5 OD1 ? ? A CD 1458 A ASP 3 1_555 ? ? ? ? ? ? ? 2.444 ? metalc26 metalc ? ? G CD . CD ? ? ? 1_555 A ASN 188 OD1 ? ? A CD 1459 A ASN 186 1_555 ? ? ? ? ? ? ? 3.210 ? metalc27 metalc ? ? G CD . CD ? ? ? 1_555 A CYS 377 SG ? ? A CD 1459 A CYS 375 1_555 ? ? ? ? ? ? ? 2.457 ? covale3 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 3010 A NAG 3011 1_555 ? ? ? ? ? ? ? 1.445 ? covale4 covale ? ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? A NAG 3020 A NAG 3021 1_555 ? ? ? ? ? ? ? 1.454 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 GLY 59 A . ? GLY 57 A PRO 60 A ? PRO 58 A 1 -1.10 2 SER 102 A . ? SER 100 A PRO 103 A ? PRO 101 A 1 0.44 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 2 ? AB ? 2 ? AC ? 10 ? AD ? 10 ? AE ? 2 ? AF ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA 1 2 ? anti-parallel AB 1 2 ? parallel AC 1 2 ? anti-parallel AC 2 3 ? anti-parallel AC 3 4 ? parallel AC 4 5 ? parallel AC 5 6 ? parallel AC 6 7 ? parallel AC 7 8 ? parallel AC 8 9 ? anti-parallel AC 9 10 ? parallel AD 1 2 ? anti-parallel AD 2 3 ? anti-parallel AD 3 4 ? parallel AD 4 5 ? parallel AD 5 6 ? parallel AD 6 7 ? parallel AD 7 8 ? parallel AD 8 9 ? anti-parallel AD 9 10 ? anti-parallel AE 1 2 ? anti-parallel AF 1 2 ? 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 AA 1 GLN A 23 ? LYS A 29 ? GLN A 21 LYS A 27 AA 2 LYS A 34 ? VAL A 41 ? LYS A 32 VAL A 39 AB 1 TYR A 110 ? SER A 111 ? TYR A 108 SER A 109 AB 2 LYS A 34 ? VAL A 41 ? LYS A 32 VAL A 39 AC 1 ARG A 398 ? LYS A 403 ? ARG A 396 LYS A 401 AC 2 GLU A 409 ? PHE A 418 ? GLU A 407 PHE A 416 AC 3 ILE A 421 ? ILE A 426 ? ILE A 419 ILE A 424 AC 4 GLN A 365 ? GLY A 371 ? GLN A 363 GLY A 369 AC 5 LEU A 173 ? GLY A 179 ? LEU A 171 GLY A 177 AC 6 LEU A 146 ? GLU A 151 ? LEU A 144 GLU A 149 AC 7 VAL A 52 ? LEU A 56 ? VAL A 50 LEU A 54 AC 8 ASN A 96 ? LEU A 100 ? ASN A 94 LEU A 98 AC 9 LYS A 34 ? VAL A 41 ? LYS A 32 VAL A 39 AC 10 TYR A 110 ? SER A 111 ? TYR A 108 SER A 109 AD 1 ARG A 398 ? LYS A 403 ? ARG A 396 LYS A 401 AD 2 GLU A 409 ? PHE A 418 ? GLU A 407 PHE A 416 AD 3 ILE A 421 ? ILE A 426 ? ILE A 419 ILE A 424 AD 4 GLN A 365 ? GLY A 371 ? GLN A 363 GLY A 369 AD 5 LEU A 173 ? GLY A 179 ? LEU A 171 GLY A 177 AD 6 LEU A 146 ? GLU A 151 ? LEU A 144 GLU A 149 AD 7 VAL A 52 ? LEU A 56 ? VAL A 50 LEU A 54 AD 8 ASN A 96 ? LEU A 100 ? ASN A 94 LEU A 98 AD 9 LYS A 34 ? VAL A 41 ? LYS A 32 VAL A 39 AD 10 GLN A 23 ? LYS A 29 ? GLN A 21 LYS A 27 AE 1 PHE A 75 ? VAL A 77 ? PHE A 73 VAL A 75 AE 2 LEU A 84 ? TYR A 86 ? LEU A 82 TYR A 84 AF 1 CYS A 215 ? SER A 216 ? CYS A 213 SER A 214 AF 2 LYS A 219 ? CYS A 220 ? LYS A 217 CYS A 218 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA 1 2 N LEU A 28 ? N LEU A 26 O LEU A 36 ? O LEU A 34 AB 1 2 N TYR A 110 ? N TYR A 108 O HIS A 35 ? O HIS A 33 AC 1 2 N VAL A 402 ? N VAL A 400 O GLN A 410 ? O GLN A 408 AC 2 3 N PHE A 418 ? N PHE A 416 O ILE A 421 ? O ILE A 419 AC 3 4 N ALA A 422 ? N ALA A 420 O ILE A 366 ? O ILE A 364 AC 4 5 N GLN A 365 ? N GLN A 363 O GLN A 174 ? O GLN A 172 AC 5 6 N GLN A 174 ? N GLN A 172 O LEU A 146 ? O LEU A 144 AC 6 7 N PHE A 147 ? N PHE A 145 O VAL A 52 ? O VAL A 50 AC 7 8 N VAL A 53 ? N VAL A 51 O ASN A 96 ? O ASN A 94 AC 8 9 N TYR A 99 ? N TYR A 97 O TRP A 39 ? O TRP A 37 AC 9 10 N HIS A 35 ? N HIS A 33 O TYR A 110 ? O TYR A 108 AD 1 2 N VAL A 402 ? N VAL A 400 O GLN A 410 ? O GLN A 408 AD 2 3 N PHE A 418 ? N PHE A 416 O ILE A 421 ? O ILE A 419 AD 3 4 N ALA A 422 ? N ALA A 420 O ILE A 366 ? O ILE A 364 AD 4 5 N GLN A 365 ? N GLN A 363 O GLN A 174 ? O GLN A 172 AD 5 6 N GLN A 174 ? N GLN A 172 O LEU A 146 ? O LEU A 144 AD 6 7 N PHE A 147 ? N PHE A 145 O VAL A 52 ? O VAL A 50 AD 7 8 N VAL A 53 ? N VAL A 51 O ASN A 96 ? O ASN A 94 AD 8 9 N TYR A 99 ? N TYR A 97 O TRP A 39 ? O TRP A 37 AD 9 10 N PHE A 40 ? N PHE A 38 O TYR A 24 ? O TYR A 22 AE 1 2 N LEU A 76 ? N LEU A 74 O GLU A 85 ? O GLU A 83 AF 1 2 N SER A 216 ? N SER A 214 O LYS A 219 ? O LYS A 217 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE 7UZ A 1454' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE CD A 1455' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE CD A 1456' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE CD A 1457' AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE CD A 1458' AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CD A 1459' AC7 Software ? ? ? ? 14 'Binding site for Poly-Saccharide residues NAG A3010 through NAG A3011 bound to ASN A 117' AC8 Software ? ? ? ? 10 'Binding site for Poly-Saccharide residues NAG A3020 through NAG A3021 bound to ASN A 305' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 11 ASN A 57 ? ASN A 55 . ? 1_555 ? 2 AC1 11 GLY A 58 ? GLY A 56 . ? 1_555 ? 3 AC1 11 GLY A 59 ? GLY A 57 . ? 1_555 ? 4 AC1 11 CYS A 62 ? CYS A 60 . ? 1_555 ? 5 AC1 11 GLU A 151 ? GLU A 149 . ? 1_555 ? 6 AC1 11 SER A 152 ? SER A 150 . ? 1_555 ? 7 AC1 11 TYR A 153 ? TYR A 151 . ? 1_555 ? 8 AC1 11 MET A 335 ? MET A 333 . ? 1_555 ? 9 AC1 11 HIS A 431 ? HIS A 429 . ? 1_555 ? 10 AC1 11 HOH L . ? HOH A 2211 . ? 1_555 ? 11 AC1 11 HOH L . ? HOH A 2633 . ? 1_555 ? 12 AC2 5 ASP A 224 ? ASP A 222 . ? 1_555 ? 13 AC2 5 GLU A 328 ? GLU A 326 . ? 4_456 ? 14 AC2 5 HOH L . ? HOH A 2513 . ? 1_555 ? 15 AC2 5 HOH L . ? HOH A 2575 . ? 1_555 ? 16 AC2 5 HOH L . ? HOH A 2583 . ? 1_555 ? 17 AC3 5 GLY A 181 ? GLY A 179 . ? 1_555 ? 18 AC3 5 CYS A 377 ? CYS A 375 . ? 1_555 ? 19 AC3 5 ASP A 382 ? ASP A 380 . ? 1_555 ? 20 AC3 5 HOH L . ? HOH A 2502 . ? 1_555 ? 21 AC3 5 HOH L . ? HOH A 2520 . ? 1_555 ? 22 AC4 5 GLU A 186 ? GLU A 184 . ? 1_555 ? 23 AC4 5 HOH L . ? HOH A 2512 . ? 1_555 ? 24 AC4 5 HOH L . ? HOH A 2513 . ? 1_555 ? 25 AC4 5 HOH L . ? HOH A 2583 . ? 1_555 ? 26 AC4 5 HOH L . ? HOH A 2874 . ? 1_555 ? 27 AC5 5 ASP A 5 ? ASP A 3 . ? 1_555 ? 28 AC5 5 HIS A 213 ? HIS A 211 . ? 3_545 ? 29 AC5 5 ASP A 227 ? ASP A 225 . ? 3_545 ? 30 AC5 5 HOH L . ? HOH A 2018 . ? 1_555 ? 31 AC5 5 HOH L . ? HOH A 2875 . ? 1_555 ? 32 AC6 4 LEU A 182 ? LEU A 180 . ? 1_555 ? 33 AC6 4 ASN A 188 ? ASN A 186 . ? 1_555 ? 34 AC6 4 ALA A 376 ? ALA A 374 . ? 1_555 ? 35 AC6 4 CYS A 377 ? CYS A 375 . ? 1_555 ? 36 AC7 14 ASN A 119 ? ASN A 117 . ? 1_555 ? 37 AC7 14 GLU A 122 ? GLU A 120 . ? 1_555 ? 38 AC7 14 ARG A 345 ? ARG A 343 . ? 1_555 ? 39 AC7 14 HOH L . ? HOH A 2367 . ? 1_555 ? 40 AC7 14 HOH L . ? HOH A 2374 . ? 1_555 ? 41 AC7 14 HOH L . ? HOH A 2381 . ? 1_555 ? 42 AC7 14 HOH L . ? HOH A 2876 . ? 1_555 ? 43 AC7 14 HOH L . ? HOH A 2877 . ? 1_555 ? 44 AC7 14 HOH L . ? HOH A 2879 . ? 1_555 ? 45 AC7 14 HOH L . ? HOH A 2880 . ? 1_555 ? 46 AC7 14 HOH L . ? HOH A 2881 . ? 1_555 ? 47 AC7 14 HOH L . ? HOH A 2882 . ? 1_555 ? 48 AC7 14 HOH L . ? HOH A 2885 . ? 1_555 ? 49 AC7 14 HOH L . ? HOH A 2886 . ? 1_555 ? 50 AC8 10 PRO A 79 ? PRO A 77 . ? 1_555 ? 51 AC8 10 ASP A 80 ? ASP A 78 . ? 1_555 ? 52 AC8 10 ASN A 307 ? ASN A 305 . ? 1_555 ? 53 AC8 10 THR A 309 ? THR A 307 . ? 1_555 ? 54 AC8 10 HOH L . ? HOH A 2251 . ? 1_555 ? 55 AC8 10 HOH L . ? HOH A 2890 . ? 1_555 ? 56 AC8 10 HOH L . ? HOH A 2893 . ? 1_555 ? 57 AC8 10 HOH L . ? HOH A 2894 . ? 1_555 ? 58 AC8 10 HOH L . ? HOH A 2895 . ? 1_555 ? 59 AC8 10 HOH L . ? HOH A 2896 . ? 1_555 ? # _database_PDB_matrix.entry_id 4CIB _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 4CIB _atom_sites.fract_transf_matrix[1][1] 0.011155 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.002156 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.009754 _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] 0.020620 _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 CD N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ARG A 1 2 ? -1.683 -4.102 15.458 1.00 23.60 ? 0 ARG A N 1 ATOM 2 C CA . ARG A 1 2 ? -2.361 -3.702 14.188 1.00 22.95 ? 0 ARG A CA 1 ATOM 3 C C . ARG A 1 2 ? -3.841 -3.353 14.367 1.00 22.26 ? 0 ARG A C 1 ATOM 4 O O . ARG A 1 2 ? -4.322 -2.363 13.798 1.00 22.52 ? 0 ARG A O 1 ATOM 5 C CB . ARG A 1 2 ? -2.200 -4.797 13.143 1.00 23.50 ? 0 ARG A CB 1 ATOM 6 N N . ALA A 1 3 ? -4.555 -4.195 15.110 1.00 21.11 ? 1 ALA A N 1 ATOM 7 C CA . ALA A 1 3 ? -5.994 -4.055 15.387 1.00 19.50 ? 1 ALA A CA 1 ATOM 8 C C . ALA A 1 3 ? -6.300 -4.752 16.716 1.00 18.30 ? 1 ALA A C 1 ATOM 9 O O . ALA A 1 3 ? -5.573 -5.667 17.114 1.00 17.93 ? 1 ALA A O 1 ATOM 10 C CB . ALA A 1 3 ? -6.837 -4.662 14.238 1.00 19.48 ? 1 ALA A CB 1 ATOM 11 N N . PRO A 1 4 ? -7.354 -4.314 17.431 1.00 17.22 ? 2 PRO A N 1 ATOM 12 C CA . PRO A 1 4 ? -7.591 -4.910 18.748 1.00 15.49 ? 2 PRO A CA 1 ATOM 13 C C . PRO A 1 4 ? -8.370 -6.235 18.665 1.00 14.32 ? 2 PRO A C 1 ATOM 14 O O . PRO A 1 4 ? -9.595 -6.252 18.603 1.00 12.76 ? 2 PRO A O 1 ATOM 15 C CB . PRO A 1 4 ? -8.394 -3.825 19.481 1.00 16.44 ? 2 PRO A CB 1 ATOM 16 C CG . PRO A 1 4 ? -9.140 -3.108 18.403 1.00 17.07 ? 2 PRO A CG 1 ATOM 17 C CD . PRO A 1 4 ? -8.331 -3.250 17.119 1.00 16.84 ? 2 PRO A CD 1 ATOM 18 N N . ASP A 1 5 ? -7.639 -7.348 18.652 1.00 12.20 ? 3 ASP A N 1 ATOM 19 C CA . ASP A 1 5 ? -8.248 -8.673 18.652 1.00 10.86 ? 3 ASP A CA 1 ATOM 20 C C . ASP A 1 5 ? -9.237 -8.871 19.791 1.00 10.96 ? 3 ASP A C 1 ATOM 21 O O . ASP A 1 5 ? -10.216 -9.595 19.626 1.00 9.64 ? 3 ASP A O 1 ATOM 22 C CB . ASP A 1 5 ? -7.162 -9.752 18.728 1.00 10.20 ? 3 ASP A CB 1 ATOM 23 C CG . ASP A 1 5 ? -6.355 -9.841 17.447 1.00 9.74 ? 3 ASP A CG 1 ATOM 24 O OD1 . ASP A 1 5 ? -6.760 -9.219 16.441 1.00 9.32 ? 3 ASP A OD1 1 ATOM 25 O OD2 . ASP A 1 5 ? -5.330 -10.540 17.431 1.00 9.91 ? 3 ASP A OD2 1 ATOM 26 N N . GLN A 1 6 ? -8.975 -8.252 20.946 1.00 11.31 ? 4 GLN A N 1 ATOM 27 C CA . GLN A 1 6 ? -9.869 -8.414 22.116 1.00 12.88 ? 4 GLN A CA 1 ATOM 28 C C . GLN A 1 6 ? -11.258 -7.822 21.852 1.00 12.25 ? 4 GLN A C 1 ATOM 29 O O . GLN A 1 6 ? -12.247 -8.224 22.480 1.00 12.66 ? 4 GLN A O 1 ATOM 30 C CB . GLN A 1 6 ? -9.260 -7.768 23.373 1.00 13.67 ? 4 GLN A CB 1 ATOM 31 C CG . GLN A 1 6 ? -7.996 -8.499 23.880 1.00 14.59 ? 4 GLN A CG 1 ATOM 32 C CD . GLN A 1 6 ? -7.198 -7.681 24.880 1.00 16.04 ? 4 GLN A CD 1 ATOM 33 O OE1 . GLN A 1 6 ? -7.417 -7.767 26.099 1.00 18.95 ? 4 GLN A OE1 1 ATOM 34 N NE2 . GLN A 1 6 ? -6.244 -6.905 24.377 1.00 16.66 ? 4 GLN A NE2 1 ATOM 35 N N . ASP A 1 7 ? -11.336 -6.872 20.924 1.00 11.39 ? 5 ASP A N 1 ATOM 36 C CA . ASP A 1 7 ? -12.617 -6.238 20.608 1.00 10.83 ? 5 ASP A CA 1 ATOM 37 C C . ASP A 1 7 ? -13.330 -6.910 19.435 1.00 10.94 ? 5 ASP A C 1 ATOM 38 O O . ASP A 1 7 ? -14.472 -6.559 19.138 1.00 9.51 ? 5 ASP A O 1 ATOM 39 C CB . ASP A 1 7 ? -12.424 -4.764 20.249 1.00 11.02 ? 5 ASP A CB 1 ATOM 40 C CG . ASP A 1 7 ? -12.092 -3.894 21.443 1.00 11.52 ? 5 ASP A CG 1 ATOM 41 O OD1 . ASP A 1 7 ? -12.114 -4.388 22.591 1.00 11.19 ? 5 ASP A OD1 1 ATOM 42 O OD2 . ASP A 1 7 ? -11.810 -2.696 21.219 1.00 10.59 ? 5 ASP A OD2 1 ATOM 43 N N . GLU A 1 8 ? -12.670 -7.860 18.766 1.00 10.85 ? 6 GLU A N 1 ATOM 44 C CA . GLU A 1 8 ? -13.274 -8.464 17.572 1.00 12.02 ? 6 GLU A CA 1 ATOM 45 C C . GLU A 1 8 ? -14.547 -9.206 17.968 1.00 12.08 ? 6 GLU A C 1 ATOM 46 O O . GLU A 1 8 ? -14.595 -9.807 19.033 1.00 12.61 ? 6 GLU A O 1 ATOM 47 C CB . GLU A 1 8 ? -12.294 -9.383 16.823 1.00 12.01 ? 6 GLU A CB 1 ATOM 48 C CG . GLU A 1 8 ? -12.780 -9.663 15.389 1.00 12.21 ? 6 GLU A CG 1 ATOM 49 C CD . GLU A 1 8 ? -11.778 -10.389 14.492 1.00 13.81 ? 6 GLU A CD 1 ATOM 50 O OE1 . GLU A 1 8 ? -10.591 -10.532 14.869 1.00 15.65 ? 6 GLU A OE1 1 ATOM 51 O OE2 . GLU A 1 8 ? -12.204 -10.820 13.390 1.00 14.36 ? 6 GLU A OE2 1 ATOM 52 N N . ILE A 1 9 ? -15.576 -9.108 17.132 1.00 11.36 ? 7 ILE A N 1 ATOM 53 C CA . ILE A 1 9 ? -16.828 -9.831 17.309 1.00 11.82 ? 7 ILE A CA 1 ATOM 54 C C . ILE A 1 9 ? -16.690 -11.143 16.577 1.00 13.64 ? 7 ILE A C 1 ATOM 55 O O . ILE A 1 9 ? -16.422 -11.156 15.363 1.00 13.50 ? 7 ILE A O 1 ATOM 56 C CB . ILE A 1 9 ? -18.026 -9.068 16.697 1.00 10.76 ? 7 ILE A CB 1 ATOM 57 C CG1 . ILE A 1 9 ? -18.214 -7.688 17.351 1.00 10.23 ? 7 ILE A CG1 1 ATOM 58 C CG2 . ILE A 1 9 ? -19.327 -9.890 16.824 1.00 10.40 ? 7 ILE A CG2 1 ATOM 59 C CD1 . ILE A 1 9 ? -19.094 -6.750 16.453 1.00 10.29 ? 7 ILE A CD1 1 ATOM 60 N N . GLN A 1 10 ? -16.867 -12.228 17.312 1.00 15.87 ? 8 GLN A N 1 ATOM 61 C CA . GLN A 1 10 ? -16.669 -13.573 16.778 1.00 19.00 ? 8 GLN A CA 1 ATOM 62 C C . GLN A 1 10 ? -17.884 -14.120 16.033 1.00 19.55 ? 8 GLN A C 1 ATOM 63 O O . GLN A 1 10 ? -17.819 -14.364 14.820 1.00 20.87 ? 8 GLN A O 1 ATOM 64 C CB . GLN A 1 10 ? -16.243 -14.535 17.898 1.00 19.29 ? 8 GLN A CB 1 ATOM 65 C CG . GLN A 1 10 ? -15.088 -14.010 18.725 1.00 23.81 ? 8 GLN A CG 1 ATOM 66 C CD . GLN A 1 10 ? -14.106 -15.092 19.121 1.00 28.87 ? 8 GLN A CD 1 ATOM 67 O OE1 . GLN A 1 10 ? -14.065 -15.509 20.280 1.00 34.10 ? 8 GLN A OE1 1 ATOM 68 N NE2 . GLN A 1 10 ? -13.309 -15.553 18.161 1.00 30.31 ? 8 GLN A NE2 1 ATOM 69 N N . ARG A 1 11 ? -18.967 -14.340 16.775 1.00 19.86 ? 9 ARG A N 1 ATOM 70 C CA . ARG A 1 11 ? -20.199 -14.877 16.239 1.00 20.44 ? 9 ARG A CA 1 ATOM 71 C C . ARG A 1 11 ? -21.348 -14.035 16.800 1.00 18.86 ? 9 ARG A C 1 ATOM 72 O O . ARG A 1 11 ? -21.643 -14.052 17.999 1.00 18.91 ? 9 ARG A O 1 ATOM 73 C CB . ARG A 1 11 ? -20.357 -16.350 16.625 1.00 20.84 ? 9 ARG A CB 1 ATOM 74 C CG . ARG A 1 11 ? -21.468 -17.092 15.888 1.00 22.50 ? 9 ARG A CG 1 ATOM 75 C CD . ARG A 1 11 ? -21.542 -18.580 16.299 1.00 24.09 ? 9 ARG A CD 1 ATOM 76 N NE . ARG A 1 11 ? -22.683 -19.250 15.666 1.00 31.41 ? 9 ARG A NE 1 ATOM 77 C CZ . ARG A 1 11 ? -22.638 -19.839 14.470 1.00 34.12 ? 9 ARG A CZ 1 ATOM 78 N NH1 . ARG A 1 11 ? -21.506 -19.856 13.777 1.00 34.47 ? 9 ARG A NH1 1 ATOM 79 N NH2 . ARG A 1 11 ? -23.726 -20.415 13.965 1.00 34.37 ? 9 ARG A NH2 1 ATOM 80 N N . LEU A 1 12 ? -21.985 -13.285 15.921 1.00 17.61 ? 10 LEU A N 1 ATOM 81 C CA . LEU A 1 12 ? -23.065 -12.407 16.328 1.00 15.84 ? 10 LEU A CA 1 ATOM 82 C C . LEU A 1 12 ? -24.379 -13.164 16.292 1.00 14.94 ? 10 LEU A C 1 ATOM 83 O O . LEU A 1 12 ? -24.716 -13.709 15.254 1.00 15.03 ? 10 LEU A O 1 ATOM 84 C CB . LEU A 1 12 ? -23.113 -11.222 15.369 1.00 16.33 ? 10 LEU A CB 1 ATOM 85 C CG . LEU A 1 12 ? -23.939 -10.022 15.786 1.00 15.15 ? 10 LEU A CG 1 ATOM 86 C CD1 . LEU A 1 12 ? -23.363 -9.400 17.087 1.00 12.93 ? 10 LEU A CD1 1 ATOM 87 C CD2 . LEU A 1 12 ? -23.917 -9.040 14.650 1.00 12.95 ? 10 LEU A CD2 1 ATOM 88 N N . PRO A 1 13 ? -25.130 -13.202 17.418 1.00 14.69 ? 11 PRO A N 1 ATOM 89 C CA . PRO A 1 13 ? -26.449 -13.850 17.366 1.00 14.47 ? 11 PRO A CA 1 ATOM 90 C C . PRO A 1 13 ? -27.414 -13.232 16.340 1.00 14.36 ? 11 PRO A C 1 ATOM 91 O O . PRO A 1 13 ? -27.398 -12.009 16.101 1.00 14.12 ? 11 PRO A O 1 ATOM 92 C CB . PRO A 1 13 ? -26.990 -13.702 18.801 1.00 14.45 ? 11 PRO A CB 1 ATOM 93 C CG . PRO A 1 13 ? -25.808 -13.368 19.653 1.00 13.37 ? 11 PRO A CG 1 ATOM 94 C CD . PRO A 1 13 ? -24.802 -12.705 18.771 1.00 14.23 ? 11 PRO A CD 1 ATOM 95 N N . GLY A 1 14 ? -28.230 -14.093 15.729 1.00 14.56 ? 12 GLY A N 1 ATOM 96 C CA . GLY A 1 14 ? -29.274 -13.648 14.815 1.00 14.59 ? 12 GLY A CA 1 ATOM 97 C C . GLY A 1 14 ? -28.861 -13.673 13.359 1.00 14.47 ? 12 GLY A C 1 ATOM 98 O O . GLY A 1 14 ? -29.703 -13.493 12.495 1.00 14.48 ? 12 GLY A O 1 ATOM 99 N N . LEU A 1 15 ? -27.574 -13.911 13.083 1.00 15.07 ? 13 LEU A N 1 ATOM 100 C CA . LEU A 1 15 ? -27.106 -14.000 11.696 1.00 16.13 ? 13 LEU A CA 1 ATOM 101 C C . LEU A 1 15 ? -27.092 -15.432 11.218 1.00 16.57 ? 13 LEU A C 1 ATOM 102 O O . LEU A 1 15 ? -26.487 -16.291 11.865 1.00 16.53 ? 13 LEU A O 1 ATOM 103 C CB . LEU A 1 15 ? -25.689 -13.441 11.536 1.00 16.39 ? 13 LEU A CB 1 ATOM 104 C CG . LEU A 1 15 ? -25.468 -11.948 11.610 1.00 16.52 ? 13 LEU A CG 1 ATOM 105 C CD1 . LEU A 1 15 ? -23.977 -11.702 11.611 1.00 17.45 ? 13 LEU A CD1 1 ATOM 106 C CD2 . LEU A 1 15 ? -26.164 -11.246 10.431 1.00 14.70 ? 13 LEU A CD2 1 ATOM 107 N N . ALA A 1 16 ? -27.716 -15.668 10.064 1.00 15.93 ? 14 ALA A N 1 ATOM 108 C CA . ALA A 1 16 ? -27.816 -17.012 9.483 1.00 16.35 ? 14 ALA A CA 1 ATOM 109 C C . ALA A 1 16 ? -26.562 -17.426 8.697 1.00 15.98 ? 14 ALA A C 1 ATOM 110 O O . ALA A 1 16 ? -26.363 -18.612 8.413 1.00 15.90 ? 14 ALA A O 1 ATOM 111 C CB . ALA A 1 16 ? -29.031 -17.087 8.584 1.00 16.07 ? 14 ALA A CB 1 ATOM 112 N N . LYS A 1 17 ? -25.747 -16.437 8.337 1.00 15.73 ? 15 LYS A N 1 ATOM 113 C CA . LYS A 1 17 ? -24.498 -16.653 7.613 1.00 15.70 ? 15 LYS A CA 1 ATOM 114 C C . LYS A 1 17 ? -23.435 -15.771 8.242 1.00 16.07 ? 15 LYS A C 1 ATOM 115 O O . LYS A 1 17 ? -23.718 -14.673 8.715 1.00 15.22 ? 15 LYS A O 1 ATOM 116 C CB . LYS A 1 17 ? -24.644 -16.303 6.122 1.00 16.00 ? 15 LYS A CB 1 ATOM 117 C CG . LYS A 1 17 ? -25.733 -17.097 5.353 1.00 15.23 ? 15 LYS A CG 1 ATOM 118 C CD . LYS A 1 17 ? -25.644 -16.815 3.837 1.00 15.97 ? 15 LYS A CD 1 ATOM 119 C CE . LYS A 1 17 ? -26.939 -17.232 3.087 1.00 16.43 ? 15 LYS A CE 1 ATOM 120 N NZ . LYS A 1 17 ? -26.807 -17.069 1.593 1.00 17.29 ? 15 LYS A NZ 1 ATOM 121 N N . GLN A 1 18 ? -22.198 -16.246 8.230 1.00 16.16 ? 16 GLN A N 1 ATOM 122 C CA . GLN A 1 18 ? -21.124 -15.485 8.846 1.00 16.64 ? 16 GLN A CA 1 ATOM 123 C C . GLN A 1 18 ? -20.645 -14.381 7.918 1.00 15.89 ? 16 GLN A C 1 ATOM 124 O O . GLN A 1 18 ? -20.643 -14.556 6.683 1.00 16.05 ? 16 GLN A O 1 ATOM 125 C CB . GLN A 1 18 ? -20.009 -16.426 9.326 1.00 17.22 ? 16 GLN A CB 1 ATOM 126 C CG . GLN A 1 18 ? -20.489 -17.330 10.507 1.00 20.63 ? 16 GLN A CG 1 ATOM 127 C CD . GLN A 1 18 ? -21.287 -16.555 11.595 1.00 26.61 ? 16 GLN A CD 1 ATOM 128 O OE1 . GLN A 1 18 ? -20.841 -15.517 12.106 1.00 28.18 ? 16 GLN A OE1 1 ATOM 129 N NE2 . GLN A 1 18 ? -22.476 -17.055 11.924 1.00 27.54 ? 16 GLN A NE2 1 ATOM 130 N N . PRO A 1 19 ? -20.305 -13.208 8.490 1.00 15.34 ? 17 PRO A N 1 ATOM 131 C CA . PRO A 1 19 ? -19.886 -12.084 7.660 1.00 15.96 ? 17 PRO A CA 1 ATOM 132 C C . PRO A 1 19 ? -18.621 -12.323 6.862 1.00 16.54 ? 17 PRO A C 1 ATOM 133 O O . PRO A 1 19 ? -17.749 -13.077 7.286 1.00 17.70 ? 17 PRO A O 1 ATOM 134 C CB . PRO A 1 19 ? -19.665 -10.946 8.676 1.00 15.06 ? 17 PRO A CB 1 ATOM 135 C CG . PRO A 1 19 ? -20.475 -11.335 9.863 1.00 15.24 ? 17 PRO A CG 1 ATOM 136 C CD . PRO A 1 19 ? -20.336 -12.834 9.921 1.00 15.03 ? 17 PRO A CD 1 ATOM 137 N N . SER A 1 20 ? -18.527 -11.667 5.715 1.00 17.47 ? 18 SER A N 1 ATOM 138 C CA . SER A 1 20 ? -17.319 -11.766 4.907 1.00 18.54 ? 18 SER A CA 1 ATOM 139 C C . SER A 1 20 ? -16.241 -10.832 5.462 1.00 17.88 ? 18 SER A C 1 ATOM 140 O O . SER A 1 20 ? -15.048 -11.034 5.204 1.00 19.23 ? 18 SER A O 1 ATOM 141 C CB . SER A 1 20 ? -17.613 -11.480 3.428 1.00 18.57 ? 18 SER A CB 1 ATOM 142 O OG . SER A 1 20 ? -18.324 -10.260 3.239 1.00 22.06 ? 18 SER A OG 1 ATOM 143 N N . PHE A 1 21 ? -16.669 -9.855 6.266 1.00 15.40 ? 19 PHE A N 1 ATOM 144 C CA . PHE A 1 21 ? -15.806 -8.791 6.783 1.00 13.60 ? 19 PHE A CA 1 ATOM 145 C C . PHE A 1 21 ? -15.592 -8.946 8.297 1.00 12.62 ? 19 PHE A C 1 ATOM 146 O O . PHE A 1 21 ? -16.436 -9.536 9.015 1.00 12.71 ? 19 PHE A O 1 ATOM 147 C CB . PHE A 1 21 ? -16.469 -7.445 6.488 1.00 12.87 ? 19 PHE A CB 1 ATOM 148 C CG . PHE A 1 21 ? -17.866 -7.339 7.038 1.00 12.59 ? 19 PHE A CG 1 ATOM 149 C CD1 . PHE A 1 21 ? -18.961 -7.792 6.299 1.00 13.28 ? 19 PHE A CD1 1 ATOM 150 C CD2 . PHE A 1 21 ? -18.081 -6.816 8.312 1.00 12.78 ? 19 PHE A CD2 1 ATOM 151 C CE1 . PHE A 1 21 ? -20.254 -7.721 6.818 1.00 13.35 ? 19 PHE A CE1 1 ATOM 152 C CE2 . PHE A 1 21 ? -19.363 -6.741 8.848 1.00 13.50 ? 19 PHE A CE2 1 ATOM 153 C CZ . PHE A 1 21 ? -20.452 -7.198 8.101 1.00 13.67 ? 19 PHE A CZ 1 ATOM 154 N N . ARG A 1 22 ? -14.472 -8.431 8.788 1.00 11.30 ? 20 ARG A N 1 ATOM 155 C CA . ARG A 1 22 ? -14.223 -8.406 10.237 1.00 12.11 ? 20 ARG A CA 1 ATOM 156 C C . ARG A 1 22 ? -14.983 -7.227 10.858 1.00 10.71 ? 20 ARG A C 1 ATOM 157 O O . ARG A 1 22 ? -15.211 -6.209 10.207 1.00 10.02 ? 20 ARG A O 1 ATOM 158 C CB . ARG A 1 22 ? -12.723 -8.324 10.553 1.00 11.45 ? 20 ARG A CB 1 ATOM 159 C CG . ARG A 1 22 ? -11.921 -9.534 10.043 1.00 14.01 ? 20 ARG A CG 1 ATOM 160 C CD . ARG A 1 22 ? -10.394 -9.326 10.186 1.00 14.53 ? 20 ARG A CD 1 ATOM 161 N NE . ARG A 1 22 ? -9.880 -8.286 9.279 1.00 21.82 ? 20 ARG A NE 1 ATOM 162 C CZ . ARG A 1 22 ? -9.689 -8.429 7.961 1.00 21.76 ? 20 ARG A CZ 1 ATOM 163 N NH1 . ARG A 1 22 ? -9.949 -9.583 7.354 1.00 22.14 ? 20 ARG A NH1 1 ATOM 164 N NH2 . ARG A 1 22 ? -9.224 -7.406 7.242 1.00 23.50 ? 20 ARG A NH2 1 ATOM 165 N N . GLN A 1 23 ? -15.409 -7.401 12.099 1.00 10.50 ? 21 GLN A N 1 ATOM 166 C CA . GLN A 1 23 ? -16.102 -6.342 12.833 1.00 10.31 ? 21 GLN A CA 1 ATOM 167 C C . GLN A 1 23 ? -15.709 -6.371 14.309 1.00 10.55 ? 21 GLN A C 1 ATOM 168 O O . GLN A 1 23 ? -15.331 -7.436 14.836 1.00 10.30 ? 21 GLN A O 1 ATOM 169 C CB . GLN A 1 23 ? -17.624 -6.457 12.670 1.00 10.27 ? 21 GLN A CB 1 ATOM 170 C CG . GLN A 1 23 ? -18.162 -7.878 12.831 1.00 8.97 ? 21 GLN A CG 1 ATOM 171 C CD . GLN A 1 23 ? -19.666 -7.934 13.014 1.00 9.52 ? 21 GLN A CD 1 ATOM 172 O OE1 . GLN A 1 23 ? -20.349 -6.906 13.033 1.00 9.36 ? 21 GLN A OE1 1 ATOM 173 N NE2 . GLN A 1 23 ? -20.196 -9.144 13.136 1.00 9.40 ? 21 GLN A NE2 1 ATOM 174 N N . TYR A 1 24 ? -15.786 -5.198 14.952 1.00 9.87 ? 22 TYR A N 1 ATOM 175 C CA . TYR A 1 24 ? -15.275 -5.001 16.312 1.00 10.12 ? 22 TYR A CA 1 ATOM 176 C C . TYR A 1 24 ? -16.281 -4.239 17.110 1.00 10.21 ? 22 TYR A C 1 ATOM 177 O O . TYR A 1 24 ? -16.964 -3.355 16.570 1.00 10.19 ? 22 TYR A O 1 ATOM 178 C CB . TYR A 1 24 ? -13.943 -4.204 16.314 1.00 10.09 ? 22 TYR A CB 1 ATOM 179 C CG . TYR A 1 24 ? -12.840 -4.880 15.515 1.00 10.06 ? 22 TYR A CG 1 ATOM 180 C CD1 . TYR A 1 24 ? -12.846 -4.844 14.122 1.00 12.34 ? 22 TYR A CD1 1 ATOM 181 C CD2 . TYR A 1 24 ? -11.818 -5.580 16.152 1.00 10.43 ? 22 TYR A CD2 1 ATOM 182 C CE1 . TYR A 1 24 ? -11.859 -5.491 13.376 1.00 9.36 ? 22 TYR A CE1 1 ATOM 183 C CE2 . TYR A 1 24 ? -10.817 -6.216 15.422 1.00 10.69 ? 22 TYR A CE2 1 ATOM 184 C CZ . TYR A 1 24 ? -10.851 -6.176 14.036 1.00 11.77 ? 22 TYR A CZ 1 ATOM 185 O OH . TYR A 1 24 ? -9.866 -6.792 13.296 1.00 11.78 ? 22 TYR A OH 1 ATOM 186 N N . SER A 1 25 ? -16.313 -4.543 18.407 1.00 9.97 ? 23 SER A N 1 ATOM 187 C CA . SER A 1 25 ? -17.156 -3.852 19.383 1.00 9.56 ? 23 SER A CA 1 ATOM 188 C C . SER A 1 25 ? -16.367 -3.721 20.710 1.00 10.05 ? 23 SER A C 1 ATOM 189 O O . SER A 1 25 ? -15.847 -4.709 21.254 1.00 9.84 ? 23 SER A O 1 ATOM 190 C CB . SER A 1 25 ? -18.497 -4.596 19.547 1.00 8.73 ? 23 SER A CB 1 ATOM 191 O OG . SER A 1 25 ? -19.312 -4.011 20.556 1.00 8.61 ? 23 SER A OG 1 ATOM 192 N N . GLY A 1 26 ? -16.202 -2.483 21.175 1.00 9.94 ? 24 GLY A N 1 ATOM 193 C CA . GLY A 1 26 ? -15.363 -2.212 22.349 1.00 9.63 ? 24 GLY A CA 1 ATOM 194 C C . GLY A 1 26 ? -15.493 -0.754 22.716 1.00 10.26 ? 24 GLY A C 1 ATOM 195 O O . GLY A 1 26 ? -16.494 -0.126 22.407 1.00 10.76 ? 24 GLY A O 1 ATOM 196 N N . TYR A 1 27 ? -14.473 -0.208 23.372 1.00 10.71 ? 25 TYR A N 1 ATOM 197 C CA . TYR A 1 27 ? -14.563 1.115 23.941 1.00 10.74 ? 25 TYR A CA 1 ATOM 198 C C . TYR A 1 27 ? -13.416 1.997 23.473 1.00 11.71 ? 25 TYR A C 1 ATOM 199 O O . TYR A 1 27 ? -12.245 1.565 23.403 1.00 11.38 ? 25 TYR A O 1 ATOM 200 C CB . TYR A 1 27 ? -14.652 1.048 25.485 1.00 10.85 ? 25 TYR A CB 1 ATOM 201 C CG . TYR A 1 27 ? -16.025 0.585 25.933 1.00 9.82 ? 25 TYR A CG 1 ATOM 202 C CD1 . TYR A 1 27 ? -16.328 -0.770 26.008 1.00 11.41 ? 25 TYR A CD1 1 ATOM 203 C CD2 . TYR A 1 27 ? -17.038 1.499 26.206 1.00 11.18 ? 25 TYR A CD2 1 ATOM 204 C CE1 . TYR A 1 27 ? -17.599 -1.200 26.368 1.00 12.05 ? 25 TYR A CE1 1 ATOM 205 C CE2 . TYR A 1 27 ? -18.317 1.074 26.592 1.00 11.41 ? 25 TYR A CE2 1 ATOM 206 C CZ . TYR A 1 27 ? -18.587 -0.267 26.654 1.00 10.75 ? 25 TYR A CZ 1 ATOM 207 O OH . TYR A 1 27 ? -19.842 -0.730 27.007 1.00 12.76 ? 25 TYR A OH 1 ATOM 208 N N . LEU A 1 28 ? -13.779 3.235 23.134 1.00 11.97 ? 26 LEU A N 1 ATOM 209 C CA . LEU A 1 28 ? -12.823 4.279 22.823 1.00 11.64 ? 26 LEU A CA 1 ATOM 210 C C . LEU A 1 28 ? -12.797 5.267 23.983 1.00 11.96 ? 26 LEU A C 1 ATOM 211 O O . LEU A 1 28 ? -13.851 5.674 24.515 1.00 11.40 ? 26 LEU A O 1 ATOM 212 C CB . LEU A 1 28 ? -13.182 5.004 21.513 1.00 11.63 ? 26 LEU A CB 1 ATOM 213 C CG . LEU A 1 28 ? -13.374 4.142 20.259 1.00 11.01 ? 26 LEU A CG 1 ATOM 214 C CD1 . LEU A 1 28 ? -13.722 5.036 19.054 1.00 9.05 ? 26 LEU A CD1 1 ATOM 215 C CD2 . LEU A 1 28 ? -12.127 3.307 19.960 1.00 8.69 ? 26 LEU A CD2 1 ATOM 216 N N . LYS A 1 29 ? -11.595 5.649 24.393 1.00 12.21 ? 27 LYS A N 1 ATOM 217 C CA . LYS A 1 29 ? -11.472 6.610 25.486 1.00 12.66 ? 27 LYS A CA 1 ATOM 218 C C . LYS A 1 29 ? -11.763 8.053 25.033 1.00 12.88 ? 27 LYS A C 1 ATOM 219 O O . LYS A 1 29 ? -11.091 8.574 24.132 1.00 13.13 ? 27 LYS A O 1 ATOM 220 C CB . LYS A 1 29 ? -10.094 6.490 26.146 1.00 12.95 ? 27 LYS A CB 1 ATOM 221 C CG . LYS A 1 29 ? -9.959 7.274 27.450 1.00 15.59 ? 27 LYS A CG 1 ATOM 222 C CD . LYS A 1 29 ? -10.734 6.574 28.582 1.00 17.18 ? 27 LYS A CD 1 ATOM 223 C CE . LYS A 1 29 ? -11.042 7.516 29.734 1.00 19.39 ? 27 LYS A CE 1 ATOM 224 N NZ . LYS A 1 29 ? -9.810 8.126 30.330 1.00 20.78 ? 27 LYS A NZ 1 ATOM 225 N N . GLY A 1 30 ? -12.770 8.677 25.656 1.00 12.62 ? 28 GLY A N 1 ATOM 226 C CA . GLY A 1 30 ? -13.107 10.093 25.446 1.00 13.10 ? 28 GLY A CA 1 ATOM 227 C C . GLY A 1 30 ? -12.395 10.921 26.498 1.00 13.22 ? 28 GLY A C 1 ATOM 228 O O . GLY A 1 30 ? -11.458 10.440 27.113 1.00 13.26 ? 28 GLY A O 1 ATOM 229 N N . SER A 1 31 ? -12.832 12.160 26.722 1.00 13.27 ? 29 SER A N 1 ATOM 230 C CA . SER A 1 31 ? -12.238 12.995 27.767 1.00 13.16 ? 29 SER A CA 1 ATOM 231 C C . SER A 1 31 ? -12.601 12.511 29.181 1.00 13.70 ? 29 SER A C 1 ATOM 232 O O . SER A 1 31 ? -13.561 11.761 29.360 1.00 12.06 ? 29 SER A O 1 ATOM 233 C CB . SER A 1 31 ? -12.683 14.457 27.586 1.00 13.51 ? 29 SER A CB 1 ATOM 234 O OG . SER A 1 31 ? -14.084 14.586 27.810 1.00 11.63 ? 29 SER A OG 1 ATOM 235 N N . GLY A 1 32 ? -11.845 12.965 30.182 1.00 13.58 ? 30 GLY A N 1 ATOM 236 C CA . GLY A 1 32 ? -12.089 12.571 31.578 1.00 13.72 ? 30 GLY A CA 1 ATOM 237 C C . GLY A 1 32 ? -12.192 11.070 31.772 1.00 13.24 ? 30 GLY A C 1 ATOM 238 O O . GLY A 1 32 ? -11.297 10.334 31.378 1.00 14.51 ? 30 GLY A O 1 ATOM 239 N N . SER A 1 33 ? -13.278 10.604 32.381 1.00 13.23 ? 31 SER A N 1 ATOM 240 C CA . SER A 1 33 ? -13.464 9.161 32.616 1.00 12.66 ? 31 SER A CA 1 ATOM 241 C C . SER A 1 33 ? -14.492 8.544 31.651 1.00 12.06 ? 31 SER A C 1 ATOM 242 O O . SER A 1 33 ? -15.121 7.518 31.953 1.00 11.92 ? 31 SER A O 1 ATOM 243 C CB . SER A 1 33 ? -13.836 8.884 34.080 1.00 13.19 ? 31 SER A CB 1 ATOM 244 O OG . SER A 1 33 ? -15.098 9.446 34.423 1.00 13.58 ? 31 SER A OG 1 ATOM 245 N N . LYS A 1 34 ? -14.646 9.172 30.484 1.00 11.45 ? 32 LYS A N 1 ATOM 246 C CA . LYS A 1 34 ? -15.635 8.718 29.482 1.00 10.79 ? 32 LYS A CA 1 ATOM 247 C C . LYS A 1 34 ? -15.109 7.558 28.635 1.00 10.04 ? 32 LYS A C 1 ATOM 248 O O . LYS A 1 34 ? -13.948 7.576 28.163 1.00 10.45 ? 32 LYS A O 1 ATOM 249 C CB . LYS A 1 34 ? -16.066 9.894 28.587 1.00 10.06 ? 32 LYS A CB 1 ATOM 250 C CG . LYS A 1 34 ? -16.616 11.073 29.407 1.00 10.67 ? 32 LYS A CG 1 ATOM 251 C CD . LYS A 1 34 ? -16.874 12.330 28.541 1.00 12.17 ? 32 LYS A CD 1 ATOM 252 C CE . LYS A 1 34 ? -17.145 13.544 29.429 1.00 11.84 ? 32 LYS A CE 1 ATOM 253 N NZ . LYS A 1 34 ? -15.861 13.931 30.075 1.00 14.09 ? 32 LYS A NZ 1 ATOM 254 N N . HIS A 1 35 ? -15.963 6.554 28.446 1.00 9.76 ? 33 HIS A N 1 ATOM 255 C CA . HIS A 1 35 ? -15.646 5.396 27.597 1.00 9.34 ? 33 HIS A CA 1 ATOM 256 C C . HIS A 1 35 ? -16.785 5.239 26.597 1.00 9.49 ? 33 HIS A C 1 ATOM 257 O O . HIS A 1 35 ? -17.908 4.909 26.973 1.00 8.91 ? 33 HIS A O 1 ATOM 258 C CB . HIS A 1 35 ? -15.534 4.125 28.432 1.00 9.04 ? 33 HIS A CB 1 ATOM 259 C CG . HIS A 1 35 ? -14.540 4.234 29.539 1.00 11.00 ? 33 HIS A CG 1 ATOM 260 N ND1 . HIS A 1 35 ? -13.206 3.942 29.369 1.00 11.48 ? 33 HIS A ND1 1 ATOM 261 C CD2 . HIS A 1 35 ? -14.687 4.611 30.830 1.00 12.22 ? 33 HIS A CD2 1 ATOM 262 C CE1 . HIS A 1 35 ? -12.570 4.144 30.508 1.00 13.90 ? 33 HIS A CE1 1 ATOM 263 N NE2 . HIS A 1 35 ? -13.446 4.564 31.404 1.00 14.95 ? 33 HIS A NE2 1 ATOM 264 N N . LEU A 1 36 ? -16.489 5.489 25.331 1.00 9.18 ? 34 LEU A N 1 ATOM 265 C CA . LEU A 1 36 ? -17.538 5.491 24.317 1.00 9.78 ? 34 LEU A CA 1 ATOM 266 C C . LEU A 1 36 ? -17.537 4.154 23.598 1.00 9.30 ? 34 LEU A C 1 ATOM 267 O O . LEU A 1 36 ? -16.509 3.727 23.058 1.00 10.01 ? 34 LEU A O 1 ATOM 268 C CB . LEU A 1 36 ? -17.342 6.670 23.359 1.00 10.00 ? 34 LEU A CB 1 ATOM 269 C CG . LEU A 1 36 ? -17.219 8.055 24.014 1.00 10.54 ? 34 LEU A CG 1 ATOM 270 C CD1 . LEU A 1 36 ? -17.058 9.172 22.966 1.00 11.14 ? 34 LEU A CD1 1 ATOM 271 C CD2 . LEU A 1 36 ? -18.431 8.320 24.929 1.00 10.66 ? 34 LEU A CD2 1 ATOM 272 N N . HIS A 1 37 ? -18.681 3.476 23.627 1.00 8.87 ? 35 HIS A N 1 ATOM 273 C CA . HIS A 1 37 ? -18.814 2.212 22.932 1.00 8.42 ? 35 HIS A CA 1 ATOM 274 C C . HIS A 1 37 ? -18.877 2.389 21.409 1.00 8.59 ? 35 HIS A C 1 ATOM 275 O O . HIS A 1 37 ? -19.702 3.149 20.900 1.00 9.11 ? 35 HIS A O 1 ATOM 276 C CB . HIS A 1 37 ? -20.038 1.419 23.416 1.00 8.38 ? 35 HIS A CB 1 ATOM 277 C CG . HIS A 1 37 ? -20.378 0.258 22.535 1.00 8.02 ? 35 HIS A CG 1 ATOM 278 N ND1 . HIS A 1 37 ? -21.570 0.168 21.845 1.00 6.71 ? 35 HIS A ND1 1 ATOM 279 C CD2 . HIS A 1 37 ? -19.658 -0.837 22.189 1.00 6.96 ? 35 HIS A CD2 1 ATOM 280 C CE1 . HIS A 1 37 ? -21.568 -0.933 21.110 1.00 6.78 ? 35 HIS A CE1 1 ATOM 281 N NE2 . HIS A 1 37 ? -20.426 -1.565 21.314 1.00 8.06 ? 35 HIS A NE2 1 ATOM 282 N N . TYR A 1 38 ? -18.000 1.679 20.700 1.00 8.32 ? 36 TYR A N 1 ATOM 283 C CA . TYR A 1 38 ? -17.983 1.704 19.241 1.00 8.73 ? 36 TYR A CA 1 ATOM 284 C C . TYR A 1 38 ? -18.335 0.322 18.663 1.00 9.06 ? 36 TYR A C 1 ATOM 285 O O . TYR A 1 38 ? -18.091 -0.743 19.279 1.00 8.43 ? 36 TYR A O 1 ATOM 286 C CB . TYR A 1 38 ? -16.618 2.185 18.713 1.00 8.64 ? 36 TYR A CB 1 ATOM 287 C CG . TYR A 1 38 ? -15.534 1.115 18.728 1.00 8.61 ? 36 TYR A CG 1 ATOM 288 C CD1 . TYR A 1 38 ? -14.772 0.887 19.869 1.00 7.36 ? 36 TYR A CD1 1 ATOM 289 C CD2 . TYR A 1 38 ? -15.304 0.298 17.610 1.00 7.94 ? 36 TYR A CD2 1 ATOM 290 C CE1 . TYR A 1 38 ? -13.771 -0.102 19.891 1.00 9.93 ? 36 TYR A CE1 1 ATOM 291 C CE2 . TYR A 1 38 ? -14.329 -0.701 17.634 1.00 8.09 ? 36 TYR A CE2 1 ATOM 292 C CZ . TYR A 1 38 ? -13.570 -0.889 18.760 1.00 8.58 ? 36 TYR A CZ 1 ATOM 293 O OH . TYR A 1 38 ? -12.609 -1.879 18.756 1.00 11.27 ? 36 TYR A OH 1 ATOM 294 N N . TRP A 1 39 ? -18.902 0.349 17.469 1.00 8.56 ? 37 TRP A N 1 ATOM 295 C CA . TRP A 1 39 ? -19.057 -0.852 16.675 1.00 9.21 ? 37 TRP A CA 1 ATOM 296 C C . TRP A 1 39 ? -18.521 -0.497 15.275 1.00 8.77 ? 37 TRP A C 1 ATOM 297 O O . TRP A 1 39 ? -19.046 0.384 14.570 1.00 8.36 ? 37 TRP A O 1 ATOM 298 C CB . TRP A 1 39 ? -20.516 -1.284 16.674 1.00 9.18 ? 37 TRP A CB 1 ATOM 299 C CG . TRP A 1 39 ? -20.866 -2.624 16.026 1.00 9.78 ? 37 TRP A CG 1 ATOM 300 C CD1 . TRP A 1 39 ? -20.141 -3.330 15.090 1.00 9.14 ? 37 TRP A CD1 1 ATOM 301 C CD2 . TRP A 1 39 ? -22.077 -3.368 16.243 1.00 9.82 ? 37 TRP A CD2 1 ATOM 302 N NE1 . TRP A 1 39 ? -20.829 -4.488 14.728 1.00 8.03 ? 37 TRP A NE1 1 ATOM 303 C CE2 . TRP A 1 39 ? -22.028 -4.513 15.403 1.00 8.93 ? 37 TRP A CE2 1 ATOM 304 C CE3 . TRP A 1 39 ? -23.224 -3.158 17.049 1.00 8.13 ? 37 TRP A CE3 1 ATOM 305 C CZ2 . TRP A 1 39 ? -23.051 -5.465 15.379 1.00 8.32 ? 37 TRP A CZ2 1 ATOM 306 C CZ3 . TRP A 1 39 ? -24.249 -4.090 16.999 1.00 8.83 ? 37 TRP A CZ3 1 ATOM 307 C CH2 . TRP A 1 39 ? -24.155 -5.239 16.183 1.00 8.55 ? 37 TRP A CH2 1 ATOM 308 N N . PHE A 1 40 ? -17.444 -1.172 14.907 1.00 8.66 ? 38 PHE A N 1 ATOM 309 C CA . PHE A 1 40 ? -16.687 -0.854 13.708 1.00 9.44 ? 38 PHE A CA 1 ATOM 310 C C . PHE A 1 40 ? -16.864 -2.016 12.741 1.00 9.16 ? 38 PHE A C 1 ATOM 311 O O . PHE A 1 40 ? -16.621 -3.172 13.100 1.00 10.39 ? 38 PHE A O 1 ATOM 312 C CB . PHE A 1 40 ? -15.225 -0.678 14.095 1.00 9.88 ? 38 PHE A CB 1 ATOM 313 C CG . PHE A 1 40 ? -14.291 -0.428 12.933 1.00 10.80 ? 38 PHE A CG 1 ATOM 314 C CD1 . PHE A 1 40 ? -14.500 0.631 12.059 1.00 9.64 ? 38 PHE A CD1 1 ATOM 315 C CD2 . PHE A 1 40 ? -13.149 -1.225 12.771 1.00 10.85 ? 38 PHE A CD2 1 ATOM 316 C CE1 . PHE A 1 40 ? -13.591 0.892 10.995 1.00 8.79 ? 38 PHE A CE1 1 ATOM 317 C CE2 . PHE A 1 40 ? -12.240 -0.977 11.714 1.00 9.65 ? 38 PHE A CE2 1 ATOM 318 C CZ . PHE A 1 40 ? -12.455 0.086 10.845 1.00 9.09 ? 38 PHE A CZ 1 ATOM 319 N N . VAL A 1 41 ? -17.348 -1.719 11.546 1.00 8.86 ? 39 VAL A N 1 ATOM 320 C CA . VAL A 1 41 ? -17.590 -2.766 10.554 1.00 9.19 ? 39 VAL A CA 1 ATOM 321 C C . VAL A 1 41 ? -16.716 -2.546 9.309 1.00 8.61 ? 39 VAL A C 1 ATOM 322 O O . VAL A 1 41 ? -16.910 -1.578 8.564 1.00 8.72 ? 39 VAL A O 1 ATOM 323 C CB . VAL A 1 41 ? -19.104 -2.957 10.206 1.00 9.32 ? 39 VAL A CB 1 ATOM 324 C CG1 . VAL A 1 41 ? -19.867 -3.488 11.413 1.00 8.48 ? 39 VAL A CG1 1 ATOM 325 C CG2 . VAL A 1 41 ? -19.748 -1.667 9.634 1.00 9.38 ? 39 VAL A CG2 1 ATOM 326 N N . GLU A 1 42 ? -15.755 -3.442 9.084 1.00 8.70 ? 40 GLU A N 1 ATOM 327 C CA . GLU A 1 42 ? -14.807 -3.255 7.954 1.00 8.97 ? 40 GLU A CA 1 ATOM 328 C C . GLU A 1 42 ? -15.475 -3.405 6.586 1.00 9.60 ? 40 GLU A C 1 ATOM 329 O O . GLU A 1 42 ? -16.489 -4.083 6.471 1.00 9.44 ? 40 GLU A O 1 ATOM 330 C CB . GLU A 1 42 ? -13.599 -4.200 8.056 1.00 9.16 ? 40 GLU A CB 1 ATOM 331 C CG . GLU A 1 42 ? -12.708 -3.844 9.248 1.00 9.00 ? 40 GLU A CG 1 ATOM 332 C CD . GLU A 1 42 ? -11.417 -4.611 9.328 1.00 10.07 ? 40 GLU A CD 1 ATOM 333 O OE1 . GLU A 1 42 ? -11.166 -5.515 8.508 1.00 12.46 ? 40 GLU A OE1 1 ATOM 334 O OE2 . GLU A 1 42 ? -10.628 -4.278 10.227 1.00 12.94 ? 40 GLU A OE2 1 ATOM 335 N N . SER A 1 43 ? -14.898 -2.748 5.570 1.00 10.13 ? 41 SER A N 1 ATOM 336 C CA . SER A 1 43 ? -15.430 -2.794 4.190 1.00 11.05 ? 41 SER A CA 1 ATOM 337 C C . SER A 1 43 ? -15.514 -4.231 3.701 1.00 11.95 ? 41 SER A C 1 ATOM 338 O O . SER A 1 43 ? -14.587 -5.038 3.913 1.00 12.04 ? 41 SER A O 1 ATOM 339 C CB . SER A 1 43 ? -14.591 -1.916 3.229 1.00 11.76 ? 41 SER A CB 1 ATOM 340 O OG . SER A 1 43 ? -15.119 -1.898 1.892 1.00 12.07 ? 41 SER A OG 1 ATOM 341 N N . GLN A 1 44 ? -16.642 -4.545 3.063 1.00 12.73 ? 42 GLN A N 1 ATOM 342 C CA . GLN A 1 44 ? -16.852 -5.823 2.406 1.00 13.55 ? 42 GLN A CA 1 ATOM 343 C C . GLN A 1 44 ? -15.937 -6.018 1.198 1.00 14.73 ? 42 GLN A C 1 ATOM 344 O O . GLN A 1 44 ? -15.767 -7.142 0.701 1.00 14.42 ? 42 GLN A O 1 ATOM 345 C CB . GLN A 1 44 ? -18.317 -5.967 2.011 1.00 13.73 ? 42 GLN A CB 1 ATOM 346 C CG . GLN A 1 44 ? -19.254 -5.982 3.232 1.00 13.10 ? 42 GLN A CG 1 ATOM 347 C CD . GLN A 1 44 ? -20.656 -6.456 2.912 1.00 15.44 ? 42 GLN A CD 1 ATOM 348 O OE1 . GLN A 1 44 ? -20.847 -7.393 2.137 1.00 16.42 ? 42 GLN A OE1 1 ATOM 349 N NE2 . GLN A 1 44 ? -21.658 -5.801 3.506 1.00 14.62 ? 42 GLN A NE2 1 ATOM 350 N N . LYS A 1 45 ? -15.344 -4.925 0.742 1.00 14.97 ? 43 LYS A N 1 ATOM 351 C CA . LYS A 1 45 ? -14.448 -4.960 -0.394 1.00 17.53 ? 43 LYS A CA 1 ATOM 352 C C . LYS A 1 45 ? -13.249 -4.082 -0.084 1.00 17.00 ? 43 LYS A C 1 ATOM 353 O O . LYS A 1 45 ? -13.387 -2.868 0.124 1.00 17.11 ? 43 LYS A O 1 ATOM 354 C CB . LYS A 1 45 ? -15.156 -4.498 -1.680 1.00 17.34 ? 43 LYS A CB 1 ATOM 355 C CG . LYS A 1 45 ? -14.241 -4.487 -2.914 1.00 20.82 ? 43 LYS A CG 1 ATOM 356 C CD . LYS A 1 45 ? -15.022 -4.316 -4.214 1.00 20.81 ? 43 LYS A CD 1 ATOM 357 C CE . LYS A 1 45 ? -15.541 -5.664 -4.724 1.00 27.56 ? 43 LYS A CE 1 ATOM 358 N NZ . LYS A 1 45 ? -15.823 -5.661 -6.203 1.00 29.33 ? 43 LYS A NZ 1 ATOM 359 N N . ASP A 1 46 ? -12.082 -4.725 -0.056 1.00 17.18 ? 44 ASP A N 1 ATOM 360 C CA . ASP A 1 46 ? -10.791 -4.071 0.192 1.00 17.94 ? 44 ASP A CA 1 ATOM 361 C C . ASP A 1 46 ? -10.765 -3.218 1.481 1.00 18.05 ? 44 ASP A C 1 ATOM 362 O O . ASP A 1 46 ? -10.586 -1.995 1.426 1.00 17.74 ? 44 ASP A O 1 ATOM 363 C CB . ASP A 1 46 ? -10.358 -3.278 -1.055 1.00 18.06 ? 44 ASP A CB 1 ATOM 364 C CG . ASP A 1 46 ? -8.981 -2.659 -0.918 1.00 21.68 ? 44 ASP A CG 1 ATOM 365 O OD1 . ASP A 1 46 ? -8.188 -3.086 -0.042 1.00 22.37 ? 44 ASP A OD1 1 ATOM 366 O OD2 . ASP A 1 46 ? -8.709 -1.711 -1.694 1.00 25.70 ? 44 ASP A OD2 1 ATOM 367 N N . PRO A 1 47 ? -10.909 -3.871 2.653 1.00 18.26 ? 45 PRO A N 1 ATOM 368 C CA . PRO A 1 47 ? -10.947 -3.104 3.911 1.00 19.20 ? 45 PRO A CA 1 ATOM 369 C C . PRO A 1 47 ? -9.660 -2.303 4.123 1.00 19.87 ? 45 PRO A C 1 ATOM 370 O O . PRO A 1 47 ? -9.691 -1.169 4.615 1.00 20.00 ? 45 PRO A O 1 ATOM 371 C CB . PRO A 1 47 ? -11.129 -4.180 4.991 1.00 18.62 ? 45 PRO A CB 1 ATOM 372 C CG . PRO A 1 47 ? -10.848 -5.485 4.340 1.00 19.50 ? 45 PRO A CG 1 ATOM 373 C CD . PRO A 1 47 ? -11.027 -5.322 2.866 1.00 18.08 ? 45 PRO A CD 1 ATOM 374 N N . GLU A 1 48 ? -8.546 -2.869 3.670 1.00 20.32 ? 46 GLU A N 1 ATOM 375 C CA . GLU A 1 48 ? -7.231 -2.300 3.908 1.00 21.54 ? 46 GLU A CA 1 ATOM 376 C C . GLU A 1 48 ? -7.119 -0.892 3.363 1.00 21.52 ? 46 GLU A C 1 ATOM 377 O O . GLU A 1 48 ? -6.525 -0.012 4.012 1.00 22.35 ? 46 GLU A O 1 ATOM 378 C CB . GLU A 1 48 ? -6.156 -3.210 3.297 1.00 21.74 ? 46 GLU A CB 1 ATOM 379 C CG . GLU A 1 48 ? -6.253 -4.672 3.780 1.00 25.03 ? 46 GLU A CG 1 ATOM 380 C CD . GLU A 1 48 ? -7.316 -5.536 3.048 1.00 28.94 ? 46 GLU A CD 1 ATOM 381 O OE1 . GLU A 1 48 ? -7.832 -5.154 1.965 1.00 26.84 ? 46 GLU A OE1 1 ATOM 382 O OE2 . GLU A 1 48 ? -7.621 -6.634 3.568 1.00 33.55 ? 46 GLU A OE2 1 ATOM 383 N N . ASN A 1 49 ? -7.718 -0.667 2.197 1.00 20.24 ? 47 ASN A N 1 ATOM 384 C CA . ASN A 1 49 ? -7.595 0.609 1.505 1.00 20.37 ? 47 ASN A CA 1 ATOM 385 C C . ASN A 1 49 ? -8.878 1.419 1.354 1.00 18.82 ? 47 ASN A C 1 ATOM 386 O O . ASN A 1 49 ? -8.838 2.510 0.814 1.00 19.36 ? 47 ASN A O 1 ATOM 387 C CB . ASN A 1 49 ? -6.920 0.416 0.148 1.00 20.84 ? 47 ASN A CB 1 ATOM 388 C CG . ASN A 1 49 ? -5.579 -0.290 0.276 1.00 23.82 ? 47 ASN A CG 1 ATOM 389 O OD1 . ASN A 1 49 ? -4.696 0.154 1.028 1.00 27.52 ? 47 ASN A OD1 1 ATOM 390 N ND2 . ASN A 1 49 ? -5.429 -1.409 -0.427 1.00 25.31 ? 47 ASN A ND2 1 ATOM 391 N N . SER A 1 50 ? -10.001 0.896 1.841 1.00 16.77 ? 48 SER A N 1 ATOM 392 C CA . SER A 1 50 ? -11.270 1.649 1.826 1.00 15.57 ? 48 SER A CA 1 ATOM 393 C C . SER A 1 50 ? -11.278 2.766 2.858 1.00 13.92 ? 48 SER A C 1 ATOM 394 O O . SER A 1 50 ? -10.607 2.656 3.892 1.00 13.96 ? 48 SER A O 1 ATOM 395 C CB . SER A 1 50 ? -12.452 0.706 2.065 1.00 15.41 ? 48 SER A CB 1 ATOM 396 O OG . SER A 1 50 ? -12.581 -0.192 0.985 1.00 15.81 ? 48 SER A OG 1 ATOM 397 N N . PRO A 1 51 ? -12.055 3.840 2.609 1.00 12.87 ? 49 PRO A N 1 ATOM 398 C CA . PRO A 1 51 ? -12.063 4.905 3.609 1.00 12.10 ? 49 PRO A CA 1 ATOM 399 C C . PRO A 1 51 ? -12.600 4.449 4.962 1.00 11.10 ? 49 PRO A C 1 ATOM 400 O O . PRO A 1 51 ? -13.343 3.453 5.037 1.00 10.34 ? 49 PRO A O 1 ATOM 401 C CB . PRO A 1 51 ? -12.996 5.962 2.997 1.00 12.52 ? 49 PRO A CB 1 ATOM 402 C CG . PRO A 1 51 ? -12.990 5.644 1.501 1.00 13.26 ? 49 PRO A CG 1 ATOM 403 C CD . PRO A 1 51 ? -12.924 4.157 1.459 1.00 12.58 ? 49 PRO A CD 1 ATOM 404 N N . VAL A 1 52 ? -12.212 5.191 5.995 1.00 9.90 ? 50 VAL A N 1 ATOM 405 C CA . VAL A 1 52 ? -12.790 5.060 7.338 1.00 9.28 ? 50 VAL A CA 1 ATOM 406 C C . VAL A 1 52 ? -13.870 6.143 7.449 1.00 8.93 ? 50 VAL A C 1 ATOM 407 O O . VAL A 1 52 ? -13.612 7.292 7.147 1.00 9.48 ? 50 VAL A O 1 ATOM 408 C CB . VAL A 1 52 ? -11.724 5.274 8.416 1.00 8.94 ? 50 VAL A CB 1 ATOM 409 C CG1 . VAL A 1 52 ? -12.346 5.325 9.836 1.00 8.10 ? 50 VAL A CG1 1 ATOM 410 C CG2 . VAL A 1 52 ? -10.638 4.190 8.305 1.00 9.69 ? 50 VAL A CG2 1 ATOM 411 N N . VAL A 1 53 ? -15.066 5.757 7.899 1.00 8.76 ? 51 VAL A N 1 ATOM 412 C CA . VAL A 1 53 ? -16.213 6.641 7.907 1.00 8.44 ? 51 VAL A CA 1 ATOM 413 C C . VAL A 1 53 ? -16.829 6.596 9.296 1.00 8.34 ? 51 VAL A C 1 ATOM 414 O O . VAL A 1 53 ? -17.346 5.567 9.708 1.00 7.79 ? 51 VAL A O 1 ATOM 415 C CB . VAL A 1 53 ? -17.287 6.227 6.836 1.00 8.65 ? 51 VAL A CB 1 ATOM 416 C CG1 . VAL A 1 53 ? -18.526 7.113 6.969 1.00 10.05 ? 51 VAL A CG1 1 ATOM 417 C CG2 . VAL A 1 53 ? -16.727 6.366 5.401 1.00 7.71 ? 51 VAL A CG2 1 ATOM 418 N N . LEU A 1 54 ? -16.748 7.704 10.022 1.00 7.83 ? 52 LEU A N 1 ATOM 419 C CA . LEU A 1 54 ? -17.433 7.790 11.309 1.00 7.72 ? 52 LEU A CA 1 ATOM 420 C C . LEU A 1 54 ? -18.878 8.110 11.057 1.00 7.42 ? 52 LEU A C 1 ATOM 421 O O . LEU A 1 54 ? -19.179 9.010 10.274 1.00 8.09 ? 52 LEU A O 1 ATOM 422 C CB . LEU A 1 54 ? -16.838 8.880 12.191 1.00 7.61 ? 52 LEU A CB 1 ATOM 423 C CG . LEU A 1 54 ? -17.597 9.181 13.487 1.00 7.18 ? 52 LEU A CG 1 ATOM 424 C CD1 . LEU A 1 54 ? -17.349 8.061 14.563 1.00 6.79 ? 52 LEU A CD1 1 ATOM 425 C CD2 . LEU A 1 54 ? -17.122 10.553 13.994 1.00 8.90 ? 52 LEU A CD2 1 ATOM 426 N N . TRP A 1 55 ? -19.758 7.372 11.726 1.00 7.54 ? 53 TRP A N 1 ATOM 427 C CA . TRP A 1 55 ? -21.196 7.674 11.753 1.00 7.43 ? 53 TRP A CA 1 ATOM 428 C C . TRP A 1 55 ? -21.692 8.002 13.157 1.00 7.52 ? 53 TRP A C 1 ATOM 429 O O . TRP A 1 55 ? -21.508 7.198 14.084 1.00 7.60 ? 53 TRP A O 1 ATOM 430 C CB . TRP A 1 55 ? -22.020 6.505 11.208 1.00 7.32 ? 53 TRP A CB 1 ATOM 431 C CG . TRP A 1 55 ? -23.491 6.795 11.276 1.00 9.40 ? 53 TRP A CG 1 ATOM 432 C CD1 . TRP A 1 55 ? -24.371 6.392 12.255 1.00 8.03 ? 53 TRP A CD1 1 ATOM 433 C CD2 . TRP A 1 55 ? -24.239 7.623 10.373 1.00 6.99 ? 53 TRP A CD2 1 ATOM 434 N NE1 . TRP A 1 55 ? -25.626 6.903 12.000 1.00 8.79 ? 53 TRP A NE1 1 ATOM 435 C CE2 . TRP A 1 55 ? -25.587 7.636 10.840 1.00 10.31 ? 53 TRP A CE2 1 ATOM 436 C CE3 . TRP A 1 55 ? -23.917 8.320 9.195 1.00 9.70 ? 53 TRP A CE3 1 ATOM 437 C CZ2 . TRP A 1 55 ? -26.612 8.346 10.180 1.00 8.22 ? 53 TRP A CZ2 1 ATOM 438 C CZ3 . TRP A 1 55 ? -24.941 9.015 8.513 1.00 8.58 ? 53 TRP A CZ3 1 ATOM 439 C CH2 . TRP A 1 55 ? -26.278 9.019 9.017 1.00 7.92 ? 53 TRP A CH2 1 ATOM 440 N N . LEU A 1 56 ? -22.358 9.156 13.279 1.00 7.16 ? 54 LEU A N 1 ATOM 441 C CA . LEU A 1 56 ? -23.026 9.591 14.508 1.00 7.73 ? 54 LEU A CA 1 ATOM 442 C C . LEU A 1 56 ? -24.504 9.875 14.298 1.00 7.71 ? 54 LEU A C 1 ATOM 443 O O . LEU A 1 56 ? -24.872 10.670 13.432 1.00 6.85 ? 54 LEU A O 1 ATOM 444 C CB . LEU A 1 56 ? -22.377 10.880 15.033 1.00 7.67 ? 54 LEU A CB 1 ATOM 445 C CG . LEU A 1 56 ? -20.894 10.865 15.416 1.00 9.07 ? 54 LEU A CG 1 ATOM 446 C CD1 . LEU A 1 56 ? -20.448 12.271 15.901 1.00 8.59 ? 54 LEU A CD1 1 ATOM 447 C CD2 . LEU A 1 56 ? -20.590 9.829 16.481 1.00 6.07 ? 54 LEU A CD2 1 ATOM 448 N N . ASN A 1 57 ? -25.353 9.244 15.107 1.00 7.70 ? 55 ASN A N 1 ATOM 449 C CA . ASN A 1 57 ? -26.734 9.690 15.238 1.00 8.02 ? 55 ASN A CA 1 ATOM 450 C C . ASN A 1 57 ? -26.817 10.861 16.228 1.00 8.27 ? 55 ASN A C 1 ATOM 451 O O . ASN A 1 57 ? -25.810 11.239 16.847 1.00 7.78 ? 55 ASN A O 1 ATOM 452 C CB . ASN A 1 57 ? -27.651 8.532 15.649 1.00 7.40 ? 55 ASN A CB 1 ATOM 453 C CG . ASN A 1 57 ? -28.046 7.658 14.485 1.00 9.77 ? 55 ASN A CG 1 ATOM 454 O OD1 . ASN A 1 57 ? -27.448 6.606 14.277 1.00 8.65 ? 55 ASN A OD1 1 ATOM 455 N ND2 . ASN A 1 57 ? -29.062 8.090 13.702 1.00 8.09 ? 55 ASN A ND2 1 ATOM 456 N N . GLY A 1 58 ? -28.004 11.450 16.376 1.00 8.23 ? 56 GLY A N 1 ATOM 457 C CA . GLY A 1 58 ? -28.113 12.717 17.105 1.00 9.62 ? 56 GLY A CA 1 ATOM 458 C C . GLY A 1 58 ? -28.806 12.598 18.452 1.00 10.22 ? 56 GLY A C 1 ATOM 459 O O . GLY A 1 58 ? -28.304 11.925 19.352 1.00 10.87 ? 56 GLY A O 1 ATOM 460 N N . GLY A 1 59 ? -29.954 13.257 18.584 1.00 9.47 ? 57 GLY A N 1 ATOM 461 C CA . GLY A 1 59 ? -30.707 13.287 19.848 1.00 10.40 ? 57 GLY A CA 1 ATOM 462 C C . GLY A 1 59 ? -30.905 14.735 20.256 1.00 11.12 ? 57 GLY A C 1 ATOM 463 O O . GLY A 1 59 ? -31.860 15.384 19.794 1.00 12.73 ? 57 GLY A O 1 ATOM 464 N N . PRO A 1 60 ? -29.977 15.292 21.058 1.00 11.29 ? 58 PRO A N 1 ATOM 465 C CA . PRO A 1 60 ? -28.773 14.693 21.637 1.00 11.39 ? 58 PRO A CA 1 ATOM 466 C C . PRO A 1 60 ? -29.125 13.607 22.640 1.00 11.31 ? 58 PRO A C 1 ATOM 467 O O . PRO A 1 60 ? -30.148 13.711 23.315 1.00 11.39 ? 58 PRO A O 1 ATOM 468 C CB . PRO A 1 60 ? -28.102 15.879 22.358 1.00 11.82 ? 58 PRO A CB 1 ATOM 469 C CG . PRO A 1 60 ? -29.151 16.854 22.568 1.00 12.26 ? 58 PRO A CG 1 ATOM 470 C CD . PRO A 1 60 ? -30.079 16.718 21.405 1.00 11.68 ? 58 PRO A CD 1 ATOM 471 N N . GLY A 1 61 ? -28.291 12.574 22.724 1.00 10.44 ? 59 GLY A N 1 ATOM 472 C CA . GLY A 1 61 ? -28.531 11.494 23.662 1.00 11.22 ? 59 GLY A CA 1 ATOM 473 C C . GLY A 1 61 ? -28.970 10.177 23.048 1.00 11.25 ? 59 GLY A C 1 ATOM 474 O O . GLY A 1 61 ? -29.268 9.232 23.769 1.00 11.62 ? 59 GLY A O 1 ATOM 475 N N . CYS A 1 62 ? -29.042 10.130 21.722 1.00 10.73 ? 60 CYS A N 1 ATOM 476 C CA . CYS A 1 62 ? -29.456 8.916 21.015 1.00 10.95 ? 60 CYS A CA 1 ATOM 477 C C . CYS A 1 62 ? -28.296 8.162 20.372 1.00 10.06 ? 60 CYS A C 1 ATOM 478 O O . CYS A 1 62 ? -27.260 8.741 20.069 1.00 9.62 ? 60 CYS A O 1 ATOM 479 C CB . CYS A 1 62 ? -30.556 9.206 19.990 1.00 11.32 ? 60 CYS A CB 1 ATOM 480 S SG . CYS A 1 62 ? -32.039 10.019 20.713 1.00 15.53 ? 60 CYS A SG 1 ATOM 481 N N . SER A 1 63 ? -28.518 6.866 20.162 1.00 9.87 ? 61 SER A N 1 ATOM 482 C CA . SER A 1 63 ? -27.475 5.894 19.815 1.00 8.99 ? 61 SER A CA 1 ATOM 483 C C . SER A 1 63 ? -27.222 5.717 18.313 1.00 8.70 ? 61 SER A C 1 ATOM 484 O O . SER A 1 63 ? -28.157 5.502 17.537 1.00 10.01 ? 61 SER A O 1 ATOM 485 C CB . SER A 1 63 ? -27.876 4.529 20.381 1.00 8.24 ? 61 SER A CB 1 ATOM 486 O OG . SER A 1 63 ? -27.024 3.519 19.834 1.00 7.85 ? 61 SER A OG 1 ATOM 487 N N . SER A 1 64 ? -25.952 5.746 17.933 1.00 8.91 ? 62 SER A N 1 ATOM 488 C CA . SER A 1 64 ? -25.506 5.496 16.568 1.00 8.81 ? 62 SER A CA 1 ATOM 489 C C . SER A 1 64 ? -25.711 4.052 16.131 1.00 8.74 ? 62 SER A C 1 ATOM 490 O O . SER A 1 64 ? -25.552 3.729 14.950 1.00 8.37 ? 62 SER A O 1 ATOM 491 C CB . SER A 1 64 ? -24.025 5.865 16.430 1.00 9.56 ? 62 SER A CB 1 ATOM 492 O OG . SER A 1 64 ? -23.811 7.232 16.719 1.00 8.37 ? 62 SER A OG 1 ATOM 493 N N . LEU A 1 65 ? -26.079 3.181 17.067 1.00 8.09 ? 63 LEU A N 1 ATOM 494 C CA . LEU A 1 65 ? -26.494 1.822 16.678 1.00 9.02 ? 63 LEU A CA 1 ATOM 495 C C . LEU A 1 65 ? -27.870 1.798 15.990 1.00 9.05 ? 63 LEU A C 1 ATOM 496 O O . LEU A 1 65 ? -28.226 0.820 15.310 1.00 9.51 ? 63 LEU A O 1 ATOM 497 C CB . LEU A 1 65 ? -26.435 0.857 17.862 1.00 9.29 ? 63 LEU A CB 1 ATOM 498 C CG . LEU A 1 65 ? -25.077 0.729 18.563 1.00 9.44 ? 63 LEU A CG 1 ATOM 499 C CD1 . LEU A 1 65 ? -25.145 -0.344 19.658 1.00 6.94 ? 63 LEU A CD1 1 ATOM 500 C CD2 . LEU A 1 65 ? -23.964 0.386 17.532 1.00 10.65 ? 63 LEU A CD2 1 ATOM 501 N N . ASP A 1 66 ? -28.659 2.858 16.174 1.00 9.41 ? 64 ASP A N 1 ATOM 502 C CA . ASP A 1 66 ? -29.784 3.115 15.264 1.00 9.83 ? 64 ASP A CA 1 ATOM 503 C C . ASP A 1 66 ? -29.320 3.123 13.799 1.00 9.78 ? 64 ASP A C 1 ATOM 504 O O . ASP A 1 66 ? -29.921 2.463 12.932 1.00 10.15 ? 64 ASP A O 1 ATOM 505 C CB . ASP A 1 66 ? -30.447 4.466 15.548 1.00 10.08 ? 64 ASP A CB 1 ATOM 506 C CG . ASP A 1 66 ? -31.655 4.678 14.685 1.00 13.95 ? 64 ASP A CG 1 ATOM 507 O OD1 . ASP A 1 66 ? -32.628 3.911 14.833 1.00 15.01 ? 64 ASP A OD1 1 ATOM 508 O OD2 . ASP A 1 66 ? -31.594 5.557 13.806 1.00 17.89 ? 64 ASP A OD2 1 ATOM 509 N N . GLY A 1 67 ? -28.272 3.898 13.524 1.00 8.82 ? 65 GLY A N 1 ATOM 510 C CA . GLY A 1 67 ? -27.651 3.922 12.211 1.00 9.46 ? 65 GLY A CA 1 ATOM 511 C C . GLY A 1 67 ? -27.292 2.524 11.739 1.00 9.15 ? 65 GLY A C 1 ATOM 512 O O . GLY A 1 67 ? -27.568 2.175 10.592 1.00 9.28 ? 65 GLY A O 1 ATOM 513 N N . LEU A 1 68 ? -26.693 1.710 12.612 1.00 8.05 ? 66 LEU A N 1 ATOM 514 C CA . LEU A 1 68 ? -26.238 0.381 12.164 1.00 8.13 ? 66 LEU A CA 1 ATOM 515 C C . LEU A 1 68 ? -27.429 -0.544 11.917 1.00 8.35 ? 66 LEU A C 1 ATOM 516 O O . LEU A 1 68 ? -27.615 -1.069 10.806 1.00 7.97 ? 66 LEU A O 1 ATOM 517 C CB . LEU A 1 68 ? -25.260 -0.250 13.179 1.00 8.42 ? 66 LEU A CB 1 ATOM 518 C CG . LEU A 1 68 ? -24.407 -1.457 12.706 1.00 7.81 ? 66 LEU A CG 1 ATOM 519 C CD1 . LEU A 1 68 ? -23.235 -1.629 13.638 1.00 6.82 ? 66 LEU A CD1 1 ATOM 520 C CD2 . LEU A 1 68 ? -25.187 -2.782 12.548 1.00 7.66 ? 66 LEU A CD2 1 ATOM 521 N N . LEU A 1 69 ? -28.251 -0.735 12.951 1.00 7.84 ? 67 LEU A N 1 ATOM 522 C CA . LEU A 1 69 ? -29.251 -1.796 12.920 1.00 8.36 ? 67 LEU A CA 1 ATOM 523 C C . LEU A 1 69 ? -30.536 -1.449 12.175 1.00 9.06 ? 67 LEU A C 1 ATOM 524 O O . LEU A 1 69 ? -31.311 -2.338 11.898 1.00 9.39 ? 67 LEU A O 1 ATOM 525 C CB . LEU A 1 69 ? -29.592 -2.271 14.348 1.00 7.84 ? 67 LEU A CB 1 ATOM 526 C CG . LEU A 1 69 ? -28.452 -2.986 15.080 1.00 6.78 ? 67 LEU A CG 1 ATOM 527 C CD1 . LEU A 1 69 ? -28.784 -3.165 16.595 1.00 9.76 ? 67 LEU A CD1 1 ATOM 528 C CD2 . LEU A 1 69 ? -28.205 -4.333 14.453 1.00 9.52 ? 67 LEU A CD2 1 ATOM 529 N N . THR A 1 70 ? -30.774 -0.170 11.870 1.00 9.12 ? 68 THR A N 1 ATOM 530 C CA . THR A 1 70 ? -32.036 0.214 11.211 1.00 9.90 ? 68 THR A CA 1 ATOM 531 C C . THR A 1 70 ? -31.851 1.100 9.963 1.00 9.53 ? 68 THR A C 1 ATOM 532 O O . THR A 1 70 ? -32.764 1.212 9.151 1.00 9.98 ? 68 THR A O 1 ATOM 533 C CB . THR A 1 70 ? -33.049 0.898 12.208 1.00 9.89 ? 68 THR A CB 1 ATOM 534 O OG1 . THR A 1 70 ? -32.600 2.218 12.471 1.00 15.17 ? 68 THR A OG1 1 ATOM 535 C CG2 . THR A 1 70 ? -33.098 0.184 13.521 1.00 9.18 ? 68 THR A CG2 1 ATOM 536 N N . GLU A 1 71 ? -30.693 1.736 9.821 1.00 9.37 ? 69 GLU A N 1 ATOM 537 C CA . GLU A 1 71 ? -30.442 2.602 8.664 1.00 9.13 ? 69 GLU A CA 1 ATOM 538 C C . GLU A 1 71 ? -29.529 1.987 7.601 1.00 8.74 ? 69 GLU A C 1 ATOM 539 O O . GLU A 1 71 ? -30.026 1.529 6.559 1.00 10.21 ? 69 GLU A O 1 ATOM 540 C CB . GLU A 1 71 ? -29.962 3.994 9.073 1.00 9.27 ? 69 GLU A CB 1 ATOM 541 C CG . GLU A 1 71 ? -30.845 4.660 10.106 1.00 9.38 ? 69 GLU A CG 1 ATOM 542 C CD . GLU A 1 71 ? -30.459 6.103 10.353 1.00 11.15 ? 69 GLU A CD 1 ATOM 543 O OE1 . GLU A 1 71 ? -30.925 6.967 9.587 1.00 7.90 ? 69 GLU A OE1 1 ATOM 544 O OE2 . GLU A 1 71 ? -29.724 6.386 11.326 1.00 10.06 ? 69 GLU A OE2 1 ATOM 545 N N . HIS A 1 72 ? -28.217 1.974 7.838 1.00 8.75 ? 70 HIS A N 1 ATOM 546 C CA . HIS A 1 72 ? -27.259 1.565 6.766 1.00 7.50 ? 70 HIS A CA 1 ATOM 547 C C . HIS A 1 72 ? -26.161 0.558 7.144 1.00 7.88 ? 70 HIS A C 1 ATOM 548 O O . HIS A 1 72 ? -25.158 0.410 6.397 1.00 7.00 ? 70 HIS A O 1 ATOM 549 C CB . HIS A 1 72 ? -26.641 2.790 6.050 1.00 7.81 ? 70 HIS A CB 1 ATOM 550 C CG . HIS A 1 72 ? -26.063 3.832 6.968 1.00 8.14 ? 70 HIS A CG 1 ATOM 551 N ND1 . HIS A 1 72 ? -25.224 3.530 8.022 1.00 7.89 ? 70 HIS A ND1 1 ATOM 552 C CD2 . HIS A 1 72 ? -26.189 5.184 6.963 1.00 9.74 ? 70 HIS A CD2 1 ATOM 553 C CE1 . HIS A 1 72 ? -24.859 4.650 8.625 1.00 8.78 ? 70 HIS A CE1 1 ATOM 554 N NE2 . HIS A 1 72 ? -25.429 5.667 7.999 1.00 10.55 ? 70 HIS A NE2 1 ATOM 555 N N . GLY A 1 73 ? -26.353 -0.144 8.262 1.00 7.76 ? 71 GLY A N 1 ATOM 556 C CA . GLY A 1 73 ? -25.414 -1.184 8.697 1.00 7.79 ? 71 GLY A CA 1 ATOM 557 C C . GLY A 1 73 ? -25.405 -2.381 7.745 1.00 8.40 ? 71 GLY A C 1 ATOM 558 O O . GLY A 1 73 ? -26.272 -2.488 6.863 1.00 8.10 ? 71 GLY A O 1 ATOM 559 N N . PRO A 1 74 ? -24.450 -3.314 7.938 1.00 8.31 ? 72 PRO A N 1 ATOM 560 C CA . PRO A 1 74 ? -24.309 -4.512 7.080 1.00 8.30 ? 72 PRO A CA 1 ATOM 561 C C . PRO A 1 74 ? -25.461 -5.524 7.208 1.00 9.14 ? 72 PRO A C 1 ATOM 562 O O . PRO A 1 74 ? -25.709 -6.336 6.291 1.00 8.58 ? 72 PRO A O 1 ATOM 563 C CB . PRO A 1 74 ? -22.992 -5.150 7.553 1.00 8.99 ? 72 PRO A CB 1 ATOM 564 C CG . PRO A 1 74 ? -22.656 -4.498 8.873 1.00 9.04 ? 72 PRO A CG 1 ATOM 565 C CD . PRO A 1 74 ? -23.451 -3.245 9.024 1.00 8.14 ? 72 PRO A CD 1 ATOM 566 N N . PHE A 1 75 ? -26.135 -5.467 8.343 1.00 9.29 ? 73 PHE A N 1 ATOM 567 C CA . PHE A 1 75 ? -27.346 -6.225 8.612 1.00 10.43 ? 73 PHE A CA 1 ATOM 568 C C . PHE A 1 75 ? -28.300 -5.356 9.454 1.00 10.06 ? 73 PHE A C 1 ATOM 569 O O . PHE A 1 75 ? -27.864 -4.485 10.217 1.00 10.64 ? 73 PHE A O 1 ATOM 570 C CB . PHE A 1 75 ? -27.004 -7.528 9.346 1.00 11.13 ? 73 PHE A CB 1 ATOM 571 C CG . PHE A 1 75 ? -25.708 -7.451 10.122 1.00 12.60 ? 73 PHE A CG 1 ATOM 572 C CD1 . PHE A 1 75 ? -25.621 -6.672 11.280 1.00 15.57 ? 73 PHE A CD1 1 ATOM 573 C CD2 . PHE A 1 75 ? -24.570 -8.117 9.667 1.00 16.12 ? 73 PHE A CD2 1 ATOM 574 C CE1 . PHE A 1 75 ? -24.432 -6.563 11.992 1.00 15.83 ? 73 PHE A CE1 1 ATOM 575 C CE2 . PHE A 1 75 ? -23.358 -8.026 10.392 1.00 16.95 ? 73 PHE A CE2 1 ATOM 576 C CZ . PHE A 1 75 ? -23.299 -7.232 11.542 1.00 14.63 ? 73 PHE A CZ 1 ATOM 577 N N . LEU A 1 76 ? -29.597 -5.608 9.291 1.00 9.70 ? 74 LEU A N 1 ATOM 578 C CA . LEU A 1 76 ? -30.659 -4.848 9.946 1.00 9.74 ? 74 LEU A CA 1 ATOM 579 C C . LEU A 1 76 ? -31.503 -5.770 10.784 1.00 10.20 ? 74 LEU A C 1 ATOM 580 O O . LEU A 1 76 ? -31.797 -6.909 10.375 1.00 9.58 ? 74 LEU A O 1 ATOM 581 C CB . LEU A 1 76 ? -31.538 -4.175 8.895 1.00 9.66 ? 74 LEU A CB 1 ATOM 582 C CG . LEU A 1 76 ? -30.808 -3.226 7.929 1.00 9.64 ? 74 LEU A CG 1 ATOM 583 C CD1 . LEU A 1 76 ? -31.788 -2.731 6.873 1.00 13.27 ? 74 LEU A CD1 1 ATOM 584 C CD2 . LEU A 1 76 ? -30.134 -2.047 8.629 1.00 10.47 ? 74 LEU A CD2 1 ATOM 585 N N . VAL A 1 77 ? -31.897 -5.273 11.954 1.00 10.32 ? 75 VAL A N 1 ATOM 586 C CA . VAL A 1 77 ? -32.715 -6.034 12.884 1.00 10.52 ? 75 VAL A CA 1 ATOM 587 C C . VAL A 1 77 ? -34.153 -6.179 12.366 1.00 11.99 ? 75 VAL A C 1 ATOM 588 O O . VAL A 1 77 ? -34.734 -5.231 11.838 1.00 10.45 ? 75 VAL A O 1 ATOM 589 C CB . VAL A 1 77 ? -32.666 -5.458 14.320 1.00 10.83 ? 75 VAL A CB 1 ATOM 590 C CG1 . VAL A 1 77 ? -33.306 -4.023 14.410 1.00 10.90 ? 75 VAL A CG1 1 ATOM 591 C CG2 . VAL A 1 77 ? -33.285 -6.435 15.331 1.00 10.12 ? 75 VAL A CG2 1 ATOM 592 N N . GLN A 1 78 ? -34.694 -7.392 12.500 1.00 12.11 ? 76 GLN A N 1 ATOM 593 C CA . GLN A 1 78 ? -36.041 -7.713 12.020 1.00 12.91 ? 76 GLN A CA 1 ATOM 594 C C . GLN A 1 78 ? -37.066 -7.462 13.133 1.00 13.43 ? 76 GLN A C 1 ATOM 595 O O . GLN A 1 78 ? -36.683 -7.341 14.298 1.00 12.38 ? 76 GLN A O 1 ATOM 596 C CB . GLN A 1 78 ? -36.058 -9.157 11.507 1.00 12.93 ? 76 GLN A CB 1 ATOM 597 C CG . GLN A 1 78 ? -35.068 -9.331 10.337 1.00 12.49 ? 76 GLN A CG 1 ATOM 598 C CD . GLN A 1 78 ? -35.369 -8.348 9.215 1.00 13.58 ? 76 GLN A CD 1 ATOM 599 O OE1 . GLN A 1 78 ? -36.400 -8.463 8.537 1.00 14.09 ? 76 GLN A OE1 1 ATOM 600 N NE2 . GLN A 1 78 ? -34.474 -7.371 9.010 1.00 11.44 ? 76 GLN A NE2 1 ATOM 601 N N . PRO A 1 79 ? -38.365 -7.340 12.785 1.00 14.01 ? 77 PRO A N 1 ATOM 602 C CA . PRO A 1 79 ? -39.394 -7.057 13.812 1.00 14.52 ? 77 PRO A CA 1 ATOM 603 C C . PRO A 1 79 ? -39.465 -8.015 15.015 1.00 14.87 ? 77 PRO A C 1 ATOM 604 O O . PRO A 1 79 ? -39.956 -7.626 16.076 1.00 15.32 ? 77 PRO A O 1 ATOM 605 C CB . PRO A 1 79 ? -40.696 -7.090 13.012 1.00 15.04 ? 77 PRO A CB 1 ATOM 606 C CG . PRO A 1 79 ? -40.254 -6.648 11.622 1.00 14.98 ? 77 PRO A CG 1 ATOM 607 C CD . PRO A 1 79 ? -38.955 -7.383 11.435 1.00 14.43 ? 77 PRO A CD 1 ATOM 608 N N . ASP A 1 80 ? -38.982 -9.242 14.857 1.00 14.78 ? 78 ASP A N 1 ATOM 609 C CA . ASP A 1 80 ? -38.926 -10.180 15.976 1.00 14.64 ? 78 ASP A CA 1 ATOM 610 C C . ASP A 1 80 ? -37.906 -9.793 17.047 1.00 14.79 ? 78 ASP A C 1 ATOM 611 O O . ASP A 1 80 ? -37.960 -10.298 18.183 1.00 14.29 ? 78 ASP A O 1 ATOM 612 C CB . ASP A 1 80 ? -38.739 -11.635 15.491 1.00 14.93 ? 78 ASP A CB 1 ATOM 613 C CG . ASP A 1 80 ? -37.416 -11.861 14.771 1.00 14.71 ? 78 ASP A CG 1 ATOM 614 O OD1 . ASP A 1 80 ? -36.583 -10.938 14.726 1.00 13.71 ? 78 ASP A OD1 1 ATOM 615 O OD2 . ASP A 1 80 ? -37.207 -12.973 14.241 1.00 16.67 ? 78 ASP A OD2 1 ATOM 616 N N . GLY A 1 81 ? -36.995 -8.869 16.707 1.00 13.83 ? 79 GLY A N 1 ATOM 617 C CA . GLY A 1 81 ? -35.989 -8.400 17.659 1.00 13.65 ? 79 GLY A CA 1 ATOM 618 C C . GLY A 1 81 ? -34.924 -9.445 17.971 1.00 13.34 ? 79 GLY A C 1 ATOM 619 O O . GLY A 1 81 ? -34.187 -9.321 18.954 1.00 13.12 ? 79 GLY A O 1 ATOM 620 N N . VAL A 1 82 ? -34.850 -10.463 17.112 1.00 13.52 ? 80 VAL A N 1 ATOM 621 C CA . VAL A 1 82 ? -33.947 -11.621 17.245 1.00 13.84 ? 80 VAL A CA 1 ATOM 622 C C . VAL A 1 82 ? -33.101 -11.804 15.977 1.00 13.70 ? 80 VAL A C 1 ATOM 623 O O . VAL A 1 82 ? -31.892 -12.010 16.041 1.00 13.10 ? 80 VAL A O 1 ATOM 624 C CB . VAL A 1 82 ? -34.747 -12.938 17.486 1.00 13.69 ? 80 VAL A CB 1 ATOM 625 C CG1 . VAL A 1 82 ? -33.819 -14.134 17.609 1.00 15.05 ? 80 VAL A CG1 1 ATOM 626 C CG2 . VAL A 1 82 ? -35.587 -12.819 18.745 1.00 15.48 ? 80 VAL A CG2 1 ATOM 627 N N . THR A 1 83 ? -33.754 -11.694 14.832 1.00 13.23 ? 81 THR A N 1 ATOM 628 C CA . THR A 1 83 ? -33.146 -12.018 13.556 1.00 13.43 ? 81 THR A CA 1 ATOM 629 C C . THR A 1 83 ? -32.506 -10.773 12.950 1.00 12.75 ? 81 THR A C 1 ATOM 630 O O . THR A 1 83 ? -33.077 -9.680 13.022 1.00 13.32 ? 81 THR A O 1 ATOM 631 C CB . THR A 1 83 ? -34.237 -12.557 12.609 1.00 13.39 ? 81 THR A CB 1 ATOM 632 O OG1 . THR A 1 83 ? -34.842 -13.702 13.214 1.00 14.09 ? 81 THR A OG1 1 ATOM 633 C CG2 . THR A 1 83 ? -33.679 -12.914 11.223 1.00 14.42 ? 81 THR A CG2 1 ATOM 634 N N . LEU A 1 84 ? -31.317 -10.949 12.382 1.00 12.45 ? 82 LEU A N 1 ATOM 635 C CA . LEU A 1 84 ? -30.650 -9.919 11.605 1.00 11.99 ? 82 LEU A CA 1 ATOM 636 C C . LEU A 1 84 ? -30.582 -10.366 10.158 1.00 12.39 ? 82 LEU A C 1 ATOM 637 O O . LEU A 1 84 ? -30.223 -11.519 9.878 1.00 12.17 ? 82 LEU A O 1 ATOM 638 C CB . LEU A 1 84 ? -29.215 -9.709 12.108 1.00 12.47 ? 82 LEU A CB 1 ATOM 639 C CG . LEU A 1 84 ? -28.969 -9.217 13.527 1.00 12.31 ? 82 LEU A CG 1 ATOM 640 C CD1 . LEU A 1 84 ? -27.482 -8.941 13.703 1.00 13.21 ? 82 LEU A CD1 1 ATOM 641 C CD2 . LEU A 1 84 ? -29.782 -7.957 13.801 1.00 9.06 ? 82 LEU A CD2 1 ATOM 642 N N . GLU A 1 85 ? -30.934 -9.474 9.231 1.00 12.04 ? 83 GLU A N 1 ATOM 643 C CA . GLU A 1 85 ? -30.801 -9.803 7.801 1.00 12.53 ? 83 GLU A CA 1 ATOM 644 C C . GLU A 1 85 ? -29.778 -8.923 7.138 1.00 11.68 ? 83 GLU A C 1 ATOM 645 O O . GLU A 1 85 ? -29.738 -7.721 7.385 1.00 11.40 ? 83 GLU A O 1 ATOM 646 C CB . GLU A 1 85 ? -32.126 -9.660 7.045 1.00 12.89 ? 83 GLU A CB 1 ATOM 647 C CG . GLU A 1 85 ? -33.290 -10.420 7.674 1.00 17.50 ? 83 GLU A CG 1 ATOM 648 C CD . GLU A 1 85 ? -33.272 -11.907 7.408 1.00 22.81 ? 83 GLU A CD 1 ATOM 649 O OE1 . GLU A 1 85 ? -32.316 -12.402 6.766 1.00 25.90 ? 83 GLU A OE1 1 ATOM 650 O OE2 . GLU A 1 85 ? -34.225 -12.588 7.860 1.00 25.71 ? 83 GLU A OE2 1 ATOM 651 N N . TYR A 1 86 ? -28.986 -9.519 6.249 1.00 11.01 ? 84 TYR A N 1 ATOM 652 C CA . TYR A 1 86 ? -28.022 -8.747 5.474 1.00 10.64 ? 84 TYR A CA 1 ATOM 653 C C . TYR A 1 86 ? -28.673 -7.638 4.652 1.00 9.98 ? 84 TYR A C 1 ATOM 654 O O . TYR A 1 86 ? -29.741 -7.805 4.051 1.00 10.61 ? 84 TYR A O 1 ATOM 655 C CB . TYR A 1 86 ? -27.118 -9.651 4.632 1.00 11.04 ? 84 TYR A CB 1 ATOM 656 C CG . TYR A 1 86 ? -26.067 -10.362 5.483 1.00 11.69 ? 84 TYR A CG 1 ATOM 657 C CD1 . TYR A 1 86 ? -24.832 -9.767 5.732 1.00 13.81 ? 84 TYR A CD1 1 ATOM 658 C CD2 . TYR A 1 86 ? -26.337 -11.606 6.070 1.00 13.61 ? 84 TYR A CD2 1 ATOM 659 C CE1 . TYR A 1 86 ? -23.860 -10.399 6.530 1.00 13.94 ? 84 TYR A CE1 1 ATOM 660 C CE2 . TYR A 1 86 ? -25.377 -12.259 6.858 1.00 13.75 ? 84 TYR A CE2 1 ATOM 661 C CZ . TYR A 1 86 ? -24.145 -11.640 7.091 1.00 14.14 ? 84 TYR A CZ 1 ATOM 662 O OH . TYR A 1 86 ? -23.192 -12.253 7.858 1.00 13.28 ? 84 TYR A OH 1 ATOM 663 N N . ASN A 1 87 ? -28.018 -6.491 4.683 1.00 9.04 ? 85 ASN A N 1 ATOM 664 C CA . ASN A 1 87 ? -28.453 -5.288 3.997 1.00 10.16 ? 85 ASN A CA 1 ATOM 665 C C . ASN A 1 87 ? -27.677 -5.151 2.702 1.00 9.93 ? 85 ASN A C 1 ATOM 666 O O . ASN A 1 87 ? -26.488 -4.879 2.747 1.00 9.56 ? 85 ASN A O 1 ATOM 667 C CB . ASN A 1 87 ? -28.161 -4.077 4.903 1.00 9.65 ? 85 ASN A CB 1 ATOM 668 C CG . ASN A 1 87 ? -28.516 -2.736 4.261 1.00 11.07 ? 85 ASN A CG 1 ATOM 669 O OD1 . ASN A 1 87 ? -29.165 -2.669 3.204 1.00 11.60 ? 85 ASN A OD1 1 ATOM 670 N ND2 . ASN A 1 87 ? -28.084 -1.651 4.908 1.00 9.33 ? 85 ASN A ND2 1 ATOM 671 N N . PRO A 1 88 ? -28.357 -5.300 1.544 1.00 10.59 ? 86 PRO A N 1 ATOM 672 C CA . PRO A 1 88 ? -27.680 -5.174 0.256 1.00 10.94 ? 86 PRO A CA 1 ATOM 673 C C . PRO A 1 88 ? -27.223 -3.752 -0.105 1.00 10.35 ? 86 PRO A C 1 ATOM 674 O O . PRO A 1 88 ? -26.472 -3.583 -1.066 1.00 9.72 ? 86 PRO A O 1 ATOM 675 C CB . PRO A 1 88 ? -28.725 -5.667 -0.766 1.00 11.75 ? 86 PRO A CB 1 ATOM 676 C CG . PRO A 1 88 ? -29.916 -6.066 0.005 1.00 11.97 ? 86 PRO A CG 1 ATOM 677 C CD . PRO A 1 88 ? -29.794 -5.570 1.402 1.00 11.08 ? 86 PRO A CD 1 ATOM 678 N N . TYR A 1 89 ? -27.667 -2.757 0.663 1.00 10.59 ? 87 TYR A N 1 ATOM 679 C CA . TYR A 1 89 ? -27.317 -1.350 0.437 1.00 11.00 ? 87 TYR A CA 1 ATOM 680 C C . TYR A 1 89 ? -26.478 -0.791 1.566 1.00 9.97 ? 87 TYR A C 1 ATOM 681 O O . TYR A 1 89 ? -26.380 0.426 1.748 1.00 9.69 ? 87 TYR A O 1 ATOM 682 C CB . TYR A 1 89 ? -28.590 -0.526 0.248 1.00 11.47 ? 87 TYR A CB 1 ATOM 683 C CG . TYR A 1 89 ? -29.517 -1.198 -0.739 1.00 13.47 ? 87 TYR A CG 1 ATOM 684 C CD1 . TYR A 1 89 ? -29.195 -1.241 -2.093 1.00 15.21 ? 87 TYR A CD1 1 ATOM 685 C CD2 . TYR A 1 89 ? -30.687 -1.829 -0.307 1.00 14.24 ? 87 TYR A CD2 1 ATOM 686 C CE1 . TYR A 1 89 ? -30.026 -1.870 -3.005 1.00 16.59 ? 87 TYR A CE1 1 ATOM 687 C CE2 . TYR A 1 89 ? -31.514 -2.462 -1.206 1.00 16.56 ? 87 TYR A CE2 1 ATOM 688 C CZ . TYR A 1 89 ? -31.180 -2.474 -2.551 1.00 15.40 ? 87 TYR A CZ 1 ATOM 689 O OH . TYR A 1 89 ? -32.004 -3.111 -3.451 1.00 16.67 ? 87 TYR A OH 1 ATOM 690 N N . SER A 1 90 ? -25.865 -1.691 2.323 1.00 9.59 ? 88 SER A N 1 ATOM 691 C CA . SER A 1 90 ? -25.011 -1.282 3.443 1.00 9.07 ? 88 SER A CA 1 ATOM 692 C C . SER A 1 90 ? -23.865 -0.350 3.050 1.00 9.12 ? 88 SER A C 1 ATOM 693 O O . SER A 1 90 ? -23.144 -0.581 2.070 1.00 8.99 ? 88 SER A O 1 ATOM 694 C CB . SER A 1 90 ? -24.408 -2.510 4.104 1.00 9.00 ? 88 SER A CB 1 ATOM 695 O OG . SER A 1 90 ? -23.543 -2.109 5.150 1.00 9.47 ? 88 SER A OG 1 ATOM 696 N N . TRP A 1 91 ? -23.656 0.691 3.844 1.00 8.86 ? 89 TRP A N 1 ATOM 697 C CA . TRP A 1 91 ? -22.553 1.608 3.557 1.00 9.12 ? 89 TRP A CA 1 ATOM 698 C C . TRP A 1 91 ? -21.179 0.935 3.693 1.00 8.95 ? 89 TRP A C 1 ATOM 699 O O . TRP A 1 91 ? -20.213 1.368 3.078 1.00 9.81 ? 89 TRP A O 1 ATOM 700 C CB . TRP A 1 91 ? -22.700 2.857 4.420 1.00 8.58 ? 89 TRP A CB 1 ATOM 701 C CG . TRP A 1 91 ? -23.826 3.751 3.932 1.00 7.52 ? 89 TRP A CG 1 ATOM 702 C CD1 . TRP A 1 91 ? -24.850 3.424 3.072 1.00 8.10 ? 89 TRP A CD1 1 ATOM 703 C CD2 . TRP A 1 91 ? -24.037 5.114 4.304 1.00 8.01 ? 89 TRP A CD2 1 ATOM 704 N NE1 . TRP A 1 91 ? -25.682 4.524 2.887 1.00 7.43 ? 89 TRP A NE1 1 ATOM 705 C CE2 . TRP A 1 91 ? -25.200 5.569 3.626 1.00 7.76 ? 89 TRP A CE2 1 ATOM 706 C CE3 . TRP A 1 91 ? -23.359 5.997 5.153 1.00 8.11 ? 89 TRP A CE3 1 ATOM 707 C CZ2 . TRP A 1 91 ? -25.698 6.885 3.771 1.00 7.20 ? 89 TRP A CZ2 1 ATOM 708 C CZ3 . TRP A 1 91 ? -23.852 7.304 5.291 1.00 8.04 ? 89 TRP A CZ3 1 ATOM 709 C CH2 . TRP A 1 91 ? -24.995 7.733 4.586 1.00 9.05 ? 89 TRP A CH2 1 ATOM 710 N N . ASN A 1 92 ? -21.104 -0.166 4.434 1.00 9.02 ? 90 ASN A N 1 ATOM 711 C CA . ASN A 1 92 ? -19.833 -0.886 4.545 1.00 10.14 ? 90 ASN A CA 1 ATOM 712 C C . ASN A 1 92 ? -19.527 -1.818 3.358 1.00 10.45 ? 90 ASN A C 1 ATOM 713 O O . ASN A 1 92 ? -18.547 -2.565 3.397 1.00 11.26 ? 90 ASN A O 1 ATOM 714 C CB . ASN A 1 92 ? -19.698 -1.636 5.891 1.00 9.88 ? 90 ASN A CB 1 ATOM 715 C CG . ASN A 1 92 ? -20.198 -3.081 5.817 1.00 10.82 ? 90 ASN A CG 1 ATOM 716 O OD1 . ASN A 1 92 ? -21.224 -3.371 5.185 1.00 8.43 ? 90 ASN A OD1 1 ATOM 717 N ND2 . ASN A 1 92 ? -19.459 -3.993 6.439 1.00 7.77 ? 90 ASN A ND2 1 ATOM 718 N N . LEU A 1 93 ? -20.346 -1.775 2.304 1.00 10.18 ? 91 LEU A N 1 ATOM 719 C CA . LEU A 1 93 ? -19.957 -2.412 1.043 1.00 10.79 ? 91 LEU A CA 1 ATOM 720 C C . LEU A 1 93 ? -18.678 -1.798 0.500 1.00 10.59 ? 91 LEU A C 1 ATOM 721 O O . LEU A 1 93 ? -17.874 -2.490 -0.145 1.00 10.33 ? 91 LEU A O 1 ATOM 722 C CB . LEU A 1 93 ? -21.073 -2.343 -0.009 1.00 10.83 ? 91 LEU A CB 1 ATOM 723 C CG . LEU A 1 93 ? -22.214 -3.344 0.232 1.00 11.56 ? 91 LEU A CG 1 ATOM 724 C CD1 . LEU A 1 93 ? -23.404 -2.965 -0.629 1.00 15.09 ? 91 LEU A CD1 1 ATOM 725 C CD2 . LEU A 1 93 ? -21.798 -4.780 -0.054 1.00 13.19 ? 91 LEU A CD2 1 ATOM 726 N N . ILE A 1 94 ? -18.483 -0.509 0.788 1.00 10.61 ? 92 ILE A N 1 ATOM 727 C CA . ILE A 1 94 ? -17.391 0.273 0.202 1.00 10.53 ? 92 ILE A CA 1 ATOM 728 C C . ILE A 1 94 ? -16.587 1.077 1.219 1.00 10.18 ? 92 ILE A C 1 ATOM 729 O O . ILE A 1 94 ? -15.707 1.863 0.841 1.00 9.91 ? 92 ILE A O 1 ATOM 730 C CB . ILE A 1 94 ? -17.925 1.207 -0.920 1.00 11.09 ? 92 ILE A CB 1 ATOM 731 C CG1 . ILE A 1 94 ? -19.025 2.142 -0.384 1.00 11.24 ? 92 ILE A CG1 1 ATOM 732 C CG2 . ILE A 1 94 ? -18.458 0.354 -2.088 1.00 9.82 ? 92 ILE A CG2 1 ATOM 733 C CD1 . ILE A 1 94 ? -19.393 3.311 -1.330 1.00 11.37 ? 92 ILE A CD1 1 ATOM 734 N N . ALA A 1 95 ? -16.866 0.882 2.507 1.00 9.93 ? 93 ALA A N 1 ATOM 735 C CA . ALA A 1 95 ? -16.182 1.684 3.539 1.00 8.68 ? 93 ALA A CA 1 ATOM 736 C C . ALA A 1 95 ? -16.065 0.933 4.855 1.00 8.62 ? 93 ALA A C 1 ATOM 737 O O . ALA A 1 95 ? -16.887 0.070 5.170 1.00 9.01 ? 93 ALA A O 1 ATOM 738 C CB . ALA A 1 95 ? -16.920 3.023 3.762 1.00 8.31 ? 93 ALA A CB 1 ATOM 739 N N . ASN A 1 96 ? -15.038 1.278 5.623 1.00 8.22 ? 94 ASN A N 1 ATOM 740 C CA . ASN A 1 96 ? -14.891 0.794 6.995 1.00 9.34 ? 94 ASN A CA 1 ATOM 741 C C . ASN A 1 96 ? -15.698 1.779 7.859 1.00 8.90 ? 94 ASN A C 1 ATOM 742 O O . ASN A 1 96 ? -15.324 2.942 7.990 1.00 10.14 ? 94 ASN A O 1 ATOM 743 C CB . ASN A 1 96 ? -13.428 0.827 7.381 1.00 9.09 ? 94 ASN A CB 1 ATOM 744 C CG . ASN A 1 96 ? -12.556 -0.015 6.460 1.00 11.11 ? 94 ASN A CG 1 ATOM 745 O OD1 . ASN A 1 96 ? -12.658 -1.232 6.454 1.00 11.44 ? 94 ASN A OD1 1 ATOM 746 N ND2 . ASN A 1 96 ? -11.648 0.635 5.730 1.00 10.43 ? 94 ASN A ND2 1 ATOM 747 N N . VAL A 1 97 ? -16.852 1.337 8.347 1.00 9.27 ? 95 VAL A N 1 ATOM 748 C CA . VAL A 1 97 ? -17.786 2.249 9.041 1.00 8.25 ? 95 VAL A CA 1 ATOM 749 C C . VAL A 1 97 ? -17.716 2.104 10.570 1.00 8.79 ? 95 VAL A C 1 ATOM 750 O O . VAL A 1 97 ? -17.896 1.011 11.126 1.00 8.74 ? 95 VAL A O 1 ATOM 751 C CB . VAL A 1 97 ? -19.240 2.138 8.520 1.00 8.60 ? 95 VAL A CB 1 ATOM 752 C CG1 . VAL A 1 97 ? -20.112 3.260 9.121 1.00 6.63 ? 95 VAL A CG1 1 ATOM 753 C CG2 . VAL A 1 97 ? -19.270 2.186 6.949 1.00 7.13 ? 95 VAL A CG2 1 ATOM 754 N N . LEU A 1 98 ? -17.403 3.224 11.217 1.00 7.34 ? 96 LEU A N 1 ATOM 755 C CA . LEU A 1 98 ? -17.231 3.277 12.654 1.00 6.93 ? 96 LEU A CA 1 ATOM 756 C C . LEU A 1 98 ? -18.484 3.929 13.268 1.00 6.38 ? 96 LEU A C 1 ATOM 757 O O . LEU A 1 98 ? -18.649 5.146 13.180 1.00 6.21 ? 96 LEU A O 1 ATOM 758 C CB . LEU A 1 98 ? -15.980 4.104 12.987 1.00 6.53 ? 96 LEU A CB 1 ATOM 759 C CG . LEU A 1 98 ? -15.724 4.366 14.480 1.00 6.93 ? 96 LEU A CG 1 ATOM 760 C CD1 . LEU A 1 98 ? -15.464 3.079 15.254 1.00 5.40 ? 96 LEU A CD1 1 ATOM 761 C CD2 . LEU A 1 98 ? -14.547 5.299 14.576 1.00 7.96 ? 96 LEU A CD2 1 ATOM 762 N N . TYR A 1 99 ? -19.347 3.107 13.860 1.00 6.66 ? 97 TYR A N 1 ATOM 763 C CA . TYR A 1 99 ? -20.540 3.580 14.587 1.00 7.46 ? 97 TYR A CA 1 ATOM 764 C C . TYR A 1 99 ? -20.181 3.854 16.058 1.00 8.18 ? 97 TYR A C 1 ATOM 765 O O . TYR A 1 99 ? -19.731 2.962 16.777 1.00 7.67 ? 97 TYR A O 1 ATOM 766 C CB . TYR A 1 99 ? -21.672 2.543 14.493 1.00 7.32 ? 97 TYR A CB 1 ATOM 767 C CG . TYR A 1 99 ? -22.184 2.290 13.073 1.00 8.75 ? 97 TYR A CG 1 ATOM 768 C CD1 . TYR A 1 99 ? -21.553 1.360 12.225 1.00 8.66 ? 97 TYR A CD1 1 ATOM 769 C CD2 . TYR A 1 99 ? -23.314 2.972 12.591 1.00 8.18 ? 97 TYR A CD2 1 ATOM 770 C CE1 . TYR A 1 99 ? -22.034 1.119 10.912 1.00 8.89 ? 97 TYR A CE1 1 ATOM 771 C CE2 . TYR A 1 99 ? -23.794 2.751 11.283 1.00 9.35 ? 97 TYR A CE2 1 ATOM 772 C CZ . TYR A 1 99 ? -23.149 1.819 10.458 1.00 9.03 ? 97 TYR A CZ 1 ATOM 773 O OH . TYR A 1 99 ? -23.613 1.606 9.185 1.00 8.79 ? 97 TYR A OH 1 ATOM 774 N N . LEU A 1 100 ? -20.413 5.082 16.511 1.00 8.08 ? 98 LEU A N 1 ATOM 775 C CA . LEU A 1 100 ? -19.928 5.477 17.831 1.00 7.75 ? 98 LEU A CA 1 ATOM 776 C C . LEU A 1 100 ? -21.075 5.955 18.698 1.00 7.86 ? 98 LEU A C 1 ATOM 777 O O . LEU A 1 100 ? -21.781 6.918 18.350 1.00 7.35 ? 98 LEU A O 1 ATOM 778 C CB . LEU A 1 100 ? -18.845 6.548 17.713 1.00 6.44 ? 98 LEU A CB 1 ATOM 779 C CG . LEU A 1 100 ? -18.141 7.017 19.000 1.00 7.19 ? 98 LEU A CG 1 ATOM 780 C CD1 . LEU A 1 100 ? -17.352 5.878 19.664 1.00 8.14 ? 98 LEU A CD1 1 ATOM 781 C CD2 . LEU A 1 100 ? -17.244 8.232 18.711 1.00 9.07 ? 98 LEU A CD2 1 ATOM 782 N N . GLU A 1 101 ? -21.286 5.263 19.815 1.00 8.01 ? 99 GLU A N 1 ATOM 783 C CA . GLU A 1 101 ? -22.339 5.674 20.729 1.00 7.74 ? 99 GLU A CA 1 ATOM 784 C C . GLU A 1 101 ? -21.787 6.815 21.565 1.00 8.25 ? 99 GLU A C 1 ATOM 785 O O . GLU A 1 101 ? -20.809 6.645 22.294 1.00 8.96 ? 99 GLU A O 1 ATOM 786 C CB . GLU A 1 101 ? -22.848 4.538 21.585 1.00 7.96 ? 99 GLU A CB 1 ATOM 787 C CG . GLU A 1 101 ? -23.519 3.399 20.795 1.00 9.67 ? 99 GLU A CG 1 ATOM 788 C CD . GLU A 1 101 ? -24.282 2.465 21.712 1.00 11.44 ? 99 GLU A CD 1 ATOM 789 O OE1 . GLU A 1 101 ? -23.628 1.722 22.481 1.00 10.23 ? 99 GLU A OE1 1 ATOM 790 O OE2 . GLU A 1 101 ? -25.534 2.497 21.674 1.00 12.49 ? 99 GLU A OE2 1 ATOM 791 N N . SER A 1 102 ? -22.411 7.982 21.427 1.00 7.61 ? 100 SER A N 1 ATOM 792 C CA . SER A 1 102 ? -21.842 9.231 21.914 1.00 8.33 ? 100 SER A CA 1 ATOM 793 C C . SER A 1 102 ? -22.939 10.282 22.144 1.00 8.21 ? 100 SER A C 1 ATOM 794 O O . SER A 1 102 ? -23.856 10.382 21.354 1.00 8.75 ? 100 SER A O 1 ATOM 795 C CB . SER A 1 102 ? -20.831 9.763 20.879 1.00 7.57 ? 100 SER A CB 1 ATOM 796 O OG . SER A 1 102 ? -20.255 11.005 21.285 1.00 9.40 ? 100 SER A OG 1 ATOM 797 N N . PRO A 1 103 ? -22.810 11.110 23.202 1.00 8.86 ? 101 PRO A N 1 ATOM 798 C CA . PRO A 1 103 ? -21.719 11.149 24.194 1.00 8.72 ? 101 PRO A CA 1 ATOM 799 C C . PRO A 1 103 ? -21.814 10.070 25.278 1.00 8.81 ? 101 PRO A C 1 ATOM 800 O O . PRO A 1 103 ? -22.613 9.144 25.168 1.00 8.26 ? 101 PRO A O 1 ATOM 801 C CB . PRO A 1 103 ? -21.866 12.560 24.803 1.00 9.16 ? 101 PRO A CB 1 ATOM 802 C CG . PRO A 1 103 ? -23.302 12.842 24.725 1.00 8.45 ? 101 PRO A CG 1 ATOM 803 C CD . PRO A 1 103 ? -23.794 12.188 23.437 1.00 8.21 ? 101 PRO A CD 1 ATOM 804 N N . ALA A 1 104 ? -21.000 10.195 26.325 1.00 8.96 ? 102 ALA A N 1 ATOM 805 C CA . ALA A 1 104 ? -20.996 9.224 27.404 1.00 9.01 ? 102 ALA A CA 1 ATOM 806 C C . ALA A 1 104 ? -22.400 9.064 27.996 1.00 9.11 ? 102 ALA A C 1 ATOM 807 O O . ALA A 1 104 ? -23.119 10.037 28.202 1.00 10.23 ? 102 ALA A O 1 ATOM 808 C CB . ALA A 1 104 ? -19.962 9.622 28.514 1.00 8.31 ? 102 ALA A CB 1 ATOM 809 N N . GLY A 1 105 ? -22.788 7.827 28.257 1.00 9.10 ? 103 GLY A N 1 ATOM 810 C CA . GLY A 1 105 ? -24.109 7.551 28.827 1.00 8.90 ? 103 GLY A CA 1 ATOM 811 C C . GLY A 1 105 ? -25.081 7.076 27.760 1.00 8.88 ? 103 GLY A C 1 ATOM 812 O O . GLY A 1 105 ? -26.097 6.497 28.082 1.00 9.66 ? 103 GLY A O 1 ATOM 813 N N . VAL A 1 106 ? -24.744 7.285 26.480 1.00 9.20 ? 104 VAL A N 1 ATOM 814 C CA . VAL A 1 106 ? -25.622 6.824 25.397 1.00 8.82 ? 104 VAL A CA 1 ATOM 815 C C . VAL A 1 106 ? -25.425 5.337 25.133 1.00 8.86 ? 104 VAL A C 1 ATOM 816 O O . VAL A 1 106 ? -24.330 4.910 24.825 1.00 9.25 ? 104 VAL A O 1 ATOM 817 C CB . VAL A 1 106 ? -25.415 7.632 24.095 1.00 9.04 ? 104 VAL A CB 1 ATOM 818 C CG1 . VAL A 1 106 ? -26.287 7.050 22.969 1.00 9.35 ? 104 VAL A CG1 1 ATOM 819 C CG2 . VAL A 1 106 ? -25.760 9.123 24.341 1.00 8.23 ? 104 VAL A CG2 1 ATOM 820 N N . GLY A 1 107 ? -26.510 4.561 25.209 1.00 8.62 ? 105 GLY A N 1 ATOM 821 C CA . GLY A 1 107 ? -26.464 3.153 24.859 1.00 8.05 ? 105 GLY A CA 1 ATOM 822 C C . GLY A 1 107 ? -25.532 2.404 25.787 1.00 8.85 ? 105 GLY A C 1 ATOM 823 O O . GLY A 1 107 ? -25.752 2.390 26.991 1.00 8.15 ? 105 GLY A O 1 ATOM 824 N N . PHE A 1 108 ? -24.478 1.803 25.233 1.00 8.63 ? 106 PHE A N 1 ATOM 825 C CA . PHE A 1 108 ? -23.491 1.110 26.067 1.00 9.00 ? 106 PHE A CA 1 ATOM 826 C C . PHE A 1 108 ? -22.325 1.972 26.532 1.00 8.81 ? 106 PHE A C 1 ATOM 827 O O . PHE A 1 108 ? -21.464 1.490 27.265 1.00 8.76 ? 106 PHE A O 1 ATOM 828 C CB . PHE A 1 108 ? -22.989 -0.158 25.369 1.00 9.39 ? 106 PHE A CB 1 ATOM 829 C CG . PHE A 1 108 ? -24.046 -1.208 25.211 1.00 11.34 ? 106 PHE A CG 1 ATOM 830 C CD1 . PHE A 1 108 ? -24.730 -1.699 26.323 1.00 10.74 ? 106 PHE A CD1 1 ATOM 831 C CD2 . PHE A 1 108 ? -24.354 -1.714 23.944 1.00 10.84 ? 106 PHE A CD2 1 ATOM 832 C CE1 . PHE A 1 108 ? -25.725 -2.692 26.180 1.00 11.23 ? 106 PHE A CE1 1 ATOM 833 C CE2 . PHE A 1 108 ? -25.347 -2.691 23.776 1.00 11.91 ? 106 PHE A CE2 1 ATOM 834 C CZ . PHE A 1 108 ? -26.037 -3.182 24.899 1.00 11.46 ? 106 PHE A CZ 1 ATOM 835 N N . SER A 1 109 ? -22.291 3.237 26.088 1.00 9.59 ? 107 SER A N 1 ATOM 836 C CA . SER A 1 109 ? -21.273 4.189 26.551 1.00 9.97 ? 107 SER A CA 1 ATOM 837 C C . SER A 1 109 ? -21.489 4.584 28.013 1.00 10.53 ? 107 SER A C 1 ATOM 838 O O . SER A 1 109 ? -22.609 4.526 28.529 1.00 11.03 ? 107 SER A O 1 ATOM 839 C CB . SER A 1 109 ? -21.231 5.429 25.641 1.00 9.91 ? 107 SER A CB 1 ATOM 840 O OG . SER A 1 109 ? -20.945 5.035 24.295 1.00 8.99 ? 107 SER A OG 1 ATOM 841 N N . TYR A 1 110 ? -20.410 4.956 28.695 1.00 11.07 ? 108 TYR A N 1 ATOM 842 C CA . TYR A 1 110 ? -20.511 5.221 30.125 1.00 11.44 ? 108 TYR A CA 1 ATOM 843 C C . TYR A 1 110 ? -19.315 6.049 30.578 1.00 11.80 ? 108 TYR A C 1 ATOM 844 O O . TYR A 1 110 ? -18.373 6.302 29.802 1.00 12.40 ? 108 TYR A O 1 ATOM 845 C CB . TYR A 1 110 ? -20.609 3.905 30.917 1.00 11.55 ? 108 TYR A CB 1 ATOM 846 C CG . TYR A 1 110 ? -19.296 3.129 30.977 1.00 11.05 ? 108 TYR A CG 1 ATOM 847 C CD1 . TYR A 1 110 ? -18.896 2.306 29.920 1.00 11.35 ? 108 TYR A CD1 1 ATOM 848 C CD2 . TYR A 1 110 ? -18.459 3.236 32.081 1.00 10.68 ? 108 TYR A CD2 1 ATOM 849 C CE1 . TYR A 1 110 ? -17.677 1.618 29.965 1.00 13.17 ? 108 TYR A CE1 1 ATOM 850 C CE2 . TYR A 1 110 ? -17.261 2.552 32.142 1.00 12.69 ? 108 TYR A CE2 1 ATOM 851 C CZ . TYR A 1 110 ? -16.876 1.747 31.088 1.00 12.74 ? 108 TYR A CZ 1 ATOM 852 O OH . TYR A 1 110 ? -15.690 1.063 31.165 1.00 13.91 ? 108 TYR A OH 1 ATOM 853 N N . SER A 1 111 ? -19.371 6.495 31.825 1.00 11.28 ? 109 SER A N 1 ATOM 854 C CA . SER A 1 111 ? -18.231 7.113 32.440 1.00 12.57 ? 109 SER A CA 1 ATOM 855 C C . SER A 1 111 ? -18.087 6.531 33.841 1.00 13.37 ? 109 SER A C 1 ATOM 856 O O . SER A 1 111 ? -19.053 6.034 34.456 1.00 13.16 ? 109 SER A O 1 ATOM 857 C CB . SER A 1 111 ? -18.347 8.643 32.448 1.00 12.32 ? 109 SER A CB 1 ATOM 858 O OG . SER A 1 111 ? -19.222 9.082 33.494 1.00 16.51 ? 109 SER A OG 1 ATOM 859 N N . ASP A 1 112 ? -16.869 6.561 34.342 1.00 14.73 ? 110 ASP A N 1 ATOM 860 C CA . ASP A 1 112 ? -16.625 5.967 35.644 1.00 15.45 ? 110 ASP A CA 1 ATOM 861 C C . ASP A 1 112 ? -17.365 6.687 36.767 1.00 16.02 ? 110 ASP A C 1 ATOM 862 O O . ASP A 1 112 ? -17.759 6.051 37.742 1.00 16.03 ? 110 ASP A O 1 ATOM 863 C CB . ASP A 1 112 ? -15.133 5.827 35.877 1.00 16.33 ? 110 ASP A CB 1 ATOM 864 C CG . ASP A 1 112 ? -14.500 4.892 34.860 1.00 15.79 ? 110 ASP A CG 1 ATOM 865 O OD1 . ASP A 1 112 ? -15.063 3.822 34.580 1.00 19.49 ? 110 ASP A OD1 1 ATOM 866 O OD2 . ASP A 1 112 ? -13.446 5.214 34.325 1.00 20.67 ? 110 ASP A OD2 1 ATOM 867 N N . ASP A 1 113 ? -17.601 7.989 36.606 1.00 16.08 ? 111 ASP A N 1 ATOM 868 C CA . ASP A 1 113 ? -18.341 8.761 37.619 1.00 17.30 ? 111 ASP A CA 1 ATOM 869 C C . ASP A 1 113 ? -19.843 8.933 37.304 1.00 17.54 ? 111 ASP A C 1 ATOM 870 O O . ASP A 1 113 ? -20.584 9.523 38.093 1.00 17.33 ? 111 ASP A O 1 ATOM 871 C CB . ASP A 1 113 ? -17.657 10.104 37.902 1.00 17.40 ? 111 ASP A CB 1 ATOM 872 C CG . ASP A 1 113 ? -17.661 11.040 36.707 1.00 18.63 ? 111 ASP A CG 1 ATOM 873 O OD1 . ASP A 1 113 ? -18.294 10.729 35.668 1.00 18.04 ? 111 ASP A OD1 1 ATOM 874 O OD2 . ASP A 1 113 ? -17.021 12.110 36.812 1.00 20.08 ? 111 ASP A OD2 1 ATOM 875 N N . LYS A 1 114 ? -20.282 8.390 36.165 1.00 17.22 ? 112 LYS A N 1 ATOM 876 C CA . LYS A 1 114 ? -21.693 8.438 35.745 1.00 18.18 ? 112 LYS A CA 1 ATOM 877 C C . LYS A 1 114 ? -22.290 9.851 35.695 1.00 17.13 ? 112 LYS A C 1 ATOM 878 O O . LYS A 1 114 ? -23.496 10.024 35.903 1.00 17.87 ? 112 LYS A O 1 ATOM 879 C CB . LYS A 1 114 ? -22.559 7.549 36.648 1.00 18.03 ? 112 LYS A CB 1 ATOM 880 C CG . LYS A 1 114 ? -22.739 6.116 36.175 1.00 21.24 ? 112 LYS A CG 1 ATOM 881 C CD . LYS A 1 114 ? -23.470 5.274 37.247 1.00 21.67 ? 112 LYS A CD 1 ATOM 882 C CE . LYS A 1 114 ? -22.486 4.638 38.227 1.00 25.39 ? 112 LYS A CE 1 ATOM 883 N NZ . LYS A 1 114 ? -21.671 3.509 37.651 1.00 27.79 ? 112 LYS A NZ 1 ATOM 884 N N . PHE A 1 115 ? -21.466 10.854 35.424 1.00 15.79 ? 113 PHE A N 1 ATOM 885 C CA . PHE A 1 115 ? -21.968 12.225 35.314 1.00 15.15 ? 113 PHE A CA 1 ATOM 886 C C . PHE A 1 115 ? -22.048 12.604 33.846 1.00 14.37 ? 113 PHE A C 1 ATOM 887 O O . PHE A 1 115 ? -21.022 12.798 33.186 1.00 14.55 ? 113 PHE A O 1 ATOM 888 C CB . PHE A 1 115 ? -21.100 13.213 36.098 1.00 16.16 ? 113 PHE A CB 1 ATOM 889 C CG . PHE A 1 115 ? -21.093 12.959 37.591 1.00 18.30 ? 113 PHE A CG 1 ATOM 890 C CD1 . PHE A 1 115 ? -22.282 12.657 38.264 1.00 20.03 ? 113 PHE A CD1 1 ATOM 891 C CD2 . PHE A 1 115 ? -19.910 13.041 38.318 1.00 19.36 ? 113 PHE A CD2 1 ATOM 892 C CE1 . PHE A 1 115 ? -22.291 12.420 39.634 1.00 20.58 ? 113 PHE A CE1 1 ATOM 893 C CE2 . PHE A 1 115 ? -19.902 12.808 39.698 1.00 19.87 ? 113 PHE A CE2 1 ATOM 894 C CZ . PHE A 1 115 ? -21.090 12.497 40.354 1.00 20.24 ? 113 PHE A CZ 1 ATOM 895 N N . TYR A 1 116 ? -23.274 12.691 33.348 1.00 12.97 ? 114 TYR A N 1 ATOM 896 C CA . TYR A 1 116 ? -23.516 12.739 31.913 1.00 12.80 ? 114 TYR A CA 1 ATOM 897 C C . TYR A 1 116 ? -24.004 14.089 31.405 1.00 12.71 ? 114 TYR A C 1 ATOM 898 O O . TYR A 1 116 ? -24.301 14.204 30.206 1.00 12.80 ? 114 TYR A O 1 ATOM 899 C CB . TYR A 1 116 ? -24.491 11.613 31.495 1.00 12.16 ? 114 TYR A CB 1 ATOM 900 C CG . TYR A 1 116 ? -23.942 10.210 31.757 1.00 11.99 ? 114 TYR A CG 1 ATOM 901 C CD1 . TYR A 1 116 ? -22.587 9.931 31.595 1.00 11.76 ? 114 TYR A CD1 1 ATOM 902 C CD2 . TYR A 1 116 ? -24.773 9.185 32.201 1.00 11.18 ? 114 TYR A CD2 1 ATOM 903 C CE1 . TYR A 1 116 ? -22.061 8.646 31.847 1.00 11.79 ? 114 TYR A CE1 1 ATOM 904 C CE2 . TYR A 1 116 ? -24.263 7.887 32.462 1.00 13.02 ? 114 TYR A CE2 1 ATOM 905 C CZ . TYR A 1 116 ? -22.903 7.639 32.296 1.00 11.78 ? 114 TYR A CZ 1 ATOM 906 O OH . TYR A 1 116 ? -22.377 6.388 32.539 1.00 12.39 ? 114 TYR A OH 1 ATOM 907 N N . ALA A 1 117 ? -24.110 15.098 32.289 1.00 11.93 ? 115 ALA A N 1 ATOM 908 C CA . ALA A 1 117 ? -24.387 16.461 31.840 1.00 12.42 ? 115 ALA A CA 1 ATOM 909 C C . ALA A 1 117 ? -23.231 16.925 30.955 1.00 12.35 ? 115 ALA A C 1 ATOM 910 O O . ALA A 1 117 ? -22.083 16.869 31.354 1.00 12.04 ? 115 ALA A O 1 ATOM 911 C CB . ALA A 1 117 ? -24.610 17.439 33.010 1.00 12.25 ? 115 ALA A CB 1 ATOM 912 N N . THR A 1 118 ? -23.550 17.358 29.740 1.00 11.97 ? 116 THR A N 1 ATOM 913 C CA . THR A 1 118 ? -22.528 17.775 28.793 1.00 11.24 ? 116 THR A CA 1 ATOM 914 C C . THR A 1 118 ? -23.025 18.894 27.866 1.00 11.53 ? 116 THR A C 1 ATOM 915 O O . THR A 1 118 ? -24.131 19.411 28.050 1.00 11.46 ? 116 THR A O 1 ATOM 916 C CB . THR A 1 118 ? -21.952 16.581 28.011 1.00 11.69 ? 116 THR A CB 1 ATOM 917 O OG1 . THR A 1 118 ? -20.748 16.998 27.329 1.00 8.82 ? 116 THR A OG1 1 ATOM 918 C CG2 . THR A 1 118 ? -22.993 16.011 27.024 1.00 11.08 ? 116 THR A CG2 1 ATOM 919 N N . ASN A 1 119 ? -22.177 19.322 26.931 1.00 11.74 ? 117 ASN A N 1 ATOM 920 C CA . ASN A 1 119 ? -22.523 20.401 26.003 1.00 11.42 ? 117 ASN A CA 1 ATOM 921 C C . ASN A 1 119 ? -21.778 20.248 24.684 1.00 11.50 ? 117 ASN A C 1 ATOM 922 O O . ASN A 1 119 ? -20.877 19.423 24.585 1.00 10.83 ? 117 ASN A O 1 ATOM 923 C CB . ASN A 1 119 ? -22.230 21.778 26.625 1.00 12.17 ? 117 ASN A CB 1 ATOM 924 C CG . ASN A 1 119 ? -20.770 21.964 26.985 1.00 13.60 ? 117 ASN A CG 1 ATOM 925 O OD1 . ASN A 1 119 ? -19.872 21.806 26.148 1.00 12.59 ? 117 ASN A OD1 1 ATOM 926 N ND2 . ASN A 1 119 ? -20.531 22.343 28.246 1.00 19.27 ? 117 ASN A ND2 1 ATOM 927 N N . ASP A 1 120 ? -22.133 21.049 23.680 1.00 11.26 ? 118 ASP A N 1 ATOM 928 C CA . ASP A 1 120 ? -21.578 20.833 22.332 1.00 11.55 ? 118 ASP A CA 1 ATOM 929 C C . ASP A 1 120 ? -20.053 20.819 22.339 1.00 11.24 ? 118 ASP A C 1 ATOM 930 O O . ASP A 1 120 ? -19.450 19.999 21.670 1.00 11.78 ? 118 ASP A O 1 ATOM 931 C CB . ASP A 1 120 ? -22.056 21.893 21.322 1.00 11.90 ? 118 ASP A CB 1 ATOM 932 C CG . ASP A 1 120 ? -23.561 21.893 21.113 1.00 11.60 ? 118 ASP A CG 1 ATOM 933 O OD1 . ASP A 1 120 ? -24.173 20.801 21.143 1.00 11.10 ? 118 ASP A OD1 1 ATOM 934 O OD2 . ASP A 1 120 ? -24.123 23.002 20.893 1.00 12.56 ? 118 ASP A OD2 1 ATOM 935 N N . THR A 1 121 ? -19.432 21.742 23.071 1.00 11.14 ? 119 THR A N 1 ATOM 936 C CA . THR A 1 121 ? -17.972 21.848 23.050 1.00 11.66 ? 119 THR A CA 1 ATOM 937 C C . THR A 1 121 ? -17.286 20.626 23.673 1.00 10.99 ? 119 THR A C 1 ATOM 938 O O . THR A 1 121 ? -16.297 20.107 23.140 1.00 10.00 ? 119 THR A O 1 ATOM 939 C CB . THR A 1 121 ? -17.448 23.186 23.720 1.00 11.95 ? 119 THR A CB 1 ATOM 940 O OG1 . THR A 1 121 ? -18.047 23.349 25.007 1.00 16.15 ? 119 THR A OG1 1 ATOM 941 C CG2 . THR A 1 121 ? -17.832 24.393 22.896 1.00 11.38 ? 119 THR A CG2 1 ATOM 942 N N . GLU A 1 122 ? -17.819 20.163 24.795 1.00 10.58 ? 120 GLU A N 1 ATOM 943 C CA . GLU A 1 122 ? -17.252 19.011 25.468 1.00 10.39 ? 120 GLU A CA 1 ATOM 944 C C . GLU A 1 122 ? -17.460 17.746 24.621 1.00 9.99 ? 120 GLU A C 1 ATOM 945 O O . GLU A 1 122 ? -16.561 16.900 24.529 1.00 8.74 ? 120 GLU A O 1 ATOM 946 C CB . GLU A 1 122 ? -17.842 18.844 26.872 1.00 10.58 ? 120 GLU A CB 1 ATOM 947 C CG . GLU A 1 122 ? -17.281 17.611 27.594 1.00 11.18 ? 120 GLU A CG 1 ATOM 948 C CD . GLU A 1 122 ? -17.784 17.462 28.998 1.00 15.19 ? 120 GLU A CD 1 ATOM 949 O OE1 . GLU A 1 122 ? -19.013 17.547 29.228 1.00 16.16 ? 120 GLU A OE1 1 ATOM 950 O OE2 . GLU A 1 122 ? -16.935 17.237 29.878 1.00 19.67 ? 120 GLU A OE2 1 ATOM 951 N N . VAL A 1 123 ? -18.648 17.622 24.015 1.00 9.33 ? 121 VAL A N 1 ATOM 952 C CA . VAL A 1 123 ? -18.936 16.476 23.132 1.00 8.40 ? 121 VAL A CA 1 ATOM 953 C C . VAL A 1 123 ? -17.939 16.434 21.962 1.00 8.79 ? 121 VAL A C 1 ATOM 954 O O . VAL A 1 123 ? -17.392 15.363 21.641 1.00 8.62 ? 121 VAL A O 1 ATOM 955 C CB . VAL A 1 123 ? -20.394 16.509 22.589 1.00 8.00 ? 121 VAL A CB 1 ATOM 956 C CG1 . VAL A 1 123 ? -20.602 15.436 21.515 1.00 6.49 ? 121 VAL A CG1 1 ATOM 957 C CG2 . VAL A 1 123 ? -21.406 16.291 23.739 1.00 8.12 ? 121 VAL A CG2 1 ATOM 958 N N . ALA A 1 124 ? -17.718 17.585 21.328 1.00 9.15 ? 122 ALA A N 1 ATOM 959 C CA . ALA A 1 124 ? -16.743 17.638 20.236 1.00 9.15 ? 122 ALA A CA 1 ATOM 960 C C . ALA A 1 124 ? -15.348 17.188 20.706 1.00 9.50 ? 122 ALA A C 1 ATOM 961 O O . ALA A 1 124 ? -14.709 16.338 20.064 1.00 9.94 ? 122 ALA A O 1 ATOM 962 C CB . ALA A 1 124 ? -16.714 19.020 19.569 1.00 9.56 ? 122 ALA A CB 1 ATOM 963 N N . GLN A 1 125 ? -14.878 17.732 21.821 1.00 10.00 ? 123 GLN A N 1 ATOM 964 C CA . GLN A 1 125 ? -13.537 17.368 22.320 1.00 10.21 ? 123 GLN A CA 1 ATOM 965 C C . GLN A 1 125 ? -13.430 15.892 22.712 1.00 9.47 ? 123 GLN A C 1 ATOM 966 O O . GLN A 1 125 ? -12.429 15.257 22.428 1.00 10.21 ? 123 GLN A O 1 ATOM 967 C CB . GLN A 1 125 ? -13.096 18.273 23.485 1.00 10.40 ? 123 GLN A CB 1 ATOM 968 C CG . GLN A 1 125 ? -11.713 17.888 24.063 1.00 11.61 ? 123 GLN A CG 1 ATOM 969 C CD . GLN A 1 125 ? -10.571 18.129 23.064 1.00 13.25 ? 123 GLN A CD 1 ATOM 970 O OE1 . GLN A 1 125 ? -10.630 19.050 22.252 1.00 12.16 ? 123 GLN A OE1 1 ATOM 971 N NE2 . GLN A 1 125 ? -9.537 17.295 23.128 1.00 14.40 ? 123 GLN A NE2 1 ATOM 972 N N . SER A 1 126 ? -14.469 15.344 23.348 1.00 9.79 ? 124 SER A N 1 ATOM 973 C CA . SER A 1 126 ? -14.490 13.929 23.710 1.00 9.94 ? 124 SER A CA 1 ATOM 974 C C . SER A 1 126 ? -14.503 12.986 22.477 1.00 9.65 ? 124 SER A C 1 ATOM 975 O O . SER A 1 126 ? -13.774 12.002 22.448 1.00 9.14 ? 124 SER A O 1 ATOM 976 C CB . SER A 1 126 ? -15.675 13.632 24.658 1.00 10.49 ? 124 SER A CB 1 ATOM 977 O OG . SER A 1 126 ? -15.644 12.273 25.091 1.00 13.71 ? 124 SER A OG 1 ATOM 978 N N . ASN A 1 127 ? -15.335 13.294 21.480 1.00 9.05 ? 125 ASN A N 1 ATOM 979 C CA . ASN A 1 127 ? -15.323 12.587 20.187 1.00 9.23 ? 125 ASN A CA 1 ATOM 980 C C . ASN A 1 127 ? -13.942 12.669 19.507 1.00 8.76 ? 125 ASN A C 1 ATOM 981 O O . ASN A 1 127 ? -13.479 11.677 18.918 1.00 9.65 ? 125 ASN A O 1 ATOM 982 C CB . ASN A 1 127 ? -16.372 13.176 19.210 1.00 8.02 ? 125 ASN A CB 1 ATOM 983 C CG . ASN A 1 127 ? -17.820 12.761 19.524 1.00 8.64 ? 125 ASN A CG 1 ATOM 984 O OD1 . ASN A 1 127 ? -18.770 13.479 19.146 1.00 10.06 ? 125 ASN A OD1 1 ATOM 985 N ND2 . ASN A 1 127 ? -18.004 11.599 20.144 1.00 5.73 ? 125 ASN A ND2 1 ATOM 986 N N . PHE A 1 128 ? -13.300 13.838 19.561 1.00 8.68 ? 126 PHE A N 1 ATOM 987 C CA . PHE A 1 128 ? -11.950 13.979 18.998 1.00 9.49 ? 126 PHE A CA 1 ATOM 988 C C . PHE A 1 128 ? -10.965 13.022 19.698 1.00 9.43 ? 126 PHE A C 1 ATOM 989 O O . PHE A 1 128 ? -10.228 12.295 19.040 1.00 9.30 ? 126 PHE A O 1 ATOM 990 C CB . PHE A 1 128 ? -11.431 15.425 19.046 1.00 9.56 ? 126 PHE A CB 1 ATOM 991 C CG . PHE A 1 128 ? -10.023 15.571 18.538 1.00 11.71 ? 126 PHE A CG 1 ATOM 992 C CD1 . PHE A 1 128 ? -9.730 15.392 17.181 1.00 13.75 ? 126 PHE A CD1 1 ATOM 993 C CD2 . PHE A 1 128 ? -8.978 15.860 19.416 1.00 13.12 ? 126 PHE A CD2 1 ATOM 994 C CE1 . PHE A 1 128 ? -8.426 15.505 16.708 1.00 13.30 ? 126 PHE A CE1 1 ATOM 995 C CE2 . PHE A 1 128 ? -7.669 15.969 18.958 1.00 14.44 ? 126 PHE A CE2 1 ATOM 996 C CZ . PHE A 1 128 ? -7.388 15.799 17.604 1.00 14.08 ? 126 PHE A CZ 1 ATOM 997 N N . GLU A 1 129 ? -10.970 13.024 21.024 1.00 9.45 ? 127 GLU A N 1 ATOM 998 C CA . GLU A 1 129 ? -10.121 12.092 21.786 1.00 10.70 ? 127 GLU A CA 1 ATOM 999 C C . GLU A 1 129 ? -10.458 10.614 21.530 1.00 9.89 ? 127 GLU A C 1 ATOM 1000 O O . GLU A 1 129 ? -9.565 9.754 21.526 1.00 9.38 ? 127 GLU A O 1 ATOM 1001 C CB . GLU A 1 129 ? -10.183 12.424 23.272 1.00 10.10 ? 127 GLU A CB 1 ATOM 1002 C CG . GLU A 1 129 ? -9.444 13.741 23.624 1.00 11.28 ? 127 GLU A CG 1 ATOM 1003 C CD . GLU A 1 129 ? -9.590 14.152 25.086 1.00 13.18 ? 127 GLU A CD 1 ATOM 1004 O OE1 . GLU A 1 129 ? -9.432 13.291 25.976 1.00 15.54 ? 127 GLU A OE1 1 ATOM 1005 O OE2 . GLU A 1 129 ? -9.825 15.354 25.346 1.00 15.10 ? 127 GLU A OE2 1 ATOM 1006 N N . ALA A 1 130 ? -11.741 10.316 21.342 1.00 9.96 ? 128 ALA A N 1 ATOM 1007 C CA . ALA A 1 130 ? -12.169 8.950 21.021 1.00 9.95 ? 128 ALA A CA 1 ATOM 1008 C C . ALA A 1 130 ? -11.594 8.511 19.678 1.00 10.03 ? 128 ALA A C 1 ATOM 1009 O O . ALA A 1 130 ? -11.148 7.356 19.526 1.00 10.97 ? 128 ALA A O 1 ATOM 1010 C CB . ALA A 1 130 ? -13.701 8.850 21.028 1.00 10.01 ? 128 ALA A CB 1 ATOM 1011 N N . LEU A 1 131 ? -11.623 9.414 18.694 1.00 10.53 ? 129 LEU A N 1 ATOM 1012 C CA . LEU A 1 131 ? -10.996 9.145 17.395 1.00 10.86 ? 129 LEU A CA 1 ATOM 1013 C C . LEU A 1 131 ? -9.494 8.929 17.495 1.00 10.61 ? 129 LEU A C 1 ATOM 1014 O O . LEU A 1 131 ? -8.967 8.040 16.846 1.00 9.79 ? 129 LEU A O 1 ATOM 1015 C CB . LEU A 1 131 ? -11.231 10.281 16.395 1.00 11.74 ? 129 LEU A CB 1 ATOM 1016 C CG . LEU A 1 131 ? -12.433 10.271 15.468 1.00 13.67 ? 129 LEU A CG 1 ATOM 1017 C CD1 . LEU A 1 131 ? -12.249 11.466 14.564 1.00 13.86 ? 129 LEU A CD1 1 ATOM 1018 C CD2 . LEU A 1 131 ? -12.530 8.970 14.627 1.00 14.96 ? 129 LEU A CD2 1 ATOM 1019 N N . GLN A 1 132 ? -8.802 9.761 18.274 1.00 11.07 ? 130 GLN A N 1 ATOM 1020 C CA . GLN A 1 132 ? -7.375 9.510 18.532 1.00 11.71 ? 130 GLN A CA 1 ATOM 1021 C C . GLN A 1 132 ? -7.179 8.091 19.101 1.00 10.97 ? 130 GLN A C 1 ATOM 1022 O O . GLN A 1 132 ? -6.294 7.348 18.658 1.00 9.76 ? 130 GLN A O 1 ATOM 1023 C CB . GLN A 1 132 ? -6.762 10.546 19.467 1.00 11.01 ? 130 GLN A CB 1 ATOM 1024 C CG . GLN A 1 132 ? -6.687 11.967 18.920 1.00 13.63 ? 130 GLN A CG 1 ATOM 1025 C CD . GLN A 1 132 ? -6.071 12.917 19.913 1.00 14.15 ? 130 GLN A CD 1 ATOM 1026 O OE1 . GLN A 1 132 ? -6.524 13.020 21.059 1.00 13.19 ? 130 GLN A OE1 1 ATOM 1027 N NE2 . GLN A 1 132 ? -5.021 13.630 19.484 1.00 17.56 ? 130 GLN A NE2 1 ATOM 1028 N N . ASP A 1 133 ? -8.016 7.709 20.073 1.00 11.09 ? 131 ASP A N 1 ATOM 1029 C CA . ASP A 1 133 ? -7.940 6.372 20.648 1.00 11.44 ? 131 ASP A CA 1 ATOM 1030 C C . ASP A 1 133 ? -8.185 5.273 19.606 1.00 11.67 ? 131 ASP A C 1 ATOM 1031 O O . ASP A 1 133 ? -7.505 4.221 19.590 1.00 10.31 ? 131 ASP A O 1 ATOM 1032 C CB . ASP A 1 133 ? -8.931 6.227 21.812 1.00 12.06 ? 131 ASP A CB 1 ATOM 1033 C CG . ASP A 1 133 ? -8.478 5.196 22.842 1.00 14.14 ? 131 ASP A CG 1 ATOM 1034 O OD1 . ASP A 1 133 ? -7.261 5.140 23.149 1.00 13.93 ? 131 ASP A OD1 1 ATOM 1035 O OD2 . ASP A 1 133 ? -9.345 4.453 23.338 1.00 13.52 ? 131 ASP A OD2 1 ATOM 1036 N N . PHE A 1 134 ? -9.170 5.509 18.744 1.00 10.84 ? 132 PHE A N 1 ATOM 1037 C CA . PHE A 1 134 ? -9.447 4.573 17.666 1.00 10.90 ? 132 PHE A CA 1 ATOM 1038 C C . PHE A 1 134 ? -8.185 4.288 16.839 1.00 10.75 ? 132 PHE A C 1 ATOM 1039 O O . PHE A 1 134 ? -7.876 3.127 16.564 1.00 11.50 ? 132 PHE A O 1 ATOM 1040 C CB . PHE A 1 134 ? -10.544 5.124 16.762 1.00 10.97 ? 132 PHE A CB 1 ATOM 1041 C CG . PHE A 1 134 ? -10.792 4.274 15.553 1.00 9.89 ? 132 PHE A CG 1 ATOM 1042 C CD1 . PHE A 1 134 ? -11.510 3.086 15.670 1.00 11.73 ? 132 PHE A CD1 1 ATOM 1043 C CD2 . PHE A 1 134 ? -10.254 4.625 14.314 1.00 13.32 ? 132 PHE A CD2 1 ATOM 1044 C CE1 . PHE A 1 134 ? -11.733 2.274 14.542 1.00 10.23 ? 132 PHE A CE1 1 ATOM 1045 C CE2 . PHE A 1 134 ? -10.465 3.818 13.187 1.00 12.11 ? 132 PHE A CE2 1 ATOM 1046 C CZ . PHE A 1 134 ? -11.210 2.651 13.308 1.00 10.80 ? 132 PHE A CZ 1 ATOM 1047 N N . PHE A 1 135 ? -7.472 5.347 16.447 1.00 11.25 ? 133 PHE A N 1 ATOM 1048 C CA . PHE A 1 135 ? -6.239 5.213 15.655 1.00 11.51 ? 133 PHE A CA 1 ATOM 1049 C C . PHE A 1 135 ? -5.081 4.580 16.429 1.00 11.59 ? 133 PHE A C 1 ATOM 1050 O O . PHE A 1 135 ? -4.213 3.935 15.830 1.00 11.61 ? 133 PHE A O 1 ATOM 1051 C CB . PHE A 1 135 ? -5.850 6.554 15.011 1.00 12.28 ? 133 PHE A CB 1 ATOM 1052 C CG . PHE A 1 135 ? -6.820 6.992 13.927 1.00 12.39 ? 133 PHE A CG 1 ATOM 1053 C CD1 . PHE A 1 135 ? -7.053 6.163 12.824 1.00 13.56 ? 133 PHE A CD1 1 ATOM 1054 C CD2 . PHE A 1 135 ? -7.534 8.188 14.039 1.00 13.65 ? 133 PHE A CD2 1 ATOM 1055 C CE1 . PHE A 1 135 ? -7.965 6.524 11.810 1.00 13.31 ? 133 PHE A CE1 1 ATOM 1056 C CE2 . PHE A 1 135 ? -8.458 8.571 13.039 1.00 14.38 ? 133 PHE A CE2 1 ATOM 1057 C CZ . PHE A 1 135 ? -8.665 7.731 11.920 1.00 13.35 ? 133 PHE A CZ 1 ATOM 1058 N N . ARG A 1 136 ? -5.076 4.741 17.752 1.00 11.66 ? 134 ARG A N 1 ATOM 1059 C CA . ARG A 1 136 ? -4.109 4.024 18.585 1.00 12.50 ? 134 ARG A CA 1 ATOM 1060 C C . ARG A 1 136 ? -4.411 2.524 18.572 1.00 12.79 ? 134 ARG A C 1 ATOM 1061 O O . ARG A 1 136 ? -3.494 1.696 18.518 1.00 12.06 ? 134 ARG A O 1 ATOM 1062 C CB . ARG A 1 136 ? -4.069 4.577 20.002 1.00 12.80 ? 134 ARG A CB 1 ATOM 1063 C CG . ARG A 1 136 ? -3.414 5.962 20.087 1.00 14.00 ? 134 ARG A CG 1 ATOM 1064 C CD . ARG A 1 136 ? -3.136 6.336 21.550 1.00 16.34 ? 134 ARG A CD 1 ATOM 1065 N NE . ARG A 1 136 ? -4.374 6.468 22.311 1.00 15.83 ? 134 ARG A NE 1 ATOM 1066 C CZ . ARG A 1 136 ? -5.015 7.623 22.510 1.00 18.25 ? 134 ARG A CZ 1 ATOM 1067 N NH1 . ARG A 1 136 ? -4.543 8.768 22.021 1.00 19.15 ? 134 ARG A NH1 1 ATOM 1068 N NH2 . ARG A 1 136 ? -6.125 7.632 23.220 1.00 18.86 ? 134 ARG A NH2 1 ATOM 1069 N N . LEU A 1 137 ? -5.700 2.192 18.594 1.00 12.51 ? 135 LEU A N 1 ATOM 1070 C CA . LEU A 1 137 ? -6.164 0.799 18.567 1.00 13.82 ? 135 LEU A CA 1 ATOM 1071 C C . LEU A 1 137 ? -6.076 0.179 17.185 1.00 13.00 ? 135 LEU A C 1 ATOM 1072 O O . LEU A 1 137 ? -5.795 -1.020 17.040 1.00 14.33 ? 135 LEU A O 1 ATOM 1073 C CB . LEU A 1 137 ? -7.602 0.700 19.089 1.00 13.68 ? 135 LEU A CB 1 ATOM 1074 C CG . LEU A 1 137 ? -7.857 1.077 20.555 1.00 16.03 ? 135 LEU A CG 1 ATOM 1075 C CD1 . LEU A 1 137 ? -9.328 0.953 20.842 1.00 16.60 ? 135 LEU A CD1 1 ATOM 1076 C CD2 . LEU A 1 137 ? -7.061 0.236 21.550 1.00 19.67 ? 135 LEU A CD2 1 ATOM 1077 N N . PHE A 1 138 ? -6.342 0.983 16.166 1.00 12.87 ? 136 PHE A N 1 ATOM 1078 C CA . PHE A 1 138 ? -6.276 0.537 14.770 1.00 12.19 ? 136 PHE A CA 1 ATOM 1079 C C . PHE A 1 138 ? -5.257 1.350 13.977 1.00 12.66 ? 136 PHE A C 1 ATOM 1080 O O . PHE A 1 138 ? -5.642 2.041 13.022 1.00 11.88 ? 136 PHE A O 1 ATOM 1081 C CB . PHE A 1 138 ? -7.635 0.694 14.067 1.00 12.30 ? 136 PHE A CB 1 ATOM 1082 C CG . PHE A 1 138 ? -8.707 -0.188 14.602 1.00 13.18 ? 136 PHE A CG 1 ATOM 1083 C CD1 . PHE A 1 138 ? -9.486 0.223 15.679 1.00 12.67 ? 136 PHE A CD1 1 ATOM 1084 C CD2 . PHE A 1 138 ? -8.987 -1.410 13.981 1.00 14.03 ? 136 PHE A CD2 1 ATOM 1085 C CE1 . PHE A 1 138 ? -10.517 -0.588 16.162 1.00 13.47 ? 136 PHE A CE1 1 ATOM 1086 C CE2 . PHE A 1 138 ? -9.999 -2.232 14.456 1.00 12.08 ? 136 PHE A CE2 1 ATOM 1087 C CZ . PHE A 1 138 ? -10.769 -1.817 15.547 1.00 12.36 ? 136 PHE A CZ 1 ATOM 1088 N N . PRO A 1 139 ? -3.952 1.224 14.316 1.00 13.34 ? 137 PRO A N 1 ATOM 1089 C CA . PRO A 1 139 ? -2.938 2.027 13.628 1.00 14.15 ? 137 PRO A CA 1 ATOM 1090 C C . PRO A 1 139 ? -2.844 1.736 12.130 1.00 15.01 ? 137 PRO A C 1 ATOM 1091 O O . PRO A 1 139 ? -2.380 2.601 11.376 1.00 14.89 ? 137 PRO A O 1 ATOM 1092 C CB . PRO A 1 139 ? -1.629 1.647 14.344 1.00 14.17 ? 137 PRO A CB 1 ATOM 1093 C CG . PRO A 1 139 ? -1.881 0.315 14.924 1.00 13.71 ? 137 PRO A CG 1 ATOM 1094 C CD . PRO A 1 139 ? -3.342 0.321 15.305 1.00 13.83 ? 137 PRO A CD 1 ATOM 1095 N N . GLU A 1 140 ? -3.284 0.550 11.705 1.00 16.38 ? 138 GLU A N 1 ATOM 1096 C CA . GLU A 1 140 ? -3.285 0.225 10.272 1.00 17.61 ? 138 GLU A CA 1 ATOM 1097 C C . GLU A 1 140 ? -4.250 1.087 9.457 1.00 17.51 ? 138 GLU A C 1 ATOM 1098 O O . GLU A 1 140 ? -4.168 1.103 8.233 1.00 17.60 ? 138 GLU A O 1 ATOM 1099 C CB . GLU A 1 140 ? -3.559 -1.260 10.012 1.00 18.52 ? 138 GLU A CB 1 ATOM 1100 C CG . GLU A 1 140 ? -5.026 -1.665 9.945 1.00 22.92 ? 138 GLU A CG 1 ATOM 1101 C CD . GLU A 1 140 ? -5.539 -2.209 11.232 1.00 29.23 ? 138 GLU A CD 1 ATOM 1102 O OE1 . GLU A 1 140 ? -5.196 -1.621 12.287 1.00 32.26 ? 138 GLU A OE1 1 ATOM 1103 O OE2 . GLU A 1 140 ? -6.287 -3.222 11.197 1.00 29.97 ? 138 GLU A OE2 1 ATOM 1104 N N . TYR A 1 141 ? -5.157 1.787 10.142 1.00 17.35 ? 139 TYR A N 1 ATOM 1105 C CA . TYR A 1 141 ? -6.132 2.663 9.476 1.00 17.04 ? 139 TYR A CA 1 ATOM 1106 C C . TYR A 1 141 ? -5.813 4.154 9.586 1.00 17.39 ? 139 TYR A C 1 ATOM 1107 O O . TYR A 1 141 ? -6.606 5.004 9.153 1.00 16.38 ? 139 TYR A O 1 ATOM 1108 C CB . TYR A 1 141 ? -7.536 2.368 10.018 1.00 16.97 ? 139 TYR A CB 1 ATOM 1109 C CG . TYR A 1 141 ? -8.123 1.097 9.465 1.00 17.04 ? 139 TYR A CG 1 ATOM 1110 C CD1 . TYR A 1 141 ? -8.418 0.982 8.109 1.00 18.67 ? 139 TYR A CD1 1 ATOM 1111 C CD2 . TYR A 1 141 ? -8.403 0.005 10.294 1.00 17.12 ? 139 TYR A CD2 1 ATOM 1112 C CE1 . TYR A 1 141 ? -8.963 -0.192 7.594 1.00 19.27 ? 139 TYR A CE1 1 ATOM 1113 C CE2 . TYR A 1 141 ? -8.944 -1.163 9.777 1.00 17.25 ? 139 TYR A CE2 1 ATOM 1114 C CZ . TYR A 1 141 ? -9.218 -1.248 8.429 1.00 18.03 ? 139 TYR A CZ 1 ATOM 1115 O OH . TYR A 1 141 ? -9.748 -2.396 7.898 1.00 18.92 ? 139 TYR A OH 1 ATOM 1116 N N . LYS A 1 142 ? -4.647 4.467 10.155 1.00 17.73 ? 140 LYS A N 1 ATOM 1117 C CA . LYS A 1 142 ? -4.199 5.855 10.330 1.00 18.83 ? 140 LYS A CA 1 ATOM 1118 C C . LYS A 1 142 ? -4.058 6.626 9.020 1.00 18.64 ? 140 LYS A C 1 ATOM 1119 O O . LYS A 1 142 ? -4.263 7.828 8.987 1.00 19.12 ? 140 LYS A O 1 ATOM 1120 C CB . LYS A 1 142 ? -2.870 5.906 11.099 1.00 19.26 ? 140 LYS A CB 1 ATOM 1121 C CG . LYS A 1 142 ? -3.040 5.933 12.590 1.00 22.36 ? 140 LYS A CG 1 ATOM 1122 C CD . LYS A 1 142 ? -1.725 5.637 13.333 1.00 27.34 ? 140 LYS A CD 1 ATOM 1123 C CE . LYS A 1 142 ? -1.970 5.425 14.838 1.00 28.15 ? 140 LYS A CE 1 ATOM 1124 N NZ . LYS A 1 142 ? -2.066 6.722 15.629 1.00 32.11 ? 140 LYS A NZ 1 ATOM 1125 N N . ASN A 1 143 ? -3.708 5.952 7.935 1.00 18.71 ? 141 ASN A N 1 ATOM 1126 C CA . ASN A 1 143 ? -3.518 6.674 6.689 1.00 18.70 ? 141 ASN A CA 1 ATOM 1127 C C . ASN A 1 143 ? -4.705 6.652 5.706 1.00 17.63 ? 141 ASN A C 1 ATOM 1128 O O . ASN A 1 143 ? -4.705 7.371 4.712 1.00 17.26 ? 141 ASN A O 1 ATOM 1129 C CB . ASN A 1 143 ? -2.208 6.247 6.036 1.00 20.16 ? 141 ASN A CB 1 ATOM 1130 C CG . ASN A 1 143 ? -1.005 6.578 6.909 1.00 22.11 ? 141 ASN A CG 1 ATOM 1131 O OD1 . ASN A 1 143 ? -0.039 5.820 6.959 1.00 28.21 ? 141 ASN A OD1 1 ATOM 1132 N ND2 . ASN A 1 143 ? -1.070 7.710 7.616 1.00 23.45 ? 141 ASN A ND2 1 ATOM 1133 N N . ASN A 1 144 ? -5.727 5.861 6.020 1.00 15.58 ? 142 ASN A N 1 ATOM 1134 C CA . ASN A 1 144 ? -6.916 5.775 5.161 1.00 14.25 ? 142 ASN A CA 1 ATOM 1135 C C . ASN A 1 144 ? -7.624 7.116 5.113 1.00 12.72 ? 142 ASN A C 1 ATOM 1136 O O . ASN A 1 144 ? -7.562 7.892 6.066 1.00 12.38 ? 142 ASN A O 1 ATOM 1137 C CB . ASN A 1 144 ? -7.891 4.696 5.651 1.00 13.94 ? 142 ASN A CB 1 ATOM 1138 C CG . ASN A 1 144 ? -7.352 3.285 5.485 1.00 15.19 ? 142 ASN A CG 1 ATOM 1139 O OD1 . ASN A 1 144 ? -8.004 2.414 4.889 1.00 15.57 ? 142 ASN A OD1 1 ATOM 1140 N ND2 . ASN A 1 144 ? -6.175 3.046 6.020 1.00 11.34 ? 142 ASN A ND2 1 ATOM 1141 N N . LYS A 1 145 ? -8.272 7.394 3.991 1.00 11.92 ? 143 LYS A N 1 ATOM 1142 C CA . LYS A 1 145 ? -9.123 8.581 3.870 1.00 11.35 ? 143 LYS A CA 1 ATOM 1143 C C . LYS A 1 145 ? -10.193 8.561 4.981 1.00 10.92 ? 143 LYS A C 1 ATOM 1144 O O . LYS A 1 145 ? -10.804 7.532 5.249 1.00 10.58 ? 143 LYS A O 1 ATOM 1145 C CB . LYS A 1 145 ? -9.784 8.579 2.492 1.00 11.56 ? 143 LYS A CB 1 ATOM 1146 C CG . LYS A 1 145 ? -8.794 8.836 1.366 1.00 12.69 ? 143 LYS A CG 1 ATOM 1147 C CD . LYS A 1 145 ? -9.496 8.760 0.010 1.00 17.88 ? 143 LYS A CD 1 ATOM 1148 C CE . LYS A 1 145 ? -8.799 9.622 -1.008 1.00 22.82 ? 143 LYS A CE 1 ATOM 1149 N NZ . LYS A 1 145 ? -7.733 8.932 -1.760 1.00 24.41 ? 143 LYS A NZ 1 ATOM 1150 N N . LEU A 1 146 ? -10.397 9.693 5.637 1.00 10.69 ? 144 LEU A N 1 ATOM 1151 C CA . LEU A 1 146 ? -11.332 9.760 6.742 1.00 9.98 ? 144 LEU A CA 1 ATOM 1152 C C . LEU A 1 146 ? -12.503 10.665 6.394 1.00 10.24 ? 144 LEU A C 1 ATOM 1153 O O . LEU A 1 146 ? -12.316 11.822 5.966 1.00 11.35 ? 144 LEU A O 1 ATOM 1154 C CB . LEU A 1 146 ? -10.612 10.254 8.013 1.00 10.52 ? 144 LEU A CB 1 ATOM 1155 C CG . LEU A 1 146 ? -11.476 10.543 9.248 1.00 9.82 ? 144 LEU A CG 1 ATOM 1156 C CD1 . LEU A 1 146 ? -12.106 9.278 9.830 1.00 7.14 ? 144 LEU A CD1 1 ATOM 1157 C CD2 . LEU A 1 146 ? -10.634 11.234 10.305 1.00 10.05 ? 144 LEU A CD2 1 ATOM 1158 N N . PHE A 1 147 ? -13.714 10.140 6.563 1.00 9.89 ? 145 PHE A N 1 ATOM 1159 C CA . PHE A 1 147 ? -14.920 10.964 6.424 1.00 9.60 ? 145 PHE A CA 1 ATOM 1160 C C . PHE A 1 147 ? -15.696 10.973 7.737 1.00 9.21 ? 145 PHE A C 1 ATOM 1161 O O . PHE A 1 147 ? -15.732 9.965 8.442 1.00 9.67 ? 145 PHE A O 1 ATOM 1162 C CB . PHE A 1 147 ? -15.791 10.491 5.246 1.00 9.24 ? 145 PHE A CB 1 ATOM 1163 C CG . PHE A 1 147 ? -15.083 10.555 3.902 1.00 10.65 ? 145 PHE A CG 1 ATOM 1164 C CD1 . PHE A 1 147 ? -14.190 9.549 3.518 1.00 7.71 ? 145 PHE A CD1 1 ATOM 1165 C CD2 . PHE A 1 147 ? -15.306 11.627 3.041 1.00 11.73 ? 145 PHE A CD2 1 ATOM 1166 C CE1 . PHE A 1 147 ? -13.526 9.612 2.257 1.00 11.70 ? 145 PHE A CE1 1 ATOM 1167 C CE2 . PHE A 1 147 ? -14.666 11.708 1.798 1.00 12.89 ? 145 PHE A CE2 1 ATOM 1168 C CZ . PHE A 1 147 ? -13.775 10.684 1.404 1.00 11.92 ? 145 PHE A CZ 1 ATOM 1169 N N . LEU A 1 148 ? -16.266 12.127 8.084 1.00 8.52 ? 146 LEU A N 1 ATOM 1170 C CA . LEU A 1 148 ? -17.071 12.252 9.308 1.00 8.70 ? 146 LEU A CA 1 ATOM 1171 C C . LEU A 1 148 ? -18.512 12.468 8.886 1.00 8.64 ? 146 LEU A C 1 ATOM 1172 O O . LEU A 1 148 ? -18.803 13.397 8.129 1.00 8.29 ? 146 LEU A O 1 ATOM 1173 C CB . LEU A 1 148 ? -16.582 13.431 10.159 1.00 9.27 ? 146 LEU A CB 1 ATOM 1174 C CG . LEU A 1 148 ? -15.075 13.438 10.451 1.00 8.75 ? 146 LEU A CG 1 ATOM 1175 C CD1 . LEU A 1 148 ? -14.679 14.763 11.072 1.00 9.63 ? 146 LEU A CD1 1 ATOM 1176 C CD2 . LEU A 1 148 ? -14.694 12.268 11.347 1.00 12.38 ? 146 LEU A CD2 1 ATOM 1177 N N . THR A 1 149 ? -19.404 11.589 9.335 1.00 8.50 ? 147 THR A N 1 ATOM 1178 C CA . THR A 1 149 ? -20.793 11.618 8.851 1.00 8.07 ? 147 THR A CA 1 ATOM 1179 C C . THR A 1 149 ? -21.772 11.442 10.004 1.00 7.40 ? 147 THR A C 1 ATOM 1180 O O . THR A 1 149 ? -21.429 10.896 11.045 1.00 7.91 ? 147 THR A O 1 ATOM 1181 C CB . THR A 1 149 ? -21.102 10.565 7.745 1.00 8.07 ? 147 THR A CB 1 ATOM 1182 O OG1 . THR A 1 149 ? -21.142 9.242 8.290 1.00 7.81 ? 147 THR A OG1 1 ATOM 1183 C CG2 . THR A 1 149 ? -20.079 10.608 6.573 1.00 7.98 ? 147 THR A CG2 1 ATOM 1184 N N . GLY A 1 150 ? -22.996 11.894 9.798 1.00 6.70 ? 148 GLY A N 1 ATOM 1185 C CA . GLY A 1 150 ? -24.005 11.780 10.842 1.00 6.23 ? 148 GLY A CA 1 ATOM 1186 C C . GLY A 1 150 ? -25.352 12.358 10.487 1.00 6.90 ? 148 GLY A C 1 ATOM 1187 O O . GLY A 1 150 ? -25.558 12.866 9.389 1.00 7.71 ? 148 GLY A O 1 ATOM 1188 N N . GLU A 1 151 ? -26.271 12.304 11.450 1.00 6.98 ? 149 GLU A N 1 ATOM 1189 C CA . GLU A 1 151 ? -27.662 12.660 11.203 1.00 7.07 ? 149 GLU A CA 1 ATOM 1190 C C . GLU A 1 151 ? -28.249 13.613 12.230 1.00 6.73 ? 149 GLU A C 1 ATOM 1191 O O . GLU A 1 151 ? -28.011 13.470 13.436 1.00 6.21 ? 149 GLU A O 1 ATOM 1192 C CB . GLU A 1 151 ? -28.480 11.369 11.206 1.00 7.00 ? 149 GLU A CB 1 ATOM 1193 C CG . GLU A 1 151 ? -29.940 11.483 10.818 1.00 9.13 ? 149 GLU A CG 1 ATOM 1194 C CD . GLU A 1 151 ? -30.563 10.103 10.734 1.00 10.85 ? 149 GLU A CD 1 ATOM 1195 O OE1 . GLU A 1 151 ? -30.320 9.421 9.709 1.00 9.15 ? 149 GLU A OE1 1 ATOM 1196 O OE2 . GLU A 1 151 ? -31.291 9.710 11.691 1.00 8.88 ? 149 GLU A OE2 1 ATOM 1197 N N . SER A 1 152 ? -29.053 14.552 11.736 1.00 7.31 ? 150 SER A N 1 ATOM 1198 C CA . SER A 1 152 ? -29.886 15.451 12.557 1.00 7.74 ? 150 SER A CA 1 ATOM 1199 C C . SER A 1 152 ? -29.091 16.267 13.571 1.00 8.37 ? 150 SER A C 1 ATOM 1200 O O . SER A 1 152 ? -28.367 17.177 13.170 1.00 9.23 ? 150 SER A O 1 ATOM 1201 C CB . SER A 1 152 ? -30.995 14.676 13.246 1.00 7.69 ? 150 SER A CB 1 ATOM 1202 O OG . SER A 1 152 ? -31.990 15.570 13.746 1.00 10.10 ? 150 SER A OG 1 ATOM 1203 N N . TYR A 1 153 ? -29.196 15.954 14.868 1.00 8.27 ? 151 TYR A N 1 ATOM 1204 C CA . TYR A 1 153 ? -28.374 16.692 15.840 1.00 8.46 ? 151 TYR A CA 1 ATOM 1205 C C . TYR A 1 153 ? -26.874 16.548 15.559 1.00 8.68 ? 151 TYR A C 1 ATOM 1206 O O . TYR A 1 153 ? -26.093 17.431 15.899 1.00 8.39 ? 151 TYR A O 1 ATOM 1207 C CB . TYR A 1 153 ? -28.721 16.437 17.340 1.00 8.61 ? 151 TYR A CB 1 ATOM 1208 C CG . TYR A 1 153 ? -28.160 17.605 18.169 1.00 8.14 ? 151 TYR A CG 1 ATOM 1209 C CD1 . TYR A 1 153 ? -28.868 18.810 18.267 1.00 8.59 ? 151 TYR A CD1 1 ATOM 1210 C CD2 . TYR A 1 153 ? -26.892 17.532 18.773 1.00 8.68 ? 151 TYR A CD2 1 ATOM 1211 C CE1 . TYR A 1 153 ? -28.345 19.913 18.960 1.00 8.79 ? 151 TYR A CE1 1 ATOM 1212 C CE2 . TYR A 1 153 ? -26.357 18.625 19.471 1.00 8.08 ? 151 TYR A CE2 1 ATOM 1213 C CZ . TYR A 1 153 ? -27.103 19.814 19.554 1.00 7.58 ? 151 TYR A CZ 1 ATOM 1214 O OH . TYR A 1 153 ? -26.601 20.926 20.208 1.00 7.42 ? 151 TYR A OH 1 ATOM 1215 N N . ALA A 1 154 ? -26.460 15.459 14.907 1.00 8.98 ? 152 ALA A N 1 ATOM 1216 C CA . ALA A 1 154 ? -25.061 15.355 14.500 1.00 8.22 ? 152 ALA A CA 1 ATOM 1217 C C . ALA A 1 154 ? -24.664 16.384 13.439 1.00 8.45 ? 152 ALA A C 1 ATOM 1218 O O . ALA A 1 154 ? -23.480 16.476 13.070 1.00 8.06 ? 152 ALA A O 1 ATOM 1219 C CB . ALA A 1 154 ? -24.712 13.950 14.092 1.00 7.43 ? 152 ALA A CB 1 ATOM 1220 N N . GLY A 1 155 ? -25.663 17.124 12.940 1.00 8.21 ? 153 GLY A N 1 ATOM 1221 C CA . GLY A 1 155 ? -25.449 18.380 12.192 1.00 8.09 ? 153 GLY A CA 1 ATOM 1222 C C . GLY A 1 155 ? -24.646 19.429 12.956 1.00 8.43 ? 153 GLY A C 1 ATOM 1223 O O . GLY A 1 155 ? -23.989 20.288 12.358 1.00 7.43 ? 153 GLY A O 1 ATOM 1224 N N . ILE A 1 156 ? -24.692 19.333 14.279 1.00 8.51 ? 154 ILE A N 1 ATOM 1225 C CA . ILE A 1 156 ? -23.828 20.093 15.177 1.00 9.03 ? 154 ILE A CA 1 ATOM 1226 C C . ILE A 1 156 ? -22.574 19.292 15.545 1.00 8.93 ? 154 ILE A C 1 ATOM 1227 O O . ILE A 1 156 ? -21.459 19.824 15.508 1.00 9.66 ? 154 ILE A O 1 ATOM 1228 C CB . ILE A 1 156 ? -24.628 20.524 16.454 1.00 9.31 ? 154 ILE A CB 1 ATOM 1229 C CG1 . ILE A 1 156 ? -25.897 21.317 16.072 1.00 11.24 ? 154 ILE A CG1 1 ATOM 1230 C CG2 . ILE A 1 156 ? -23.746 21.279 17.482 1.00 9.24 ? 154 ILE A CG2 1 ATOM 1231 C CD1 . ILE A 1 156 ? -25.642 22.676 15.464 1.00 12.63 ? 154 ILE A CD1 1 ATOM 1232 N N . TYR A 1 157 ? -22.745 18.016 15.905 1.00 9.18 ? 155 TYR A N 1 ATOM 1233 C CA . TYR A 1 157 ? -21.612 17.166 16.283 1.00 8.13 ? 155 TYR A CA 1 ATOM 1234 C C . TYR A 1 157 ? -20.503 17.125 15.235 1.00 8.80 ? 155 TYR A C 1 ATOM 1235 O O . TYR A 1 157 ? -19.329 17.204 15.560 1.00 7.71 ? 155 TYR A O 1 ATOM 1236 C CB . TYR A 1 157 ? -22.051 15.725 16.472 1.00 9.05 ? 155 TYR A CB 1 ATOM 1237 C CG . TYR A 1 157 ? -22.959 15.430 17.639 1.00 6.81 ? 155 TYR A CG 1 ATOM 1238 C CD1 . TYR A 1 157 ? -23.038 16.280 18.734 1.00 7.44 ? 155 TYR A CD1 1 ATOM 1239 C CD2 . TYR A 1 157 ? -23.713 14.258 17.649 1.00 6.85 ? 155 TYR A CD2 1 ATOM 1240 C CE1 . TYR A 1 157 ? -23.874 15.970 19.839 1.00 8.66 ? 155 TYR A CE1 1 ATOM 1241 C CE2 . TYR A 1 157 ? -24.548 13.941 18.717 1.00 6.64 ? 155 TYR A CE2 1 ATOM 1242 C CZ . TYR A 1 157 ? -24.632 14.810 19.808 1.00 8.62 ? 155 TYR A CZ 1 ATOM 1243 O OH . TYR A 1 157 ? -25.445 14.488 20.884 1.00 9.14 ? 155 TYR A OH 1 ATOM 1244 N N . ILE A 1 158 ? -20.899 16.975 13.979 1.00 7.73 ? 156 ILE A N 1 ATOM 1245 C CA . ILE A 1 158 ? -19.941 16.661 12.922 1.00 7.75 ? 156 ILE A CA 1 ATOM 1246 C C . ILE A 1 158 ? -19.121 17.880 12.473 1.00 8.13 ? 156 ILE A C 1 ATOM 1247 O O . ILE A 1 158 ? -17.901 17.779 12.368 1.00 8.84 ? 156 ILE A O 1 ATOM 1248 C CB . ILE A 1 158 ? -20.648 15.893 11.740 1.00 8.32 ? 156 ILE A CB 1 ATOM 1249 C CG1 . ILE A 1 158 ? -21.049 14.479 12.204 1.00 7.20 ? 156 ILE A CG1 1 ATOM 1250 C CG2 . ILE A 1 158 ? -19.774 15.886 10.416 1.00 7.18 ? 156 ILE A CG2 1 ATOM 1251 C CD1 . ILE A 1 158 ? -19.898 13.532 12.485 1.00 8.82 ? 156 ILE A CD1 1 ATOM 1252 N N . PRO A 1 159 ? -19.773 19.017 12.141 1.00 8.35 ? 157 PRO A N 1 ATOM 1253 C CA . PRO A 1 159 ? -18.938 20.198 11.850 1.00 7.87 ? 157 PRO A CA 1 ATOM 1254 C C . PRO A 1 159 ? -18.060 20.679 13.001 1.00 8.32 ? 157 PRO A C 1 ATOM 1255 O O . PRO A 1 159 ? -16.930 21.121 12.767 1.00 8.44 ? 157 PRO A O 1 ATOM 1256 C CB . PRO A 1 159 ? -19.957 21.267 11.455 1.00 7.80 ? 157 PRO A CB 1 ATOM 1257 C CG . PRO A 1 159 ? -21.145 20.479 10.975 1.00 7.69 ? 157 PRO A CG 1 ATOM 1258 C CD . PRO A 1 159 ? -21.195 19.265 11.848 1.00 7.55 ? 157 PRO A CD 1 ATOM 1259 N N . THR A 1 160 ? -18.548 20.612 14.233 1.00 7.88 ? 158 THR A N 1 ATOM 1260 C CA . THR A 1 160 ? -17.684 20.981 15.368 1.00 8.58 ? 158 THR A CA 1 ATOM 1261 C C . THR A 1 160 ? -16.514 19.989 15.563 1.00 8.56 ? 158 THR A C 1 ATOM 1262 O O . THR A 1 160 ? -15.382 20.389 15.846 1.00 8.43 ? 158 THR A O 1 ATOM 1263 C CB . THR A 1 160 ? -18.485 21.138 16.671 1.00 8.02 ? 158 THR A CB 1 ATOM 1264 O OG1 . THR A 1 160 ? -19.202 19.918 16.978 1.00 9.39 ? 158 THR A OG1 1 ATOM 1265 C CG2 . THR A 1 160 ? -19.473 22.319 16.522 1.00 8.22 ? 158 THR A CG2 1 ATOM 1266 N N . LEU A 1 161 ? -16.786 18.701 15.398 1.00 7.99 ? 159 LEU A N 1 ATOM 1267 C CA . LEU A 1 161 ? -15.705 17.717 15.441 1.00 7.93 ? 159 LEU A CA 1 ATOM 1268 C C . LEU A 1 161 ? -14.748 17.926 14.273 1.00 7.84 ? 159 LEU A C 1 ATOM 1269 O O . LEU A 1 161 ? -13.548 17.860 14.448 1.00 9.32 ? 159 LEU A O 1 ATOM 1270 C CB . LEU A 1 161 ? -16.248 16.280 15.381 1.00 7.83 ? 159 LEU A CB 1 ATOM 1271 C CG . LEU A 1 161 ? -15.232 15.121 15.285 1.00 7.53 ? 159 LEU A CG 1 ATOM 1272 C CD1 . LEU A 1 161 ? -14.250 15.109 16.484 1.00 8.16 ? 159 LEU A CD1 1 ATOM 1273 C CD2 . LEU A 1 161 ? -15.962 13.794 15.200 1.00 7.88 ? 159 LEU A CD2 1 ATOM 1274 N N . ALA A 1 162 ? -15.283 18.152 13.078 1.00 8.86 ? 160 ALA A N 1 ATOM 1275 C CA . ALA A 1 162 ? -14.432 18.320 11.891 1.00 8.59 ? 160 ALA A CA 1 ATOM 1276 C C . ALA A 1 162 ? -13.435 19.467 12.075 1.00 9.73 ? 160 ALA A C 1 ATOM 1277 O O . ALA A 1 162 ? -12.283 19.389 11.618 1.00 10.73 ? 160 ALA A O 1 ATOM 1278 C CB . ALA A 1 162 ? -15.300 18.543 10.649 1.00 9.72 ? 160 ALA A CB 1 ATOM 1279 N N . VAL A 1 163 ? -13.885 20.527 12.735 1.00 9.92 ? 161 VAL A N 1 ATOM 1280 C CA . VAL A 1 163 ? -13.031 21.689 13.043 1.00 10.74 ? 161 VAL A CA 1 ATOM 1281 C C . VAL A 1 163 ? -11.825 21.326 13.930 1.00 11.11 ? 161 VAL A C 1 ATOM 1282 O O . VAL A 1 163 ? -10.709 21.804 13.702 1.00 12.06 ? 161 VAL A O 1 ATOM 1283 C CB . VAL A 1 163 ? -13.861 22.884 13.577 1.00 10.68 ? 161 VAL A CB 1 ATOM 1284 C CG1 . VAL A 1 163 ? -12.963 23.907 14.195 1.00 12.10 ? 161 VAL A CG1 1 ATOM 1285 C CG2 . VAL A 1 163 ? -14.691 23.528 12.409 1.00 10.18 ? 161 VAL A CG2 1 ATOM 1286 N N . LEU A 1 164 ? -12.034 20.440 14.900 1.00 11.27 ? 162 LEU A N 1 ATOM 1287 C CA . LEU A 1 164 ? -10.913 19.875 15.677 1.00 11.11 ? 162 LEU A CA 1 ATOM 1288 C C . LEU A 1 164 ? -10.008 18.972 14.823 1.00 11.96 ? 162 LEU A C 1 ATOM 1289 O O . LEU A 1 164 ? -8.763 19.085 14.843 1.00 12.41 ? 162 LEU A O 1 ATOM 1290 C CB . LEU A 1 164 ? -11.436 19.124 16.911 1.00 11.47 ? 162 LEU A CB 1 ATOM 1291 C CG . LEU A 1 164 ? -12.354 19.958 17.830 1.00 10.03 ? 162 LEU A CG 1 ATOM 1292 C CD1 . LEU A 1 164 ? -12.754 19.177 19.091 1.00 9.28 ? 162 LEU A CD1 1 ATOM 1293 C CD2 . LEU A 1 164 ? -11.709 21.293 18.232 1.00 11.06 ? 162 LEU A CD2 1 ATOM 1294 N N . VAL A 1 165 ? -10.627 18.098 14.045 1.00 11.66 ? 163 VAL A N 1 ATOM 1295 C CA . VAL A 1 165 ? -9.891 17.113 13.259 1.00 12.36 ? 163 VAL A CA 1 ATOM 1296 C C . VAL A 1 165 ? -8.999 17.791 12.209 1.00 12.93 ? 163 VAL A C 1 ATOM 1297 O O . VAL A 1 165 ? -7.875 17.347 11.977 1.00 13.37 ? 163 VAL A O 1 ATOM 1298 C CB . VAL A 1 165 ? -10.845 16.040 12.635 1.00 11.03 ? 163 VAL A CB 1 ATOM 1299 C CG1 . VAL A 1 165 ? -10.123 15.165 11.595 1.00 12.40 ? 163 VAL A CG1 1 ATOM 1300 C CG2 . VAL A 1 165 ? -11.392 15.139 13.743 1.00 12.22 ? 163 VAL A CG2 1 ATOM 1301 N N . MET A 1 166 ? -9.483 18.880 11.618 1.00 14.28 ? 164 MET A N 1 ATOM 1302 C CA . MET A 1 166 ? -8.715 19.594 10.572 1.00 17.50 ? 164 MET A CA 1 ATOM 1303 C C . MET A 1 166 ? -7.389 20.162 11.093 1.00 17.47 ? 164 MET A C 1 ATOM 1304 O O . MET A 1 166 ? -6.458 20.412 10.318 1.00 17.53 ? 164 MET A O 1 ATOM 1305 C CB . MET A 1 166 ? -9.558 20.695 9.910 1.00 17.19 ? 164 MET A CB 1 ATOM 1306 C CG . MET A 1 166 ? -9.606 22.037 10.642 1.00 19.40 ? 164 MET A CG 1 ATOM 1307 S SD . MET A 1 166 ? -10.645 23.259 9.768 1.00 21.91 ? 164 MET A SD 1 ATOM 1308 C CE . MET A 1 166 ? -9.639 23.600 8.359 1.00 18.96 ? 164 MET A CE 1 ATOM 1309 N N . GLN A 1 167 ? -7.322 20.351 12.403 1.00 18.40 ? 165 GLN A N 1 ATOM 1310 C CA . GLN A 1 167 ? -6.118 20.856 13.086 1.00 19.80 ? 165 GLN A CA 1 ATOM 1311 C C . GLN A 1 167 ? -5.119 19.744 13.411 1.00 19.96 ? 165 GLN A C 1 ATOM 1312 O O . GLN A 1 167 ? -4.000 20.025 13.867 1.00 20.00 ? 165 GLN A O 1 ATOM 1313 C CB . GLN A 1 167 ? -6.507 21.588 14.373 1.00 19.95 ? 165 GLN A CB 1 ATOM 1314 C CG . GLN A 1 167 ? -7.387 22.801 14.148 1.00 22.58 ? 165 GLN A CG 1 ATOM 1315 C CD . GLN A 1 167 ? -7.865 23.401 15.449 1.00 27.83 ? 165 GLN A CD 1 ATOM 1316 O OE1 . GLN A 1 167 ? -7.061 23.875 16.265 1.00 30.21 ? 165 GLN A OE1 1 ATOM 1317 N NE2 . GLN A 1 167 ? -9.181 23.393 15.656 1.00 27.89 ? 165 GLN A NE2 1 ATOM 1318 N N . ASP A 1 168 ? -5.513 18.492 13.168 1.00 19.75 ? 166 ASP A N 1 ATOM 1319 C CA . ASP A 1 168 ? -4.660 17.327 13.434 1.00 20.28 ? 166 ASP A CA 1 ATOM 1320 C C . ASP A 1 168 ? -4.171 16.695 12.125 1.00 20.84 ? 166 ASP A C 1 ATOM 1321 O O . ASP A 1 168 ? -4.887 15.889 11.513 1.00 20.05 ? 166 ASP A O 1 ATOM 1322 C CB . ASP A 1 168 ? -5.419 16.295 14.271 1.00 20.20 ? 166 ASP A CB 1 ATOM 1323 C CG . ASP A 1 168 ? -4.530 15.157 14.782 1.00 20.86 ? 166 ASP A CG 1 ATOM 1324 O OD1 . ASP A 1 168 ? -3.341 15.058 14.397 1.00 19.27 ? 166 ASP A OD1 1 ATOM 1325 O OD2 . ASP A 1 168 ? -5.044 14.346 15.582 1.00 20.94 ? 166 ASP A OD2 1 ATOM 1326 N N . PRO A 1 169 ? -2.924 17.013 11.716 1.00 21.64 ? 167 PRO A N 1 ATOM 1327 C CA . PRO A 1 169 ? -2.450 16.568 10.410 1.00 21.59 ? 167 PRO A CA 1 ATOM 1328 C C . PRO A 1 169 ? -2.251 15.053 10.323 1.00 21.91 ? 167 PRO A C 1 ATOM 1329 O O . PRO A 1 169 ? -2.151 14.514 9.219 1.00 22.51 ? 167 PRO A O 1 ATOM 1330 C CB . PRO A 1 169 ? -1.126 17.317 10.247 1.00 21.87 ? 167 PRO A CB 1 ATOM 1331 C CG . PRO A 1 169 ? -0.643 17.536 11.626 1.00 22.16 ? 167 PRO A CG 1 ATOM 1332 C CD . PRO A 1 169 ? -1.883 17.758 12.454 1.00 21.88 ? 167 PRO A CD 1 ATOM 1333 N N . SER A 1 170 ? -2.201 14.382 11.469 1.00 21.15 ? 168 SER A N 1 ATOM 1334 C CA . SER A 1 170 ? -2.093 12.924 11.509 1.00 20.79 ? 168 SER A CA 1 ATOM 1335 C C . SER A 1 170 ? -3.386 12.228 11.042 1.00 19.73 ? 168 SER A C 1 ATOM 1336 O O . SER A 1 170 ? -3.360 11.041 10.694 1.00 19.80 ? 168 SER A O 1 ATOM 1337 C CB . SER A 1 170 ? -1.752 12.445 12.913 1.00 20.69 ? 168 SER A CB 1 ATOM 1338 O OG . SER A 1 170 ? -2.906 12.433 13.742 1.00 24.15 ? 168 SER A OG 1 ATOM 1339 N N . MET A 1 171 ? -4.498 12.962 11.047 1.00 17.73 ? 169 MET A N 1 ATOM 1340 C CA . MET A 1 171 ? -5.778 12.416 10.560 1.00 16.34 ? 169 MET A CA 1 ATOM 1341 C C . MET A 1 171 ? -6.018 12.799 9.109 1.00 15.24 ? 169 MET A C 1 ATOM 1342 O O . MET A 1 171 ? -5.961 13.975 8.765 1.00 16.05 ? 169 MET A O 1 ATOM 1343 C CB . MET A 1 171 ? -6.942 12.883 11.452 1.00 15.69 ? 169 MET A CB 1 ATOM 1344 C CG . MET A 1 171 ? -6.841 12.344 12.875 1.00 15.46 ? 169 MET A CG 1 ATOM 1345 S SD . MET A 1 171 ? -8.320 12.722 13.825 1.00 15.90 ? 169 MET A SD 1 ATOM 1346 C CE . MET A 1 171 ? -7.865 12.140 15.460 1.00 15.18 ? 169 MET A CE 1 ATOM 1347 N N . ASN A 1 172 ? -6.278 11.806 8.261 1.00 14.48 ? 170 ASN A N 1 ATOM 1348 C CA . ASN A 1 172 ? -6.417 12.037 6.814 1.00 13.61 ? 170 ASN A CA 1 ATOM 1349 C C . ASN A 1 172 ? -7.846 12.452 6.428 1.00 12.89 ? 170 ASN A C 1 ATOM 1350 O O . ASN A 1 172 ? -8.531 11.756 5.646 1.00 13.32 ? 170 ASN A O 1 ATOM 1351 C CB . ASN A 1 172 ? -5.945 10.822 5.994 1.00 13.33 ? 170 ASN A CB 1 ATOM 1352 C CG . ASN A 1 172 ? -5.890 11.108 4.495 1.00 13.41 ? 170 ASN A CG 1 ATOM 1353 O OD1 . ASN A 1 172 ? -5.883 12.273 4.064 1.00 13.39 ? 170 ASN A OD1 1 ATOM 1354 N ND2 . ASN A 1 172 ? -5.883 10.051 3.697 1.00 13.16 ? 170 ASN A ND2 1 ATOM 1355 N N . LEU A 1 173 ? -8.280 13.580 6.992 1.00 12.95 ? 171 LEU A N 1 ATOM 1356 C CA . LEU A 1 173 ? -9.646 14.082 6.808 1.00 12.38 ? 171 LEU A CA 1 ATOM 1357 C C . LEU A 1 173 ? -9.842 14.475 5.341 1.00 12.22 ? 171 LEU A C 1 ATOM 1358 O O . LEU A 1 173 ? -9.015 15.198 4.764 1.00 11.38 ? 171 LEU A O 1 ATOM 1359 C CB . LEU A 1 173 ? -9.969 15.253 7.767 1.00 13.02 ? 171 LEU A CB 1 ATOM 1360 C CG . LEU A 1 173 ? -11.406 15.823 7.658 1.00 12.48 ? 171 LEU A CG 1 ATOM 1361 C CD1 . LEU A 1 173 ? -12.461 14.776 8.048 1.00 12.97 ? 171 LEU A CD1 1 ATOM 1362 C CD2 . LEU A 1 173 ? -11.590 17.137 8.451 1.00 11.74 ? 171 LEU A CD2 1 ATOM 1363 N N . GLN A 1 174 ? -10.905 13.944 4.739 1.00 11.61 ? 172 GLN A N 1 ATOM 1364 C CA . GLN A 1 174 ? -11.213 14.170 3.324 1.00 12.07 ? 172 GLN A CA 1 ATOM 1365 C C . GLN A 1 174 ? -12.601 14.786 3.073 1.00 11.49 ? 172 GLN A C 1 ATOM 1366 O O . GLN A 1 174 ? -12.848 15.388 2.023 1.00 11.18 ? 172 GLN A O 1 ATOM 1367 C CB . GLN A 1 174 ? -11.042 12.873 2.521 1.00 12.47 ? 172 GLN A CB 1 ATOM 1368 C CG . GLN A 1 174 ? -9.567 12.406 2.452 1.00 13.83 ? 172 GLN A CG 1 ATOM 1369 C CD . GLN A 1 174 ? -8.678 13.393 1.676 1.00 17.67 ? 172 GLN A CD 1 ATOM 1370 O OE1 . GLN A 1 174 ? -9.150 14.101 0.784 1.00 17.60 ? 172 GLN A OE1 1 ATOM 1371 N NE2 . GLN A 1 174 ? -7.399 13.461 2.040 1.00 15.58 ? 172 GLN A NE2 1 ATOM 1372 N N . GLY A 1 175 ? -13.513 14.625 4.023 1.00 11.32 ? 173 GLY A N 1 ATOM 1373 C CA . GLY A 1 175 ? -14.836 15.228 3.857 1.00 10.27 ? 173 GLY A CA 1 ATOM 1374 C C . GLY A 1 175 ? -15.801 14.910 4.982 1.00 9.77 ? 173 GLY A C 1 ATOM 1375 O O . GLY A 1 175 ? -15.463 14.202 5.934 1.00 9.03 ? 173 GLY A O 1 ATOM 1376 N N . LEU A 1 176 ? -17.002 15.459 4.865 1.00 9.28 ? 174 LEU A N 1 ATOM 1377 C CA . LEU A 1 176 ? -18.056 15.235 5.841 1.00 10.49 ? 174 LEU A CA 1 ATOM 1378 C C . LEU A 1 176 ? -19.401 15.205 5.105 1.00 9.89 ? 174 LEU A C 1 ATOM 1379 O O . LEU A 1 176 ? -19.585 15.905 4.082 1.00 9.92 ? 174 LEU A O 1 ATOM 1380 C CB . LEU A 1 176 ? -18.142 16.342 6.891 1.00 11.31 ? 174 LEU A CB 1 ATOM 1381 C CG . LEU A 1 176 ? -17.388 17.579 7.370 1.00 13.39 ? 174 LEU A CG 1 ATOM 1382 C CD1 . LEU A 1 176 ? -16.297 18.182 6.479 1.00 13.90 ? 174 LEU A CD1 1 ATOM 1383 C CD2 . LEU A 1 176 ? -18.460 18.614 7.754 1.00 11.63 ? 174 LEU A CD2 1 ATOM 1384 N N . ALA A 1 177 ? -20.339 14.410 5.635 1.00 9.32 ? 175 ALA A N 1 ATOM 1385 C CA . ALA A 1 177 ? -21.702 14.339 5.104 1.00 8.77 ? 175 ALA A CA 1 ATOM 1386 C C . ALA A 1 177 ? -22.674 14.368 6.278 1.00 8.29 ? 175 ALA A C 1 ATOM 1387 O O . ALA A 1 177 ? -22.442 13.712 7.285 1.00 8.53 ? 175 ALA A O 1 ATOM 1388 C CB . ALA A 1 177 ? -21.902 13.072 4.261 1.00 7.71 ? 175 ALA A CB 1 ATOM 1389 N N . VAL A 1 178 ? -23.724 15.170 6.163 1.00 7.45 ? 176 VAL A N 1 ATOM 1390 C CA . VAL A 1 178 ? -24.714 15.316 7.231 1.00 7.36 ? 176 VAL A CA 1 ATOM 1391 C C . VAL A 1 178 ? -26.099 15.100 6.622 1.00 7.32 ? 176 VAL A C 1 ATOM 1392 O O . VAL A 1 178 ? -26.475 15.802 5.673 1.00 7.18 ? 176 VAL A O 1 ATOM 1393 C CB . VAL A 1 178 ? -24.620 16.721 7.901 1.00 7.70 ? 176 VAL A CB 1 ATOM 1394 C CG1 . VAL A 1 178 ? -25.816 16.965 8.839 1.00 7.94 ? 176 VAL A CG1 1 ATOM 1395 C CG2 . VAL A 1 178 ? -23.260 16.901 8.654 1.00 8.33 ? 176 VAL A CG2 1 ATOM 1396 N N . GLY A 1 179 ? -26.848 14.138 7.169 1.00 7.72 ? 177 GLY A N 1 ATOM 1397 C CA . GLY A 1 179 ? -28.193 13.821 6.685 1.00 7.56 ? 177 GLY A CA 1 ATOM 1398 C C . GLY A 1 179 ? -29.261 14.458 7.559 1.00 7.75 ? 177 GLY A C 1 ATOM 1399 O O . GLY A 1 179 ? -29.205 14.317 8.769 1.00 7.06 ? 177 GLY A O 1 ATOM 1400 N N . ASN A 1 180 ? -30.204 15.174 6.941 1.00 7.85 ? 178 ASN A N 1 ATOM 1401 C CA . ASN A 1 180 ? -31.261 15.911 7.676 1.00 8.20 ? 178 ASN A CA 1 ATOM 1402 C C . ASN A 1 180 ? -30.711 16.579 8.935 1.00 9.03 ? 178 ASN A C 1 ATOM 1403 O O . ASN A 1 180 ? -31.239 16.418 10.056 1.00 8.78 ? 178 ASN A O 1 ATOM 1404 C CB . ASN A 1 180 ? -32.453 14.992 7.982 1.00 8.26 ? 178 ASN A CB 1 ATOM 1405 C CG . ASN A 1 180 ? -33.201 14.591 6.715 1.00 8.87 ? 178 ASN A CG 1 ATOM 1406 O OD1 . ASN A 1 180 ? -32.742 13.733 5.970 1.00 7.99 ? 178 ASN A OD1 1 ATOM 1407 N ND2 . ASN A 1 180 ? -34.337 15.244 6.456 1.00 7.59 ? 178 ASN A ND2 1 ATOM 1408 N N . GLY A 1 181 ? -29.645 17.339 8.724 1.00 9.57 ? 179 GLY A N 1 ATOM 1409 C CA . GLY A 1 181 ? -28.874 17.910 9.811 1.00 10.56 ? 179 GLY A CA 1 ATOM 1410 C C . GLY A 1 181 ? -29.439 19.205 10.362 1.00 11.47 ? 179 GLY A C 1 ATOM 1411 O O . GLY A 1 181 ? -30.003 20.026 9.627 1.00 10.85 ? 179 GLY A O 1 ATOM 1412 N N . LEU A 1 182 ? -29.277 19.387 11.674 1.00 11.67 ? 180 LEU A N 1 ATOM 1413 C CA . LEU A 1 182 ? -29.544 20.686 12.288 1.00 12.44 ? 180 LEU A CA 1 ATOM 1414 C C . LEU A 1 182 ? -28.349 21.601 12.042 1.00 11.35 ? 180 LEU A C 1 ATOM 1415 O O . LEU A 1 182 ? -27.265 21.392 12.616 1.00 11.59 ? 180 LEU A O 1 ATOM 1416 C CB . LEU A 1 182 ? -29.787 20.542 13.787 1.00 12.47 ? 180 LEU A CB 1 ATOM 1417 C CG . LEU A 1 182 ? -30.110 21.792 14.614 1.00 14.63 ? 180 LEU A CG 1 ATOM 1418 C CD1 . LEU A 1 182 ? -31.266 22.623 14.059 1.00 17.95 ? 180 LEU A CD1 1 ATOM 1419 C CD2 . LEU A 1 182 ? -30.435 21.325 16.034 1.00 13.34 ? 180 LEU A CD2 1 ATOM 1420 N N . SER A 1 183 ? -28.540 22.577 11.162 1.00 10.79 ? 181 SER A N 1 ATOM 1421 C CA . SER A 1 183 ? -27.457 23.469 10.733 1.00 10.45 ? 181 SER A CA 1 ATOM 1422 C C . SER A 1 183 ? -27.701 24.885 11.205 1.00 10.65 ? 181 SER A C 1 ATOM 1423 O O . SER A 1 183 ? -26.750 25.632 11.496 1.00 11.19 ? 181 SER A O 1 ATOM 1424 C CB . SER A 1 183 ? -27.275 23.460 9.193 1.00 10.63 ? 181 SER A CB 1 ATOM 1425 O OG . SER A 1 183 ? -26.785 22.211 8.722 1.00 10.75 ? 181 SER A OG 1 ATOM 1426 N N . SER A 1 184 ? -28.969 25.260 11.282 1.00 10.64 ? 182 SER A N 1 ATOM 1427 C CA . SER A 1 184 ? -29.365 26.592 11.777 1.00 10.77 ? 182 SER A CA 1 ATOM 1428 C C . SER A 1 184 ? -30.772 26.479 12.362 1.00 10.80 ? 182 SER A C 1 ATOM 1429 O O . SER A 1 184 ? -31.708 26.126 11.638 1.00 11.36 ? 182 SER A O 1 ATOM 1430 C CB . SER A 1 184 ? -29.349 27.603 10.615 1.00 11.05 ? 182 SER A CB 1 ATOM 1431 O OG . SER A 1 184 ? -30.104 28.770 10.934 1.00 9.23 ? 182 SER A OG 1 ATOM 1432 N N . TYR A 1 185 ? -30.940 26.760 13.659 1.00 10.66 ? 183 TYR A N 1 ATOM 1433 C CA . TYR A 1 185 ? -32.292 26.817 14.222 1.00 10.89 ? 183 TYR A CA 1 ATOM 1434 C C . TYR A 1 185 ? -33.197 27.778 13.460 1.00 10.86 ? 183 TYR A C 1 ATOM 1435 O O . TYR A 1 185 ? -34.363 27.474 13.220 1.00 10.83 ? 183 TYR A O 1 ATOM 1436 C CB . TYR A 1 185 ? -32.273 27.203 15.701 1.00 10.96 ? 183 TYR A CB 1 ATOM 1437 C CG . TYR A 1 185 ? -31.706 26.119 16.569 1.00 11.87 ? 183 TYR A CG 1 ATOM 1438 C CD1 . TYR A 1 185 ? -30.335 26.063 16.824 1.00 10.28 ? 183 TYR A CD1 1 ATOM 1439 C CD2 . TYR A 1 185 ? -32.535 25.138 17.130 1.00 12.20 ? 183 TYR A CD2 1 ATOM 1440 C CE1 . TYR A 1 185 ? -29.788 25.056 17.629 1.00 12.98 ? 183 TYR A CE1 1 ATOM 1441 C CE2 . TYR A 1 185 ? -31.991 24.114 17.963 1.00 12.90 ? 183 TYR A CE2 1 ATOM 1442 C CZ . TYR A 1 185 ? -30.625 24.091 18.192 1.00 11.83 ? 183 TYR A CZ 1 ATOM 1443 O OH . TYR A 1 185 ? -30.090 23.119 18.988 1.00 12.66 ? 183 TYR A OH 1 ATOM 1444 N N . GLU A 1 186 ? -32.655 28.926 13.061 1.00 10.42 ? 184 GLU A N 1 ATOM 1445 C CA . GLU A 1 186 ? -33.473 29.960 12.413 1.00 9.77 ? 184 GLU A CA 1 ATOM 1446 C C . GLU A 1 186 ? -33.954 29.551 11.016 1.00 10.13 ? 184 GLU A C 1 ATOM 1447 O O . GLU A 1 186 ? -35.131 29.707 10.685 1.00 9.00 ? 184 GLU A O 1 ATOM 1448 C CB . GLU A 1 186 ? -32.716 31.294 12.362 1.00 10.13 ? 184 GLU A CB 1 ATOM 1449 C CG . GLU A 1 186 ? -33.505 32.419 11.706 1.00 9.60 ? 184 GLU A CG 1 ATOM 1450 C CD . GLU A 1 186 ? -32.822 33.751 11.846 1.00 11.89 ? 184 GLU A CD 1 ATOM 1451 O OE1 . GLU A 1 186 ? -31.598 33.751 12.077 1.00 13.02 ? 184 GLU A OE1 1 ATOM 1452 O OE2 . GLU A 1 186 ? -33.523 34.773 11.718 1.00 10.29 ? 184 GLU A OE2 1 ATOM 1453 N N . GLN A 1 187 ? -33.044 29.025 10.202 1.00 9.74 ? 185 GLN A N 1 ATOM 1454 C CA . GLN A 1 187 ? -33.439 28.522 8.904 1.00 10.19 ? 185 GLN A CA 1 ATOM 1455 C C . GLN A 1 187 ? -34.394 27.317 9.010 1.00 9.44 ? 185 GLN A C 1 ATOM 1456 O O . GLN A 1 187 ? -35.314 27.207 8.213 1.00 9.85 ? 185 GLN A O 1 ATOM 1457 C CB . GLN A 1 187 ? -32.200 28.298 8.026 1.00 10.86 ? 185 GLN A CB 1 ATOM 1458 C CG . GLN A 1 187 ? -31.693 29.692 7.575 1.00 14.87 ? 185 GLN A CG 1 ATOM 1459 C CD . GLN A 1 187 ? -30.432 29.689 6.804 1.00 19.28 ? 185 GLN A CD 1 ATOM 1460 O OE1 . GLN A 1 187 ? -30.296 30.424 5.829 1.00 20.09 ? 185 GLN A OE1 1 ATOM 1461 N NE2 . GLN A 1 187 ? -29.469 28.894 7.245 1.00 23.20 ? 185 GLN A NE2 1 ATOM 1462 N N . ASN A 1 188 ? -34.193 26.454 10.005 1.00 8.85 ? 186 ASN A N 1 ATOM 1463 C CA . ASN A 1 188 ? -35.074 25.279 10.222 1.00 9.51 ? 186 ASN A CA 1 ATOM 1464 C C . ASN A 1 188 ? -36.493 25.701 10.623 1.00 9.74 ? 186 ASN A C 1 ATOM 1465 O O . ASN A 1 188 ? -37.493 25.220 10.061 1.00 8.95 ? 186 ASN A O 1 ATOM 1466 C CB . ASN A 1 188 ? -34.480 24.329 11.275 1.00 10.12 ? 186 ASN A CB 1 ATOM 1467 C CG . ASN A 1 188 ? -35.351 23.079 11.522 1.00 12.42 ? 186 ASN A CG 1 ATOM 1468 O OD1 . ASN A 1 188 ? -35.773 22.820 12.639 1.00 21.49 ? 186 ASN A OD1 1 ATOM 1469 N ND2 . ASN A 1 188 ? -35.587 22.316 10.503 1.00 9.22 ? 186 ASN A ND2 1 ATOM 1470 N N . ASP A 1 189 ? -36.576 26.621 11.582 1.00 8.87 ? 187 ASP A N 1 ATOM 1471 C CA . ASP A 1 189 ? -37.874 27.081 12.096 1.00 9.52 ? 187 ASP A CA 1 ATOM 1472 C C . ASP A 1 189 ? -38.684 27.842 11.051 1.00 8.69 ? 187 ASP A C 1 ATOM 1473 O O . ASP A 1 189 ? -39.895 27.646 10.933 1.00 9.56 ? 187 ASP A O 1 ATOM 1474 C CB . ASP A 1 189 ? -37.655 27.976 13.318 1.00 8.72 ? 187 ASP A CB 1 ATOM 1475 C CG . ASP A 1 189 ? -37.135 27.207 14.522 1.00 11.98 ? 187 ASP A CG 1 ATOM 1476 O OD1 . ASP A 1 189 ? -37.009 25.968 14.460 1.00 10.46 ? 187 ASP A OD1 1 ATOM 1477 O OD2 . ASP A 1 189 ? -36.810 27.857 15.527 1.00 13.72 ? 187 ASP A OD2 1 ATOM 1478 N N . ASN A 1 190 ? -38.014 28.710 10.298 1.00 8.75 ? 188 ASN A N 1 ATOM 1479 C CA . ASN A 1 190 ? -38.664 29.488 9.251 1.00 8.83 ? 188 ASN A CA 1 ATOM 1480 C C . ASN A 1 190 ? -39.131 28.590 8.109 1.00 8.96 ? 188 ASN A C 1 ATOM 1481 O O . ASN A 1 190 ? -40.280 28.679 7.676 1.00 8.71 ? 188 ASN A O 1 ATOM 1482 C CB . ASN A 1 190 ? -37.733 30.582 8.728 1.00 9.72 ? 188 ASN A CB 1 ATOM 1483 C CG . ASN A 1 190 ? -37.643 31.790 9.669 1.00 10.63 ? 188 ASN A CG 1 ATOM 1484 O OD1 . ASN A 1 190 ? -38.543 32.060 10.481 1.00 11.63 ? 188 ASN A OD1 1 ATOM 1485 N ND2 . ASN A 1 190 ? -36.539 32.510 9.570 1.00 9.72 ? 188 ASN A ND2 1 ATOM 1486 N N . SER A 1 191 ? -38.241 27.716 7.627 1.00 8.28 ? 189 SER A N 1 ATOM 1487 C CA . SER A 1 191 ? -38.636 26.772 6.582 1.00 7.91 ? 189 SER A CA 1 ATOM 1488 C C . SER A 1 191 ? -39.756 25.795 6.977 1.00 8.07 ? 189 SER A C 1 ATOM 1489 O O . SER A 1 191 ? -40.584 25.453 6.141 1.00 7.96 ? 189 SER A O 1 ATOM 1490 C CB . SER A 1 191 ? -37.419 26.032 6.013 1.00 7.33 ? 189 SER A CB 1 ATOM 1491 O OG . SER A 1 191 ? -36.754 25.335 7.045 1.00 8.17 ? 189 SER A OG 1 ATOM 1492 N N . LEU A 1 192 ? -39.782 25.354 8.231 1.00 8.17 ? 190 LEU A N 1 ATOM 1493 C CA . LEU A 1 192 ? -40.793 24.389 8.700 1.00 9.11 ? 190 LEU A CA 1 ATOM 1494 C C . LEU A 1 192 ? -42.231 24.949 8.567 1.00 9.26 ? 190 LEU A C 1 ATOM 1495 O O . LEU A 1 192 ? -43.191 24.230 8.208 1.00 9.01 ? 190 LEU A O 1 ATOM 1496 C CB . LEU A 1 192 ? -40.520 23.999 10.170 1.00 8.55 ? 190 LEU A CB 1 ATOM 1497 C CG . LEU A 1 192 ? -41.468 22.968 10.808 1.00 9.79 ? 190 LEU A CG 1 ATOM 1498 C CD1 . LEU A 1 192 ? -41.579 21.751 9.912 1.00 10.79 ? 190 LEU A CD1 1 ATOM 1499 C CD2 . LEU A 1 192 ? -41.041 22.564 12.256 1.00 10.01 ? 190 LEU A CD2 1 ATOM 1500 N N . VAL A 1 193 ? -42.390 26.220 8.897 1.00 8.95 ? 191 VAL A N 1 ATOM 1501 C CA . VAL A 1 193 ? -43.724 26.816 8.825 1.00 9.02 ? 191 VAL A CA 1 ATOM 1502 C C . VAL A 1 193 ? -44.244 26.798 7.391 1.00 8.88 ? 191 VAL A C 1 ATOM 1503 O O . VAL A 1 193 ? -45.394 26.396 7.155 1.00 9.23 ? 191 VAL A O 1 ATOM 1504 C CB . VAL A 1 193 ? -43.766 28.200 9.473 1.00 9.29 ? 191 VAL A CB 1 ATOM 1505 C CG1 . VAL A 1 193 ? -45.188 28.803 9.387 1.00 8.55 ? 191 VAL A CG1 1 ATOM 1506 C CG2 . VAL A 1 193 ? -43.350 28.051 10.932 1.00 7.64 ? 191 VAL A CG2 1 ATOM 1507 N N . TYR A 1 194 ? -43.390 27.200 6.443 1.00 9.01 ? 192 TYR A N 1 ATOM 1508 C CA . TYR A 1 194 ? -43.693 27.096 5.016 1.00 8.63 ? 192 TYR A CA 1 ATOM 1509 C C . TYR A 1 194 ? -43.992 25.637 4.657 1.00 8.84 ? 192 TYR A C 1 ATOM 1510 O O . TYR A 1 194 ? -44.991 25.335 3.991 1.00 8.32 ? 192 TYR A O 1 ATOM 1511 C CB . TYR A 1 194 ? -42.524 27.615 4.168 1.00 9.08 ? 192 TYR A CB 1 ATOM 1512 C CG . TYR A 1 194 ? -42.376 29.118 4.133 1.00 9.34 ? 192 TYR A CG 1 ATOM 1513 C CD1 . TYR A 1 194 ? -43.212 29.897 3.334 1.00 7.92 ? 192 TYR A CD1 1 ATOM 1514 C CD2 . TYR A 1 194 ? -41.408 29.763 4.905 1.00 10.35 ? 192 TYR A CD2 1 ATOM 1515 C CE1 . TYR A 1 194 ? -43.067 31.281 3.273 1.00 10.02 ? 192 TYR A CE1 1 ATOM 1516 C CE2 . TYR A 1 194 ? -41.264 31.156 4.865 1.00 10.28 ? 192 TYR A CE2 1 ATOM 1517 C CZ . TYR A 1 194 ? -42.106 31.897 4.055 1.00 10.59 ? 192 TYR A CZ 1 ATOM 1518 O OH . TYR A 1 194 ? -41.983 33.253 3.990 1.00 12.77 ? 192 TYR A OH 1 ATOM 1519 N N . PHE A 1 195 ? -43.101 24.740 5.065 1.00 8.70 ? 193 PHE A N 1 ATOM 1520 C CA . PHE A 1 195 ? -43.275 23.315 4.766 1.00 8.87 ? 193 PHE A CA 1 ATOM 1521 C C . PHE A 1 195 ? -44.667 22.878 5.226 1.00 8.29 ? 193 PHE A C 1 ATOM 1522 O O . PHE A 1 195 ? -45.400 22.241 4.478 1.00 8.00 ? 193 PHE A O 1 ATOM 1523 C CB . PHE A 1 195 ? -42.186 22.495 5.483 1.00 8.96 ? 193 PHE A CB 1 ATOM 1524 C CG . PHE A 1 195 ? -42.191 21.021 5.133 1.00 8.58 ? 193 PHE A CG 1 ATOM 1525 C CD1 . PHE A 1 195 ? -43.140 20.149 5.680 1.00 9.06 ? 193 PHE A CD1 1 ATOM 1526 C CD2 . PHE A 1 195 ? -41.206 20.505 4.303 1.00 8.68 ? 193 PHE A CD2 1 ATOM 1527 C CE1 . PHE A 1 195 ? -43.151 18.787 5.354 1.00 8.77 ? 193 PHE A CE1 1 ATOM 1528 C CE2 . PHE A 1 195 ? -41.193 19.128 3.977 1.00 9.41 ? 193 PHE A CE2 1 ATOM 1529 C CZ . PHE A 1 195 ? -42.166 18.275 4.520 1.00 9.38 ? 193 PHE A CZ 1 ATOM 1530 N N . ALA A 1 196 ? -45.045 23.219 6.469 1.00 8.18 ? 194 ALA A N 1 ATOM 1531 C CA . ALA A 1 196 ? -46.350 22.786 6.994 1.00 7.44 ? 194 ALA A CA 1 ATOM 1532 C C . ALA A 1 196 ? -47.518 23.264 6.132 1.00 8.73 ? 194 ALA A C 1 ATOM 1533 O O . ALA A 1 196 ? -48.427 22.480 5.822 1.00 7.08 ? 194 ALA A O 1 ATOM 1534 C CB . ALA A 1 196 ? -46.555 23.254 8.447 1.00 7.48 ? 194 ALA A CB 1 ATOM 1535 N N . TYR A 1 197 ? -47.507 24.544 5.743 1.00 8.40 ? 195 TYR A N 1 ATOM 1536 C CA . TYR A 1 197 ? -48.612 25.055 4.920 1.00 9.97 ? 195 TYR A CA 1 ATOM 1537 C C . TYR A 1 197 ? -48.678 24.388 3.554 1.00 9.86 ? 195 TYR A C 1 ATOM 1538 O O . TYR A 1 197 ? -49.725 23.893 3.145 1.00 10.48 ? 195 TYR A O 1 ATOM 1539 C CB . TYR A 1 197 ? -48.563 26.588 4.758 1.00 10.03 ? 195 TYR A CB 1 ATOM 1540 C CG . TYR A 1 197 ? -49.675 27.117 3.860 1.00 10.19 ? 195 TYR A CG 1 ATOM 1541 C CD1 . TYR A 1 197 ? -51.019 26.984 4.225 1.00 12.10 ? 195 TYR A CD1 1 ATOM 1542 C CD2 . TYR A 1 197 ? -49.386 27.740 2.655 1.00 8.84 ? 195 TYR A CD2 1 ATOM 1543 C CE1 . TYR A 1 197 ? -52.041 27.451 3.386 1.00 10.71 ? 195 TYR A CE1 1 ATOM 1544 C CE2 . TYR A 1 197 ? -50.393 28.212 1.826 1.00 11.69 ? 195 TYR A CE2 1 ATOM 1545 C CZ . TYR A 1 197 ? -51.710 28.061 2.193 1.00 11.39 ? 195 TYR A CZ 1 ATOM 1546 O OH . TYR A 1 197 ? -52.702 28.518 1.365 1.00 11.34 ? 195 TYR A OH 1 ATOM 1547 N N . TYR A 1 198 ? -47.549 24.377 2.847 1.00 9.86 ? 196 TYR A N 1 ATOM 1548 C CA . TYR A 1 198 ? -47.527 23.837 1.490 1.00 9.45 ? 196 TYR A CA 1 ATOM 1549 C C . TYR A 1 198 ? -47.615 22.318 1.390 1.00 9.19 ? 196 TYR A C 1 ATOM 1550 O O . TYR A 1 198 ? -47.831 21.788 0.291 1.00 9.36 ? 196 TYR A O 1 ATOM 1551 C CB . TYR A 1 198 ? -46.365 24.445 0.689 1.00 8.80 ? 196 TYR A CB 1 ATOM 1552 C CG . TYR A 1 198 ? -46.595 25.924 0.482 1.00 9.01 ? 196 TYR A CG 1 ATOM 1553 C CD1 . TYR A 1 198 ? -47.556 26.377 -0.431 1.00 7.87 ? 196 TYR A CD1 1 ATOM 1554 C CD2 . TYR A 1 198 ? -45.912 26.875 1.261 1.00 8.17 ? 196 TYR A CD2 1 ATOM 1555 C CE1 . TYR A 1 198 ? -47.807 27.752 -0.581 1.00 6.93 ? 196 TYR A CE1 1 ATOM 1556 C CE2 . TYR A 1 198 ? -46.132 28.217 1.105 1.00 9.29 ? 196 TYR A CE2 1 ATOM 1557 C CZ . TYR A 1 198 ? -47.085 28.661 0.189 1.00 8.49 ? 196 TYR A CZ 1 ATOM 1558 O OH . TYR A 1 198 ? -47.293 30.027 0.083 1.00 10.20 ? 196 TYR A OH 1 ATOM 1559 N N . HIS A 1 199 ? -47.522 21.621 2.534 1.00 9.08 ? 197 HIS A N 1 ATOM 1560 C CA . HIS A 1 199 ? -47.867 20.197 2.591 1.00 9.44 ? 197 HIS A CA 1 ATOM 1561 C C . HIS A 1 199 ? -49.272 19.887 3.161 1.00 10.05 ? 197 HIS A C 1 ATOM 1562 O O . HIS A 1 199 ? -49.599 18.729 3.455 1.00 10.29 ? 197 HIS A O 1 ATOM 1563 C CB . HIS A 1 199 ? -46.775 19.369 3.301 1.00 9.43 ? 197 HIS A CB 1 ATOM 1564 C CG . HIS A 1 199 ? -45.474 19.303 2.557 1.00 8.96 ? 197 HIS A CG 1 ATOM 1565 N ND1 . HIS A 1 199 ? -44.565 20.341 2.555 1.00 8.81 ? 197 HIS A ND1 1 ATOM 1566 C CD2 . HIS A 1 199 ? -44.897 18.300 1.854 1.00 8.73 ? 197 HIS A CD2 1 ATOM 1567 C CE1 . HIS A 1 199 ? -43.511 20.002 1.832 1.00 8.66 ? 197 HIS A CE1 1 ATOM 1568 N NE2 . HIS A 1 199 ? -43.682 18.763 1.409 1.00 9.05 ? 197 HIS A NE2 1 ATOM 1569 N N . GLY A 1 200 ? -50.115 20.913 3.274 1.00 9.99 ? 198 GLY A N 1 ATOM 1570 C CA . GLY A 1 200 ? -51.521 20.719 3.550 1.00 9.57 ? 198 GLY A CA 1 ATOM 1571 C C . GLY A 1 200 ? -51.846 20.526 5.017 1.00 9.68 ? 198 GLY A C 1 ATOM 1572 O O . GLY A 1 200 ? -52.850 19.915 5.336 1.00 9.09 ? 198 GLY A O 1 ATOM 1573 N N . LEU A 1 201 ? -50.974 20.998 5.913 1.00 9.53 ? 199 LEU A N 1 ATOM 1574 C CA . LEU A 1 201 ? -51.172 20.754 7.347 1.00 9.87 ? 199 LEU A CA 1 ATOM 1575 C C . LEU A 1 201 ? -51.847 21.929 8.007 1.00 9.79 ? 199 LEU A C 1 ATOM 1576 O O . LEU A 1 201 ? -52.423 21.794 9.082 1.00 9.78 ? 199 LEU A O 1 ATOM 1577 C CB . LEU A 1 201 ? -49.828 20.459 8.051 1.00 10.18 ? 199 LEU A CB 1 ATOM 1578 C CG . LEU A 1 201 ? -48.916 19.443 7.338 1.00 11.16 ? 199 LEU A CG 1 ATOM 1579 C CD1 . LEU A 1 201 ? -47.748 19.118 8.251 1.00 11.45 ? 199 LEU A CD1 1 ATOM 1580 C CD2 . LEU A 1 201 ? -49.667 18.187 6.973 1.00 10.68 ? 199 LEU A CD2 1 ATOM 1581 N N . LEU A 1 202 ? -51.743 23.086 7.357 1.00 10.14 ? 200 LEU A N 1 ATOM 1582 C CA . LEU A 1 202 ? -52.353 24.317 7.836 1.00 11.10 ? 200 LEU A CA 1 ATOM 1583 C C . LEU A 1 202 ? -53.316 24.778 6.761 1.00 11.99 ? 200 LEU A C 1 ATOM 1584 O O . LEU A 1 202 ? -53.102 24.532 5.564 1.00 13.01 ? 200 LEU A O 1 ATOM 1585 C CB . LEU A 1 202 ? -51.289 25.412 8.079 1.00 10.61 ? 200 LEU A CB 1 ATOM 1586 C CG . LEU A 1 202 ? -49.945 25.058 8.754 1.00 11.37 ? 200 LEU A CG 1 ATOM 1587 C CD1 . LEU A 1 202 ? -48.979 26.248 8.787 1.00 11.26 ? 200 LEU A CD1 1 ATOM 1588 C CD2 . LEU A 1 202 ? -50.168 24.511 10.162 1.00 10.35 ? 200 LEU A CD2 1 ATOM 1589 N N . GLY A 1 203 ? -54.372 25.463 7.176 1.00 12.21 ? 201 GLY A N 1 ATOM 1590 C CA . GLY A 1 203 ? -55.300 26.009 6.201 1.00 12.50 ? 201 GLY A CA 1 ATOM 1591 C C . GLY A 1 203 ? -55.061 27.477 5.894 1.00 12.73 ? 201 GLY A C 1 ATOM 1592 O O . GLY A 1 203 ? -54.117 28.096 6.395 1.00 12.40 ? 201 GLY A O 1 ATOM 1593 N N . ASN A 1 204 ? -55.947 28.025 5.072 1.00 12.59 ? 202 ASN A N 1 ATOM 1594 C CA . ASN A 1 204 ? -55.924 29.438 4.701 1.00 13.55 ? 202 ASN A CA 1 ATOM 1595 C C . ASN A 1 204 ? -56.004 30.404 5.873 1.00 12.30 ? 202 ASN A C 1 ATOM 1596 O O . ASN A 1 204 ? -55.312 31.429 5.889 1.00 11.29 ? 202 ASN A O 1 ATOM 1597 C CB . ASN A 1 204 ? -57.119 29.737 3.802 1.00 14.49 ? 202 ASN A CB 1 ATOM 1598 C CG . ASN A 1 204 ? -57.148 31.170 3.336 1.00 20.11 ? 202 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 204 ? -56.323 31.596 2.519 1.00 26.49 ? 202 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 204 ? -58.115 31.928 3.835 1.00 25.17 ? 202 ASN A ND2 1 ATOM 1601 N N . ARG A 1 205 ? -56.907 30.113 6.808 1.00 11.51 ? 203 ARG A N 1 ATOM 1602 C CA . ARG A 1 205 ? -57.135 31.009 7.935 1.00 11.61 ? 203 ARG A CA 1 ATOM 1603 C C . ARG A 1 205 ? -55.838 31.182 8.739 1.00 10.68 ? 203 ARG A C 1 ATOM 1604 O O . ARG A 1 205 ? -55.434 32.303 9.052 1.00 9.65 ? 203 ARG A O 1 ATOM 1605 C CB . ARG A 1 205 ? -58.254 30.508 8.836 1.00 11.98 ? 203 ARG A CB 1 ATOM 1606 C CG . ARG A 1 205 ? -59.643 30.504 8.194 1.00 12.86 ? 203 ARG A CG 1 ATOM 1607 C CD . ARG A 1 205 ? -60.036 31.917 7.758 1.00 14.66 ? 203 ARG A CD 1 ATOM 1608 N NE . ARG A 1 205 ? -61.407 31.957 7.246 1.00 16.10 ? 203 ARG A NE 1 ATOM 1609 C CZ . ARG A 1 205 ? -61.931 32.988 6.593 1.00 15.49 ? 203 ARG A CZ 1 ATOM 1610 N NH1 . ARG A 1 205 ? -61.193 34.076 6.340 1.00 17.52 ? 203 ARG A NH1 1 ATOM 1611 N NH2 . ARG A 1 205 ? -63.198 32.931 6.178 1.00 15.49 ? 203 ARG A NH2 1 ATOM 1612 N N . LEU A 1 206 ? -55.193 30.068 9.066 1.00 9.35 ? 204 LEU A N 1 ATOM 1613 C CA . LEU A 1 206 ? -53.954 30.130 9.841 1.00 9.25 ? 204 LEU A CA 1 ATOM 1614 C C . LEU A 1 206 ? -52.798 30.726 9.026 1.00 9.41 ? 204 LEU A C 1 ATOM 1615 O O . LEU A 1 206 ? -52.064 31.569 9.531 1.00 8.61 ? 204 LEU A O 1 ATOM 1616 C CB . LEU A 1 206 ? -53.587 28.759 10.429 1.00 8.85 ? 204 LEU A CB 1 ATOM 1617 C CG . LEU A 1 206 ? -52.343 28.645 11.340 1.00 9.06 ? 204 LEU A CG 1 ATOM 1618 C CD1 . LEU A 1 206 ? -52.416 29.587 12.554 1.00 11.09 ? 204 LEU A CD1 1 ATOM 1619 C CD2 . LEU A 1 206 ? -52.144 27.193 11.827 1.00 8.22 ? 204 LEU A CD2 1 ATOM 1620 N N . TRP A 1 207 ? -52.665 30.310 7.772 1.00 9.57 ? 205 TRP A N 1 ATOM 1621 C CA . TRP A 1 207 ? -51.668 30.911 6.871 1.00 10.28 ? 205 TRP A CA 1 ATOM 1622 C C . TRP A 1 207 ? -51.827 32.439 6.735 1.00 11.18 ? 205 TRP A C 1 ATOM 1623 O O . TRP A 1 207 ? -50.843 33.168 6.908 1.00 11.91 ? 205 TRP A O 1 ATOM 1624 C CB . TRP A 1 207 ? -51.699 30.254 5.488 1.00 10.20 ? 205 TRP A CB 1 ATOM 1625 C CG . TRP A 1 207 ? -50.519 30.649 4.595 1.00 10.51 ? 205 TRP A CG 1 ATOM 1626 C CD1 . TRP A 1 207 ? -50.580 31.238 3.363 1.00 11.96 ? 205 TRP A CD1 1 ATOM 1627 C CD2 . TRP A 1 207 ? -49.118 30.492 4.895 1.00 10.59 ? 205 TRP A CD2 1 ATOM 1628 N NE1 . TRP A 1 207 ? -49.304 31.428 2.864 1.00 11.91 ? 205 TRP A NE1 1 ATOM 1629 C CE2 . TRP A 1 207 ? -48.393 30.991 3.791 1.00 10.09 ? 205 TRP A CE2 1 ATOM 1630 C CE3 . TRP A 1 207 ? -48.411 29.968 5.988 1.00 11.49 ? 205 TRP A CE3 1 ATOM 1631 C CZ2 . TRP A 1 207 ? -46.985 30.968 3.739 1.00 11.56 ? 205 TRP A CZ2 1 ATOM 1632 C CZ3 . TRP A 1 207 ? -47.005 29.957 5.945 1.00 12.29 ? 205 TRP A CZ3 1 ATOM 1633 C CH2 . TRP A 1 207 ? -46.312 30.447 4.823 1.00 11.09 ? 205 TRP A CH2 1 ATOM 1634 N N . SER A 1 208 ? -53.039 32.929 6.421 1.00 12.00 ? 206 SER A N 1 ATOM 1635 C CA . SER A 1 208 ? -53.261 34.389 6.339 1.00 12.64 ? 206 SER A CA 1 ATOM 1636 C C . SER A 1 208 ? -52.813 35.098 7.606 1.00 11.47 ? 206 SER A C 1 ATOM 1637 O O . SER A 1 208 ? -52.126 36.116 7.530 1.00 11.67 ? 206 SER A O 1 ATOM 1638 C CB . SER A 1 208 ? -54.720 34.782 6.047 1.00 13.20 ? 206 SER A CB 1 ATOM 1639 O OG . SER A 1 208 ? -55.252 34.014 4.990 1.00 19.49 ? 206 SER A OG 1 ATOM 1640 N N . SER A 1 209 ? -53.203 34.561 8.759 1.00 10.78 ? 207 SER A N 1 ATOM 1641 C CA . SER A 1 209 ? -52.797 35.116 10.068 1.00 11.09 ? 207 SER A CA 1 ATOM 1642 C C . SER A 1 209 ? -51.278 35.111 10.291 1.00 11.12 ? 207 SER A C 1 ATOM 1643 O O . SER A 1 209 ? -50.693 36.147 10.650 1.00 11.20 ? 207 SER A O 1 ATOM 1644 C CB . SER A 1 209 ? -53.498 34.398 11.223 1.00 10.71 ? 207 SER A CB 1 ATOM 1645 O OG . SER A 1 209 ? -53.222 35.024 12.471 1.00 9.78 ? 207 SER A OG 1 ATOM 1646 N N . LEU A 1 210 ? -50.639 33.962 10.067 1.00 11.63 ? 208 LEU A N 1 ATOM 1647 C CA . LEU A 1 210 ? -49.163 33.890 10.087 1.00 11.41 ? 208 LEU A CA 1 ATOM 1648 C C . LEU A 1 210 ? -48.481 34.951 9.194 1.00 11.73 ? 208 LEU A C 1 ATOM 1649 O O . LEU A 1 210 ? -47.512 35.592 9.601 1.00 11.88 ? 208 LEU A O 1 ATOM 1650 C CB . LEU A 1 210 ? -48.679 32.466 9.711 1.00 10.65 ? 208 LEU A CB 1 ATOM 1651 C CG . LEU A 1 210 ? -48.948 31.361 10.749 1.00 10.42 ? 208 LEU A CG 1 ATOM 1652 C CD1 . LEU A 1 210 ? -48.982 29.927 10.126 1.00 10.34 ? 208 LEU A CD1 1 ATOM 1653 C CD2 . LEU A 1 210 ? -47.931 31.418 11.899 1.00 10.35 ? 208 LEU A CD2 1 ATOM 1654 N N . GLN A 1 211 ? -48.973 35.097 7.968 1.00 12.82 ? 209 GLN A N 1 ATOM 1655 C CA . GLN A 1 211 ? -48.445 36.091 7.023 1.00 13.00 ? 209 GLN A CA 1 ATOM 1656 C C . GLN A 1 211 ? -48.604 37.545 7.531 1.00 13.30 ? 209 GLN A C 1 ATOM 1657 O O . GLN A 1 211 ? -47.667 38.357 7.453 1.00 12.81 ? 209 GLN A O 1 ATOM 1658 C CB . GLN A 1 211 ? -49.102 35.919 5.651 1.00 14.04 ? 209 GLN A CB 1 ATOM 1659 C CG . GLN A 1 211 ? -48.624 34.684 4.883 1.00 16.89 ? 209 GLN A CG 1 ATOM 1660 C CD . GLN A 1 211 ? -47.152 34.761 4.503 1.00 21.14 ? 209 GLN A CD 1 ATOM 1661 O OE1 . GLN A 1 211 ? -46.372 33.859 4.810 1.00 25.75 ? 209 GLN A OE1 1 ATOM 1662 N NE2 . GLN A 1 211 ? -46.763 35.845 3.849 1.00 23.73 ? 209 GLN A NE2 1 ATOM 1663 N N . THR A 1 212 ? -49.782 37.843 8.068 1.00 12.69 ? 210 THR A N 1 ATOM 1664 C CA . THR A 1 212 ? -50.114 39.176 8.589 1.00 13.66 ? 210 THR A CA 1 ATOM 1665 C C . THR A 1 212 ? -49.251 39.523 9.800 1.00 13.44 ? 210 THR A C 1 ATOM 1666 O O . THR A 1 212 ? -48.696 40.627 9.898 1.00 14.16 ? 210 THR A O 1 ATOM 1667 C CB . THR A 1 212 ? -51.609 39.230 8.957 1.00 13.82 ? 210 THR A CB 1 ATOM 1668 O OG1 . THR A 1 212 ? -52.372 39.098 7.758 1.00 14.89 ? 210 THR A OG1 1 ATOM 1669 C CG2 . THR A 1 212 ? -51.993 40.569 9.662 1.00 14.66 ? 210 THR A CG2 1 ATOM 1670 N N . HIS A 1 213 ? -49.119 38.552 10.703 1.00 12.66 ? 211 HIS A N 1 ATOM 1671 C CA . HIS A 1 213 ? -48.544 38.791 12.028 1.00 11.80 ? 211 HIS A CA 1 ATOM 1672 C C . HIS A 1 213 ? -47.051 38.508 12.143 1.00 11.98 ? 211 HIS A C 1 ATOM 1673 O O . HIS A 1 213 ? -46.377 39.162 12.929 1.00 13.04 ? 211 HIS A O 1 ATOM 1674 C CB . HIS A 1 213 ? -49.381 38.085 13.124 1.00 11.13 ? 211 HIS A CB 1 ATOM 1675 C CG . HIS A 1 213 ? -50.772 38.626 13.239 1.00 9.37 ? 211 HIS A CG 1 ATOM 1676 N ND1 . HIS A 1 213 ? -51.070 39.787 13.926 1.00 10.79 ? 211 HIS A ND1 1 ATOM 1677 C CD2 . HIS A 1 213 ? -51.940 38.203 12.693 1.00 9.09 ? 211 HIS A CD2 1 ATOM 1678 C CE1 . HIS A 1 213 ? -52.364 40.044 13.810 1.00 8.23 ? 211 HIS A CE1 1 ATOM 1679 N NE2 . HIS A 1 213 ? -52.913 39.096 13.068 1.00 11.16 ? 211 HIS A NE2 1 ATOM 1680 N N . CYS A 1 214 ? -46.518 37.592 11.325 1.00 11.22 ? 212 CYS A N 1 ATOM 1681 C CA . CYS A 1 214 ? -45.112 37.190 11.444 1.00 12.14 ? 212 CYS A CA 1 ATOM 1682 C C . CYS A 1 214 ? -44.203 37.756 10.361 1.00 12.59 ? 212 CYS A C 1 ATOM 1683 O O . CYS A 1 214 ? -42.978 37.621 10.456 1.00 13.28 ? 212 CYS A O 1 ATOM 1684 C CB . CYS A 1 214 ? -44.973 35.655 11.427 1.00 11.42 ? 212 CYS A CB 1 ATOM 1685 S SG . CYS A 1 214 ? -45.973 34.776 12.626 1.00 11.81 ? 212 CYS A SG 1 ATOM 1686 N N . CYS A 1 215 ? -44.795 38.359 9.335 1.00 13.37 ? 213 CYS A N 1 ATOM 1687 C CA . CYS A 1 215 ? -44.057 38.702 8.129 1.00 16.77 ? 213 CYS A CA 1 ATOM 1688 C C . CYS A 1 215 ? -44.194 40.166 7.788 1.00 18.87 ? 213 CYS A C 1 ATOM 1689 O O . CYS A 1 215 ? -45.198 40.803 8.103 1.00 18.81 ? 213 CYS A O 1 ATOM 1690 C CB . CYS A 1 215 ? -44.516 37.833 6.940 1.00 15.67 ? 213 CYS A CB 1 ATOM 1691 S SG . CYS A 1 215 ? -44.696 36.099 7.358 1.00 15.17 ? 213 CYS A SG 1 ATOM 1692 N N . SER A 1 216 ? -43.154 40.686 7.151 1.00 23.12 ? 214 SER A N 1 ATOM 1693 C CA . SER A 1 216 ? -43.104 42.061 6.692 1.00 26.93 ? 214 SER A CA 1 ATOM 1694 C C . SER A 1 216 ? -42.618 41.970 5.256 1.00 29.19 ? 214 SER A C 1 ATOM 1695 O O . SER A 1 216 ? -41.564 41.385 4.988 1.00 30.09 ? 214 SER A O 1 ATOM 1696 C CB . SER A 1 216 ? -42.119 42.858 7.546 1.00 27.24 ? 214 SER A CB 1 ATOM 1697 O OG . SER A 1 216 ? -42.413 44.247 7.523 1.00 29.94 ? 214 SER A OG 1 ATOM 1698 N N . GLN A 1 217 ? -43.391 42.541 4.333 1.00 31.71 ? 215 GLN A N 1 ATOM 1699 C CA . GLN A 1 217 ? -43.151 42.382 2.892 1.00 33.40 ? 215 GLN A CA 1 ATOM 1700 C C . GLN A 1 217 ? -42.895 40.915 2.496 1.00 33.68 ? 215 GLN A C 1 ATOM 1701 O O . GLN A 1 217 ? -43.709 40.034 2.814 1.00 34.38 ? 215 GLN A O 1 ATOM 1702 C CB . GLN A 1 217 ? -42.081 43.363 2.357 1.00 33.85 ? 215 GLN A CB 1 ATOM 1703 C CG . GLN A 1 217 ? -41.221 44.081 3.400 1.00 36.20 ? 215 GLN A CG 1 ATOM 1704 C CD . GLN A 1 217 ? -40.037 43.252 3.834 1.00 39.39 ? 215 GLN A CD 1 ATOM 1705 O OE1 . GLN A 1 217 ? -39.553 42.395 3.080 1.00 41.75 ? 215 GLN A OE1 1 ATOM 1706 N NE2 . GLN A 1 217 ? -39.569 43.481 5.063 1.00 40.15 ? 215 GLN A NE2 1 ATOM 1707 N N . ASN A 1 218 ? -41.784 40.639 1.822 1.00 33.82 ? 216 ASN A N 1 ATOM 1708 C CA . ASN A 1 218 ? -41.475 39.256 1.413 1.00 33.67 ? 216 ASN A CA 1 ATOM 1709 C C . ASN A 1 218 ? -40.811 38.387 2.496 1.00 32.23 ? 216 ASN A C 1 ATOM 1710 O O . ASN A 1 218 ? -40.604 37.180 2.278 1.00 32.89 ? 216 ASN A O 1 ATOM 1711 C CB . ASN A 1 218 ? -40.624 39.237 0.134 1.00 34.30 ? 216 ASN A CB 1 ATOM 1712 C CG . ASN A 1 218 ? -41.403 39.666 -1.091 1.00 36.41 ? 216 ASN A CG 1 ATOM 1713 O OD1 . ASN A 1 218 ? -41.889 40.801 -1.169 1.00 39.04 ? 216 ASN A OD1 1 ATOM 1714 N ND2 . ASN A 1 218 ? -41.524 38.757 -2.068 1.00 37.91 ? 216 ASN A ND2 1 ATOM 1715 N N . LYS A 1 219 ? -40.505 38.989 3.654 1.00 29.75 ? 217 LYS A N 1 ATOM 1716 C CA . LYS A 1 219 ? -39.695 38.343 4.693 1.00 26.85 ? 217 LYS A CA 1 ATOM 1717 C C . LYS A 1 219 ? -40.516 37.959 5.937 1.00 23.33 ? 217 LYS A C 1 ATOM 1718 O O . LYS A 1 219 ? -41.108 38.830 6.588 1.00 22.83 ? 217 LYS A O 1 ATOM 1719 C CB . LYS A 1 219 ? -38.542 39.262 5.124 1.00 27.96 ? 217 LYS A CB 1 ATOM 1720 C CG . LYS A 1 219 ? -37.809 40.005 3.992 1.00 30.60 ? 217 LYS A CG 1 ATOM 1721 C CD . LYS A 1 219 ? -36.893 39.094 3.167 1.00 33.47 ? 217 LYS A CD 1 ATOM 1722 C CE . LYS A 1 219 ? -36.007 39.913 2.219 1.00 33.02 ? 217 LYS A CE 1 ATOM 1723 N NZ . LYS A 1 219 ? -34.844 40.537 2.935 1.00 35.81 ? 217 LYS A NZ 1 ATOM 1724 N N . CYS A 1 220 ? -40.528 36.663 6.252 1.00 19.43 ? 218 CYS A N 1 ATOM 1725 C CA . CYS A 1 220 ? -41.218 36.130 7.425 1.00 15.90 ? 218 CYS A CA 1 ATOM 1726 C C . CYS A 1 220 ? -40.237 35.807 8.531 1.00 14.24 ? 218 CYS A C 1 ATOM 1727 O O . CYS A 1 220 ? -39.136 35.311 8.280 1.00 13.52 ? 218 CYS A O 1 ATOM 1728 C CB . CYS A 1 220 ? -41.991 34.856 7.080 1.00 15.92 ? 218 CYS A CB 1 ATOM 1729 S SG . CYS A 1 220 ? -43.436 35.138 6.066 1.00 14.17 ? 218 CYS A SG 1 ATOM 1730 N N . ASN A 1 221 ? -40.645 36.075 9.757 1.00 12.15 ? 219 ASN A N 1 ATOM 1731 C CA . ASN A 1 221 ? -39.867 35.671 10.908 1.00 11.22 ? 219 ASN A CA 1 ATOM 1732 C C . ASN A 1 221 ? -40.716 34.747 11.773 1.00 11.23 ? 219 ASN A C 1 ATOM 1733 O O . ASN A 1 221 ? -41.580 35.214 12.533 1.00 10.73 ? 219 ASN A O 1 ATOM 1734 C CB . ASN A 1 221 ? -39.372 36.892 11.699 1.00 10.95 ? 219 ASN A CB 1 ATOM 1735 C CG . ASN A 1 221 ? -38.541 36.503 12.942 1.00 12.61 ? 219 ASN A CG 1 ATOM 1736 O OD1 . ASN A 1 221 ? -38.139 35.348 13.108 1.00 12.42 ? 219 ASN A OD1 1 ATOM 1737 N ND2 . ASN A 1 221 ? -38.279 37.484 13.808 1.00 12.24 ? 219 ASN A ND2 1 ATOM 1738 N N . PHE A 1 222 ? -40.466 33.443 11.631 1.00 10.69 ? 220 PHE A N 1 ATOM 1739 C CA . PHE A 1 222 ? -41.141 32.402 12.406 1.00 10.67 ? 220 PHE A CA 1 ATOM 1740 C C . PHE A 1 222 ? -40.168 31.821 13.437 1.00 11.72 ? 220 PHE A C 1 ATOM 1741 O O . PHE A 1 222 ? -40.425 30.757 14.034 1.00 11.86 ? 220 PHE A O 1 ATOM 1742 C CB . PHE A 1 222 ? -41.648 31.275 11.495 1.00 10.25 ? 220 PHE A CB 1 ATOM 1743 C CG . PHE A 1 222 ? -42.597 31.715 10.409 1.00 10.33 ? 220 PHE A CG 1 ATOM 1744 C CD1 . PHE A 1 222 ? -43.762 32.417 10.704 1.00 8.92 ? 220 PHE A CD1 1 ATOM 1745 C CD2 . PHE A 1 222 ? -42.344 31.371 9.079 1.00 10.27 ? 220 PHE A CD2 1 ATOM 1746 C CE1 . PHE A 1 222 ? -44.652 32.796 9.672 1.00 8.35 ? 220 PHE A CE1 1 ATOM 1747 C CE2 . PHE A 1 222 ? -43.222 31.728 8.046 1.00 10.87 ? 220 PHE A CE2 1 ATOM 1748 C CZ . PHE A 1 222 ? -44.366 32.450 8.334 1.00 11.01 ? 220 PHE A CZ 1 ATOM 1749 N N . TYR A 1 223 ? -39.069 32.532 13.667 1.00 11.84 ? 221 TYR A N 1 ATOM 1750 C CA . TYR A 1 223 ? -38.010 32.041 14.557 1.00 13.08 ? 221 TYR A CA 1 ATOM 1751 C C . TYR A 1 223 ? -38.013 32.702 15.933 1.00 14.05 ? 221 TYR A C 1 ATOM 1752 O O . TYR A 1 223 ? -38.205 32.011 16.940 1.00 14.59 ? 221 TYR A O 1 ATOM 1753 C CB . TYR A 1 223 ? -36.651 32.203 13.892 1.00 13.16 ? 221 TYR A CB 1 ATOM 1754 C CG . TYR A 1 223 ? -35.439 32.029 14.791 1.00 13.15 ? 221 TYR A CG 1 ATOM 1755 C CD1 . TYR A 1 223 ? -35.160 30.797 15.420 1.00 12.53 ? 221 TYR A CD1 1 ATOM 1756 C CD2 . TYR A 1 223 ? -34.539 33.081 14.962 1.00 11.21 ? 221 TYR A CD2 1 ATOM 1757 C CE1 . TYR A 1 223 ? -34.021 30.640 16.234 1.00 13.85 ? 221 TYR A CE1 1 ATOM 1758 C CE2 . TYR A 1 223 ? -33.405 32.937 15.749 1.00 13.03 ? 221 TYR A CE2 1 ATOM 1759 C CZ . TYR A 1 223 ? -33.148 31.722 16.383 1.00 13.84 ? 221 TYR A CZ 1 ATOM 1760 O OH . TYR A 1 223 ? -32.018 31.610 17.157 1.00 15.16 ? 221 TYR A OH 1 ATOM 1761 N N . ASP A 1 224 ? -37.805 34.024 15.984 1.00 12.97 ? 222 ASP A N 1 ATOM 1762 C CA . ASP A 1 224 ? -37.752 34.720 17.285 1.00 13.76 ? 222 ASP A CA 1 ATOM 1763 C C . ASP A 1 224 ? -38.662 35.955 17.311 1.00 13.51 ? 222 ASP A C 1 ATOM 1764 O O . ASP A 1 224 ? -38.356 36.966 17.953 1.00 13.24 ? 222 ASP A O 1 ATOM 1765 C CB . ASP A 1 224 ? -36.306 35.088 17.656 1.00 12.97 ? 222 ASP A CB 1 ATOM 1766 C CG . ASP A 1 224 ? -35.697 36.113 16.728 1.00 15.35 ? 222 ASP A CG 1 ATOM 1767 O OD1 . ASP A 1 224 ? -36.171 36.329 15.574 1.00 15.73 ? 222 ASP A OD1 1 ATOM 1768 O OD2 . ASP A 1 224 ? -34.703 36.728 17.163 1.00 18.97 ? 222 ASP A OD2 1 ATOM 1769 N N . ASN A 1 225 ? -39.769 35.857 16.590 1.00 13.47 ? 223 ASN A N 1 ATOM 1770 C CA . ASN A 1 225 ? -40.724 36.954 16.471 1.00 13.60 ? 223 ASN A CA 1 ATOM 1771 C C . ASN A 1 225 ? -41.428 37.117 17.804 1.00 14.05 ? 223 ASN A C 1 ATOM 1772 O O . ASN A 1 225 ? -41.769 36.138 18.461 1.00 14.65 ? 223 ASN A O 1 ATOM 1773 C CB . ASN A 1 225 ? -41.744 36.636 15.371 1.00 12.87 ? 223 ASN A CB 1 ATOM 1774 C CG . ASN A 1 225 ? -42.374 37.869 14.767 1.00 13.50 ? 223 ASN A CG 1 ATOM 1775 O OD1 . ASN A 1 225 ? -42.736 38.808 15.478 1.00 13.22 ? 223 ASN A OD1 1 ATOM 1776 N ND2 . ASN A 1 225 ? -42.512 37.881 13.442 1.00 13.32 ? 223 ASN A ND2 1 ATOM 1777 N N . LYS A 1 226 ? -41.652 38.356 18.215 1.00 14.20 ? 224 LYS A N 1 ATOM 1778 C CA . LYS A 1 226 ? -42.383 38.575 19.462 1.00 14.83 ? 224 LYS A CA 1 ATOM 1779 C C . LYS A 1 226 ? -43.786 39.142 19.258 1.00 13.81 ? 224 LYS A C 1 ATOM 1780 O O . LYS A 1 226 ? -44.523 39.375 20.221 1.00 13.46 ? 224 LYS A O 1 ATOM 1781 C CB . LYS A 1 226 ? -41.573 39.423 20.428 1.00 15.83 ? 224 LYS A CB 1 ATOM 1782 C CG . LYS A 1 226 ? -40.462 38.616 21.075 1.00 19.17 ? 224 LYS A CG 1 ATOM 1783 C CD . LYS A 1 226 ? -39.312 39.479 21.469 1.00 24.25 ? 224 LYS A CD 1 ATOM 1784 C CE . LYS A 1 226 ? -39.777 40.674 22.241 1.00 28.20 ? 224 LYS A CE 1 ATOM 1785 N NZ . LYS A 1 226 ? -38.821 40.972 23.318 1.00 30.01 ? 224 LYS A NZ 1 ATOM 1786 N N . ASP A 1 227 ? -44.175 39.312 18.003 1.00 12.64 ? 225 ASP A N 1 ATOM 1787 C CA . ASP A 1 227 ? -45.534 39.709 17.710 1.00 11.95 ? 225 ASP A CA 1 ATOM 1788 C C . ASP A 1 227 ? -46.505 38.743 18.412 1.00 11.31 ? 225 ASP A C 1 ATOM 1789 O O . ASP A 1 227 ? -46.329 37.527 18.317 1.00 10.81 ? 225 ASP A O 1 ATOM 1790 C CB . ASP A 1 227 ? -45.766 39.742 16.211 1.00 12.65 ? 225 ASP A CB 1 ATOM 1791 C CG . ASP A 1 227 ? -47.202 40.070 15.865 1.00 12.16 ? 225 ASP A CG 1 ATOM 1792 O OD1 . ASP A 1 227 ? -48.059 39.176 15.971 1.00 10.26 ? 225 ASP A OD1 1 ATOM 1793 O OD2 . ASP A 1 227 ? -47.493 41.232 15.510 1.00 16.66 ? 225 ASP A OD2 1 ATOM 1794 N N . LEU A 1 228 ? -47.506 39.280 19.128 1.00 9.94 ? 226 LEU A N 1 ATOM 1795 C CA . LEU A 1 228 ? -48.329 38.447 20.021 1.00 9.04 ? 226 LEU A CA 1 ATOM 1796 C C . LEU A 1 228 ? -49.131 37.397 19.286 1.00 8.90 ? 226 LEU A C 1 ATOM 1797 O O . LEU A 1 228 ? -49.108 36.215 19.646 1.00 7.96 ? 226 LEU A O 1 ATOM 1798 C CB . LEU A 1 228 ? -49.306 39.301 20.845 1.00 8.30 ? 226 LEU A CB 1 ATOM 1799 C CG . LEU A 1 228 ? -48.667 40.362 21.739 1.00 8.63 ? 226 LEU A CG 1 ATOM 1800 C CD1 . LEU A 1 228 ? -49.742 41.225 22.356 1.00 7.33 ? 226 LEU A CD1 1 ATOM 1801 C CD2 . LEU A 1 228 ? -47.860 39.630 22.820 1.00 9.21 ? 226 LEU A CD2 1 ATOM 1802 N N . GLU A 1 229 ? -49.888 37.830 18.282 1.00 9.25 ? 227 GLU A N 1 ATOM 1803 C CA . GLU A 1 229 ? -50.676 36.865 17.501 1.00 9.63 ? 227 GLU A CA 1 ATOM 1804 C C . GLU A 1 229 ? -49.763 35.896 16.722 1.00 9.56 ? 227 GLU A C 1 ATOM 1805 O O . GLU A 1 229 ? -50.108 34.725 16.560 1.00 8.32 ? 227 GLU A O 1 ATOM 1806 C CB . GLU A 1 229 ? -51.680 37.578 16.580 1.00 10.37 ? 227 GLU A CB 1 ATOM 1807 C CG . GLU A 1 229 ? -52.605 36.633 15.774 1.00 11.79 ? 227 GLU A CG 1 ATOM 1808 C CD . GLU A 1 229 ? -53.546 35.780 16.641 1.00 16.12 ? 227 GLU A CD 1 ATOM 1809 O OE1 . GLU A 1 229 ? -53.656 36.009 17.865 1.00 16.11 ? 227 GLU A OE1 1 ATOM 1810 O OE2 . GLU A 1 229 ? -54.166 34.860 16.078 1.00 17.69 ? 227 GLU A OE2 1 ATOM 1811 N N . CYS A 1 230 ? -48.610 36.392 16.251 1.00 10.00 ? 228 CYS A N 1 ATOM 1812 C CA . CYS A 1 230 ? -47.625 35.512 15.590 1.00 10.01 ? 228 CYS A CA 1 ATOM 1813 C C . CYS A 1 230 ? -47.257 34.339 16.499 1.00 10.30 ? 228 CYS A C 1 ATOM 1814 O O . CYS A 1 230 ? -47.283 33.167 16.079 1.00 9.51 ? 228 CYS A O 1 ATOM 1815 C CB . CYS A 1 230 ? -46.369 36.286 15.191 1.00 9.99 ? 228 CYS A CB 1 ATOM 1816 S SG . CYS A 1 230 ? -45.093 35.241 14.389 1.00 10.71 ? 228 CYS A SG 1 ATOM 1817 N N . VAL A 1 231 ? -46.914 34.651 17.755 1.00 10.12 ? 229 VAL A N 1 ATOM 1818 C CA . VAL A 1 231 ? -46.543 33.608 18.716 1.00 11.08 ? 229 VAL A CA 1 ATOM 1819 C C . VAL A 1 231 ? -47.675 32.573 18.914 1.00 11.19 ? 229 VAL A C 1 ATOM 1820 O O . VAL A 1 231 ? -47.440 31.345 18.906 1.00 11.03 ? 229 VAL A O 1 ATOM 1821 C CB . VAL A 1 231 ? -46.133 34.227 20.079 1.00 10.76 ? 229 VAL A CB 1 ATOM 1822 C CG1 . VAL A 1 231 ? -45.974 33.148 21.155 1.00 12.36 ? 229 VAL A CG1 1 ATOM 1823 C CG2 . VAL A 1 231 ? -44.836 35.007 19.941 1.00 11.12 ? 229 VAL A CG2 1 ATOM 1824 N N . THR A 1 232 ? -48.892 33.067 19.106 1.00 10.77 ? 230 THR A N 1 ATOM 1825 C CA . THR A 1 232 ? -50.085 32.202 19.215 1.00 11.30 ? 230 THR A CA 1 ATOM 1826 C C . THR A 1 232 ? -50.244 31.289 17.996 1.00 10.99 ? 230 THR A C 1 ATOM 1827 O O . THR A 1 232 ? -50.466 30.062 18.134 1.00 11.12 ? 230 THR A O 1 ATOM 1828 C CB . THR A 1 232 ? -51.340 33.064 19.431 1.00 11.34 ? 230 THR A CB 1 ATOM 1829 O OG1 . THR A 1 232 ? -51.159 33.806 20.631 1.00 10.63 ? 230 THR A OG1 1 ATOM 1830 C CG2 . THR A 1 232 ? -52.615 32.203 19.571 1.00 13.48 ? 230 THR A CG2 1 ATOM 1831 N N . ASN A 1 233 ? -50.132 31.878 16.806 1.00 10.58 ? 231 ASN A N 1 ATOM 1832 C CA . ASN A 1 233 ? -50.240 31.099 15.566 1.00 11.13 ? 231 ASN A CA 1 ATOM 1833 C C . ASN A 1 233 ? -49.174 30.022 15.489 1.00 11.16 ? 231 ASN A C 1 ATOM 1834 O O . ASN A 1 233 ? -49.471 28.886 15.121 1.00 11.78 ? 231 ASN A O 1 ATOM 1835 C CB . ASN A 1 233 ? -50.113 31.994 14.346 1.00 10.71 ? 231 ASN A CB 1 ATOM 1836 C CG . ASN A 1 233 ? -51.277 32.949 14.188 1.00 12.21 ? 231 ASN A CG 1 ATOM 1837 O OD1 . ASN A 1 233 ? -52.370 32.748 14.735 1.00 15.89 ? 231 ASN A OD1 1 ATOM 1838 N ND2 . ASN A 1 233 ? -51.056 33.972 13.412 1.00 9.11 ? 231 ASN A ND2 1 ATOM 1839 N N . LEU A 1 234 ? -47.937 30.391 15.841 1.00 10.62 ? 232 LEU A N 1 ATOM 1840 C CA . LEU A 1 234 ? -46.811 29.454 15.832 1.00 11.38 ? 232 LEU A CA 1 ATOM 1841 C C . LEU A 1 234 ? -46.970 28.342 16.871 1.00 11.19 ? 232 LEU A C 1 ATOM 1842 O O . LEU A 1 234 ? -46.524 27.205 16.656 1.00 10.90 ? 232 LEU A O 1 ATOM 1843 C CB . LEU A 1 234 ? -45.473 30.202 15.995 1.00 10.79 ? 232 LEU A CB 1 ATOM 1844 C CG . LEU A 1 234 ? -45.054 31.002 14.756 1.00 10.63 ? 232 LEU A CG 1 ATOM 1845 C CD1 . LEU A 1 234 ? -43.882 31.960 15.061 1.00 10.36 ? 232 LEU A CD1 1 ATOM 1846 C CD2 . LEU A 1 234 ? -44.720 30.066 13.573 1.00 10.42 ? 232 LEU A CD2 1 ATOM 1847 N N . GLN A 1 235 ? -47.621 28.655 17.990 1.00 11.81 ? 233 GLN A N 1 ATOM 1848 C CA . GLN A 1 235 ? -47.974 27.602 18.953 1.00 12.78 ? 233 GLN A CA 1 ATOM 1849 C C . GLN A 1 235 ? -48.937 26.568 18.353 1.00 12.83 ? 233 GLN A C 1 ATOM 1850 O O . GLN A 1 235 ? -48.817 25.364 18.619 1.00 12.48 ? 233 GLN A O 1 ATOM 1851 C CB . GLN A 1 235 ? -48.534 28.196 20.245 1.00 13.83 ? 233 GLN A CB 1 ATOM 1852 C CG . GLN A 1 235 ? -47.497 28.975 21.035 1.00 15.60 ? 233 GLN A CG 1 ATOM 1853 C CD . GLN A 1 235 ? -48.054 29.592 22.293 1.00 20.71 ? 233 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 235 ? -49.266 29.793 22.427 1.00 23.37 ? 233 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 235 ? -47.165 29.922 23.222 1.00 23.84 ? 233 GLN A NE2 1 ATOM 1856 N N . GLU A 1 236 ? -49.882 27.041 17.540 1.00 13.06 ? 234 GLU A N 1 ATOM 1857 C CA . GLU A 1 236 ? -50.827 26.150 16.831 1.00 13.05 ? 234 GLU A CA 1 ATOM 1858 C C . GLU A 1 236 ? -50.143 25.306 15.749 1.00 13.29 ? 234 GLU A C 1 ATOM 1859 O O . GLU A 1 236 ? -50.427 24.093 15.616 1.00 12.66 ? 234 GLU A O 1 ATOM 1860 C CB . GLU A 1 236 ? -52.001 26.969 16.254 1.00 13.17 ? 234 GLU A CB 1 ATOM 1861 C CG . GLU A 1 236 ? -53.070 26.148 15.467 1.00 14.44 ? 234 GLU A CG 1 ATOM 1862 C CD . GLU A 1 236 ? -53.711 24.997 16.250 1.00 19.70 ? 234 GLU A CD 1 ATOM 1863 O OE1 . GLU A 1 236 ? -53.415 24.805 17.451 1.00 21.14 ? 234 GLU A OE1 1 ATOM 1864 O OE2 . GLU A 1 236 ? -54.526 24.253 15.642 1.00 23.10 ? 234 GLU A OE2 1 ATOM 1865 N N . VAL A 1 237 ? -49.247 25.940 14.975 1.00 12.04 ? 235 VAL A N 1 ATOM 1866 C CA . VAL A 1 237 ? -48.390 25.204 14.025 1.00 11.85 ? 235 VAL A CA 1 ATOM 1867 C C . VAL A 1 237 ? -47.579 24.093 14.720 1.00 12.43 ? 235 VAL A C 1 ATOM 1868 O O . VAL A 1 237 ? -47.594 22.940 14.283 1.00 12.85 ? 235 VAL A O 1 ATOM 1869 C CB . VAL A 1 237 ? -47.409 26.141 13.280 1.00 11.06 ? 235 VAL A CB 1 ATOM 1870 C CG1 . VAL A 1 237 ? -46.482 25.350 12.357 1.00 9.77 ? 235 VAL A CG1 1 ATOM 1871 C CG2 . VAL A 1 237 ? -48.165 27.218 12.495 1.00 9.58 ? 235 VAL A CG2 1 ATOM 1872 N N . ALA A 1 238 ? -46.878 24.447 15.797 1.00 12.25 ? 236 ALA A N 1 ATOM 1873 C CA . ALA A 1 238 ? -46.153 23.468 16.604 1.00 13.57 ? 236 ALA A CA 1 ATOM 1874 C C . ALA A 1 238 ? -47.050 22.302 17.030 1.00 13.20 ? 236 ALA A C 1 ATOM 1875 O O . ALA A 1 238 ? -46.616 21.156 17.007 1.00 14.08 ? 236 ALA A O 1 ATOM 1876 C CB . ALA A 1 238 ? -45.519 24.135 17.833 1.00 13.32 ? 236 ALA A CB 1 ATOM 1877 N N . ARG A 1 239 ? -48.283 22.595 17.428 1.00 13.71 ? 237 ARG A N 1 ATOM 1878 C CA . ARG A 1 239 ? -49.226 21.570 17.865 1.00 14.98 ? 237 ARG A CA 1 ATOM 1879 C C . ARG A 1 239 ? -49.584 20.623 16.719 1.00 14.84 ? 237 ARG A C 1 ATOM 1880 O O . ARG A 1 239 ? -49.521 19.400 16.867 1.00 15.00 ? 237 ARG A O 1 ATOM 1881 C CB . ARG A 1 239 ? -50.503 22.192 18.413 1.00 15.12 ? 237 ARG A CB 1 ATOM 1882 C CG . ARG A 1 239 ? -51.397 21.209 19.151 1.00 18.28 ? 237 ARG A CG 1 ATOM 1883 C CD . ARG A 1 239 ? -52.795 21.772 19.338 1.00 22.60 ? 237 ARG A CD 1 ATOM 1884 N NE . ARG A 1 239 ? -53.468 22.041 18.063 1.00 25.65 ? 237 ARG A NE 1 ATOM 1885 C CZ . ARG A 1 239 ? -54.048 21.112 17.301 1.00 29.23 ? 237 ARG A CZ 1 ATOM 1886 N NH1 . ARG A 1 239 ? -54.043 19.830 17.675 1.00 28.07 ? 237 ARG A NH1 1 ATOM 1887 N NH2 . ARG A 1 239 ? -54.628 21.463 16.156 1.00 29.06 ? 237 ARG A NH2 1 ATOM 1888 N N . ILE A 1 240 ? -49.994 21.198 15.596 1.00 14.27 ? 238 ILE A N 1 ATOM 1889 C CA . ILE A 1 240 ? -50.333 20.413 14.415 1.00 13.97 ? 238 ILE A CA 1 ATOM 1890 C C . ILE A 1 240 ? -49.150 19.536 13.971 1.00 14.04 ? 238 ILE A C 1 ATOM 1891 O O . ILE A 1 240 ? -49.314 18.321 13.826 1.00 14.71 ? 238 ILE A O 1 ATOM 1892 C CB . ILE A 1 240 ? -50.844 21.315 13.243 1.00 13.83 ? 238 ILE A CB 1 ATOM 1893 C CG1 . ILE A 1 240 ? -52.183 21.969 13.608 1.00 12.06 ? 238 ILE A CG1 1 ATOM 1894 C CG2 . ILE A 1 240 ? -51.031 20.490 11.977 1.00 13.71 ? 238 ILE A CG2 1 ATOM 1895 C CD1 . ILE A 1 240 ? -52.555 23.185 12.722 1.00 14.24 ? 238 ILE A CD1 1 ATOM 1896 N N . VAL A 1 241 ? -47.976 20.141 13.769 1.00 13.79 ? 239 VAL A N 1 ATOM 1897 C CA . VAL A 1 241 ? -46.800 19.422 13.264 1.00 14.32 ? 239 VAL A CA 1 ATOM 1898 C C . VAL A 1 241 ? -46.337 18.293 14.207 1.00 15.36 ? 239 VAL A C 1 ATOM 1899 O O . VAL A 1 241 ? -46.090 17.168 13.765 1.00 14.55 ? 239 VAL A O 1 ATOM 1900 C CB . VAL A 1 241 ? -45.617 20.382 12.909 1.00 14.24 ? 239 VAL A CB 1 ATOM 1901 C CG1 . VAL A 1 241 ? -44.323 19.590 12.595 1.00 14.79 ? 239 VAL A CG1 1 ATOM 1902 C CG2 . VAL A 1 241 ? -45.979 21.226 11.685 1.00 14.61 ? 239 VAL A CG2 1 ATOM 1903 N N . GLY A 1 242 ? -46.242 18.594 15.499 1.00 15.89 ? 240 GLY A N 1 ATOM 1904 C CA . GLY A 1 242 ? -45.516 17.708 16.403 1.00 17.49 ? 240 GLY A CA 1 ATOM 1905 C C . GLY A 1 242 ? -46.364 17.044 17.468 1.00 18.44 ? 240 GLY A C 1 ATOM 1906 O O . GLY A 1 242 ? -45.955 16.045 18.042 1.00 19.29 ? 240 GLY A O 1 ATOM 1907 N N . ASN A 1 243 ? -47.547 17.572 17.735 1.00 19.12 ? 241 ASN A N 1 ATOM 1908 C CA . ASN A 1 243 ? -48.322 17.075 18.873 1.00 19.79 ? 241 ASN A CA 1 ATOM 1909 C C . ASN A 1 243 ? -49.728 16.616 18.547 1.00 19.55 ? 241 ASN A C 1 ATOM 1910 O O . ASN A 1 243 ? -50.599 16.631 19.427 1.00 20.24 ? 241 ASN A O 1 ATOM 1911 C CB . ASN A 1 243 ? -48.392 18.149 19.964 1.00 21.16 ? 241 ASN A CB 1 ATOM 1912 C CG . ASN A 1 243 ? -47.053 18.428 20.594 1.00 24.45 ? 241 ASN A CG 1 ATOM 1913 O OD1 . ASN A 1 243 ? -46.886 19.440 21.280 1.00 32.72 ? 241 ASN A OD1 1 ATOM 1914 N ND2 . ASN A 1 243 ? -46.090 17.531 20.388 1.00 26.87 ? 241 ASN A ND2 1 ATOM 1915 N N . SER A 1 244 ? -49.951 16.186 17.306 1.00 18.03 ? 242 SER A N 1 ATOM 1916 C CA . SER A 1 244 ? -51.306 15.877 16.857 1.00 17.08 ? 242 SER A CA 1 ATOM 1917 C C . SER A 1 244 ? -51.490 14.484 16.203 1.00 16.02 ? 242 SER A C 1 ATOM 1918 O O . SER A 1 244 ? -52.594 14.136 15.788 1.00 16.42 ? 242 SER A O 1 ATOM 1919 C CB . SER A 1 244 ? -51.829 16.999 15.947 1.00 17.50 ? 242 SER A CB 1 ATOM 1920 O OG . SER A 1 244 ? -51.383 16.828 14.613 1.00 19.47 ? 242 SER A OG 1 ATOM 1921 N N . GLY A 1 245 ? -50.426 13.696 16.121 1.00 14.12 ? 243 GLY A N 1 ATOM 1922 C CA . GLY A 1 245 ? -50.518 12.348 15.529 1.00 12.39 ? 243 GLY A CA 1 ATOM 1923 C C . GLY A 1 245 ? -49.867 12.201 14.162 1.00 11.31 ? 243 GLY A C 1 ATOM 1924 O O . GLY A 1 245 ? -49.857 11.123 13.579 1.00 11.77 ? 243 GLY A O 1 ATOM 1925 N N . LEU A 1 246 ? -49.333 13.295 13.645 1.00 9.85 ? 244 LEU A N 1 ATOM 1926 C CA . LEU A 1 246 ? -48.494 13.224 12.453 1.00 9.73 ? 244 LEU A CA 1 ATOM 1927 C C . LEU A 1 246 ? -47.119 12.735 12.886 1.00 9.31 ? 244 LEU A C 1 ATOM 1928 O O . LEU A 1 246 ? -46.662 13.065 13.988 1.00 9.61 ? 244 LEU A O 1 ATOM 1929 C CB . LEU A 1 246 ? -48.379 14.603 11.812 1.00 9.35 ? 244 LEU A CB 1 ATOM 1930 C CG . LEU A 1 246 ? -49.631 15.234 11.195 1.00 10.48 ? 244 LEU A CG 1 ATOM 1931 C CD1 . LEU A 1 246 ? -49.323 16.670 10.693 1.00 9.92 ? 244 LEU A CD1 1 ATOM 1932 C CD2 . LEU A 1 246 ? -50.238 14.387 10.067 1.00 9.30 ? 244 LEU A CD2 1 ATOM 1933 N N . ASN A 1 247 ? -46.495 11.928 12.043 1.00 9.01 ? 245 ASN A N 1 ATOM 1934 C CA . ASN A 1 247 ? -45.124 11.476 12.235 1.00 10.10 ? 245 ASN A CA 1 ATOM 1935 C C . ASN A 1 247 ? -44.177 12.565 11.764 1.00 9.46 ? 245 ASN A C 1 ATOM 1936 O O . ASN A 1 247 ? -44.067 12.822 10.566 1.00 9.35 ? 245 ASN A O 1 ATOM 1937 C CB . ASN A 1 247 ? -44.872 10.176 11.453 1.00 10.04 ? 245 ASN A CB 1 ATOM 1938 C CG . ASN A 1 247 ? -43.551 9.526 11.802 1.00 10.93 ? 245 ASN A CG 1 ATOM 1939 O OD1 . ASN A 1 247 ? -42.583 10.201 12.131 1.00 10.43 ? 245 ASN A OD1 1 ATOM 1940 N ND2 . ASN A 1 247 ? -43.506 8.202 11.722 1.00 10.13 ? 245 ASN A ND2 1 ATOM 1941 N N . ILE A 1 248 ? -43.493 13.198 12.713 1.00 9.11 ? 246 ILE A N 1 ATOM 1942 C CA . ILE A 1 248 ? -42.634 14.339 12.392 1.00 10.66 ? 246 ILE A CA 1 ATOM 1943 C C . ILE A 1 248 ? -41.421 13.932 11.552 1.00 9.95 ? 246 ILE A C 1 ATOM 1944 O O . ILE A 1 248 ? -40.859 14.763 10.805 1.00 9.54 ? 246 ILE A O 1 ATOM 1945 C CB . ILE A 1 248 ? -42.217 15.147 13.676 1.00 10.55 ? 246 ILE A CB 1 ATOM 1946 C CG1 . ILE A 1 248 ? -41.905 16.599 13.308 1.00 13.19 ? 246 ILE A CG1 1 ATOM 1947 C CG2 . ILE A 1 248 ? -41.073 14.458 14.420 1.00 11.26 ? 246 ILE A CG2 1 ATOM 1948 C CD1 . ILE A 1 248 ? -41.391 17.481 14.507 1.00 13.77 ? 246 ILE A CD1 1 ATOM 1949 N N . TYR A 1 249 ? -41.045 12.653 11.642 1.00 9.27 ? 247 TYR A N 1 ATOM 1950 C CA . TYR A 1 249 ? -39.868 12.138 10.947 1.00 10.03 ? 247 TYR A CA 1 ATOM 1951 C C . TYR A 1 249 ? -40.183 11.731 9.505 1.00 9.79 ? 247 TYR A C 1 ATOM 1952 O O . TYR A 1 249 ? -39.291 11.666 8.644 1.00 10.40 ? 247 TYR A O 1 ATOM 1953 C CB . TYR A 1 249 ? -39.238 10.989 11.743 1.00 11.16 ? 247 TYR A CB 1 ATOM 1954 C CG . TYR A 1 249 ? -38.863 11.411 13.156 1.00 12.66 ? 247 TYR A CG 1 ATOM 1955 C CD1 . TYR A 1 249 ? -37.872 12.380 13.380 1.00 11.86 ? 247 TYR A CD1 1 ATOM 1956 C CD2 . TYR A 1 249 ? -39.511 10.859 14.268 1.00 16.62 ? 247 TYR A CD2 1 ATOM 1957 C CE1 . TYR A 1 249 ? -37.520 12.774 14.679 1.00 15.30 ? 247 TYR A CE1 1 ATOM 1958 C CE2 . TYR A 1 249 ? -39.155 11.261 15.598 1.00 15.99 ? 247 TYR A CE2 1 ATOM 1959 C CZ . TYR A 1 249 ? -38.163 12.203 15.774 1.00 16.41 ? 247 TYR A CZ 1 ATOM 1960 O OH . TYR A 1 249 ? -37.826 12.594 17.065 1.00 18.67 ? 247 TYR A OH 1 ATOM 1961 N N . ASN A 1 250 ? -41.457 11.507 9.218 1.00 9.49 ? 248 ASN A N 1 ATOM 1962 C CA . ASN A 1 250 ? -41.883 11.171 7.857 1.00 9.46 ? 248 ASN A CA 1 ATOM 1963 C C . ASN A 1 250 ? -43.365 11.450 7.753 1.00 9.48 ? 248 ASN A C 1 ATOM 1964 O O . ASN A 1 250 ? -44.192 10.686 8.277 1.00 9.57 ? 248 ASN A O 1 ATOM 1965 C CB . ASN A 1 250 ? -41.589 9.693 7.559 1.00 9.67 ? 248 ASN A CB 1 ATOM 1966 C CG . ASN A 1 250 ? -41.842 9.329 6.102 1.00 11.43 ? 248 ASN A CG 1 ATOM 1967 O OD1 . ASN A 1 250 ? -42.804 9.802 5.487 1.00 10.30 ? 248 ASN A OD1 1 ATOM 1968 N ND2 . ASN A 1 250 ? -40.973 8.479 5.545 1.00 11.08 ? 248 ASN A ND2 1 ATOM 1969 N N . LEU A 1 251 ? -43.695 12.557 7.093 1.00 9.28 ? 249 LEU A N 1 ATOM 1970 C CA . LEU A 1 251 ? -45.060 13.022 7.051 1.00 9.64 ? 249 LEU A CA 1 ATOM 1971 C C . LEU A 1 251 ? -46.042 11.964 6.512 1.00 10.13 ? 249 LEU A C 1 ATOM 1972 O O . LEU A 1 251 ? -47.187 11.887 6.966 1.00 9.69 ? 249 LEU A O 1 ATOM 1973 C CB . LEU A 1 251 ? -45.153 14.332 6.256 1.00 9.57 ? 249 LEU A CB 1 ATOM 1974 C CG . LEU A 1 251 ? -46.541 14.922 6.023 1.00 9.23 ? 249 LEU A CG 1 ATOM 1975 C CD1 . LEU A 1 251 ? -47.308 15.201 7.339 1.00 10.03 ? 249 LEU A CD1 1 ATOM 1976 C CD2 . LEU A 1 251 ? -46.424 16.173 5.167 1.00 9.28 ? 249 LEU A CD2 1 ATOM 1977 N N . TYR A 1 252 ? -45.585 11.151 5.565 1.00 10.66 ? 250 TYR A N 1 ATOM 1978 C CA . TYR A 1 252 ? -46.467 10.144 4.928 1.00 11.47 ? 250 TYR A CA 1 ATOM 1979 C C . TYR A 1 252 ? -46.458 8.739 5.545 1.00 12.53 ? 250 TYR A C 1 ATOM 1980 O O . TYR A 1 252 ? -47.171 7.829 5.075 1.00 12.93 ? 250 TYR A O 1 ATOM 1981 C CB . TYR A 1 252 ? -46.210 10.128 3.426 1.00 11.53 ? 250 TYR A CB 1 ATOM 1982 C CG . TYR A 1 252 ? -46.311 11.520 2.877 1.00 11.66 ? 250 TYR A CG 1 ATOM 1983 C CD1 . TYR A 1 252 ? -47.546 12.167 2.809 1.00 11.42 ? 250 TYR A CD1 1 ATOM 1984 C CD2 . TYR A 1 252 ? -45.170 12.225 2.480 1.00 11.50 ? 250 TYR A CD2 1 ATOM 1985 C CE1 . TYR A 1 252 ? -47.657 13.464 2.326 1.00 10.82 ? 250 TYR A CE1 1 ATOM 1986 C CE2 . TYR A 1 252 ? -45.267 13.549 1.995 1.00 10.26 ? 250 TYR A CE2 1 ATOM 1987 C CZ . TYR A 1 252 ? -46.519 14.154 1.935 1.00 10.55 ? 250 TYR A CZ 1 ATOM 1988 O OH . TYR A 1 252 ? -46.632 15.436 1.473 1.00 12.04 ? 250 TYR A OH 1 ATOM 1989 N N . ALA A 1 253 ? -45.694 8.574 6.621 1.00 13.05 ? 251 ALA A N 1 ATOM 1990 C CA . ALA A 1 253 ? -45.665 7.325 7.394 1.00 13.10 ? 251 ALA A CA 1 ATOM 1991 C C . ALA A 1 253 ? -46.725 7.345 8.504 1.00 13.74 ? 251 ALA A C 1 ATOM 1992 O O . ALA A 1 253 ? -47.118 8.419 8.970 1.00 13.78 ? 251 ALA A O 1 ATOM 1993 C CB . ALA A 1 253 ? -44.266 7.129 8.012 1.00 12.98 ? 251 ALA A CB 1 ATOM 1994 N N . PRO A 1 254 ? -47.172 6.150 8.945 1.00 13.89 ? 252 PRO A N 1 ATOM 1995 C CA . PRO A 1 254 ? -48.046 6.102 10.106 1.00 14.03 ? 252 PRO A CA 1 ATOM 1996 C C . PRO A 1 254 ? -47.297 6.525 11.374 1.00 13.90 ? 252 PRO A C 1 ATOM 1997 O O . PRO A 1 254 ? -46.061 6.506 11.409 1.00 13.20 ? 252 PRO A O 1 ATOM 1998 C CB . PRO A 1 254 ? -48.477 4.623 10.187 1.00 14.47 ? 252 PRO A CB 1 ATOM 1999 C CG . PRO A 1 254 ? -47.604 3.870 9.260 1.00 15.02 ? 252 PRO A CG 1 ATOM 2000 C CD . PRO A 1 254 ? -46.861 4.811 8.387 1.00 13.44 ? 252 PRO A CD 1 ATOM 2001 N N . CYS A 1 255 ? -48.047 6.944 12.383 1.00 15.25 ? 253 CYS A N 1 ATOM 2002 C CA . CYS A 1 255 ? -47.499 7.220 13.704 1.00 15.29 ? 253 CYS A CA 1 ATOM 2003 C C . CYS A 1 255 ? -47.564 5.931 14.519 1.00 15.52 ? 253 CYS A C 1 ATOM 2004 O O . CYS A 1 255 ? -48.653 5.410 14.789 1.00 14.98 ? 253 CYS A O 1 ATOM 2005 C CB . CYS A 1 255 ? -48.312 8.340 14.370 1.00 15.50 ? 253 CYS A CB 1 ATOM 2006 S SG . CYS A 1 255 ? -47.826 8.771 16.056 1.00 17.58 ? 253 CYS A SG 1 ATOM 2007 N N . ALA A 1 256 ? -46.405 5.401 14.907 1.00 16.58 ? 254 ALA A N 1 ATOM 2008 C CA . ALA A 1 256 ? -46.367 4.125 15.637 1.00 17.45 ? 254 ALA A CA 1 ATOM 2009 C C . ALA A 1 256 ? -47.136 4.264 16.928 1.00 18.33 ? 254 ALA A C 1 ATOM 2010 O O . ALA A 1 256 ? -46.927 5.209 17.690 1.00 18.87 ? 254 ALA A O 1 ATOM 2011 C CB . ALA A 1 256 ? -44.921 3.667 15.905 1.00 17.01 ? 254 ALA A CB 1 ATOM 2012 N N . GLY A 1 257 ? -48.066 3.341 17.140 1.00 19.82 ? 255 GLY A N 1 ATOM 2013 C CA . GLY A 1 257 ? -48.962 3.386 18.293 1.00 20.32 ? 255 GLY A CA 1 ATOM 2014 C C . GLY A 1 257 ? -50.243 4.196 18.125 1.00 21.28 ? 255 GLY A C 1 ATOM 2015 O O . GLY A 1 257 ? -51.062 4.248 19.045 1.00 20.99 ? 255 GLY A O 1 ATOM 2016 N N . GLY A 1 258 ? -50.413 4.840 16.966 1.00 21.46 ? 256 GLY A N 1 ATOM 2017 C CA . GLY A 1 258 ? -51.624 5.604 16.663 1.00 22.47 ? 256 GLY A CA 1 ATOM 2018 C C . GLY A 1 258 ? -51.682 7.026 17.200 1.00 23.49 ? 256 GLY A C 1 ATOM 2019 O O . GLY A 1 258 ? -50.801 7.466 17.961 1.00 22.35 ? 256 GLY A O 1 ATOM 2020 N N . VAL A 1 259 ? -52.729 7.744 16.796 1.00 24.52 ? 257 VAL A N 1 ATOM 2021 C CA . VAL A 1 259 ? -52.964 9.124 17.234 1.00 26.81 ? 257 VAL A CA 1 ATOM 2022 C C . VAL A 1 259 ? -53.247 9.180 18.751 1.00 29.13 ? 257 VAL A C 1 ATOM 2023 O O . VAL A 1 259 ? -54.058 8.397 19.256 1.00 28.76 ? 257 VAL A O 1 ATOM 2024 C CB . VAL A 1 259 ? -54.102 9.785 16.411 1.00 26.53 ? 257 VAL A CB 1 ATOM 2025 C CG1 . VAL A 1 259 ? -54.380 11.214 16.894 1.00 27.51 ? 257 VAL A CG1 1 ATOM 2026 C CG2 . VAL A 1 259 ? -53.736 9.802 14.935 1.00 25.59 ? 257 VAL A CG2 1 ATOM 2027 N N . PRO A 1 260 ? -52.571 10.104 19.472 1.00 31.60 ? 258 PRO A N 1 ATOM 2028 C CA . PRO A 1 260 ? -52.646 10.244 20.939 1.00 33.30 ? 258 PRO A CA 1 ATOM 2029 C C . PRO A 1 260 ? -54.026 10.674 21.439 1.00 34.66 ? 258 PRO A C 1 ATOM 2030 O O . PRO A 1 260 ? -54.810 11.268 20.679 1.00 35.02 ? 258 PRO A O 1 ATOM 2031 C CB . PRO A 1 260 ? -51.628 11.355 21.231 1.00 33.46 ? 258 PRO A CB 1 ATOM 2032 C CG . PRO A 1 260 ? -51.634 12.191 19.940 1.00 33.30 ? 258 PRO A CG 1 ATOM 2033 C CD . PRO A 1 260 ? -51.669 11.116 18.886 1.00 31.93 ? 258 PRO A CD 1 ATOM 2034 N N . SER A 1 261 ? -54.302 10.367 22.712 1.00 35.88 ? 259 SER A N 1 ATOM 2035 C CA . SER A 1 261 ? -55.556 10.741 23.385 1.00 36.94 ? 259 SER A CA 1 ATOM 2036 C C . SER A 1 261 ? -55.757 12.256 23.495 1.00 36.99 ? 259 SER A C 1 ATOM 2037 O O . SER A 1 261 ? -54.796 13.016 23.632 1.00 37.78 ? 259 SER A O 1 ATOM 2038 C CB . SER A 1 261 ? -55.601 10.131 24.785 1.00 37.25 ? 259 SER A CB 1 ATOM 2039 O OG . SER A 1 261 ? -55.203 8.772 24.771 1.00 38.81 ? 259 SER A OG 1 ATOM 2040 N N . ASP A 1 302 ? -39.414 6.349 23.803 1.00 33.82 ? 300 ASP A N 1 ATOM 2041 C CA . ASP A 1 302 ? -39.505 6.581 22.360 1.00 33.26 ? 300 ASP A CA 1 ATOM 2042 C C . ASP A 1 302 ? -40.119 7.952 22.092 1.00 32.71 ? 300 ASP A C 1 ATOM 2043 O O . ASP A 1 302 ? -41.211 8.225 22.591 1.00 32.85 ? 300 ASP A O 1 ATOM 2044 C CB . ASP A 1 302 ? -40.356 5.475 21.683 1.00 33.40 ? 300 ASP A CB 1 ATOM 2045 C CG . ASP A 1 302 ? -39.581 4.158 21.470 1.00 33.57 ? 300 ASP A CG 1 ATOM 2046 O OD1 . ASP A 1 302 ? -38.343 4.163 21.637 1.00 34.50 ? 300 ASP A OD1 1 ATOM 2047 O OD2 . ASP A 1 302 ? -40.207 3.119 21.132 1.00 32.92 ? 300 ASP A OD2 1 ATOM 2048 N N . PRO A 1 303 ? -39.435 8.817 21.295 1.00 32.13 ? 301 PRO A N 1 ATOM 2049 C CA . PRO A 1 303 ? -40.093 10.054 20.841 1.00 31.39 ? 301 PRO A CA 1 ATOM 2050 C C . PRO A 1 303 ? -41.400 9.677 20.135 1.00 30.43 ? 301 PRO A C 1 ATOM 2051 O O . PRO A 1 303 ? -41.454 8.582 19.543 1.00 30.54 ? 301 PRO A O 1 ATOM 2052 C CB . PRO A 1 303 ? -39.097 10.640 19.823 1.00 31.57 ? 301 PRO A CB 1 ATOM 2053 C CG . PRO A 1 303 ? -38.141 9.545 19.518 1.00 31.90 ? 301 PRO A CG 1 ATOM 2054 C CD . PRO A 1 303 ? -38.071 8.706 20.754 1.00 31.90 ? 301 PRO A CD 1 ATOM 2055 N N . PRO A 1 304 ? -42.446 10.548 20.207 1.00 28.92 ? 302 PRO A N 1 ATOM 2056 C CA . PRO A 1 304 ? -43.761 10.197 19.634 1.00 27.60 ? 302 PRO A CA 1 ATOM 2057 C C . PRO A 1 304 ? -43.629 9.589 18.233 1.00 25.68 ? 302 PRO A C 1 ATOM 2058 O O . PRO A 1 304 ? -42.709 9.945 17.496 1.00 25.11 ? 302 PRO A O 1 ATOM 2059 C CB . PRO A 1 304 ? -44.493 11.544 19.559 1.00 27.63 ? 302 PRO A CB 1 ATOM 2060 C CG . PRO A 1 304 ? -43.875 12.375 20.655 1.00 29.39 ? 302 PRO A CG 1 ATOM 2061 C CD . PRO A 1 304 ? -42.454 11.887 20.843 1.00 29.27 ? 302 PRO A CD 1 ATOM 2062 N N . CYS A 1 305 ? -44.529 8.662 17.903 1.00 23.41 ? 303 CYS A N 1 ATOM 2063 C CA . CYS A 1 305 ? -44.614 8.042 16.570 1.00 21.26 ? 303 CYS A CA 1 ATOM 2064 C C . CYS A 1 305 ? -43.487 7.084 16.143 1.00 20.93 ? 303 CYS A C 1 ATOM 2065 O O . CYS A 1 305 ? -43.537 6.538 15.046 1.00 19.74 ? 303 CYS A O 1 ATOM 2066 C CB . CYS A 1 305 ? -44.859 9.107 15.487 1.00 20.22 ? 303 CYS A CB 1 ATOM 2067 S SG . CYS A 1 305 ? -46.314 10.116 15.839 1.00 18.09 ? 303 CYS A SG 1 ATOM 2068 N N . THR A 1 306 ? -42.488 6.886 17.005 1.00 20.58 ? 304 THR A N 1 ATOM 2069 C CA . THR A 1 306 ? -41.377 5.994 16.680 1.00 20.45 ? 304 THR A CA 1 ATOM 2070 C C . THR A 1 306 ? -41.445 4.754 17.556 1.00 20.15 ? 304 THR A C 1 ATOM 2071 O O . THR A 1 306 ? -42.075 4.765 18.612 1.00 21.30 ? 304 THR A O 1 ATOM 2072 C CB . THR A 1 306 ? -40.012 6.657 16.888 1.00 20.90 ? 304 THR A CB 1 ATOM 2073 O OG1 . THR A 1 306 ? -39.852 6.987 18.276 1.00 21.92 ? 304 THR A OG1 1 ATOM 2074 C CG2 . THR A 1 306 ? -39.875 7.908 16.037 1.00 20.06 ? 304 THR A CG2 1 ATOM 2075 N N . ASN A 1 307 ? -40.829 3.680 17.092 1.00 19.24 ? 305 ASN A N 1 ATOM 2076 C CA . ASN A 1 307 ? -40.881 2.409 17.789 1.00 18.42 ? 305 ASN A CA 1 ATOM 2077 C C . ASN A 1 307 ? -39.512 1.775 17.627 1.00 17.39 ? 305 ASN A C 1 ATOM 2078 O O . ASN A 1 307 ? -39.128 1.404 16.525 1.00 16.95 ? 305 ASN A O 1 ATOM 2079 C CB . ASN A 1 307 ? -41.985 1.525 17.178 1.00 18.64 ? 305 ASN A CB 1 ATOM 2080 C CG . ASN A 1 307 ? -42.090 0.150 17.841 1.00 19.33 ? 305 ASN A CG 1 ATOM 2081 O OD1 . ASN A 1 307 ? -41.403 -0.126 18.823 1.00 20.28 ? 305 ASN A OD1 1 ATOM 2082 N ND2 . ASN A 1 307 ? -42.982 -0.704 17.309 1.00 20.41 ? 305 ASN A ND2 1 ATOM 2083 N N . THR A 1 308 ? -38.782 1.672 18.733 1.00 17.26 ? 306 THR A N 1 ATOM 2084 C CA . THR A 1 308 ? -37.409 1.191 18.735 1.00 16.92 ? 306 THR A CA 1 ATOM 2085 C C . THR A 1 308 ? -37.298 -0.166 19.434 1.00 15.82 ? 306 THR A C 1 ATOM 2086 O O . THR A 1 308 ? -36.204 -0.561 19.862 1.00 14.55 ? 306 THR A O 1 ATOM 2087 C CB . THR A 1 308 ? -36.481 2.199 19.478 1.00 16.96 ? 306 THR A CB 1 ATOM 2088 O OG1 . THR A 1 308 ? -36.912 2.310 20.840 1.00 19.31 ? 306 THR A OG1 1 ATOM 2089 C CG2 . THR A 1 308 ? -36.556 3.550 18.837 1.00 18.43 ? 306 THR A CG2 1 ATOM 2090 N N . THR A 1 309 ? -38.427 -0.863 19.554 1.00 14.42 ? 307 THR A N 1 ATOM 2091 C CA . THR A 1 309 ? -38.501 -2.108 20.321 1.00 14.72 ? 307 THR A CA 1 ATOM 2092 C C . THR A 1 309 ? -37.622 -3.216 19.734 1.00 13.70 ? 307 THR A C 1 ATOM 2093 O O . THR A 1 309 ? -36.993 -3.963 20.481 1.00 14.19 ? 307 THR A O 1 ATOM 2094 C CB . THR A 1 309 ? -39.982 -2.559 20.480 1.00 15.18 ? 307 THR A CB 1 ATOM 2095 O OG1 . THR A 1 309 ? -40.631 -1.689 21.423 1.00 16.53 ? 307 THR A OG1 1 ATOM 2096 C CG2 . THR A 1 309 ? -40.103 -4.033 20.950 1.00 16.08 ? 307 THR A CG2 1 ATOM 2097 N N . ALA A 1 310 ? -37.558 -3.299 18.408 1.00 12.26 ? 308 ALA A N 1 ATOM 2098 C CA . ALA A 1 310 ? -36.764 -4.348 17.743 1.00 11.79 ? 308 ALA A CA 1 ATOM 2099 C C . ALA A 1 310 ? -35.273 -4.239 18.073 1.00 11.25 ? 308 ALA A C 1 ATOM 2100 O O . ALA A 1 310 ? -34.672 -5.200 18.573 1.00 10.36 ? 308 ALA A O 1 ATOM 2101 C CB . ALA A 1 310 ? -37.001 -4.342 16.246 1.00 11.76 ? 308 ALA A CB 1 ATOM 2102 N N . ALA A 1 311 ? -34.689 -3.059 17.850 1.00 11.47 ? 309 ALA A N 1 ATOM 2103 C CA . ALA A 1 311 ? -33.291 -2.795 18.243 1.00 11.87 ? 309 ALA A CA 1 ATOM 2104 C C . ALA A 1 311 ? -33.058 -2.985 19.737 1.00 11.82 ? 309 ALA A C 1 ATOM 2105 O O . ALA A 1 311 ? -32.046 -3.548 20.148 1.00 11.89 ? 309 ALA A O 1 ATOM 2106 C CB . ALA A 1 311 ? -32.852 -1.375 17.809 1.00 11.93 ? 309 ALA A CB 1 ATOM 2107 N N . SER A 1 312 ? -33.994 -2.525 20.566 1.00 12.87 ? 310 SER A N 1 ATOM 2108 C CA . SER A 1 312 ? -33.824 -2.630 22.006 1.00 13.12 ? 310 SER A CA 1 ATOM 2109 C C . SER A 1 312 ? -33.894 -4.086 22.476 1.00 12.45 ? 310 SER A C 1 ATOM 2110 O O . SER A 1 312 ? -33.115 -4.508 23.318 1.00 12.45 ? 310 SER A O 1 ATOM 2111 C CB . SER A 1 312 ? -34.860 -1.763 22.747 1.00 13.88 ? 310 SER A CB 1 ATOM 2112 O OG . SER A 1 312 ? -34.682 -1.981 24.132 1.00 19.03 ? 310 SER A OG 1 ATOM 2113 N N . THR A 1 313 ? -34.822 -4.850 21.914 1.00 11.56 ? 311 THR A N 1 ATOM 2114 C CA . THR A 1 313 ? -34.953 -6.276 22.206 1.00 11.32 ? 311 THR A CA 1 ATOM 2115 C C . THR A 1 313 ? -33.675 -7.044 21.873 1.00 11.10 ? 311 THR A C 1 ATOM 2116 O O . THR A 1 313 ? -33.183 -7.876 22.670 1.00 10.97 ? 311 THR A O 1 ATOM 2117 C CB . THR A 1 313 ? -36.170 -6.881 21.452 1.00 11.40 ? 311 THR A CB 1 ATOM 2118 O OG1 . THR A 1 313 ? -37.371 -6.287 21.970 1.00 12.62 ? 311 THR A OG1 1 ATOM 2119 C CG2 . THR A 1 313 ? -36.263 -8.416 21.647 1.00 11.56 ? 311 THR A CG2 1 ATOM 2120 N N . TYR A 1 314 ? -33.146 -6.750 20.699 1.00 9.87 ? 312 TYR A N 1 ATOM 2121 C CA . TYR A 1 314 ? -31.948 -7.397 20.222 1.00 10.39 ? 312 TYR A CA 1 ATOM 2122 C C . TYR A 1 314 ? -30.756 -7.087 21.130 1.00 10.77 ? 312 TYR A C 1 ATOM 2123 O O . TYR A 1 314 ? -30.119 -8.007 21.677 1.00 10.72 ? 312 TYR A O 1 ATOM 2124 C CB . TYR A 1 314 ? -31.671 -7.012 18.754 1.00 10.21 ? 312 TYR A CB 1 ATOM 2125 C CG . TYR A 1 314 ? -30.416 -7.678 18.254 1.00 11.28 ? 312 TYR A CG 1 ATOM 2126 C CD1 . TYR A 1 314 ? -30.431 -9.026 17.879 1.00 13.39 ? 312 TYR A CD1 1 ATOM 2127 C CD2 . TYR A 1 314 ? -29.208 -6.993 18.227 1.00 11.60 ? 312 TYR A CD2 1 ATOM 2128 C CE1 . TYR A 1 314 ? -29.265 -9.658 17.461 1.00 13.69 ? 312 TYR A CE1 1 ATOM 2129 C CE2 . TYR A 1 314 ? -28.037 -7.616 17.815 1.00 13.09 ? 312 TYR A CE2 1 ATOM 2130 C CZ . TYR A 1 314 ? -28.080 -8.939 17.435 1.00 11.99 ? 312 TYR A CZ 1 ATOM 2131 O OH . TYR A 1 314 ? -26.927 -9.563 17.054 1.00 12.25 ? 312 TYR A OH 1 ATOM 2132 N N . LEU A 1 315 ? -30.494 -5.797 21.310 1.00 10.45 ? 313 LEU A N 1 ATOM 2133 C CA . LEU A 1 315 ? -29.330 -5.321 22.040 1.00 10.65 ? 313 LEU A CA 1 ATOM 2134 C C . LEU A 1 315 ? -29.308 -5.668 23.517 1.00 11.55 ? 313 LEU A C 1 ATOM 2135 O O . LEU A 1 315 ? -28.225 -5.817 24.102 1.00 11.16 ? 313 LEU A O 1 ATOM 2136 C CB . LEU A 1 315 ? -29.133 -3.816 21.818 1.00 10.24 ? 313 LEU A CB 1 ATOM 2137 C CG . LEU A 1 315 ? -28.611 -3.514 20.408 1.00 8.95 ? 313 LEU A CG 1 ATOM 2138 C CD1 . LEU A 1 315 ? -28.529 -2.007 20.176 1.00 6.76 ? 313 LEU A CD1 1 ATOM 2139 C CD2 . LEU A 1 315 ? -27.273 -4.203 20.111 1.00 7.20 ? 313 LEU A CD2 1 ATOM 2140 N N . ASN A 1 316 ? -30.495 -5.823 24.115 1.00 12.15 ? 314 ASN A N 1 ATOM 2141 C CA . ASN A 1 316 ? -30.591 -6.217 25.515 1.00 12.27 ? 314 ASN A CA 1 ATOM 2142 C C . ASN A 1 316 ? -30.521 -7.715 25.778 1.00 13.59 ? 314 ASN A C 1 ATOM 2143 O O . ASN A 1 316 ? -30.568 -8.138 26.933 1.00 13.88 ? 314 ASN A O 1 ATOM 2144 C CB . ASN A 1 316 ? -31.833 -5.614 26.171 1.00 12.32 ? 314 ASN A CB 1 ATOM 2145 C CG . ASN A 1 316 ? -31.631 -4.164 26.527 1.00 11.07 ? 314 ASN A CG 1 ATOM 2146 O OD1 . ASN A 1 316 ? -30.766 -3.831 27.345 1.00 13.54 ? 314 ASN A OD1 1 ATOM 2147 N ND2 . ASN A 1 316 ? -32.387 -3.286 25.888 1.00 12.00 ? 314 ASN A ND2 1 ATOM 2148 N N . ASN A 1 317 ? -30.422 -8.507 24.714 1.00 13.62 ? 315 ASN A N 1 ATOM 2149 C CA . ASN A 1 317 ? -30.139 -9.961 24.820 1.00 14.59 ? 315 ASN A CA 1 ATOM 2150 C C . ASN A 1 317 ? -28.745 -10.135 25.480 1.00 14.41 ? 315 ASN A C 1 ATOM 2151 O O . ASN A 1 317 ? -27.754 -9.595 24.968 1.00 14.35 ? 315 ASN A O 1 ATOM 2152 C CB . ASN A 1 317 ? -30.235 -10.575 23.408 1.00 14.54 ? 315 ASN A CB 1 ATOM 2153 C CG . ASN A 1 317 ? -29.827 -12.059 23.326 1.00 16.76 ? 315 ASN A CG 1 ATOM 2154 O OD1 . ASN A 1 317 ? -29.194 -12.611 24.205 1.00 15.58 ? 315 ASN A OD1 1 ATOM 2155 N ND2 . ASN A 1 317 ? -30.185 -12.693 22.210 1.00 21.12 ? 315 ASN A ND2 1 ATOM 2156 N N . PRO A 1 318 ? -28.672 -10.833 26.648 1.00 14.47 ? 316 PRO A N 1 ATOM 2157 C CA . PRO A 1 318 ? -27.364 -10.978 27.309 1.00 14.37 ? 316 PRO A CA 1 ATOM 2158 C C . PRO A 1 318 ? -26.278 -11.600 26.412 1.00 13.64 ? 316 PRO A C 1 ATOM 2159 O O . PRO A 1 318 ? -25.107 -11.220 26.511 1.00 13.44 ? 316 PRO A O 1 ATOM 2160 C CB . PRO A 1 318 ? -27.654 -11.884 28.523 1.00 15.07 ? 316 PRO A CB 1 ATOM 2161 C CG . PRO A 1 318 ? -29.047 -12.449 28.316 1.00 15.97 ? 316 PRO A CG 1 ATOM 2162 C CD . PRO A 1 318 ? -29.769 -11.491 27.398 1.00 14.59 ? 316 PRO A CD 1 ATOM 2163 N N . TYR A 1 319 ? -26.661 -12.536 25.544 1.00 14.10 ? 317 TYR A N 1 ATOM 2164 C CA . TYR A 1 319 ? -25.725 -13.154 24.581 1.00 15.24 ? 317 TYR A CA 1 ATOM 2165 C C . TYR A 1 319 ? -25.216 -12.209 23.484 1.00 14.18 ? 317 TYR A C 1 ATOM 2166 O O . TYR A 1 319 ? -24.071 -12.327 23.046 1.00 13.44 ? 317 TYR A O 1 ATOM 2167 C CB . TYR A 1 319 ? -26.323 -14.433 23.996 1.00 17.13 ? 317 TYR A CB 1 ATOM 2168 C CG . TYR A 1 319 ? -26.532 -15.449 25.083 1.00 19.97 ? 317 TYR A CG 1 ATOM 2169 C CD1 . TYR A 1 319 ? -25.441 -15.915 25.827 1.00 22.79 ? 317 TYR A CD1 1 ATOM 2170 C CD2 . TYR A 1 319 ? -27.798 -15.903 25.415 1.00 22.29 ? 317 TYR A CD2 1 ATOM 2171 C CE1 . TYR A 1 319 ? -25.606 -16.829 26.847 1.00 24.47 ? 317 TYR A CE1 1 ATOM 2172 C CE2 . TYR A 1 319 ? -27.971 -16.840 26.435 1.00 23.98 ? 317 TYR A CE2 1 ATOM 2173 C CZ . TYR A 1 319 ? -26.867 -17.290 27.148 1.00 23.56 ? 317 TYR A CZ 1 ATOM 2174 O OH . TYR A 1 319 ? -27.004 -18.211 28.170 1.00 24.53 ? 317 TYR A OH 1 ATOM 2175 N N . VAL A 1 320 ? -26.075 -11.287 23.048 1.00 13.24 ? 318 VAL A N 1 ATOM 2176 C CA . VAL A 1 320 ? -25.656 -10.203 22.154 1.00 12.16 ? 318 VAL A CA 1 ATOM 2177 C C . VAL A 1 320 ? -24.677 -9.265 22.896 1.00 11.87 ? 318 VAL A C 1 ATOM 2178 O O . VAL A 1 320 ? -23.642 -8.866 22.361 1.00 10.55 ? 318 VAL A O 1 ATOM 2179 C CB . VAL A 1 320 ? -26.881 -9.411 21.633 1.00 11.94 ? 318 VAL A CB 1 ATOM 2180 C CG1 . VAL A 1 320 ? -26.451 -8.118 20.944 1.00 11.15 ? 318 VAL A CG1 1 ATOM 2181 C CG2 . VAL A 1 320 ? -27.719 -10.264 20.696 1.00 11.99 ? 318 VAL A CG2 1 ATOM 2182 N N . ARG A 1 321 ? -24.998 -8.914 24.140 1.00 11.77 ? 319 ARG A N 1 ATOM 2183 C CA . ARG A 1 321 ? -24.077 -8.083 24.921 1.00 12.00 ? 319 ARG A CA 1 ATOM 2184 C C . ARG A 1 321 ? -22.712 -8.775 25.072 1.00 12.62 ? 319 ARG A C 1 ATOM 2185 O O . ARG A 1 321 ? -21.645 -8.139 24.907 1.00 12.03 ? 319 ARG A O 1 ATOM 2186 C CB . ARG A 1 321 ? -24.691 -7.731 26.282 1.00 12.21 ? 319 ARG A CB 1 ATOM 2187 C CG . ARG A 1 321 ? -25.693 -6.585 26.204 1.00 11.25 ? 319 ARG A CG 1 ATOM 2188 C CD . ARG A 1 321 ? -26.351 -6.338 27.583 1.00 11.75 ? 319 ARG A CD 1 ATOM 2189 N NE . ARG A 1 321 ? -25.375 -5.950 28.608 1.00 12.94 ? 319 ARG A NE 1 ATOM 2190 C CZ . ARG A 1 321 ? -25.586 -5.005 29.524 1.00 13.01 ? 319 ARG A CZ 1 ATOM 2191 N NH1 . ARG A 1 321 ? -26.734 -4.316 29.532 1.00 13.05 ? 319 ARG A NH1 1 ATOM 2192 N NH2 . ARG A 1 321 ? -24.645 -4.727 30.424 1.00 12.02 ? 319 ARG A NH2 1 ATOM 2193 N N . LYS A 1 322 ? -22.738 -10.088 25.300 1.00 13.05 ? 320 LYS A N 1 ATOM 2194 C CA . LYS A 1 322 ? -21.484 -10.837 25.437 1.00 13.81 ? 320 LYS A CA 1 ATOM 2195 C C . LYS A 1 322 ? -20.722 -10.795 24.109 1.00 13.07 ? 320 LYS A C 1 ATOM 2196 O O . LYS A 1 322 ? -19.533 -10.497 24.091 1.00 14.00 ? 320 LYS A O 1 ATOM 2197 C CB . LYS A 1 322 ? -21.719 -12.284 25.906 1.00 14.44 ? 320 LYS A CB 1 ATOM 2198 C CG . LYS A 1 322 ? -22.190 -12.445 27.388 1.00 18.47 ? 320 LYS A CG 1 ATOM 2199 C CD . LYS A 1 322 ? -21.281 -11.786 28.484 1.00 20.75 ? 320 LYS A CD 1 ATOM 2200 C CE . LYS A 1 322 ? -19.922 -12.464 28.635 1.00 23.77 ? 320 LYS A CE 1 ATOM 2201 N NZ . LYS A 1 322 ? -18.985 -11.596 29.452 1.00 23.00 ? 320 LYS A NZ 1 ATOM 2202 N N . ALA A 1 323 ? -21.409 -11.050 22.996 1.00 12.41 ? 321 ALA A N 1 ATOM 2203 C CA . ALA A 1 323 ? -20.765 -11.010 21.678 1.00 12.13 ? 321 ALA A CA 1 ATOM 2204 C C . ALA A 1 323 ? -20.207 -9.637 21.335 1.00 11.57 ? 321 ALA A C 1 ATOM 2205 O O . ALA A 1 323 ? -19.181 -9.533 20.650 1.00 11.50 ? 321 ALA A O 1 ATOM 2206 C CB . ALA A 1 323 ? -21.735 -11.515 20.552 1.00 11.93 ? 321 ALA A CB 1 ATOM 2207 N N . LEU A 1 324 ? -20.870 -8.588 21.828 1.00 11.12 ? 322 LEU A N 1 ATOM 2208 C CA . LEU A 1 324 ? -20.410 -7.207 21.645 1.00 11.12 ? 322 LEU A CA 1 ATOM 2209 C C . LEU A 1 324 ? -19.390 -6.703 22.683 1.00 11.19 ? 322 LEU A C 1 ATOM 2210 O O . LEU A 1 324 ? -19.035 -5.504 22.686 1.00 11.19 ? 322 LEU A O 1 ATOM 2211 C CB . LEU A 1 324 ? -21.597 -6.241 21.553 1.00 10.55 ? 322 LEU A CB 1 ATOM 2212 C CG . LEU A 1 324 ? -22.536 -6.433 20.363 1.00 11.20 ? 322 LEU A CG 1 ATOM 2213 C CD1 . LEU A 1 324 ? -23.669 -5.470 20.470 1.00 10.05 ? 322 LEU A CD1 1 ATOM 2214 C CD2 . LEU A 1 324 ? -21.802 -6.260 19.022 1.00 9.13 ? 322 LEU A CD2 1 ATOM 2215 N N . ASN A 1 325 ? -18.905 -7.614 23.531 1.00 11.61 ? 323 ASN A N 1 ATOM 2216 C CA . ASN A 1 325 ? -17.866 -7.287 24.515 1.00 12.13 ? 323 ASN A CA 1 ATOM 2217 C C . ASN A 1 325 ? -18.305 -6.203 25.503 1.00 11.68 ? 323 ASN A C 1 ATOM 2218 O O . ASN A 1 325 ? -17.512 -5.361 25.923 1.00 12.06 ? 323 ASN A O 1 ATOM 2219 C CB . ASN A 1 325 ? -16.573 -6.896 23.777 1.00 12.01 ? 323 ASN A CB 1 ATOM 2220 C CG . ASN A 1 325 ? -16.111 -7.981 22.816 1.00 13.28 ? 323 ASN A CG 1 ATOM 2221 O OD1 . ASN A 1 325 ? -16.011 -9.149 23.206 1.00 11.86 ? 323 ASN A OD1 1 ATOM 2222 N ND2 . ASN A 1 325 ? -15.849 -7.613 21.550 1.00 11.87 ? 323 ASN A ND2 1 ATOM 2223 N N . ILE A 1 326 ? -19.585 -6.233 25.862 1.00 11.60 ? 324 ILE A N 1 ATOM 2224 C CA . ILE A 1 326 ? -20.173 -5.233 26.749 1.00 11.34 ? 324 ILE A CA 1 ATOM 2225 C C . ILE A 1 326 ? -20.054 -5.731 28.189 1.00 11.72 ? 324 ILE A C 1 ATOM 2226 O O . ILE A 1 326 ? -20.535 -6.828 28.477 1.00 12.01 ? 324 ILE A O 1 ATOM 2227 C CB . ILE A 1 326 ? -21.690 -5.004 26.424 1.00 11.30 ? 324 ILE A CB 1 ATOM 2228 C CG1 . ILE A 1 326 ? -21.893 -4.603 24.945 1.00 9.83 ? 324 ILE A CG1 1 ATOM 2229 C CG2 . ILE A 1 326 ? -22.288 -3.951 27.376 1.00 11.67 ? 324 ILE A CG2 1 ATOM 2230 C CD1 . ILE A 1 326 ? -21.096 -3.338 24.530 1.00 8.64 ? 324 ILE A CD1 1 ATOM 2231 N N . PRO A 1 327 ? -19.402 -4.943 29.080 1.00 12.69 ? 325 PRO A N 1 ATOM 2232 C CA . PRO A 1 327 ? -19.325 -5.324 30.509 1.00 13.15 ? 325 PRO A CA 1 ATOM 2233 C C . PRO A 1 327 ? -20.707 -5.570 31.123 1.00 14.00 ? 325 PRO A C 1 ATOM 2234 O O . PRO A 1 327 ? -21.645 -4.793 30.895 1.00 13.53 ? 325 PRO A O 1 ATOM 2235 C CB . PRO A 1 327 ? -18.638 -4.128 31.179 1.00 12.90 ? 325 PRO A CB 1 ATOM 2236 C CG . PRO A 1 327 ? -17.839 -3.488 30.099 1.00 13.18 ? 325 PRO A CG 1 ATOM 2237 C CD . PRO A 1 327 ? -18.657 -3.696 28.812 1.00 11.70 ? 325 PRO A CD 1 ATOM 2238 N N . GLU A 1 328 ? -20.806 -6.663 31.882 1.00 13.55 ? 326 GLU A N 1 ATOM 2239 C CA . GLU A 1 328 ? -22.077 -7.125 32.462 1.00 14.30 ? 326 GLU A CA 1 ATOM 2240 C C . GLU A 1 328 ? -22.688 -6.124 33.441 1.00 15.04 ? 326 GLU A C 1 ATOM 2241 O O . GLU A 1 328 ? -23.904 -6.112 33.649 1.00 15.21 ? 326 GLU A O 1 ATOM 2242 C CB . GLU A 1 328 ? -21.872 -8.485 33.133 1.00 13.84 ? 326 GLU A CB 1 ATOM 2243 C CG . GLU A 1 328 ? -21.666 -9.588 32.134 1.00 14.84 ? 326 GLU A CG 1 ATOM 2244 C CD . GLU A 1 328 ? -21.188 -10.877 32.772 1.00 13.93 ? 326 GLU A CD 1 ATOM 2245 O OE1 . GLU A 1 328 ? -21.077 -10.966 34.022 1.00 12.32 ? 326 GLU A OE1 1 ATOM 2246 O OE2 . GLU A 1 328 ? -20.890 -11.782 32.001 1.00 12.77 ? 326 GLU A OE2 1 ATOM 2247 N N . GLN A 1 329 ? -21.834 -5.280 34.019 1.00 15.50 ? 327 GLN A N 1 ATOM 2248 C CA . GLN A 1 329 ? -22.232 -4.335 35.061 1.00 16.86 ? 327 GLN A CA 1 ATOM 2249 C C . GLN A 1 329 ? -23.042 -3.158 34.514 1.00 16.52 ? 327 GLN A C 1 ATOM 2250 O O . GLN A 1 329 ? -23.792 -2.511 35.259 1.00 16.90 ? 327 GLN A O 1 ATOM 2251 C CB . GLN A 1 329 ? -20.993 -3.827 35.814 1.00 17.06 ? 327 GLN A CB 1 ATOM 2252 C CG . GLN A 1 329 ? -20.180 -4.930 36.536 1.00 20.75 ? 327 GLN A CG 1 ATOM 2253 C CD . GLN A 1 329 ? -19.191 -5.695 35.628 1.00 23.40 ? 327 GLN A CD 1 ATOM 2254 O OE1 . GLN A 1 329 ? -19.132 -5.499 34.408 1.00 20.85 ? 327 GLN A OE1 1 ATOM 2255 N NE2 . GLN A 1 329 ? -18.415 -6.581 36.241 1.00 25.52 ? 327 GLN A NE2 1 ATOM 2256 N N . LEU A 1 330 ? -22.911 -2.906 33.214 1.00 15.40 ? 328 LEU A N 1 ATOM 2257 C CA . LEU A 1 330 ? -23.571 -1.761 32.578 1.00 15.85 ? 328 LEU A CA 1 ATOM 2258 C C . LEU A 1 330 ? -25.095 -1.872 32.539 1.00 14.80 ? 328 LEU A C 1 ATOM 2259 O O . LEU A 1 330 ? -25.636 -2.962 32.344 1.00 14.95 ? 328 LEU A O 1 ATOM 2260 C CB . LEU A 1 330 ? -23.013 -1.542 31.171 1.00 14.81 ? 328 LEU A CB 1 ATOM 2261 C CG . LEU A 1 330 ? -21.570 -1.040 31.213 1.00 16.99 ? 328 LEU A CG 1 ATOM 2262 C CD1 . LEU A 1 330 ? -20.938 -1.072 29.827 1.00 16.38 ? 328 LEU A CD1 1 ATOM 2263 C CD2 . LEU A 1 330 ? -21.447 0.336 31.864 1.00 17.65 ? 328 LEU A CD2 1 ATOM 2264 N N . PRO A 1 331 ? -25.794 -0.730 32.710 1.00 14.92 ? 329 PRO A N 1 ATOM 2265 C CA . PRO A 1 331 ? -27.259 -0.758 32.740 1.00 14.19 ? 329 PRO A CA 1 ATOM 2266 C C . PRO A 1 331 ? -27.871 -1.113 31.366 1.00 14.20 ? 329 PRO A C 1 ATOM 2267 O O . PRO A 1 331 ? -27.149 -1.204 30.362 1.00 13.64 ? 329 PRO A O 1 ATOM 2268 C CB . PRO A 1 331 ? -27.629 0.664 33.121 1.00 14.50 ? 329 PRO A CB 1 ATOM 2269 C CG . PRO A 1 331 ? -26.492 1.505 32.660 1.00 14.82 ? 329 PRO A CG 1 ATOM 2270 C CD . PRO A 1 331 ? -25.262 0.642 32.851 1.00 14.76 ? 329 PRO A CD 1 ATOM 2271 N N . GLN A 1 332 ? -29.185 -1.319 31.353 1.00 13.77 ? 330 GLN A N 1 ATOM 2272 C CA . GLN A 1 332 ? -29.924 -1.678 30.150 1.00 14.61 ? 330 GLN A CA 1 ATOM 2273 C C . GLN A 1 332 ? -29.656 -0.698 28.988 1.00 13.30 ? 330 GLN A C 1 ATOM 2274 O O . GLN A 1 332 ? -29.345 0.491 29.193 1.00 12.97 ? 330 GLN A O 1 ATOM 2275 C CB . GLN A 1 332 ? -31.426 -1.804 30.440 1.00 14.28 ? 330 GLN A CB 1 ATOM 2276 C CG . GLN A 1 332 ? -32.221 -0.527 30.263 1.00 17.53 ? 330 GLN A CG 1 ATOM 2277 C CD . GLN A 1 332 ? -33.732 -0.727 30.390 1.00 17.99 ? 330 GLN A CD 1 ATOM 2278 O OE1 . GLN A 1 332 ? -34.520 -0.013 29.762 1.00 20.97 ? 330 GLN A OE1 1 ATOM 2279 N NE2 . GLN A 1 332 ? -34.132 -1.697 31.198 1.00 20.43 ? 330 GLN A NE2 1 ATOM 2280 N N . TRP A 1 333 ? -29.724 -1.229 27.772 1.00 13.25 ? 331 TRP A N 1 ATOM 2281 C CA . TRP A 1 333 ? -29.564 -0.415 26.567 1.00 12.34 ? 331 TRP A CA 1 ATOM 2282 C C . TRP A 1 333 ? -30.888 0.260 26.208 1.00 12.76 ? 331 TRP A C 1 ATOM 2283 O O . TRP A 1 333 ? -31.922 -0.396 26.126 1.00 12.98 ? 331 TRP A O 1 ATOM 2284 C CB . TRP A 1 333 ? -29.074 -1.275 25.386 1.00 12.58 ? 331 TRP A CB 1 ATOM 2285 C CG . TRP A 1 333 ? -28.723 -0.465 24.175 1.00 10.93 ? 331 TRP A CG 1 ATOM 2286 C CD1 . TRP A 1 333 ? -27.501 0.043 23.875 1.00 10.86 ? 331 TRP A CD1 1 ATOM 2287 C CD2 . TRP A 1 333 ? -29.598 -0.072 23.102 1.00 11.89 ? 331 TRP A CD2 1 ATOM 2288 N NE1 . TRP A 1 333 ? -27.549 0.750 22.695 1.00 9.41 ? 331 TRP A NE1 1 ATOM 2289 C CE2 . TRP A 1 333 ? -28.820 0.682 22.188 1.00 11.79 ? 331 TRP A CE2 1 ATOM 2290 C CE3 . TRP A 1 333 ? -30.956 -0.297 22.815 1.00 11.47 ? 331 TRP A CE3 1 ATOM 2291 C CZ2 . TRP A 1 333 ? -29.349 1.217 21.006 1.00 11.13 ? 331 TRP A CZ2 1 ATOM 2292 C CZ3 . TRP A 1 333 ? -31.496 0.248 21.643 1.00 10.98 ? 331 TRP A CZ3 1 ATOM 2293 C CH2 . TRP A 1 333 ? -30.685 0.991 20.745 1.00 12.11 ? 331 TRP A CH2 1 ATOM 2294 N N . ASP A 1 334 ? -30.824 1.574 25.980 1.00 12.86 ? 332 ASP A N 1 ATOM 2295 C CA . ASP A 1 334 ? -31.926 2.365 25.439 1.00 13.53 ? 332 ASP A CA 1 ATOM 2296 C C . ASP A 1 334 ? -31.439 3.085 24.185 1.00 13.41 ? 332 ASP A C 1 ATOM 2297 O O . ASP A 1 334 ? -30.269 3.486 24.115 1.00 13.56 ? 332 ASP A O 1 ATOM 2298 C CB . ASP A 1 334 ? -32.335 3.422 26.461 1.00 14.27 ? 332 ASP A CB 1 ATOM 2299 C CG . ASP A 1 334 ? -32.815 2.823 27.767 1.00 16.57 ? 332 ASP A CG 1 ATOM 2300 O OD1 . ASP A 1 334 ? -33.619 1.879 27.722 1.00 19.98 ? 332 ASP A OD1 1 ATOM 2301 O OD2 . ASP A 1 334 ? -32.417 3.319 28.842 1.00 22.23 ? 332 ASP A OD2 1 ATOM 2302 N N . MET A 1 335 ? -32.335 3.286 23.220 1.00 12.57 ? 333 MET A N 1 ATOM 2303 C CA . MET A 1 335 ? -32.010 4.043 22.022 1.00 12.71 ? 333 MET A CA 1 ATOM 2304 C C . MET A 1 335 ? -31.557 5.463 22.364 1.00 12.88 ? 333 MET A C 1 ATOM 2305 O O . MET A 1 335 ? -30.605 5.984 21.777 1.00 11.94 ? 333 MET A O 1 ATOM 2306 C CB . MET A 1 335 ? -33.211 4.089 21.081 1.00 12.21 ? 333 MET A CB 1 ATOM 2307 C CG . MET A 1 335 ? -32.944 4.808 19.788 1.00 14.41 ? 333 MET A CG 1 ATOM 2308 S SD . MET A 1 335 ? -31.674 3.943 18.889 1.00 16.73 ? 333 MET A SD 1 ATOM 2309 C CE . MET A 1 335 ? -32.630 2.671 18.047 1.00 14.34 ? 333 MET A CE 1 ATOM 2310 N N . CYS A 1 336 ? -32.257 6.087 23.311 1.00 12.59 ? 334 CYS A N 1 ATOM 2311 C CA . CYS A 1 336 ? -31.885 7.427 23.764 1.00 13.35 ? 334 CYS A CA 1 ATOM 2312 C C . CYS A 1 336 ? -31.829 7.450 25.276 1.00 14.08 ? 334 CYS A C 1 ATOM 2313 O O . CYS A 1 336 ? -32.659 6.828 25.944 1.00 14.09 ? 334 CYS A O 1 ATOM 2314 C CB . CYS A 1 336 ? -32.886 8.489 23.261 1.00 13.68 ? 334 CYS A CB 1 ATOM 2315 S SG . CYS A 1 336 ? -33.216 8.508 21.454 1.00 16.51 ? 334 CYS A SG 1 ATOM 2316 N N . ASN A 1 337 ? -30.849 8.176 25.804 1.00 14.36 ? 335 ASN A N 1 ATOM 2317 C CA . ASN A 1 337 ? -30.686 8.343 27.231 1.00 14.80 ? 335 ASN A CA 1 ATOM 2318 C C . ASN A 1 337 ? -31.409 9.620 27.669 1.00 14.83 ? 335 ASN A C 1 ATOM 2319 O O . ASN A 1 337 ? -31.069 10.723 27.255 1.00 13.92 ? 335 ASN A O 1 ATOM 2320 C CB . ASN A 1 337 ? -29.196 8.391 27.603 1.00 14.69 ? 335 ASN A CB 1 ATOM 2321 C CG . ASN A 1 337 ? -28.957 8.405 29.104 1.00 16.38 ? 335 ASN A CG 1 ATOM 2322 O OD1 . ASN A 1 337 ? -29.404 9.299 29.801 1.00 16.83 ? 335 ASN A OD1 1 ATOM 2323 N ND2 . ASN A 1 337 ? -28.200 7.426 29.599 1.00 18.14 ? 335 ASN A ND2 1 ATOM 2324 N N . PHE A 1 338 ? -32.422 9.429 28.499 1.00 15.16 ? 336 PHE A N 1 ATOM 2325 C CA . PHE A 1 338 ? -33.260 10.507 29.002 1.00 15.87 ? 336 PHE A CA 1 ATOM 2326 C C . PHE A 1 338 ? -32.438 11.557 29.754 1.00 15.45 ? 336 PHE A C 1 ATOM 2327 O O . PHE A 1 338 ? -32.642 12.749 29.568 1.00 16.26 ? 336 PHE A O 1 ATOM 2328 C CB . PHE A 1 338 ? -34.360 9.876 29.889 1.00 16.78 ? 336 PHE A CB 1 ATOM 2329 C CG . PHE A 1 338 ? -35.045 10.832 30.822 1.00 17.59 ? 336 PHE A CG 1 ATOM 2330 C CD1 . PHE A 1 338 ? -35.896 11.823 30.336 1.00 18.84 ? 336 PHE A CD1 1 ATOM 2331 C CD2 . PHE A 1 338 ? -34.874 10.706 32.199 1.00 19.82 ? 336 PHE A CD2 1 ATOM 2332 C CE1 . PHE A 1 338 ? -36.546 12.700 31.214 1.00 20.65 ? 336 PHE A CE1 1 ATOM 2333 C CE2 . PHE A 1 338 ? -35.511 11.580 33.086 1.00 20.42 ? 336 PHE A CE2 1 ATOM 2334 C CZ . PHE A 1 338 ? -36.349 12.567 32.597 1.00 20.06 ? 336 PHE A CZ 1 ATOM 2335 N N . LEU A 1 339 ? -31.505 11.110 30.589 1.00 15.40 ? 337 LEU A N 1 ATOM 2336 C CA . LEU A 1 339 ? -30.701 12.023 31.395 1.00 15.19 ? 337 LEU A CA 1 ATOM 2337 C C . LEU A 1 339 ? -29.720 12.833 30.556 1.00 14.45 ? 337 LEU A C 1 ATOM 2338 O O . LEU A 1 339 ? -29.563 14.024 30.783 1.00 14.68 ? 337 LEU A O 1 ATOM 2339 C CB . LEU A 1 339 ? -29.953 11.259 32.483 1.00 15.63 ? 337 LEU A CB 1 ATOM 2340 C CG . LEU A 1 339 ? -30.828 10.737 33.626 1.00 17.63 ? 337 LEU A CG 1 ATOM 2341 C CD1 . LEU A 1 339 ? -29.975 9.926 34.590 1.00 20.63 ? 337 LEU A CD1 1 ATOM 2342 C CD2 . LEU A 1 339 ? -31.527 11.891 34.343 1.00 21.00 ? 337 LEU A CD2 1 ATOM 2343 N N . VAL A 1 340 ? -29.066 12.185 29.596 1.00 12.99 ? 338 VAL A N 1 ATOM 2344 C CA . VAL A 1 340 ? -28.186 12.905 28.676 1.00 11.97 ? 338 VAL A CA 1 ATOM 2345 C C . VAL A 1 340 ? -28.967 14.032 27.987 1.00 11.94 ? 338 VAL A C 1 ATOM 2346 O O . VAL A 1 340 ? -28.516 15.173 27.967 1.00 11.99 ? 338 VAL A O 1 ATOM 2347 C CB . VAL A 1 340 ? -27.526 11.961 27.635 1.00 11.13 ? 338 VAL A CB 1 ATOM 2348 C CG1 . VAL A 1 340 ? -26.696 12.783 26.600 1.00 10.79 ? 338 VAL A CG1 1 ATOM 2349 C CG2 . VAL A 1 340 ? -26.621 10.958 28.335 1.00 12.41 ? 338 VAL A CG2 1 ATOM 2350 N N . ASN A 1 341 ? -30.154 13.729 27.464 1.00 12.27 ? 339 ASN A N 1 ATOM 2351 C CA . ASN A 1 341 ? -30.916 14.766 26.751 1.00 13.64 ? 339 ASN A CA 1 ATOM 2352 C C . ASN A 1 341 ? -31.394 15.872 27.695 1.00 13.27 ? 339 ASN A C 1 ATOM 2353 O O . ASN A 1 341 ? -31.312 17.054 27.363 1.00 13.64 ? 339 ASN A O 1 ATOM 2354 C CB . ASN A 1 341 ? -32.085 14.181 25.941 1.00 14.44 ? 339 ASN A CB 1 ATOM 2355 C CG . ASN A 1 341 ? -32.472 15.083 24.719 1.00 17.95 ? 339 ASN A CG 1 ATOM 2356 O OD1 . ASN A 1 341 ? -32.207 16.286 24.698 1.00 26.72 ? 339 ASN A OD1 1 ATOM 2357 N ND2 . ASN A 1 341 ? -33.056 14.489 23.719 1.00 23.45 ? 339 ASN A ND2 1 ATOM 2358 N N . LEU A 1 342 ? -31.858 15.468 28.883 1.00 13.45 ? 340 LEU A N 1 ATOM 2359 C CA . LEU A 1 342 ? -32.342 16.387 29.913 1.00 13.45 ? 340 LEU A CA 1 ATOM 2360 C C . LEU A 1 342 ? -31.314 17.452 30.301 1.00 13.43 ? 340 LEU A C 1 ATOM 2361 O O . LEU A 1 342 ? -31.647 18.640 30.450 1.00 13.28 ? 340 LEU A O 1 ATOM 2362 C CB . LEU A 1 342 ? -32.731 15.595 31.170 1.00 13.61 ? 340 LEU A CB 1 ATOM 2363 C CG . LEU A 1 342 ? -33.084 16.450 32.406 1.00 14.93 ? 340 LEU A CG 1 ATOM 2364 C CD1 . LEU A 1 342 ? -34.496 16.988 32.297 1.00 14.62 ? 340 LEU A CD1 1 ATOM 2365 C CD2 . LEU A 1 342 ? -32.899 15.641 33.702 1.00 14.28 ? 340 LEU A CD2 1 ATOM 2366 N N . GLN A 1 343 ? -30.076 17.005 30.499 1.00 12.52 ? 341 GLN A N 1 ATOM 2367 C CA . GLN A 1 343 ? -29.018 17.829 31.033 1.00 12.64 ? 341 GLN A CA 1 ATOM 2368 C C . GLN A 1 343 ? -28.150 18.439 29.933 1.00 13.04 ? 341 GLN A C 1 ATOM 2369 O O . GLN A 1 343 ? -27.224 19.180 30.236 1.00 14.28 ? 341 GLN A O 1 ATOM 2370 C CB . GLN A 1 343 ? -28.121 16.978 31.917 1.00 12.67 ? 341 GLN A CB 1 ATOM 2371 C CG . GLN A 1 343 ? -28.766 16.404 33.163 1.00 14.22 ? 341 GLN A CG 1 ATOM 2372 C CD . GLN A 1 343 ? -27.843 15.431 33.811 1.00 13.45 ? 341 GLN A CD 1 ATOM 2373 O OE1 . GLN A 1 343 ? -27.686 14.301 33.345 1.00 17.69 ? 341 GLN A OE1 1 ATOM 2374 N NE2 . GLN A 1 343 ? -27.177 15.869 34.845 1.00 11.43 ? 341 GLN A NE2 1 ATOM 2375 N N . TYR A 1 344 ? -28.444 18.132 28.668 1.00 11.86 ? 342 TYR A N 1 ATOM 2376 C CA . TYR A 1 344 ? -27.622 18.619 27.550 1.00 11.74 ? 342 TYR A CA 1 ATOM 2377 C C . TYR A 1 344 ? -27.728 20.140 27.374 1.00 12.70 ? 342 TYR A C 1 ATOM 2378 O O . TYR A 1 344 ? -28.835 20.685 27.270 1.00 13.28 ? 342 TYR A O 1 ATOM 2379 C CB . TYR A 1 344 ? -28.012 17.925 26.228 1.00 10.63 ? 342 TYR A CB 1 ATOM 2380 C CG . TYR A 1 344 ? -26.944 18.067 25.165 1.00 9.64 ? 342 TYR A CG 1 ATOM 2381 C CD1 . TYR A 1 344 ? -26.894 19.185 24.329 1.00 7.30 ? 342 TYR A CD1 1 ATOM 2382 C CD2 . TYR A 1 344 ? -25.957 17.087 25.024 1.00 8.05 ? 342 TYR A CD2 1 ATOM 2383 C CE1 . TYR A 1 344 ? -25.879 19.310 23.344 1.00 8.07 ? 342 TYR A CE1 1 ATOM 2384 C CE2 . TYR A 1 344 ? -24.940 17.201 24.046 1.00 9.09 ? 342 TYR A CE2 1 ATOM 2385 C CZ . TYR A 1 344 ? -24.904 18.314 23.227 1.00 8.33 ? 342 TYR A CZ 1 ATOM 2386 O OH . TYR A 1 344 ? -23.891 18.383 22.277 1.00 8.39 ? 342 TYR A OH 1 ATOM 2387 N N . ARG A 1 345 ? -26.588 20.819 27.353 1.00 12.78 ? 343 ARG A N 1 ATOM 2388 C CA . ARG A 1 345 ? -26.578 22.254 27.082 1.00 15.03 ? 343 ARG A CA 1 ATOM 2389 C C . ARG A 1 345 ? -26.143 22.517 25.645 1.00 13.91 ? 343 ARG A C 1 ATOM 2390 O O . ARG A 1 345 ? -24.991 22.316 25.283 1.00 13.53 ? 343 ARG A O 1 ATOM 2391 C CB . ARG A 1 345 ? -25.699 23.033 28.063 1.00 15.56 ? 343 ARG A CB 1 ATOM 2392 C CG . ARG A 1 345 ? -25.811 24.548 27.834 1.00 20.38 ? 343 ARG A CG 1 ATOM 2393 C CD . ARG A 1 345 ? -24.929 25.354 28.770 1.00 28.79 ? 343 ARG A CD 1 ATOM 2394 N NE . ARG A 1 345 ? -25.316 26.769 28.773 1.00 34.40 ? 343 ARG A NE 1 ATOM 2395 C CZ . ARG A 1 345 ? -24.672 27.729 29.436 1.00 37.82 ? 343 ARG A CZ 1 ATOM 2396 N NH1 . ARG A 1 345 ? -23.596 27.443 30.167 1.00 39.91 ? 343 ARG A NH1 1 ATOM 2397 N NH2 . ARG A 1 345 ? -25.103 28.984 29.364 1.00 39.27 ? 343 ARG A NH2 1 ATOM 2398 N N . ARG A 1 346 ? -27.101 22.955 24.834 1.00 13.66 ? 344 ARG A N 1 ATOM 2399 C CA . ARG A 1 346 ? -26.843 23.379 23.455 1.00 13.90 ? 344 ARG A CA 1 ATOM 2400 C C . ARG A 1 346 ? -26.146 24.738 23.443 1.00 13.94 ? 344 ARG A C 1 ATOM 2401 O O . ARG A 1 346 ? -26.531 25.646 24.174 1.00 13.99 ? 344 ARG A O 1 ATOM 2402 C CB . ARG A 1 346 ? -28.175 23.510 22.716 1.00 14.51 ? 344 ARG A CB 1 ATOM 2403 C CG . ARG A 1 346 ? -28.970 22.234 22.744 1.00 15.27 ? 344 ARG A CG 1 ATOM 2404 C CD . ARG A 1 346 ? -30.394 22.485 22.388 1.00 20.14 ? 344 ARG A CD 1 ATOM 2405 N NE . ARG A 1 346 ? -31.094 21.286 21.954 1.00 22.31 ? 344 ARG A NE 1 ATOM 2406 C CZ . ARG A 1 346 ? -31.583 20.344 22.754 1.00 28.49 ? 344 ARG A CZ 1 ATOM 2407 N NH1 . ARG A 1 346 ? -31.434 20.407 24.086 1.00 29.74 ? 344 ARG A NH1 1 ATOM 2408 N NH2 . ARG A 1 346 ? -32.224 19.317 22.204 1.00 29.92 ? 344 ARG A NH2 1 ATOM 2409 N N . LEU A 1 347 ? -25.123 24.888 22.611 1.00 13.59 ? 345 LEU A N 1 ATOM 2410 C CA . LEU A 1 347 ? -24.329 26.114 22.627 1.00 13.82 ? 345 LEU A CA 1 ATOM 2411 C C . LEU A 1 347 ? -24.370 26.868 21.299 1.00 13.76 ? 345 LEU A C 1 ATOM 2412 O O . LEU A 1 347 ? -24.256 28.098 21.285 1.00 13.51 ? 345 LEU A O 1 ATOM 2413 C CB . LEU A 1 347 ? -22.871 25.802 23.001 1.00 13.63 ? 345 LEU A CB 1 ATOM 2414 C CG . LEU A 1 347 ? -22.596 25.052 24.309 1.00 14.31 ? 345 LEU A CG 1 ATOM 2415 C CD1 . LEU A 1 347 ? -21.087 24.960 24.594 1.00 13.43 ? 345 LEU A CD1 1 ATOM 2416 C CD2 . LEU A 1 347 ? -23.361 25.686 25.478 1.00 14.72 ? 345 LEU A CD2 1 ATOM 2417 N N . TYR A 1 348 ? -24.465 26.127 20.193 1.00 12.60 ? 346 TYR A N 1 ATOM 2418 C CA . TYR A 1 348 ? -24.415 26.752 18.864 1.00 13.70 ? 346 TYR A CA 1 ATOM 2419 C C . TYR A 1 348 ? -25.814 26.898 18.326 1.00 12.97 ? 346 TYR A C 1 ATOM 2420 O O . TYR A 1 348 ? -26.627 25.996 18.488 1.00 12.78 ? 346 TYR A O 1 ATOM 2421 C CB . TYR A 1 348 ? -23.570 25.940 17.877 1.00 13.36 ? 346 TYR A CB 1 ATOM 2422 C CG . TYR A 1 348 ? -22.135 25.786 18.291 1.00 15.73 ? 346 TYR A CG 1 ATOM 2423 C CD1 . TYR A 1 348 ? -21.194 26.765 17.972 1.00 18.23 ? 346 TYR A CD1 1 ATOM 2424 C CD2 . TYR A 1 348 ? -21.704 24.654 19.000 1.00 14.14 ? 346 TYR A CD2 1 ATOM 2425 C CE1 . TYR A 1 348 ? -19.844 26.629 18.349 1.00 18.98 ? 346 TYR A CE1 1 ATOM 2426 C CE2 . TYR A 1 348 ? -20.347 24.509 19.380 1.00 17.09 ? 346 TYR A CE2 1 ATOM 2427 C CZ . TYR A 1 348 ? -19.438 25.500 19.054 1.00 17.71 ? 346 TYR A CZ 1 ATOM 2428 O OH . TYR A 1 348 ? -18.113 25.362 19.420 1.00 19.30 ? 346 TYR A OH 1 ATOM 2429 N N . ARG A 1 349 ? -26.102 28.047 17.721 1.00 12.68 ? 347 ARG A N 1 ATOM 2430 C CA . ARG A 1 349 ? -27.381 28.221 17.054 1.00 13.31 ? 347 ARG A CA 1 ATOM 2431 C C . ARG A 1 349 ? -27.271 28.110 15.532 1.00 12.46 ? 347 ARG A C 1 ATOM 2432 O O . ARG A 1 349 ? -28.291 27.951 14.836 1.00 12.55 ? 347 ARG A O 1 ATOM 2433 C CB . ARG A 1 349 ? -28.036 29.541 17.455 1.00 14.05 ? 347 ARG A CB 1 ATOM 2434 C CG . ARG A 1 349 ? -28.561 29.512 18.864 1.00 19.11 ? 347 ARG A CG 1 ATOM 2435 C CD . ARG A 1 349 ? -29.378 30.742 19.202 1.00 26.50 ? 347 ARG A CD 1 ATOM 2436 N NE . ARG A 1 349 ? -29.773 30.707 20.609 1.00 30.47 ? 347 ARG A NE 1 ATOM 2437 C CZ . ARG A 1 349 ? -30.605 31.563 21.190 1.00 34.50 ? 347 ARG A CZ 1 ATOM 2438 N NH1 . ARG A 1 349 ? -31.161 32.552 20.490 1.00 36.81 ? 347 ARG A NH1 1 ATOM 2439 N NH2 . ARG A 1 349 ? -30.882 31.426 22.484 1.00 36.69 ? 347 ARG A NH2 1 ATOM 2440 N N . SER A 1 350 ? -26.048 28.201 15.031 1.00 12.22 ? 348 SER A N 1 ATOM 2441 C CA . SER A 1 350 ? -25.757 28.031 13.600 1.00 12.16 ? 348 SER A CA 1 ATOM 2442 C C . SER A 1 350 ? -24.370 27.445 13.341 1.00 11.89 ? 348 SER A C 1 ATOM 2443 O O . SER A 1 350 ? -23.414 27.753 14.072 1.00 12.04 ? 348 SER A O 1 ATOM 2444 C CB . SER A 1 350 ? -25.894 29.364 12.847 1.00 11.77 ? 348 SER A CB 1 ATOM 2445 O OG . SER A 1 350 ? -25.442 29.220 11.504 1.00 13.19 ? 348 SER A OG 1 ATOM 2446 N N . MET A 1 351 ? -24.259 26.639 12.273 1.00 11.08 ? 349 MET A N 1 ATOM 2447 C CA . MET A 1 351 ? -22.973 26.049 11.854 1.00 11.13 ? 349 MET A CA 1 ATOM 2448 C C . MET A 1 351 ? -22.291 26.851 10.751 1.00 11.45 ? 349 MET A C 1 ATOM 2449 O O . MET A 1 351 ? -21.309 26.395 10.147 1.00 10.61 ? 349 MET A O 1 ATOM 2450 C CB . MET A 1 351 ? -23.166 24.574 11.433 1.00 11.28 ? 349 MET A CB 1 ATOM 2451 C CG . MET A 1 351 ? -23.528 23.643 12.591 1.00 9.05 ? 349 MET A CG 1 ATOM 2452 S SD . MET A 1 351 ? -22.148 23.273 13.720 1.00 10.66 ? 349 MET A SD 1 ATOM 2453 C CE . MET A 1 351 ? -22.382 24.451 15.057 1.00 10.75 ? 349 MET A CE 1 ATOM 2454 N N . ASN A 1 352 ? -22.833 28.030 10.462 1.00 11.72 ? 350 ASN A N 1 ATOM 2455 C CA . ASN A 1 352 ? -22.266 28.881 9.425 1.00 12.57 ? 350 ASN A CA 1 ATOM 2456 C C . ASN A 1 352 ? -20.761 29.065 9.612 1.00 12.10 ? 350 ASN A C 1 ATOM 2457 O O . ASN A 1 352 ? -20.000 28.770 8.715 1.00 12.29 ? 350 ASN A O 1 ATOM 2458 C CB . ASN A 1 352 ? -22.969 30.232 9.355 1.00 13.24 ? 350 ASN A CB 1 ATOM 2459 C CG . ASN A 1 352 ? -22.375 31.126 8.289 1.00 14.81 ? 350 ASN A CG 1 ATOM 2460 O OD1 . ASN A 1 352 ? -21.506 31.955 8.575 1.00 19.33 ? 350 ASN A OD1 1 ATOM 2461 N ND2 . ASN A 1 352 ? -22.812 30.950 7.059 1.00 15.32 ? 350 ASN A ND2 1 ATOM 2462 N N . SER A 1 353 ? -20.326 29.484 10.799 1.00 13.02 ? 351 SER A N 1 ATOM 2463 C CA . SER A 1 353 ? -18.885 29.688 11.001 1.00 13.63 ? 351 SER A CA 1 ATOM 2464 C C . SER A 1 353 ? -18.042 28.407 10.808 1.00 12.90 ? 351 SER A C 1 ATOM 2465 O O . SER A 1 353 ? -16.958 28.461 10.220 1.00 13.05 ? 351 SER A O 1 ATOM 2466 C CB . SER A 1 353 ? -18.588 30.386 12.326 1.00 13.95 ? 351 SER A CB 1 ATOM 2467 O OG . SER A 1 353 ? -18.996 29.581 13.406 1.00 18.09 ? 351 SER A OG 1 ATOM 2468 N N . GLN A 1 354 ? -18.551 27.265 11.256 1.00 12.18 ? 352 GLN A N 1 ATOM 2469 C CA . GLN A 1 354 ? -17.837 25.979 11.153 1.00 11.80 ? 352 GLN A CA 1 ATOM 2470 C C . GLN A 1 354 ? -17.662 25.552 9.712 1.00 11.63 ? 352 GLN A C 1 ATOM 2471 O O . GLN A 1 354 ? -16.569 25.158 9.309 1.00 12.45 ? 352 GLN A O 1 ATOM 2472 C CB . GLN A 1 354 ? -18.586 24.856 11.911 1.00 12.26 ? 352 GLN A CB 1 ATOM 2473 C CG . GLN A 1 354 ? -18.488 24.914 13.435 1.00 12.62 ? 352 GLN A CG 1 ATOM 2474 C CD . GLN A 1 354 ? -19.303 26.024 14.072 1.00 15.58 ? 352 GLN A CD 1 ATOM 2475 O OE1 . GLN A 1 354 ? -20.089 26.722 13.422 1.00 17.22 ? 352 GLN A OE1 1 ATOM 2476 N NE2 . GLN A 1 354 ? -19.107 26.199 15.370 1.00 18.61 ? 352 GLN A NE2 1 ATOM 2477 N N . TYR A 1 355 ? -18.741 25.606 8.939 1.00 11.31 ? 353 TYR A N 1 ATOM 2478 C CA . TYR A 1 355 ? -18.660 25.257 7.521 1.00 12.10 ? 353 TYR A CA 1 ATOM 2479 C C . TYR A 1 355 ? -17.766 26.212 6.706 1.00 11.84 ? 353 TYR A C 1 ATOM 2480 O O . TYR A 1 355 ? -17.003 25.761 5.858 1.00 13.03 ? 353 TYR A O 1 ATOM 2481 C CB . TYR A 1 355 ? -20.057 25.152 6.918 1.00 11.66 ? 353 TYR A CB 1 ATOM 2482 C CG . TYR A 1 355 ? -20.795 23.840 7.232 1.00 12.27 ? 353 TYR A CG 1 ATOM 2483 C CD1 . TYR A 1 355 ? -20.378 22.630 6.683 1.00 12.41 ? 353 TYR A CD1 1 ATOM 2484 C CD2 . TYR A 1 355 ? -21.916 23.831 8.061 1.00 8.63 ? 353 TYR A CD2 1 ATOM 2485 C CE1 . TYR A 1 355 ? -21.060 21.431 6.965 1.00 12.55 ? 353 TYR A CE1 1 ATOM 2486 C CE2 . TYR A 1 355 ? -22.623 22.636 8.348 1.00 10.51 ? 353 TYR A CE2 1 ATOM 2487 C CZ . TYR A 1 355 ? -22.177 21.442 7.799 1.00 11.97 ? 353 TYR A CZ 1 ATOM 2488 O OH . TYR A 1 355 ? -22.849 20.253 8.043 1.00 11.77 ? 353 TYR A OH 1 ATOM 2489 N N . LEU A 1 356 ? -17.820 27.510 6.999 1.00 12.98 ? 354 LEU A N 1 ATOM 2490 C CA . LEU A 1 356 ? -16.895 28.454 6.349 1.00 13.07 ? 354 LEU A CA 1 ATOM 2491 C C . LEU A 1 356 ? -15.433 28.153 6.710 1.00 12.66 ? 354 LEU A C 1 ATOM 2492 O O . LEU A 1 356 ? -14.558 28.228 5.862 1.00 12.60 ? 354 LEU A O 1 ATOM 2493 C CB . LEU A 1 356 ? -17.266 29.900 6.653 1.00 13.75 ? 354 LEU A CB 1 ATOM 2494 C CG . LEU A 1 356 ? -18.581 30.406 6.015 1.00 13.57 ? 354 LEU A CG 1 ATOM 2495 C CD1 . LEU A 1 356 ? -18.885 31.837 6.440 1.00 15.84 ? 354 LEU A CD1 1 ATOM 2496 C CD2 . LEU A 1 356 ? -18.661 30.244 4.489 1.00 14.85 ? 354 LEU A CD2 1 ATOM 2497 N N . LYS A 1 357 ? -15.173 27.804 7.966 1.00 12.14 ? 355 LYS A N 1 ATOM 2498 C CA . LYS A 1 357 ? -13.824 27.396 8.338 1.00 12.99 ? 355 LYS A CA 1 ATOM 2499 C C . LYS A 1 357 ? -13.372 26.177 7.549 1.00 12.74 ? 355 LYS A C 1 ATOM 2500 O O . LYS A 1 357 ? -12.252 26.141 7.047 1.00 12.33 ? 355 LYS A O 1 ATOM 2501 C CB . LYS A 1 357 ? -13.720 27.066 9.809 1.00 12.86 ? 355 LYS A CB 1 ATOM 2502 C CG . LYS A 1 357 ? -12.276 26.870 10.274 1.00 15.56 ? 355 LYS A CG 1 ATOM 2503 C CD . LYS A 1 357 ? -12.186 26.787 11.807 1.00 21.54 ? 355 LYS A CD 1 ATOM 2504 C CE . LYS A 1 357 ? -12.403 28.149 12.470 1.00 22.80 ? 355 LYS A CE 1 ATOM 2505 N NZ . LYS A 1 357 ? -12.619 28.062 13.948 1.00 26.13 ? 355 LYS A NZ 1 ATOM 2506 N N . LEU A 1 358 ? -14.255 25.182 7.462 1.00 12.56 ? 356 LEU A N 1 ATOM 2507 C CA . LEU A 1 358 ? -13.958 23.939 6.775 1.00 12.59 ? 356 LEU A CA 1 ATOM 2508 C C . LEU A 1 358 ? -13.785 24.154 5.269 1.00 13.22 ? 356 LEU A C 1 ATOM 2509 O O . LEU A 1 358 ? -12.927 23.531 4.639 1.00 14.01 ? 356 LEU A O 1 ATOM 2510 C CB . LEU A 1 358 ? -15.043 22.888 7.080 1.00 11.84 ? 356 LEU A CB 1 ATOM 2511 C CG . LEU A 1 358 ? -15.130 22.386 8.542 1.00 12.11 ? 356 LEU A CG 1 ATOM 2512 C CD1 . LEU A 1 358 ? -16.433 21.699 8.806 1.00 14.79 ? 356 LEU A CD1 1 ATOM 2513 C CD2 . LEU A 1 358 ? -13.951 21.438 8.845 1.00 12.38 ? 356 LEU A CD2 1 ATOM 2514 N N . LEU A 1 359 ? -14.589 25.041 4.692 1.00 13.79 ? 357 LEU A N 1 ATOM 2515 C CA . LEU A 1 359 ? -14.482 25.328 3.259 1.00 14.31 ? 357 LEU A CA 1 ATOM 2516 C C . LEU A 1 359 ? -13.258 26.167 2.906 1.00 14.63 ? 357 LEU A C 1 ATOM 2517 O O . LEU A 1 359 ? -12.743 26.057 1.795 1.00 14.17 ? 357 LEU A O 1 ATOM 2518 C CB . LEU A 1 359 ? -15.768 25.965 2.727 1.00 13.24 ? 357 LEU A CB 1 ATOM 2519 C CG . LEU A 1 359 ? -16.965 24.987 2.727 1.00 13.33 ? 357 LEU A CG 1 ATOM 2520 C CD1 . LEU A 1 359 ? -18.288 25.764 2.735 1.00 13.14 ? 357 LEU A CD1 1 ATOM 2521 C CD2 . LEU A 1 359 ? -16.887 24.037 1.534 1.00 12.97 ? 357 LEU A CD2 1 ATOM 2522 N N . SER A 1 360 ? -12.784 26.965 3.865 1.00 16.59 ? 358 SER A N 1 ATOM 2523 C CA . SER A 1 360 ? -11.651 27.898 3.648 1.00 17.92 ? 358 SER A CA 1 ATOM 2524 C C . SER A 1 360 ? -10.386 27.201 3.149 1.00 18.95 ? 358 SER A C 1 ATOM 2525 O O . SER A 1 360 ? -9.656 27.760 2.332 1.00 19.09 ? 358 SER A O 1 ATOM 2526 C CB . SER A 1 360 ? -11.327 28.680 4.930 1.00 18.55 ? 358 SER A CB 1 ATOM 2527 O OG . SER A 1 360 ? -10.765 27.824 5.924 1.00 20.99 ? 358 SER A OG 1 ATOM 2528 N N . SER A 1 361 ? -10.127 25.986 3.638 1.00 19.67 ? 359 SER A N 1 ATOM 2529 C CA . SER A 1 361 ? -8.912 25.254 3.283 1.00 20.51 ? 359 SER A CA 1 ATOM 2530 C C . SER A 1 361 ? -8.998 24.643 1.890 1.00 20.20 ? 359 SER A C 1 ATOM 2531 O O . SER A 1 361 ? -7.969 24.317 1.298 1.00 20.33 ? 359 SER A O 1 ATOM 2532 C CB . SER A 1 361 ? -8.617 24.132 4.290 1.00 21.24 ? 359 SER A CB 1 ATOM 2533 O OG . SER A 1 361 ? -9.514 23.034 4.120 1.00 23.81 ? 359 SER A OG 1 ATOM 2534 N N . GLN A 1 362 ? -10.223 24.475 1.388 1.00 19.30 ? 360 GLN A N 1 ATOM 2535 C CA . GLN A 1 362 ? -10.482 23.771 0.126 1.00 19.74 ? 360 GLN A CA 1 ATOM 2536 C C . GLN A 1 362 ? -9.916 22.326 0.089 1.00 18.98 ? 360 GLN A C 1 ATOM 2537 O O . GLN A 1 362 ? -9.687 21.769 -0.984 1.00 19.41 ? 360 GLN A O 1 ATOM 2538 C CB . GLN A 1 362 ? -10.010 24.599 -1.093 1.00 19.91 ? 360 GLN A CB 1 ATOM 2539 C CG . GLN A 1 362 ? -10.658 26.006 -1.245 1.00 21.96 ? 360 GLN A CG 1 ATOM 2540 C CD . GLN A 1 362 ? -12.092 25.969 -1.796 1.00 23.29 ? 360 GLN A CD 1 ATOM 2541 O OE1 . GLN A 1 362 ? -12.305 26.005 -3.007 1.00 23.35 ? 360 GLN A OE1 1 ATOM 2542 N NE2 . GLN A 1 362 ? -13.080 25.918 -0.896 1.00 23.31 ? 360 GLN A NE2 1 ATOM 2543 N N . LYS A 1 363 ? -9.710 21.727 1.260 1.00 19.00 ? 361 LYS A N 1 ATOM 2544 C CA . LYS A 1 363 ? -9.198 20.355 1.374 1.00 19.30 ? 361 LYS A CA 1 ATOM 2545 C C . LYS A 1 363 ? -10.321 19.303 1.455 1.00 18.00 ? 361 LYS A C 1 ATOM 2546 O O . LYS A 1 363 ? -10.083 18.117 1.186 1.00 18.00 ? 361 LYS A O 1 ATOM 2547 C CB . LYS A 1 363 ? -8.316 20.202 2.628 1.00 19.16 ? 361 LYS A CB 1 ATOM 2548 C CG . LYS A 1 363 ? -7.019 21.007 2.656 1.00 21.86 ? 361 LYS A CG 1 ATOM 2549 C CD . LYS A 1 363 ? -6.367 20.917 4.045 1.00 22.05 ? 361 LYS A CD 1 ATOM 2550 C CE . LYS A 1 363 ? -5.171 21.853 4.176 1.00 28.03 ? 361 LYS A CE 1 ATOM 2551 N NZ . LYS A 1 363 ? -4.602 21.846 5.582 1.00 31.11 ? 361 LYS A NZ 1 ATOM 2552 N N . TYR A 1 364 ? -11.526 19.732 1.855 1.00 16.91 ? 362 TYR A N 1 ATOM 2553 C CA . TYR A 1 364 ? -12.609 18.801 2.222 1.00 15.31 ? 362 TYR A CA 1 ATOM 2554 C C . TYR A 1 364 ? -13.863 18.917 1.349 1.00 14.91 ? 362 TYR A C 1 ATOM 2555 O O . TYR A 1 364 ? -14.301 20.016 1.035 1.00 15.23 ? 362 TYR A O 1 ATOM 2556 C CB . TYR A 1 364 ? -12.996 18.989 3.702 1.00 15.43 ? 362 TYR A CB 1 ATOM 2557 C CG . TYR A 1 364 ? -11.817 19.202 4.614 1.00 15.65 ? 362 TYR A CG 1 ATOM 2558 C CD1 . TYR A 1 364 ? -10.814 18.234 4.723 1.00 15.48 ? 362 TYR A CD1 1 ATOM 2559 C CD2 . TYR A 1 364 ? -11.673 20.389 5.331 1.00 15.79 ? 362 TYR A CD2 1 ATOM 2560 C CE1 . TYR A 1 364 ? -9.707 18.434 5.537 1.00 16.08 ? 362 TYR A CE1 1 ATOM 2561 C CE2 . TYR A 1 364 ? -10.556 20.600 6.161 1.00 17.64 ? 362 TYR A CE2 1 ATOM 2562 C CZ . TYR A 1 364 ? -9.581 19.611 6.251 1.00 17.58 ? 362 TYR A CZ 1 ATOM 2563 O OH . TYR A 1 364 ? -8.483 19.796 7.062 1.00 16.80 ? 362 TYR A OH 1 ATOM 2564 N N . GLN A 1 365 ? -14.439 17.771 0.991 1.00 14.29 ? 363 GLN A N 1 ATOM 2565 C CA . GLN A 1 365 ? -15.707 17.723 0.280 1.00 14.03 ? 363 GLN A CA 1 ATOM 2566 C C . GLN A 1 365 ? -16.838 17.582 1.298 1.00 12.83 ? 363 GLN A C 1 ATOM 2567 O O . GLN A 1 365 ? -16.765 16.771 2.223 1.00 12.40 ? 363 GLN A O 1 ATOM 2568 C CB . GLN A 1 365 ? -15.722 16.558 -0.700 1.00 14.61 ? 363 GLN A CB 1 ATOM 2569 C CG . GLN A 1 365 ? -14.724 16.718 -1.866 1.00 19.52 ? 363 GLN A CG 1 ATOM 2570 C CD . GLN A 1 365 ? -14.922 18.003 -2.685 1.00 22.44 ? 363 GLN A CD 1 ATOM 2571 O OE1 . GLN A 1 365 ? -16.039 18.441 -2.935 1.00 26.02 ? 363 GLN A OE1 1 ATOM 2572 N NE2 . GLN A 1 365 ? -13.821 18.598 -3.105 1.00 25.53 ? 363 GLN A NE2 1 ATOM 2573 N N . ILE A 1 366 ? -17.860 18.407 1.138 1.00 11.34 ? 364 ILE A N 1 ATOM 2574 C CA . ILE A 1 366 ? -18.943 18.499 2.106 1.00 9.73 ? 364 ILE A CA 1 ATOM 2575 C C . ILE A 1 366 ? -20.275 18.206 1.415 1.00 9.51 ? 364 ILE A C 1 ATOM 2576 O O . ILE A 1 366 ? -20.552 18.705 0.315 1.00 8.63 ? 364 ILE A O 1 ATOM 2577 C CB . ILE A 1 366 ? -18.951 19.876 2.773 1.00 10.48 ? 364 ILE A CB 1 ATOM 2578 C CG1 . ILE A 1 366 ? -17.588 20.116 3.458 1.00 10.83 ? 364 ILE A CG1 1 ATOM 2579 C CG2 . ILE A 1 366 ? -20.104 19.995 3.787 1.00 10.20 ? 364 ILE A CG2 1 ATOM 2580 C CD1 . ILE A 1 366 ? -17.392 21.467 4.151 1.00 10.29 ? 364 ILE A CD1 1 ATOM 2581 N N . LEU A 1 367 ? -21.075 17.356 2.055 1.00 8.47 ? 365 LEU A N 1 ATOM 2582 C CA . LEU A 1 367 ? -22.411 17.043 1.569 1.00 7.98 ? 365 LEU A CA 1 ATOM 2583 C C . LEU A 1 367 ? -23.448 17.230 2.671 1.00 7.69 ? 365 LEU A C 1 ATOM 2584 O O . LEU A 1 367 ? -23.241 16.770 3.785 1.00 7.83 ? 365 LEU A O 1 ATOM 2585 C CB . LEU A 1 367 ? -22.455 15.598 1.089 1.00 8.39 ? 365 LEU A CB 1 ATOM 2586 C CG . LEU A 1 367 ? -23.847 15.073 0.743 1.00 6.53 ? 365 LEU A CG 1 ATOM 2587 C CD1 . LEU A 1 367 ? -24.472 15.793 -0.482 1.00 7.36 ? 365 LEU A CD1 1 ATOM 2588 C CD2 . LEU A 1 367 ? -23.723 13.571 0.534 1.00 7.55 ? 365 LEU A CD2 1 ATOM 2589 N N . LEU A 1 368 ? -24.537 17.939 2.370 1.00 7.85 ? 366 LEU A N 1 ATOM 2590 C CA . LEU A 1 368 ? -25.698 17.980 3.234 1.00 8.29 ? 366 LEU A CA 1 ATOM 2591 C C . LEU A 1 368 ? -26.818 17.357 2.418 1.00 8.79 ? 366 LEU A C 1 ATOM 2592 O O . LEU A 1 368 ? -27.121 17.811 1.300 1.00 8.83 ? 366 LEU A O 1 ATOM 2593 C CB . LEU A 1 368 ? -26.069 19.411 3.691 1.00 9.05 ? 366 LEU A CB 1 ATOM 2594 C CG . LEU A 1 368 ? -25.342 20.001 4.917 1.00 8.73 ? 366 LEU A CG 1 ATOM 2595 C CD1 . LEU A 1 368 ? -23.891 20.314 4.658 1.00 9.43 ? 366 LEU A CD1 1 ATOM 2596 C CD2 . LEU A 1 368 ? -26.026 21.257 5.463 1.00 8.49 ? 366 LEU A CD2 1 ATOM 2597 N N . TYR A 1 369 ? -27.398 16.292 2.950 1.00 7.85 ? 367 TYR A N 1 ATOM 2598 C CA . TYR A 1 369 ? -28.456 15.586 2.227 1.00 7.75 ? 367 TYR A CA 1 ATOM 2599 C C . TYR A 1 369 ? -29.692 15.481 3.111 1.00 7.58 ? 367 TYR A C 1 ATOM 2600 O O . TYR A 1 369 ? -29.545 15.319 4.324 1.00 6.33 ? 367 TYR A O 1 ATOM 2601 C CB . TYR A 1 369 ? -27.943 14.214 1.757 1.00 8.08 ? 367 TYR A CB 1 ATOM 2602 C CG . TYR A 1 369 ? -27.638 13.233 2.860 1.00 7.71 ? 367 TYR A CG 1 ATOM 2603 C CD1 . TYR A 1 369 ? -26.375 13.187 3.448 1.00 7.00 ? 367 TYR A CD1 1 ATOM 2604 C CD2 . TYR A 1 369 ? -28.611 12.319 3.288 1.00 9.09 ? 367 TYR A CD2 1 ATOM 2605 C CE1 . TYR A 1 369 ? -26.085 12.289 4.462 1.00 8.68 ? 367 TYR A CE1 1 ATOM 2606 C CE2 . TYR A 1 369 ? -28.328 11.390 4.292 1.00 10.11 ? 367 TYR A CE2 1 ATOM 2607 C CZ . TYR A 1 369 ? -27.062 11.399 4.882 1.00 8.33 ? 367 TYR A CZ 1 ATOM 2608 O OH . TYR A 1 369 ? -26.773 10.522 5.909 1.00 8.51 ? 367 TYR A OH 1 ATOM 2609 N N . ASN A 1 370 ? -30.883 15.630 2.514 1.00 7.53 ? 368 ASN A N 1 ATOM 2610 C CA . ASN A 1 370 ? -32.137 15.679 3.267 1.00 7.45 ? 368 ASN A CA 1 ATOM 2611 C C . ASN A 1 370 ? -33.242 14.878 2.572 1.00 7.91 ? 368 ASN A C 1 ATOM 2612 O O . ASN A 1 370 ? -33.620 15.167 1.412 1.00 8.59 ? 368 ASN A O 1 ATOM 2613 C CB . ASN A 1 370 ? -32.630 17.142 3.468 1.00 7.90 ? 368 ASN A CB 1 ATOM 2614 C CG . ASN A 1 370 ? -31.846 17.933 4.542 1.00 7.61 ? 368 ASN A CG 1 ATOM 2615 O OD1 . ASN A 1 370 ? -30.678 18.249 4.369 1.00 6.35 ? 368 ASN A OD1 1 ATOM 2616 N ND2 . ASN A 1 370 ? -32.541 18.343 5.607 1.00 5.92 ? 368 ASN A ND2 1 ATOM 2617 N N . GLY A 1 371 ? -33.815 13.927 3.310 1.00 7.98 ? 369 GLY A N 1 ATOM 2618 C CA . GLY A 1 371 ? -35.090 13.346 2.919 1.00 7.22 ? 369 GLY A CA 1 ATOM 2619 C C . GLY A 1 371 ? -36.092 14.494 2.901 1.00 8.06 ? 369 GLY A C 1 ATOM 2620 O O . GLY A 1 371 ? -36.183 15.281 3.860 1.00 8.21 ? 369 GLY A O 1 ATOM 2621 N N . ASP A 1 372 ? -36.835 14.605 1.804 1.00 7.56 ? 370 ASP A N 1 ATOM 2622 C CA . ASP A 1 372 ? -37.700 15.771 1.618 1.00 7.50 ? 370 ASP A CA 1 ATOM 2623 C C . ASP A 1 372 ? -39.134 15.625 2.196 1.00 7.08 ? 370 ASP A C 1 ATOM 2624 O O . ASP A 1 372 ? -39.977 16.513 1.968 1.00 7.36 ? 370 ASP A O 1 ATOM 2625 C CB . ASP A 1 372 ? -37.726 16.177 0.140 1.00 7.63 ? 370 ASP A CB 1 ATOM 2626 C CG . ASP A 1 372 ? -38.414 15.144 -0.744 1.00 7.67 ? 370 ASP A CG 1 ATOM 2627 O OD1 . ASP A 1 372 ? -38.923 14.123 -0.221 1.00 8.14 ? 370 ASP A OD1 1 ATOM 2628 O OD2 . ASP A 1 372 ? -38.450 15.356 -1.978 1.00 10.30 ? 370 ASP A OD2 1 ATOM 2629 N N . VAL A 1 373 ? -39.403 14.540 2.939 1.00 6.75 ? 371 VAL A N 1 ATOM 2630 C CA . VAL A 1 373 ? -40.678 14.401 3.710 1.00 6.76 ? 371 VAL A CA 1 ATOM 2631 C C . VAL A 1 373 ? -40.493 14.406 5.237 1.00 7.29 ? 371 VAL A C 1 ATOM 2632 O O . VAL A 1 373 ? -41.455 14.225 6.009 1.00 8.23 ? 371 VAL A O 1 ATOM 2633 C CB . VAL A 1 373 ? -41.595 13.224 3.213 1.00 6.79 ? 371 VAL A CB 1 ATOM 2634 C CG1 . VAL A 1 373 ? -41.908 13.411 1.702 1.00 6.56 ? 371 VAL A CG1 1 ATOM 2635 C CG2 . VAL A 1 373 ? -40.972 11.863 3.480 1.00 5.77 ? 371 VAL A CG2 1 ATOM 2636 N N . ASP A 1 374 ? -39.264 14.664 5.660 1.00 7.00 ? 372 ASP A N 1 ATOM 2637 C CA . ASP A 1 374 ? -38.957 14.909 7.048 1.00 8.41 ? 372 ASP A CA 1 ATOM 2638 C C . ASP A 1 374 ? -39.478 16.281 7.476 1.00 8.18 ? 372 ASP A C 1 ATOM 2639 O O . ASP A 1 374 ? -39.346 17.254 6.735 1.00 7.99 ? 372 ASP A O 1 ATOM 2640 C CB . ASP A 1 374 ? -37.449 14.855 7.253 1.00 8.32 ? 372 ASP A CB 1 ATOM 2641 C CG . ASP A 1 374 ? -37.057 15.036 8.693 1.00 9.28 ? 372 ASP A CG 1 ATOM 2642 O OD1 . ASP A 1 374 ? -37.866 14.668 9.553 1.00 8.01 ? 372 ASP A OD1 1 ATOM 2643 O OD2 . ASP A 1 374 ? -35.941 15.521 8.957 1.00 9.05 ? 372 ASP A OD2 1 ATOM 2644 N N . MET A 1 375 ? -40.049 16.345 8.682 1.00 8.27 ? 373 MET A N 1 ATOM 2645 C CA . MET A 1 375 ? -40.462 17.624 9.277 1.00 8.35 ? 373 MET A CA 1 ATOM 2646 C C . MET A 1 375 ? -39.616 18.015 10.481 1.00 7.96 ? 373 MET A C 1 ATOM 2647 O O . MET A 1 375 ? -39.724 19.146 10.955 1.00 8.80 ? 373 MET A O 1 ATOM 2648 C CB . MET A 1 375 ? -41.949 17.605 9.676 1.00 8.26 ? 373 MET A CB 1 ATOM 2649 C CG . MET A 1 375 ? -42.892 17.280 8.493 1.00 7.78 ? 373 MET A CG 1 ATOM 2650 S SD . MET A 1 375 ? -44.590 17.748 8.891 1.00 9.73 ? 373 MET A SD 1 ATOM 2651 C CE . MET A 1 375 ? -45.001 16.485 10.135 1.00 9.52 ? 373 MET A CE 1 ATOM 2652 N N . ALA A 1 376 ? -38.772 17.102 10.964 1.00 8.05 ? 374 ALA A N 1 ATOM 2653 C CA . ALA A 1 376 ? -37.949 17.401 12.148 1.00 8.00 ? 374 ALA A CA 1 ATOM 2654 C C . ALA A 1 376 ? -36.784 18.303 11.728 1.00 8.10 ? 374 ALA A C 1 ATOM 2655 O O . ALA A 1 376 ? -36.480 19.300 12.402 1.00 7.71 ? 374 ALA A O 1 ATOM 2656 C CB . ALA A 1 376 ? -37.453 16.099 12.828 1.00 7.42 ? 374 ALA A CB 1 ATOM 2657 N N . CYS A 1 377 ? -36.171 17.980 10.584 1.00 7.82 ? 375 CYS A N 1 ATOM 2658 C CA . CYS A 1 377 ? -35.141 18.822 9.972 1.00 9.12 ? 375 CYS A CA 1 ATOM 2659 C C . CYS A 1 377 ? -35.375 18.868 8.476 1.00 8.20 ? 375 CYS A C 1 ATOM 2660 O O . CYS A 1 377 ? -34.671 18.198 7.717 1.00 8.01 ? 375 CYS A O 1 ATOM 2661 C CB . CYS A 1 377 ? -33.738 18.257 10.181 1.00 10.45 ? 375 CYS A CB 1 ATOM 2662 S SG . CYS A 1 377 ? -33.156 18.336 11.854 1.00 18.27 ? 375 CYS A SG 1 ATOM 2663 N N . ASN A 1 378 ? -36.307 19.708 8.062 1.00 7.00 ? 376 ASN A N 1 ATOM 2664 C CA . ASN A 1 378 ? -36.813 19.672 6.706 1.00 7.36 ? 376 ASN A CA 1 ATOM 2665 C C . ASN A 1 378 ? -35.743 20.083 5.677 1.00 7.02 ? 376 ASN A C 1 ATOM 2666 O O . ASN A 1 378 ? -34.798 20.833 5.998 1.00 7.34 ? 376 ASN A O 1 ATOM 2667 C CB . ASN A 1 378 ? -38.080 20.514 6.587 1.00 6.14 ? 376 ASN A CB 1 ATOM 2668 C CG . ASN A 1 378 ? -37.781 21.988 6.492 1.00 7.78 ? 376 ASN A CG 1 ATOM 2669 O OD1 . ASN A 1 378 ? -37.500 22.513 5.397 1.00 5.44 ? 376 ASN A OD1 1 ATOM 2670 N ND2 . ASN A 1 378 ? -37.834 22.670 7.618 1.00 6.39 ? 376 ASN A ND2 1 ATOM 2671 N N . PHE A 1 379 ? -35.891 19.581 4.457 1.00 7.36 ? 377 PHE A N 1 ATOM 2672 C CA . PHE A 1 379 ? -34.904 19.817 3.391 1.00 7.39 ? 377 PHE A CA 1 ATOM 2673 C C . PHE A 1 379 ? -34.694 21.302 3.101 1.00 8.23 ? 377 PHE A C 1 ATOM 2674 O O . PHE A 1 379 ? -33.584 21.702 2.763 1.00 8.36 ? 377 PHE A O 1 ATOM 2675 C CB . PHE A 1 379 ? -35.313 19.073 2.099 1.00 7.55 ? 377 PHE A CB 1 ATOM 2676 C CG . PHE A 1 379 ? -36.427 19.753 1.333 1.00 7.63 ? 377 PHE A CG 1 ATOM 2677 C CD1 . PHE A 1 379 ? -37.761 19.502 1.652 1.00 7.27 ? 377 PHE A CD1 1 ATOM 2678 C CD2 . PHE A 1 379 ? -36.132 20.676 0.328 1.00 8.12 ? 377 PHE A CD2 1 ATOM 2679 C CE1 . PHE A 1 379 ? -38.782 20.133 0.972 1.00 8.49 ? 377 PHE A CE1 1 ATOM 2680 C CE2 . PHE A 1 379 ? -37.168 21.354 -0.360 1.00 10.28 ? 377 PHE A CE2 1 ATOM 2681 C CZ . PHE A 1 379 ? -38.490 21.090 -0.019 1.00 7.57 ? 377 PHE A CZ 1 ATOM 2682 N N . MET A 1 380 ? -35.761 22.114 3.174 1.00 7.67 ? 378 MET A N 1 ATOM 2683 C CA . MET A 1 380 ? -35.655 23.474 2.633 1.00 8.80 ? 378 MET A CA 1 ATOM 2684 C C . MET A 1 380 ? -34.751 24.358 3.500 1.00 8.47 ? 378 MET A C 1 ATOM 2685 O O . MET A 1 380 ? -33.973 25.156 2.991 1.00 8.10 ? 378 MET A O 1 ATOM 2686 C CB . MET A 1 380 ? -37.035 24.125 2.477 1.00 8.87 ? 378 MET A CB 1 ATOM 2687 C CG . MET A 1 380 ? -36.945 25.575 1.962 1.00 9.01 ? 378 MET A CG 1 ATOM 2688 S SD . MET A 1 380 ? -38.516 26.206 1.329 1.00 10.52 ? 378 MET A SD 1 ATOM 2689 C CE . MET A 1 380 ? -38.750 25.161 -0.103 1.00 8.42 ? 378 MET A CE 1 ATOM 2690 N N . GLY A 1 381 ? -34.866 24.215 4.815 1.00 8.22 ? 379 GLY A N 1 ATOM 2691 C CA . GLY A 1 381 ? -33.992 24.970 5.737 1.00 8.61 ? 379 GLY A CA 1 ATOM 2692 C C . GLY A 1 381 ? -32.511 24.708 5.476 1.00 9.26 ? 379 GLY A C 1 ATOM 2693 O O . GLY A 1 381 ? -31.682 25.615 5.583 1.00 8.74 ? 379 GLY A O 1 ATOM 2694 N N . ASP A 1 382 ? -32.165 23.461 5.156 1.00 9.45 ? 380 ASP A N 1 ATOM 2695 C CA . ASP A 1 382 ? -30.762 23.129 4.880 1.00 9.80 ? 380 ASP A CA 1 ATOM 2696 C C . ASP A 1 382 ? -30.329 23.573 3.495 1.00 9.90 ? 380 ASP A C 1 ATOM 2697 O O . ASP A 1 382 ? -29.166 23.935 3.311 1.00 10.37 ? 380 ASP A O 1 ATOM 2698 C CB . ASP A 1 382 ? -30.504 21.637 5.066 1.00 10.01 ? 380 ASP A CB 1 ATOM 2699 C CG . ASP A 1 382 ? -30.306 21.272 6.523 1.00 15.38 ? 380 ASP A CG 1 ATOM 2700 O OD1 . ASP A 1 382 ? -29.542 22.008 7.197 1.00 19.22 ? 380 ASP A OD1 1 ATOM 2701 O OD2 . ASP A 1 382 ? -30.899 20.267 6.990 1.00 13.85 ? 380 ASP A OD2 1 ATOM 2702 N N . GLU A 1 383 ? -31.254 23.556 2.527 1.00 8.71 ? 381 GLU A N 1 ATOM 2703 C CA . GLU A 1 383 ? -30.944 24.116 1.209 1.00 8.10 ? 381 GLU A CA 1 ATOM 2704 C C . GLU A 1 383 ? -30.687 25.619 1.325 1.00 8.78 ? 381 GLU A C 1 ATOM 2705 O O . GLU A 1 383 ? -29.714 26.126 0.761 1.00 8.40 ? 381 GLU A O 1 ATOM 2706 C CB . GLU A 1 383 ? -32.040 23.842 0.163 1.00 7.35 ? 381 GLU A CB 1 ATOM 2707 C CG . GLU A 1 383 ? -31.630 24.384 -1.239 1.00 8.18 ? 381 GLU A CG 1 ATOM 2708 C CD . GLU A 1 383 ? -32.291 23.687 -2.430 1.00 8.86 ? 381 GLU A CD 1 ATOM 2709 O OE1 . GLU A 1 383 ? -33.283 22.951 -2.262 1.00 10.54 ? 381 GLU A OE1 1 ATOM 2710 O OE2 . GLU A 1 383 ? -31.779 23.878 -3.557 1.00 9.92 ? 381 GLU A OE2 1 ATOM 2711 N N . TRP A 1 384 ? -31.542 26.319 2.069 1.00 8.32 ? 382 TRP A N 1 ATOM 2712 C CA . TRP A 1 384 ? -31.320 27.739 2.345 1.00 8.62 ? 382 TRP A CA 1 ATOM 2713 C C . TRP A 1 384 ? -29.949 27.932 2.999 1.00 9.13 ? 382 TRP A C 1 ATOM 2714 O O . TRP A 1 384 ? -29.188 28.848 2.603 1.00 8.81 ? 382 TRP A O 1 ATOM 2715 C CB . TRP A 1 384 ? -32.390 28.300 3.278 1.00 9.61 ? 382 TRP A CB 1 ATOM 2716 C CG . TRP A 1 384 ? -33.787 28.426 2.681 1.00 10.02 ? 382 TRP A CG 1 ATOM 2717 C CD1 . TRP A 1 384 ? -34.189 28.221 1.369 1.00 10.68 ? 382 TRP A CD1 1 ATOM 2718 C CD2 . TRP A 1 384 ? -34.945 28.841 3.395 1.00 10.97 ? 382 TRP A CD2 1 ATOM 2719 N NE1 . TRP A 1 384 ? -35.565 28.465 1.255 1.00 8.54 ? 382 TRP A NE1 1 ATOM 2720 C CE2 . TRP A 1 384 ? -36.035 28.850 2.487 1.00 11.22 ? 382 TRP A CE2 1 ATOM 2721 C CE3 . TRP A 1 384 ? -35.171 29.210 4.731 1.00 13.39 ? 382 TRP A CE3 1 ATOM 2722 C CZ2 . TRP A 1 384 ? -37.329 29.219 2.878 1.00 11.25 ? 382 TRP A CZ2 1 ATOM 2723 C CZ3 . TRP A 1 384 ? -36.462 29.578 5.113 1.00 10.78 ? 382 TRP A CZ3 1 ATOM 2724 C CH2 . TRP A 1 384 ? -37.520 29.568 4.189 1.00 10.81 ? 382 TRP A CH2 1 ATOM 2725 N N . PHE A 1 385 ? -29.638 27.054 3.958 1.00 8.46 ? 383 PHE A N 1 ATOM 2726 C CA . PHE A 1 385 ? -28.376 27.122 4.701 1.00 8.51 ? 383 PHE A CA 1 ATOM 2727 C C . PHE A 1 385 ? -27.154 27.055 3.778 1.00 8.29 ? 383 PHE A C 1 ATOM 2728 O O . PHE A 1 385 ? -26.272 27.941 3.824 1.00 8.14 ? 383 PHE A O 1 ATOM 2729 C CB . PHE A 1 385 ? -28.315 26.059 5.821 1.00 9.08 ? 383 PHE A CB 1 ATOM 2730 C CG . PHE A 1 385 ? -27.030 26.077 6.582 1.00 9.52 ? 383 PHE A CG 1 ATOM 2731 C CD1 . PHE A 1 385 ? -26.807 27.034 7.585 1.00 10.24 ? 383 PHE A CD1 1 ATOM 2732 C CD2 . PHE A 1 385 ? -26.012 25.194 6.261 1.00 9.15 ? 383 PHE A CD2 1 ATOM 2733 C CE1 . PHE A 1 385 ? -25.575 27.082 8.276 1.00 10.42 ? 383 PHE A CE1 1 ATOM 2734 C CE2 . PHE A 1 385 ? -24.768 25.241 6.960 1.00 10.22 ? 383 PHE A CE2 1 ATOM 2735 C CZ . PHE A 1 385 ? -24.569 26.176 7.953 1.00 9.42 ? 383 PHE A CZ 1 ATOM 2736 N N . VAL A 1 386 ? -27.116 26.050 2.902 1.00 8.34 ? 384 VAL A N 1 ATOM 2737 C CA . VAL A 1 386 ? -25.981 25.881 1.974 1.00 7.76 ? 384 VAL A CA 1 ATOM 2738 C C . VAL A 1 386 ? -25.851 27.055 1.000 1.00 8.78 ? 384 VAL A C 1 ATOM 2739 O O . VAL A 1 386 ? -24.756 27.596 0.786 1.00 8.01 ? 384 VAL A O 1 ATOM 2740 C CB . VAL A 1 386 ? -26.070 24.529 1.230 1.00 7.87 ? 384 VAL A CB 1 ATOM 2741 C CG1 . VAL A 1 386 ? -24.923 24.386 0.193 1.00 8.63 ? 384 VAL A CG1 1 ATOM 2742 C CG2 . VAL A 1 386 ? -26.036 23.363 2.246 1.00 6.08 ? 384 VAL A CG2 1 ATOM 2743 N N . ASP A 1 387 ? -26.978 27.456 0.412 1.00 9.34 ? 385 ASP A N 1 ATOM 2744 C CA . ASP A 1 387 ? -27.014 28.629 -0.464 1.00 8.92 ? 385 ASP A CA 1 ATOM 2745 C C . ASP A 1 387 ? -26.437 29.874 0.222 1.00 9.47 ? 385 ASP A C 1 ATOM 2746 O O . ASP A 1 387 ? -25.666 30.638 -0.383 1.00 7.75 ? 385 ASP A O 1 ATOM 2747 C CB . ASP A 1 387 ? -28.448 28.875 -0.927 1.00 8.66 ? 385 ASP A CB 1 ATOM 2748 C CG . ASP A 1 387 ? -28.896 27.883 -2.001 1.00 10.01 ? 385 ASP A CG 1 ATOM 2749 O OD1 . ASP A 1 387 ? -28.079 27.094 -2.517 1.00 10.95 ? 385 ASP A OD1 1 ATOM 2750 O OD2 . ASP A 1 387 ? -30.086 27.873 -2.333 1.00 13.26 ? 385 ASP A OD2 1 ATOM 2751 N N . SER A 1 388 ? -26.821 30.075 1.483 1.00 9.62 ? 386 SER A N 1 ATOM 2752 C CA . SER A 1 388 ? -26.392 31.256 2.253 1.00 10.79 ? 386 SER A CA 1 ATOM 2753 C C . SER A 1 388 ? -24.882 31.282 2.595 1.00 11.02 ? 386 SER A C 1 ATOM 2754 O O . SER A 1 388 ? -24.329 32.333 2.977 1.00 9.60 ? 386 SER A O 1 ATOM 2755 C CB . SER A 1 388 ? -27.266 31.421 3.500 1.00 11.46 ? 386 SER A CB 1 ATOM 2756 O OG . SER A 1 388 ? -26.906 30.448 4.458 1.00 17.78 ? 386 SER A OG 1 ATOM 2757 N N . LEU A 1 389 ? -24.211 30.140 2.458 1.00 10.48 ? 387 LEU A N 1 ATOM 2758 C CA . LEU A 1 389 ? -22.742 30.111 2.562 1.00 11.06 ? 387 LEU A CA 1 ATOM 2759 C C . LEU A 1 389 ? -22.071 30.851 1.403 1.00 11.67 ? 387 LEU A C 1 ATOM 2760 O O . LEU A 1 389 ? -20.884 31.163 1.484 1.00 11.52 ? 387 LEU A O 1 ATOM 2761 C CB . LEU A 1 389 ? -22.224 28.671 2.635 1.00 10.96 ? 387 LEU A CB 1 ATOM 2762 C CG . LEU A 1 389 ? -22.689 27.816 3.824 1.00 11.58 ? 387 LEU A CG 1 ATOM 2763 C CD1 . LEU A 1 389 ? -22.111 26.409 3.650 1.00 10.46 ? 387 LEU A CD1 1 ATOM 2764 C CD2 . LEU A 1 389 ? -22.223 28.474 5.126 1.00 12.43 ? 387 LEU A CD2 1 ATOM 2765 N N . ASN A 1 390 ? -22.835 31.123 0.334 1.00 11.87 ? 388 ASN A N 1 ATOM 2766 C CA . ASN A 1 390 ? -22.399 31.998 -0.768 1.00 12.43 ? 388 ASN A CA 1 ATOM 2767 C C . ASN A 1 390 ? -21.067 31.559 -1.387 1.00 12.05 ? 388 ASN A C 1 ATOM 2768 O O . ASN A 1 390 ? -20.201 32.397 -1.638 1.00 11.90 ? 388 ASN A O 1 ATOM 2769 C CB . ASN A 1 390 ? -22.315 33.459 -0.270 1.00 12.82 ? 388 ASN A CB 1 ATOM 2770 C CG . ASN A 1 390 ? -22.167 34.502 -1.415 1.00 15.35 ? 388 ASN A CG 1 ATOM 2771 O OD1 . ASN A 1 390 ? -22.692 34.339 -2.522 1.00 16.58 ? 388 ASN A OD1 1 ATOM 2772 N ND2 . ASN A 1 390 ? -21.467 35.595 -1.113 1.00 17.78 ? 388 ASN A ND2 1 ATOM 2773 N N . GLN A 1 391 ? -20.892 30.256 -1.614 1.00 11.90 ? 389 GLN A N 1 ATOM 2774 C CA . GLN A 1 391 ? -19.628 29.734 -2.178 1.00 11.71 ? 389 GLN A CA 1 ATOM 2775 C C . GLN A 1 391 ? -19.521 29.969 -3.691 1.00 12.34 ? 389 GLN A C 1 ATOM 2776 O O . GLN A 1 391 ? -20.525 30.276 -4.346 1.00 11.34 ? 389 GLN A O 1 ATOM 2777 C CB . GLN A 1 391 ? -19.448 28.247 -1.814 1.00 11.77 ? 389 GLN A CB 1 ATOM 2778 C CG . GLN A 1 391 ? -19.316 28.023 -0.296 1.00 12.15 ? 389 GLN A CG 1 ATOM 2779 C CD . GLN A 1 391 ? -18.105 28.749 0.306 1.00 12.11 ? 389 GLN A CD 1 ATOM 2780 O OE1 . GLN A 1 391 ? -16.964 28.334 0.103 1.00 15.50 ? 389 GLN A OE1 1 ATOM 2781 N NE2 . GLN A 1 391 ? -18.355 29.838 1.033 1.00 11.49 ? 389 GLN A NE2 1 ATOM 2782 N N . LYS A 1 392 ? -18.303 29.825 -4.229 1.00 12.70 ? 390 LYS A N 1 ATOM 2783 C CA . LYS A 1 392 ? -18.023 30.019 -5.658 1.00 13.20 ? 390 LYS A CA 1 ATOM 2784 C C . LYS A 1 392 ? -18.372 28.747 -6.443 1.00 13.22 ? 390 LYS A C 1 ATOM 2785 O O . LYS A 1 392 ? -18.798 27.762 -5.851 1.00 12.73 ? 390 LYS A O 1 ATOM 2786 C CB . LYS A 1 392 ? -16.543 30.340 -5.860 1.00 13.34 ? 390 LYS A CB 1 ATOM 2787 C CG . LYS A 1 392 ? -16.143 31.758 -5.491 1.00 15.44 ? 390 LYS A CG 1 ATOM 2788 C CD . LYS A 1 392 ? -14.609 31.874 -5.558 1.00 18.70 ? 390 LYS A CD 1 ATOM 2789 C CE . LYS A 1 392 ? -14.124 33.204 -5.028 1.00 20.58 ? 390 LYS A CE 1 ATOM 2790 N NZ . LYS A 1 392 ? -12.638 33.166 -4.856 1.00 20.90 ? 390 LYS A NZ 1 ATOM 2791 N N . MET A 1 393 ? -18.182 28.801 -7.763 1.00 13.07 ? 391 MET A N 1 ATOM 2792 C CA . MET A 1 393 ? -18.539 27.744 -8.730 1.00 14.45 ? 391 MET A CA 1 ATOM 2793 C C . MET A 1 393 ? -19.937 27.153 -8.501 1.00 13.06 ? 391 MET A C 1 ATOM 2794 O O . MET A 1 393 ? -20.124 25.934 -8.513 1.00 12.22 ? 391 MET A O 1 ATOM 2795 C CB . MET A 1 393 ? -17.473 26.653 -8.797 1.00 13.87 ? 391 MET A CB 1 ATOM 2796 C CG . MET A 1 393 ? -16.103 27.160 -9.299 1.00 17.34 ? 391 MET A CG 1 ATOM 2797 S SD . MET A 1 393 ? -14.891 25.859 -9.047 1.00 20.38 ? 391 MET A SD 1 ATOM 2798 C CE . MET A 1 393 ? -15.363 24.645 -10.251 1.00 22.39 ? 391 MET A CE 1 ATOM 2799 N N . GLU A 1 394 ? -20.904 28.040 -8.304 1.00 11.94 ? 392 GLU A N 1 ATOM 2800 C CA . GLU A 1 394 ? -22.309 27.647 -8.238 1.00 12.29 ? 392 GLU A CA 1 ATOM 2801 C C . GLU A 1 394 ? -22.742 26.942 -9.537 1.00 12.45 ? 392 GLU A C 1 ATOM 2802 O O . GLU A 1 394 ? -22.491 27.431 -10.649 1.00 12.43 ? 392 GLU A O 1 ATOM 2803 C CB . GLU A 1 394 ? -23.193 28.872 -7.985 1.00 11.88 ? 392 GLU A CB 1 ATOM 2804 C CG . GLU A 1 394 ? -24.681 28.522 -7.872 1.00 12.28 ? 392 GLU A CG 1 ATOM 2805 C CD . GLU A 1 394 ? -25.551 29.713 -7.592 1.00 15.41 ? 392 GLU A CD 1 ATOM 2806 O OE1 . GLU A 1 394 ? -25.007 30.825 -7.353 1.00 15.17 ? 392 GLU A OE1 1 ATOM 2807 O OE2 . GLU A 1 394 ? -26.792 29.533 -7.631 1.00 14.35 ? 392 GLU A OE2 1 ATOM 2808 N N . VAL A 1 395 ? -23.387 25.796 -9.373 1.00 12.07 ? 393 VAL A N 1 ATOM 2809 C CA . VAL A 1 395 ? -23.915 25.014 -10.472 1.00 13.52 ? 393 VAL A CA 1 ATOM 2810 C C . VAL A 1 395 ? -25.432 25.194 -10.515 1.00 13.48 ? 393 VAL A C 1 ATOM 2811 O O . VAL A 1 395 ? -26.068 25.375 -9.472 1.00 12.90 ? 393 VAL A O 1 ATOM 2812 C CB . VAL A 1 395 ? -23.592 23.497 -10.263 1.00 12.92 ? 393 VAL A CB 1 ATOM 2813 C CG1 . VAL A 1 395 ? -24.037 22.648 -11.460 1.00 13.56 ? 393 VAL A CG1 1 ATOM 2814 C CG2 . VAL A 1 395 ? -22.116 23.294 -9.980 1.00 15.90 ? 393 VAL A CG2 1 ATOM 2815 N N . GLN A 1 396 ? -26.011 25.148 -11.715 1.00 13.15 ? 394 GLN A N 1 ATOM 2816 C CA . GLN A 1 396 ? -27.463 25.086 -11.858 1.00 14.34 ? 394 GLN A CA 1 ATOM 2817 C C . GLN A 1 396 ? -28.021 23.851 -11.113 1.00 12.37 ? 394 GLN A C 1 ATOM 2818 O O . GLN A 1 396 ? -27.432 22.775 -11.137 1.00 11.11 ? 394 GLN A O 1 ATOM 2819 C CB . GLN A 1 396 ? -27.816 25.076 -13.361 1.00 14.58 ? 394 GLN A CB 1 ATOM 2820 C CG . GLN A 1 396 ? -29.179 24.564 -13.759 1.00 17.99 ? 394 GLN A CG 1 ATOM 2821 C CD . GLN A 1 396 ? -29.292 24.388 -15.276 1.00 19.64 ? 394 GLN A CD 1 ATOM 2822 O OE1 . GLN A 1 396 ? -29.185 25.358 -16.044 1.00 26.26 ? 394 GLN A OE1 1 ATOM 2823 N NE2 . GLN A 1 396 ? -29.479 23.149 -15.712 1.00 25.65 ? 394 GLN A NE2 1 ATOM 2824 N N . ARG A 1 397 ? -29.133 24.031 -10.408 1.00 11.27 ? 395 ARG A N 1 ATOM 2825 C CA . ARG A 1 397 ? -29.779 22.919 -9.696 1.00 10.05 ? 395 ARG A CA 1 ATOM 2826 C C . ARG A 1 397 ? -30.260 21.872 -10.690 1.00 9.63 ? 395 ARG A C 1 ATOM 2827 O O . ARG A 1 397 ? -30.907 22.220 -11.660 1.00 10.21 ? 395 ARG A O 1 ATOM 2828 C CB . ARG A 1 397 ? -30.976 23.450 -8.910 1.00 9.41 ? 395 ARG A CB 1 ATOM 2829 C CG . ARG A 1 397 ? -31.512 22.517 -7.775 1.00 8.43 ? 395 ARG A CG 1 ATOM 2830 C CD . ARG A 1 397 ? -32.521 23.308 -6.970 1.00 8.09 ? 395 ARG A CD 1 ATOM 2831 N NE . ARG A 1 397 ? -32.975 22.678 -5.709 1.00 8.32 ? 395 ARG A NE 1 ATOM 2832 C CZ . ARG A 1 397 ? -33.963 21.798 -5.620 1.00 10.78 ? 395 ARG A CZ 1 ATOM 2833 N NH1 . ARG A 1 397 ? -34.610 21.393 -6.707 1.00 10.85 ? 395 ARG A NH1 1 ATOM 2834 N NH2 . ARG A 1 397 ? -34.330 21.335 -4.430 1.00 10.40 ? 395 ARG A NH2 1 ATOM 2835 N N . ARG A 1 398 ? -29.959 20.601 -10.443 1.00 9.46 ? 396 ARG A N 1 ATOM 2836 C CA . ARG A 1 398 ? -30.344 19.513 -11.362 1.00 9.92 ? 396 ARG A CA 1 ATOM 2837 C C . ARG A 1 398 ? -30.920 18.301 -10.628 1.00 9.91 ? 396 ARG A C 1 ATOM 2838 O O . ARG A 1 398 ? -30.620 18.093 -9.437 1.00 9.56 ? 396 ARG A O 1 ATOM 2839 C CB . ARG A 1 398 ? -29.126 19.041 -12.171 1.00 10.13 ? 396 ARG A CB 1 ATOM 2840 C CG . ARG A 1 398 ? -28.633 20.058 -13.207 1.00 12.95 ? 396 ARG A CG 1 ATOM 2841 C CD . ARG A 1 398 ? -27.312 19.591 -13.780 1.00 21.12 ? 396 ARG A CD 1 ATOM 2842 N NE . ARG A 1 398 ? -27.022 20.197 -15.088 1.00 26.97 ? 396 ARG A NE 1 ATOM 2843 C CZ . ARG A 1 398 ? -26.391 21.353 -15.227 1.00 29.87 ? 396 ARG A CZ 1 ATOM 2844 N NH1 . ARG A 1 398 ? -25.989 22.017 -14.148 1.00 31.43 ? 396 ARG A NH1 1 ATOM 2845 N NH2 . ARG A 1 398 ? -26.163 21.845 -16.435 1.00 31.11 ? 396 ARG A NH2 1 ATOM 2846 N N . PRO A 1 399 ? -31.706 17.470 -11.341 1.00 9.89 ? 397 PRO A N 1 ATOM 2847 C CA . PRO A 1 399 ? -32.104 16.202 -10.747 1.00 9.45 ? 397 PRO A CA 1 ATOM 2848 C C . PRO A 1 399 ? -30.882 15.280 -10.688 1.00 9.91 ? 397 PRO A C 1 ATOM 2849 O O . PRO A 1 399 ? -29.924 15.446 -11.469 1.00 10.08 ? 397 PRO A O 1 ATOM 2850 C CB . PRO A 1 399 ? -33.151 15.681 -11.735 1.00 9.96 ? 397 PRO A CB 1 ATOM 2851 C CG . PRO A 1 399 ? -32.674 16.198 -13.036 1.00 11.40 ? 397 PRO A CG 1 ATOM 2852 C CD . PRO A 1 399 ? -32.224 17.600 -12.716 1.00 10.27 ? 397 PRO A CD 1 ATOM 2853 N N . TRP A 1 400 ? -30.881 14.361 -9.735 1.00 9.15 ? 398 TRP A N 1 ATOM 2854 C CA . TRP A 1 400 ? -29.890 13.304 -9.739 1.00 9.43 ? 398 TRP A CA 1 ATOM 2855 C C . TRP A 1 400 ? -30.591 11.961 -9.842 1.00 9.86 ? 398 TRP A C 1 ATOM 2856 O O . TRP A 1 400 ? -31.735 11.802 -9.399 1.00 9.02 ? 398 TRP A O 1 ATOM 2857 C CB . TRP A 1 400 ? -28.933 13.403 -8.535 1.00 9.21 ? 398 TRP A CB 1 ATOM 2858 C CG . TRP A 1 400 ? -29.547 13.165 -7.197 1.00 8.85 ? 398 TRP A CG 1 ATOM 2859 C CD1 . TRP A 1 400 ? -30.235 14.071 -6.450 1.00 8.81 ? 398 TRP A CD1 1 ATOM 2860 C CD2 . TRP A 1 400 ? -29.472 11.958 -6.405 1.00 9.59 ? 398 TRP A CD2 1 ATOM 2861 N NE1 . TRP A 1 400 ? -30.631 13.497 -5.245 1.00 7.81 ? 398 TRP A NE1 1 ATOM 2862 C CE2 . TRP A 1 400 ? -30.173 12.205 -5.194 1.00 8.92 ? 398 TRP A CE2 1 ATOM 2863 C CE3 . TRP A 1 400 ? -28.900 10.689 -6.609 1.00 8.21 ? 398 TRP A CE3 1 ATOM 2864 C CZ2 . TRP A 1 400 ? -30.308 11.227 -4.182 1.00 9.94 ? 398 TRP A CZ2 1 ATOM 2865 C CZ3 . TRP A 1 400 ? -29.030 9.724 -5.615 1.00 9.62 ? 398 TRP A CZ3 1 ATOM 2866 C CH2 . TRP A 1 400 ? -29.738 9.998 -4.410 1.00 10.14 ? 398 TRP A CH2 1 ATOM 2867 N N . LEU A 1 401 ? -29.914 11.008 -10.482 1.00 10.47 ? 399 LEU A N 1 ATOM 2868 C CA . LEU A 1 401 ? -30.575 9.786 -10.952 1.00 11.13 ? 399 LEU A CA 1 ATOM 2869 C C . LEU A 1 401 ? -30.043 8.530 -10.301 1.00 11.31 ? 399 LEU A C 1 ATOM 2870 O O . LEU A 1 401 ? -28.850 8.449 -9.974 1.00 10.94 ? 399 LEU A O 1 ATOM 2871 C CB . LEU A 1 401 ? -30.410 9.639 -12.479 1.00 11.85 ? 399 LEU A CB 1 ATOM 2872 C CG . LEU A 1 401 ? -30.924 10.777 -13.363 1.00 13.77 ? 399 LEU A CG 1 ATOM 2873 C CD1 . LEU A 1 401 ? -30.453 10.591 -14.806 1.00 18.56 ? 399 LEU A CD1 1 ATOM 2874 C CD2 . LEU A 1 401 ? -32.440 10.876 -13.307 1.00 13.13 ? 399 LEU A CD2 1 ATOM 2875 N N . VAL A 1 402 ? -30.930 7.543 -10.155 1.00 11.09 ? 400 VAL A N 1 ATOM 2876 C CA . VAL A 1 402 ? -30.570 6.212 -9.663 1.00 12.51 ? 400 VAL A CA 1 ATOM 2877 C C . VAL A 1 402 ? -31.260 5.211 -10.580 1.00 13.58 ? 400 VAL A C 1 ATOM 2878 O O . VAL A 1 402 ? -32.410 5.412 -10.971 1.00 13.28 ? 400 VAL A O 1 ATOM 2879 C CB . VAL A 1 402 ? -31.036 6.003 -8.197 1.00 11.59 ? 400 VAL A CB 1 ATOM 2880 C CG1 . VAL A 1 402 ? -30.970 4.508 -7.763 1.00 12.87 ? 400 VAL A CG1 1 ATOM 2881 C CG2 . VAL A 1 402 ? -30.193 6.856 -7.219 1.00 12.82 ? 400 VAL A CG2 1 ATOM 2882 N N . LYS A 1 403 ? -30.550 4.141 -10.911 1.00 15.42 ? 401 LYS A N 1 ATOM 2883 C CA . LYS A 1 403 ? -31.092 3.083 -11.756 1.00 17.28 ? 401 LYS A CA 1 ATOM 2884 C C . LYS A 1 403 ? -31.786 2.052 -10.886 1.00 18.21 ? 401 LYS A C 1 ATOM 2885 O O . LYS A 1 403 ? -31.138 1.388 -10.073 1.00 18.82 ? 401 LYS A O 1 ATOM 2886 C CB . LYS A 1 403 ? -29.952 2.404 -12.513 1.00 17.70 ? 401 LYS A CB 1 ATOM 2887 C CG . LYS A 1 403 ? -30.408 1.329 -13.472 1.00 20.71 ? 401 LYS A CG 1 ATOM 2888 C CD . LYS A 1 403 ? -29.282 0.950 -14.428 1.00 25.93 ? 401 LYS A CD 1 ATOM 2889 C CE . LYS A 1 403 ? -29.841 0.272 -15.656 1.00 28.29 ? 401 LYS A CE 1 ATOM 2890 N NZ . LYS A 1 403 ? -30.385 -1.065 -15.334 1.00 32.74 ? 401 LYS A NZ 1 ATOM 2891 N N . TYR A 1 404 ? -33.092 1.903 -11.057 1.00 19.01 ? 402 TYR A N 1 ATOM 2892 C CA . TYR A 1 404 ? -33.814 0.879 -10.317 1.00 20.81 ? 402 TYR A CA 1 ATOM 2893 C C . TYR A 1 404 ? -33.869 -0.455 -11.083 1.00 22.42 ? 402 TYR A C 1 ATOM 2894 O O . TYR A 1 404 ? -32.840 -1.110 -11.217 1.00 24.28 ? 402 TYR A O 1 ATOM 2895 C CB . TYR A 1 404 ? -35.171 1.403 -9.834 1.00 19.79 ? 402 TYR A CB 1 ATOM 2896 C CG . TYR A 1 404 ? -34.992 2.382 -8.688 1.00 20.40 ? 402 TYR A CG 1 ATOM 2897 C CD1 . TYR A 1 404 ? -34.792 3.742 -8.926 1.00 19.50 ? 402 TYR A CD1 1 ATOM 2898 C CD2 . TYR A 1 404 ? -34.985 1.934 -7.363 1.00 19.04 ? 402 TYR A CD2 1 ATOM 2899 C CE1 . TYR A 1 404 ? -34.600 4.641 -7.856 1.00 19.43 ? 402 TYR A CE1 1 ATOM 2900 C CE2 . TYR A 1 404 ? -34.798 2.805 -6.310 1.00 19.00 ? 402 TYR A CE2 1 ATOM 2901 C CZ . TYR A 1 404 ? -34.621 4.163 -6.560 1.00 19.91 ? 402 TYR A CZ 1 ATOM 2902 O OH . TYR A 1 404 ? -34.437 5.014 -5.496 1.00 21.30 ? 402 TYR A OH 1 ATOM 2903 N N . GLY A 1 405 ? -35.020 -0.864 -11.598 1.00 23.47 ? 403 GLY A N 1 ATOM 2904 C CA . GLY A 1 405 ? -35.126 -2.222 -12.186 1.00 25.84 ? 403 GLY A CA 1 ATOM 2905 C C . GLY A 1 405 ? -34.302 -2.453 -13.448 1.00 26.21 ? 403 GLY A C 1 ATOM 2906 O O . GLY A 1 405 ? -33.785 -1.498 -14.054 1.00 27.44 ? 403 GLY A O 1 ATOM 2907 N N . SER A 1 407 ? -37.161 -1.064 -13.938 1.00 24.01 ? 405 SER A N 1 ATOM 2908 C CA . SER A 1 407 ? -37.821 0.210 -13.673 1.00 23.37 ? 405 SER A CA 1 ATOM 2909 C C . SER A 1 407 ? -37.064 1.378 -14.282 1.00 22.25 ? 405 SER A C 1 ATOM 2910 O O . SER A 1 407 ? -37.621 2.468 -14.457 1.00 21.92 ? 405 SER A O 1 ATOM 2911 C CB . SER A 1 407 ? -37.992 0.396 -12.180 1.00 23.87 ? 405 SER A CB 1 ATOM 2912 O OG . SER A 1 407 ? -38.804 -0.644 -11.675 1.00 26.36 ? 405 SER A OG 1 ATOM 2913 N N . GLY A 1 408 ? -35.796 1.130 -14.596 1.00 20.57 ? 406 GLY A N 1 ATOM 2914 C CA . GLY A 1 408 ? -34.927 2.091 -15.252 1.00 18.96 ? 406 GLY A CA 1 ATOM 2915 C C . GLY A 1 408 ? -34.492 3.247 -14.372 1.00 17.77 ? 406 GLY A C 1 ATOM 2916 O O . GLY A 1 408 ? -34.661 3.212 -13.144 1.00 17.56 ? 406 GLY A O 1 ATOM 2917 N N . GLU A 1 409 ? -33.926 4.265 -15.018 1.00 16.47 ? 407 GLU A N 1 ATOM 2918 C CA . GLU A 1 409 ? -33.471 5.468 -14.341 1.00 14.95 ? 407 GLU A CA 1 ATOM 2919 C C . GLU A 1 409 ? -34.664 6.224 -13.788 1.00 13.17 ? 407 GLU A C 1 ATOM 2920 O O . GLU A 1 409 ? -35.669 6.442 -14.488 1.00 12.43 ? 407 GLU A O 1 ATOM 2921 C CB . GLU A 1 409 ? -32.706 6.390 -15.304 1.00 15.48 ? 407 GLU A CB 1 ATOM 2922 C CG . GLU A 1 409 ? -31.451 5.771 -15.896 1.00 17.79 ? 407 GLU A CG 1 ATOM 2923 C CD . GLU A 1 409 ? -30.342 5.581 -14.876 1.00 20.07 ? 407 GLU A CD 1 ATOM 2924 O OE1 . GLU A 1 409 ? -30.286 6.331 -13.874 1.00 20.59 ? 407 GLU A OE1 1 ATOM 2925 O OE2 . GLU A 1 409 ? -29.520 4.667 -15.077 1.00 22.28 ? 407 GLU A OE2 1 ATOM 2926 N N . GLN A 1 410 ? -34.531 6.644 -12.537 1.00 11.40 ? 408 GLN A N 1 ATOM 2927 C CA . GLN A 1 410 ? -35.543 7.472 -11.890 1.00 9.89 ? 408 GLN A CA 1 ATOM 2928 C C . GLN A 1 410 ? -34.883 8.661 -11.238 1.00 9.37 ? 408 GLN A C 1 ATOM 2929 O O . GLN A 1 410 ? -33.723 8.583 -10.827 1.00 7.83 ? 408 GLN A O 1 ATOM 2930 C CB . GLN A 1 410 ? -36.297 6.669 -10.820 1.00 10.25 ? 408 GLN A CB 1 ATOM 2931 C CG . GLN A 1 410 ? -37.040 5.436 -11.381 1.00 8.97 ? 408 GLN A CG 1 ATOM 2932 C CD . GLN A 1 410 ? -38.239 5.809 -12.253 1.00 12.85 ? 408 GLN A CD 1 ATOM 2933 O OE1 . GLN A 1 410 ? -38.765 6.912 -12.160 1.00 10.71 ? 408 GLN A OE1 1 ATOM 2934 N NE2 . GLN A 1 410 ? -38.661 4.883 -13.120 1.00 12.41 ? 408 GLN A NE2 1 ATOM 2935 N N . ILE A 1 411 ? -35.633 9.752 -11.111 1.00 9.52 ? 409 ILE A N 1 ATOM 2936 C CA . ILE A 1 411 ? -35.167 10.908 -10.355 1.00 9.56 ? 409 ILE A CA 1 ATOM 2937 C C . ILE A 1 411 ? -35.180 10.597 -8.860 1.00 9.52 ? 409 ILE A C 1 ATOM 2938 O O . ILE A 1 411 ? -36.251 10.296 -8.273 1.00 9.36 ? 409 ILE A O 1 ATOM 2939 C CB . ILE A 1 411 ? -36.016 12.175 -10.662 1.00 10.07 ? 409 ILE A CB 1 ATOM 2940 C CG1 . ILE A 1 411 ? -35.775 12.610 -12.129 1.00 12.02 ? 409 ILE A CG1 1 ATOM 2941 C CG2 . ILE A 1 411 ? -35.667 13.325 -9.689 1.00 9.52 ? 409 ILE A CG2 1 ATOM 2942 C CD1 . ILE A 1 411 ? -36.810 13.575 -12.647 1.00 12.81 ? 409 ILE A CD1 1 ATOM 2943 N N . ALA A 1 412 ? -34.013 10.668 -8.232 1.00 9.34 ? 410 ALA A N 1 ATOM 2944 C CA . ALA A 1 412 ? -33.909 10.303 -6.813 1.00 8.62 ? 410 ALA A CA 1 ATOM 2945 C C . ALA A 1 412 ? -34.016 11.513 -5.902 1.00 8.45 ? 410 ALA A C 1 ATOM 2946 O O . ALA A 1 412 ? -34.181 11.368 -4.694 1.00 8.29 ? 410 ALA A O 1 ATOM 2947 C CB . ALA A 1 412 ? -32.597 9.551 -6.545 1.00 9.31 ? 410 ALA A CB 1 ATOM 2948 N N . GLY A 1 413 ? -33.918 12.702 -6.497 1.00 7.80 ? 411 GLY A N 1 ATOM 2949 C CA . GLY A 1 413 ? -33.975 13.974 -5.767 1.00 7.94 ? 411 GLY A CA 1 ATOM 2950 C C . GLY A 1 413 ? -33.282 15.007 -6.629 1.00 8.16 ? 411 GLY A C 1 ATOM 2951 O O . GLY A 1 413 ? -33.142 14.785 -7.825 1.00 8.00 ? 411 GLY A O 1 ATOM 2952 N N . PHE A 1 414 ? -32.892 16.135 -6.023 1.00 8.13 ? 412 PHE A N 1 ATOM 2953 C CA . PHE A 1 414 ? -32.223 17.246 -6.727 1.00 8.42 ? 412 PHE A CA 1 ATOM 2954 C C . PHE A 1 414 ? -30.952 17.645 -6.006 1.00 8.79 ? 412 PHE A C 1 ATOM 2955 O O . PHE A 1 414 ? -30.842 17.480 -4.796 1.00 8.01 ? 412 PHE A O 1 ATOM 2956 C CB . PHE A 1 414 ? -33.152 18.455 -6.877 1.00 9.32 ? 412 PHE A CB 1 ATOM 2957 C CG . PHE A 1 414 ? -34.345 18.178 -7.754 1.00 8.31 ? 412 PHE A CG 1 ATOM 2958 C CD1 . PHE A 1 414 ? -35.477 17.543 -7.234 1.00 10.14 ? 412 PHE A CD1 1 ATOM 2959 C CD2 . PHE A 1 414 ? -34.325 18.522 -9.106 1.00 11.45 ? 412 PHE A CD2 1 ATOM 2960 C CE1 . PHE A 1 414 ? -36.581 17.240 -8.062 1.00 10.58 ? 412 PHE A CE1 1 ATOM 2961 C CE2 . PHE A 1 414 ? -35.427 18.238 -9.944 1.00 12.03 ? 412 PHE A CE2 1 ATOM 2962 C CZ . PHE A 1 414 ? -36.551 17.587 -9.419 1.00 11.37 ? 412 PHE A CZ 1 ATOM 2963 N N . VAL A 1 415 ? -29.983 18.133 -6.774 1.00 9.29 ? 413 VAL A N 1 ATOM 2964 C CA . VAL A 1 415 ? -28.683 18.500 -6.224 1.00 9.65 ? 413 VAL A CA 1 ATOM 2965 C C . VAL A 1 415 ? -28.373 19.959 -6.574 1.00 10.02 ? 413 VAL A C 1 ATOM 2966 O O . VAL A 1 415 ? -28.536 20.383 -7.725 1.00 10.34 ? 413 VAL A O 1 ATOM 2967 C CB . VAL A 1 415 ? -27.562 17.511 -6.678 1.00 10.33 ? 413 VAL A CB 1 ATOM 2968 C CG1 . VAL A 1 415 ? -27.525 17.366 -8.216 1.00 8.90 ? 413 VAL A CG1 1 ATOM 2969 C CG2 . VAL A 1 415 ? -26.193 17.921 -6.126 1.00 11.40 ? 413 VAL A CG2 1 ATOM 2970 N N . LYS A 1 416 ? -27.970 20.721 -5.558 1.00 10.43 ? 414 LYS A N 1 ATOM 2971 C CA . LYS A 1 416 ? -27.458 22.087 -5.765 1.00 10.78 ? 414 LYS A CA 1 ATOM 2972 C C . LYS A 1 416 ? -25.999 22.140 -5.305 1.00 11.29 ? 414 LYS A C 1 ATOM 2973 O O . LYS A 1 416 ? -25.716 22.006 -4.121 1.00 10.87 ? 414 LYS A O 1 ATOM 2974 C CB . LYS A 1 416 ? -28.311 23.105 -5.006 1.00 10.50 ? 414 LYS A CB 1 ATOM 2975 C CG . LYS A 1 416 ? -27.793 24.553 -5.061 1.00 10.00 ? 414 LYS A CG 1 ATOM 2976 C CD . LYS A 1 416 ? -28.025 25.137 -6.462 1.00 7.96 ? 414 LYS A CD 1 ATOM 2977 C CE . LYS A 1 416 ? -27.439 26.519 -6.568 1.00 8.44 ? 414 LYS A CE 1 ATOM 2978 N NZ . LYS A 1 416 ? -27.779 27.077 -7.920 1.00 8.07 ? 414 LYS A NZ 1 ATOM 2979 N N . GLU A 1 417 ? -25.081 22.341 -6.248 1.00 12.55 ? 415 GLU A N 1 ATOM 2980 C CA . GLU A 1 417 ? -23.658 22.211 -5.973 1.00 13.97 ? 415 GLU A CA 1 ATOM 2981 C C . GLU A 1 417 ? -22.919 23.536 -6.108 1.00 12.51 ? 415 GLU A C 1 ATOM 2982 O O . GLU A 1 417 ? -23.288 24.415 -6.919 1.00 12.11 ? 415 GLU A O 1 ATOM 2983 C CB . GLU A 1 417 ? -22.982 21.175 -6.906 1.00 14.12 ? 415 GLU A CB 1 ATOM 2984 C CG . GLU A 1 417 ? -23.531 19.743 -6.918 1.00 20.33 ? 415 GLU A CG 1 ATOM 2985 C CD . GLU A 1 417 ? -22.752 18.833 -7.901 1.00 18.15 ? 415 GLU A CD 1 ATOM 2986 O OE1 . GLU A 1 417 ? -21.752 19.316 -8.471 1.00 23.46 ? 415 GLU A OE1 1 ATOM 2987 O OE2 . GLU A 1 417 ? -23.136 17.640 -8.123 1.00 29.56 ? 415 GLU A OE2 1 ATOM 2988 N N . PHE A 1 418 ? -21.889 23.668 -5.275 1.00 11.56 ? 416 PHE A N 1 ATOM 2989 C CA . PHE A 1 418 ? -20.947 24.786 -5.296 1.00 11.24 ? 416 PHE A CA 1 ATOM 2990 C C . PHE A 1 418 ? -19.565 24.187 -5.142 1.00 10.95 ? 416 PHE A C 1 ATOM 2991 O O . PHE A 1 418 ? -19.417 22.966 -4.981 1.00 10.51 ? 416 PHE A O 1 ATOM 2992 C CB . PHE A 1 418 ? -21.178 25.723 -4.096 1.00 10.39 ? 416 PHE A CB 1 ATOM 2993 C CG . PHE A 1 418 ? -22.544 26.358 -4.044 1.00 11.20 ? 416 PHE A CG 1 ATOM 2994 C CD1 . PHE A 1 418 ? -23.609 25.706 -3.396 1.00 11.28 ? 416 PHE A CD1 1 ATOM 2995 C CD2 . PHE A 1 418 ? -22.755 27.639 -4.559 1.00 11.98 ? 416 PHE A CD2 1 ATOM 2996 C CE1 . PHE A 1 418 ? -24.874 26.288 -3.312 1.00 9.46 ? 416 PHE A CE1 1 ATOM 2997 C CE2 . PHE A 1 418 ? -24.029 28.252 -4.467 1.00 11.02 ? 416 PHE A CE2 1 ATOM 2998 C CZ . PHE A 1 418 ? -25.084 27.571 -3.848 1.00 11.95 ? 416 PHE A CZ 1 ATOM 2999 N N . SER A 1 419 ? -18.537 25.036 -5.130 1.00 11.42 ? 417 SER A N 1 ATOM 3000 C CA . SER A 1 419 ? -17.184 24.517 -4.913 1.00 12.14 ? 417 SER A CA 1 ATOM 3001 C C . SER A 1 419 ? -17.138 23.826 -3.542 1.00 11.79 ? 417 SER A C 1 ATOM 3002 O O . SER A 1 419 ? -17.533 24.423 -2.536 1.00 12.50 ? 417 SER A O 1 ATOM 3003 C CB . SER A 1 419 ? -16.139 25.633 -4.990 1.00 12.25 ? 417 SER A CB 1 ATOM 3004 O OG . SER A 1 419 ? -14.878 25.165 -4.548 1.00 14.15 ? 417 SER A OG 1 ATOM 3005 N N . HIS A 1 420 ? -16.699 22.564 -3.541 1.00 11.25 ? 418 HIS A N 1 ATOM 3006 C CA . HIS A 1 420 ? -16.466 21.775 -2.312 1.00 11.94 ? 418 HIS A CA 1 ATOM 3007 C C . HIS A 1 420 ? -17.696 21.474 -1.427 1.00 11.27 ? 418 HIS A C 1 ATOM 3008 O O . HIS A 1 420 ? -17.562 20.902 -0.337 1.00 11.11 ? 418 HIS A O 1 ATOM 3009 C CB . HIS A 1 420 ? -15.356 22.421 -1.463 1.00 11.81 ? 418 HIS A CB 1 ATOM 3010 C CG . HIS A 1 420 ? -14.004 22.311 -2.091 1.00 15.83 ? 418 HIS A CG 1 ATOM 3011 N ND1 . HIS A 1 420 ? -13.616 23.102 -3.152 1.00 17.18 ? 418 HIS A ND1 1 ATOM 3012 C CD2 . HIS A 1 420 ? -12.979 21.455 -1.863 1.00 17.12 ? 418 HIS A CD2 1 ATOM 3013 C CE1 . HIS A 1 420 ? -12.398 22.757 -3.533 1.00 17.69 ? 418 HIS A CE1 1 ATOM 3014 N NE2 . HIS A 1 420 ? -11.988 21.764 -2.764 1.00 19.80 ? 418 HIS A NE2 1 ATOM 3015 N N . ILE A 1 421 ? -18.880 21.866 -1.874 1.00 11.01 ? 419 ILE A N 1 ATOM 3016 C CA . ILE A 1 421 ? -20.091 21.585 -1.084 1.00 10.76 ? 419 ILE A CA 1 ATOM 3017 C C . ILE A 1 421 ? -21.327 21.397 -1.971 1.00 10.55 ? 419 ILE A C 1 ATOM 3018 O O . ILE A 1 421 ? -21.551 22.159 -2.917 1.00 11.22 ? 419 ILE A O 1 ATOM 3019 C CB . ILE A 1 421 ? -20.328 22.661 0.028 1.00 10.17 ? 419 ILE A CB 1 ATOM 3020 C CG1 . ILE A 1 421 ? -21.478 22.239 0.974 1.00 11.19 ? 419 ILE A CG1 1 ATOM 3021 C CG2 . ILE A 1 421 ? -20.562 24.042 -0.547 1.00 10.55 ? 419 ILE A CG2 1 ATOM 3022 C CD1 . ILE A 1 421 ? -21.492 23.009 2.261 1.00 11.21 ? 419 ILE A CD1 1 ATOM 3023 N N . ALA A 1 422 ? -22.136 20.390 -1.633 1.00 10.14 ? 420 ALA A N 1 ATOM 3024 C CA . ALA A 1 422 ? -23.363 20.127 -2.355 1.00 9.73 ? 420 ALA A CA 1 ATOM 3025 C C . ALA A 1 422 ? -24.483 19.968 -1.340 1.00 9.51 ? 420 ALA A C 1 ATOM 3026 O O . ALA A 1 422 ? -24.261 19.461 -0.242 1.00 10.17 ? 420 ALA A O 1 ATOM 3027 C CB . ALA A 1 422 ? -23.245 18.882 -3.192 1.00 9.36 ? 420 ALA A CB 1 ATOM 3028 N N . PHE A 1 423 ? -25.662 20.443 -1.724 1.00 8.92 ? 421 PHE A N 1 ATOM 3029 C CA . PHE A 1 423 ? -26.891 20.114 -1.027 1.00 9.14 ? 421 PHE A CA 1 ATOM 3030 C C . PHE A 1 423 ? -27.713 19.158 -1.909 1.00 9.27 ? 421 PHE A C 1 ATOM 3031 O O . PHE A 1 423 ? -27.860 19.390 -3.116 1.00 9.14 ? 421 PHE A O 1 ATOM 3032 C CB . PHE A 1 423 ? -27.716 21.363 -0.748 1.00 8.91 ? 421 PHE A CB 1 ATOM 3033 C CG . PHE A 1 423 ? -29.056 21.030 -0.257 1.00 8.22 ? 421 PHE A CG 1 ATOM 3034 C CD1 . PHE A 1 423 ? -29.224 20.625 1.049 1.00 6.82 ? 421 PHE A CD1 1 ATOM 3035 C CD2 . PHE A 1 423 ? -30.129 20.991 -1.134 1.00 7.61 ? 421 PHE A CD2 1 ATOM 3036 C CE1 . PHE A 1 423 ? -30.482 20.220 1.495 1.00 7.67 ? 421 PHE A CE1 1 ATOM 3037 C CE2 . PHE A 1 423 ? -31.376 20.572 -0.716 1.00 8.76 ? 421 PHE A CE2 1 ATOM 3038 C CZ . PHE A 1 423 ? -31.561 20.201 0.599 1.00 8.94 ? 421 PHE A CZ 1 ATOM 3039 N N . LEU A 1 424 ? -28.262 18.106 -1.323 1.00 8.92 ? 422 LEU A N 1 ATOM 3040 C CA . LEU A 1 424 ? -29.041 17.134 -2.095 1.00 10.27 ? 422 LEU A CA 1 ATOM 3041 C C . LEU A 1 424 ? -30.356 16.782 -1.370 1.00 9.47 ? 422 LEU A C 1 ATOM 3042 O O . LEU A 1 424 ? -30.339 16.610 -0.161 1.00 8.87 ? 422 LEU A O 1 ATOM 3043 C CB . LEU A 1 424 ? -28.150 15.905 -2.226 1.00 11.45 ? 422 LEU A CB 1 ATOM 3044 C CG . LEU A 1 424 ? -28.468 14.660 -3.001 1.00 17.46 ? 422 LEU A CG 1 ATOM 3045 C CD1 . LEU A 1 424 ? -27.197 14.148 -3.636 1.00 15.56 ? 422 LEU A CD1 1 ATOM 3046 C CD2 . LEU A 1 424 ? -28.988 13.678 -1.988 1.00 18.11 ? 422 LEU A CD2 1 ATOM 3047 N N . THR A 1 425 ? -31.477 16.688 -2.103 1.00 8.82 ? 423 THR A N 1 ATOM 3048 C CA . THR A 1 425 ? -32.693 16.071 -1.552 1.00 8.33 ? 423 THR A CA 1 ATOM 3049 C C . THR A 1 425 ? -32.761 14.586 -1.883 1.00 8.12 ? 423 THR A C 1 ATOM 3050 O O . THR A 1 425 ? -32.231 14.154 -2.891 1.00 7.69 ? 423 THR A O 1 ATOM 3051 C CB . THR A 1 425 ? -34.006 16.684 -2.081 1.00 9.06 ? 423 THR A CB 1 ATOM 3052 O OG1 . THR A 1 425 ? -34.086 16.480 -3.503 1.00 7.72 ? 423 THR A OG1 1 ATOM 3053 C CG2 . THR A 1 425 ? -34.103 18.185 -1.740 1.00 10.66 ? 423 THR A CG2 1 ATOM 3054 N N . ILE A 1 426 ? -33.426 13.816 -1.032 1.00 7.76 ? 424 ILE A N 1 ATOM 3055 C CA . ILE A 1 426 ? -33.775 12.428 -1.378 1.00 8.01 ? 424 ILE A CA 1 ATOM 3056 C C . ILE A 1 426 ? -35.295 12.383 -1.381 1.00 7.70 ? 424 ILE A C 1 ATOM 3057 O O . ILE A 1 426 ? -35.960 12.477 -0.323 1.00 6.13 ? 424 ILE A O 1 ATOM 3058 C CB . ILE A 1 426 ? -33.125 11.352 -0.452 1.00 9.56 ? 424 ILE A CB 1 ATOM 3059 C CG1 . ILE A 1 426 ? -31.590 11.374 -0.578 1.00 10.77 ? 424 ILE A CG1 1 ATOM 3060 C CG2 . ILE A 1 426 ? -33.597 9.928 -0.828 1.00 8.84 ? 424 ILE A CG2 1 ATOM 3061 C CD1 . ILE A 1 426 ? -30.946 12.225 0.448 1.00 12.61 ? 424 ILE A CD1 1 ATOM 3062 N N . LYS A 1 427 ? -35.829 12.294 -2.598 1.00 7.00 ? 425 LYS A N 1 ATOM 3063 C CA . LYS A 1 427 ? -37.263 12.413 -2.859 1.00 7.39 ? 425 LYS A CA 1 ATOM 3064 C C . LYS A 1 427 ? -38.009 11.245 -2.258 1.00 7.08 ? 425 LYS A C 1 ATOM 3065 O O . LYS A 1 427 ? -37.739 10.062 -2.581 1.00 6.89 ? 425 LYS A O 1 ATOM 3066 C CB . LYS A 1 427 ? -37.546 12.524 -4.364 1.00 7.01 ? 425 LYS A CB 1 ATOM 3067 C CG . LYS A 1 427 ? -39.008 12.904 -4.724 1.00 8.18 ? 425 LYS A CG 1 ATOM 3068 C CD . LYS A 1 427 ? -39.224 13.136 -6.224 1.00 9.12 ? 425 LYS A CD 1 ATOM 3069 C CE . LYS A 1 427 ? -38.773 11.958 -7.047 1.00 7.90 ? 425 LYS A CE 1 ATOM 3070 N NZ . LYS A 1 427 ? -39.775 10.842 -7.018 1.00 10.25 ? 425 LYS A NZ 1 ATOM 3071 N N . GLY A 1 428 ? -38.941 11.589 -1.371 1.00 6.35 ? 426 GLY A N 1 ATOM 3072 C CA . GLY A 1 428 ? -39.804 10.598 -0.741 1.00 6.97 ? 426 GLY A CA 1 ATOM 3073 C C . GLY A 1 428 ? -39.226 9.916 0.483 1.00 7.58 ? 426 GLY A C 1 ATOM 3074 O O . GLY A 1 428 ? -39.836 8.990 0.993 1.00 7.59 ? 426 GLY A O 1 ATOM 3075 N N . ALA A 1 429 ? -38.059 10.369 0.941 1.00 7.55 ? 427 ALA A N 1 ATOM 3076 C CA . ALA A 1 429 ? -37.446 9.877 2.177 1.00 6.54 ? 427 ALA A CA 1 ATOM 3077 C C . ALA A 1 429 ? -37.691 10.877 3.305 1.00 7.01 ? 427 ALA A C 1 ATOM 3078 O O . ALA A 1 429 ? -37.746 12.086 3.065 1.00 6.95 ? 427 ALA A O 1 ATOM 3079 C CB . ALA A 1 429 ? -35.959 9.672 2.001 1.00 7.25 ? 427 ALA A CB 1 ATOM 3080 N N . GLY A 1 430 ? -37.829 10.352 4.518 1.00 6.76 ? 428 GLY A N 1 ATOM 3081 C CA . GLY A 1 430 ? -37.971 11.165 5.729 1.00 7.85 ? 428 GLY A CA 1 ATOM 3082 C C . GLY A 1 430 ? -36.634 11.350 6.431 1.00 7.82 ? 428 GLY A C 1 ATOM 3083 O O . GLY A 1 430 ? -35.585 11.388 5.792 1.00 9.60 ? 428 GLY A O 1 ATOM 3084 N N . HIS A 1 431 ? -36.684 11.435 7.748 1.00 7.12 ? 429 HIS A N 1 ATOM 3085 C CA . HIS A 1 431 ? -35.558 11.810 8.605 1.00 8.20 ? 429 HIS A CA 1 ATOM 3086 C C . HIS A 1 431 ? -34.431 10.761 8.571 1.00 8.77 ? 429 HIS A C 1 ATOM 3087 O O . HIS A 1 431 ? -33.247 11.084 8.714 1.00 7.96 ? 429 HIS A O 1 ATOM 3088 C CB . HIS A 1 431 ? -36.115 11.919 10.018 1.00 7.18 ? 429 HIS A CB 1 ATOM 3089 C CG . HIS A 1 431 ? -35.223 12.620 10.993 1.00 7.64 ? 429 HIS A CG 1 ATOM 3090 N ND1 . HIS A 1 431 ? -34.954 13.968 10.924 1.00 6.38 ? 429 HIS A ND1 1 ATOM 3091 C CD2 . HIS A 1 431 ? -34.580 12.164 12.094 1.00 5.24 ? 429 HIS A CD2 1 ATOM 3092 C CE1 . HIS A 1 431 ? -34.206 14.319 11.955 1.00 7.36 ? 429 HIS A CE1 1 ATOM 3093 N NE2 . HIS A 1 431 ? -33.944 13.238 12.663 1.00 6.09 ? 429 HIS A NE2 1 ATOM 3094 N N . MET A 1 432 ? -34.817 9.507 8.369 1.00 8.84 ? 430 MET A N 1 ATOM 3095 C CA . MET A 1 432 ? -33.841 8.416 8.305 1.00 10.49 ? 430 MET A CA 1 ATOM 3096 C C . MET A 1 432 ? -33.760 7.951 6.847 1.00 8.55 ? 430 MET A C 1 ATOM 3097 O O . MET A 1 432 ? -34.331 6.932 6.456 1.00 8.11 ? 430 MET A O 1 ATOM 3098 C CB . MET A 1 432 ? -34.218 7.294 9.272 1.00 9.82 ? 430 MET A CB 1 ATOM 3099 C CG . MET A 1 432 ? -34.048 7.701 10.755 1.00 13.09 ? 430 MET A CG 1 ATOM 3100 S SD . MET A 1 432 ? -34.371 6.376 11.945 1.00 18.06 ? 430 MET A SD 1 ATOM 3101 C CE . MET A 1 432 ? -33.066 5.249 11.663 1.00 16.37 ? 430 MET A CE 1 ATOM 3102 N N . VAL A 1 433 ? -33.024 8.725 6.062 1.00 7.79 ? 431 VAL A N 1 ATOM 3103 C CA . VAL A 1 433 ? -32.896 8.544 4.613 1.00 8.04 ? 431 VAL A CA 1 ATOM 3104 C C . VAL A 1 433 ? -32.557 7.102 4.177 1.00 7.72 ? 431 VAL A C 1 ATOM 3105 O O . VAL A 1 433 ? -33.210 6.565 3.276 1.00 7.39 ? 431 VAL A O 1 ATOM 3106 C CB . VAL A 1 433 ? -31.870 9.594 4.041 1.00 8.29 ? 431 VAL A CB 1 ATOM 3107 C CG1 . VAL A 1 433 ? -31.273 9.181 2.700 1.00 7.67 ? 431 VAL A CG1 1 ATOM 3108 C CG2 . VAL A 1 433 ? -32.544 10.960 3.926 1.00 10.09 ? 431 VAL A CG2 1 ATOM 3109 N N . PRO A 1 434 ? -31.538 6.466 4.806 1.00 8.09 ? 432 PRO A N 1 ATOM 3110 C CA . PRO A 1 434 ? -31.196 5.095 4.362 1.00 7.87 ? 432 PRO A CA 1 ATOM 3111 C C . PRO A 1 434 ? -32.226 4.035 4.732 1.00 8.67 ? 432 PRO A C 1 ATOM 3112 O O . PRO A 1 434 ? -32.253 2.979 4.085 1.00 9.22 ? 432 PRO A O 1 ATOM 3113 C CB . PRO A 1 434 ? -29.841 4.800 5.048 1.00 8.12 ? 432 PRO A CB 1 ATOM 3114 C CG . PRO A 1 434 ? -29.326 6.182 5.519 1.00 7.34 ? 432 PRO A CG 1 ATOM 3115 C CD . PRO A 1 434 ? -30.608 6.946 5.848 1.00 7.93 ? 432 PRO A CD 1 ATOM 3116 N N . THR A 1 435 ? -33.055 4.293 5.751 1.00 8.06 ? 433 THR A N 1 ATOM 3117 C CA . THR A 1 435 ? -34.154 3.388 6.083 1.00 9.04 ? 433 THR A CA 1 ATOM 3118 C C . THR A 1 435 ? -35.210 3.456 4.990 1.00 8.81 ? 433 THR A C 1 ATOM 3119 O O . THR A 1 435 ? -35.699 2.430 4.533 1.00 9.06 ? 433 THR A O 1 ATOM 3120 C CB . THR A 1 435 ? -34.845 3.778 7.436 1.00 7.77 ? 433 THR A CB 1 ATOM 3121 O OG1 . THR A 1 435 ? -33.876 3.752 8.494 1.00 9.92 ? 433 THR A OG1 1 ATOM 3122 C CG2 . THR A 1 435 ? -35.984 2.812 7.760 1.00 10.35 ? 433 THR A CG2 1 ATOM 3123 N N . ASP A 1 436 ? -35.539 4.675 4.582 1.00 8.31 ? 434 ASP A N 1 ATOM 3124 C CA . ASP A 1 436 ? -36.638 4.925 3.633 1.00 8.82 ? 434 ASP A CA 1 ATOM 3125 C C . ASP A 1 436 ? -36.318 4.694 2.179 1.00 8.74 ? 434 ASP A C 1 ATOM 3126 O O . ASP A 1 436 ? -37.168 4.208 1.442 1.00 8.77 ? 434 ASP A O 1 ATOM 3127 C CB . ASP A 1 436 ? -37.183 6.347 3.789 1.00 8.67 ? 434 ASP A CB 1 ATOM 3128 C CG . ASP A 1 436 ? -37.798 6.582 5.147 1.00 9.84 ? 434 ASP A CG 1 ATOM 3129 O OD1 . ASP A 1 436 ? -38.161 5.585 5.846 1.00 11.15 ? 434 ASP A OD1 1 ATOM 3130 O OD2 . ASP A 1 436 ? -37.899 7.772 5.513 1.00 10.00 ? 434 ASP A OD2 1 ATOM 3131 N N . LYS A 1 437 ? -35.108 5.055 1.760 1.00 8.50 ? 435 LYS A N 1 ATOM 3132 C CA . LYS A 1 437 ? -34.688 4.918 0.361 1.00 9.09 ? 435 LYS A CA 1 ATOM 3133 C C . LYS A 1 437 ? -33.267 4.351 0.374 1.00 8.74 ? 435 LYS A C 1 ATOM 3134 O O . LYS A 1 437 ? -32.306 5.074 0.093 1.00 8.15 ? 435 LYS A O 1 ATOM 3135 C CB . LYS A 1 437 ? -34.725 6.288 -0.344 1.00 9.09 ? 435 LYS A CB 1 ATOM 3136 C CG . LYS A 1 437 ? -36.128 6.901 -0.516 1.00 8.73 ? 435 LYS A CG 1 ATOM 3137 C CD . LYS A 1 437 ? -36.924 6.183 -1.592 1.00 11.03 ? 435 LYS A CD 1 ATOM 3138 C CE . LYS A 1 437 ? -38.278 6.838 -1.817 1.00 13.49 ? 435 LYS A CE 1 ATOM 3139 N NZ . LYS A 1 437 ? -39.138 5.941 -2.610 1.00 16.12 ? 435 LYS A NZ 1 ATOM 3140 N N . PRO A 1 438 ? -33.124 3.073 0.767 1.00 9.10 ? 436 PRO A N 1 ATOM 3141 C CA . PRO A 1 438 ? -31.759 2.519 0.946 1.00 9.41 ? 436 PRO A CA 1 ATOM 3142 C C . PRO A 1 438 ? -30.885 2.517 -0.318 1.00 9.51 ? 436 PRO A C 1 ATOM 3143 O O . PRO A 1 438 ? -29.684 2.788 -0.219 1.00 8.81 ? 436 PRO A O 1 ATOM 3144 C CB . PRO A 1 438 ? -32.003 1.092 1.480 1.00 9.43 ? 436 PRO A CB 1 ATOM 3145 C CG . PRO A 1 438 ? -33.452 0.781 1.190 1.00 10.43 ? 436 PRO A CG 1 ATOM 3146 C CD . PRO A 1 438 ? -34.184 2.101 1.133 1.00 8.67 ? 436 PRO A CD 1 ATOM 3147 N N . LEU A 1 439 ? -31.477 2.270 -1.481 1.00 8.70 ? 437 LEU A N 1 ATOM 3148 C CA . LEU A 1 439 ? -30.683 2.275 -2.724 1.00 9.75 ? 437 LEU A CA 1 ATOM 3149 C C . LEU A 1 439 ? -30.187 3.668 -3.071 1.00 9.80 ? 437 LEU A C 1 ATOM 3150 O O . LEU A 1 439 ? -28.996 3.849 -3.349 1.00 9.59 ? 437 LEU A O 1 ATOM 3151 C CB . LEU A 1 439 ? -31.445 1.664 -3.908 1.00 10.84 ? 437 LEU A CB 1 ATOM 3152 C CG . LEU A 1 439 ? -30.691 1.660 -5.250 1.00 10.88 ? 437 LEU A CG 1 ATOM 3153 C CD1 . LEU A 1 439 ? -29.338 0.995 -5.074 1.00 10.17 ? 437 LEU A CD1 1 ATOM 3154 C CD2 . LEU A 1 439 ? -31.546 0.913 -6.266 1.00 14.00 ? 437 LEU A CD2 1 ATOM 3155 N N . ALA A 1 440 ? -31.097 4.648 -3.049 1.00 9.43 ? 438 ALA A N 1 ATOM 3156 C CA . ALA A 1 440 ? -30.740 6.021 -3.331 1.00 9.46 ? 438 ALA A CA 1 ATOM 3157 C C . ALA A 1 440 ? -29.671 6.510 -2.347 1.00 8.50 ? 438 ALA A C 1 ATOM 3158 O O . ALA A 1 440 ? -28.681 7.116 -2.760 1.00 9.77 ? 438 ALA A O 1 ATOM 3159 C CB . ALA A 1 440 ? -31.983 6.919 -3.310 1.00 8.96 ? 438 ALA A CB 1 ATOM 3160 N N . ALA A 1 441 ? -29.850 6.202 -1.059 1.00 7.97 ? 439 ALA A N 1 ATOM 3161 C CA . ALA A 1 441 ? -28.871 6.549 -0.018 1.00 8.14 ? 439 ALA A CA 1 ATOM 3162 C C . ALA A 1 441 ? -27.500 5.953 -0.307 1.00 7.75 ? 439 ALA A C 1 ATOM 3163 O O . ALA A 1 441 ? -26.483 6.649 -0.184 1.00 7.45 ? 439 ALA A O 1 ATOM 3164 C CB . ALA A 1 441 ? -29.378 6.098 1.384 1.00 7.07 ? 439 ALA A CB 1 ATOM 3165 N N . PHE A 1 442 ? -27.467 4.681 -0.706 1.00 8.04 ? 440 PHE A N 1 ATOM 3166 C CA . PHE A 1 442 ? -26.185 4.034 -0.978 1.00 9.40 ? 440 PHE A CA 1 ATOM 3167 C C . PHE A 1 442 ? -25.517 4.665 -2.196 1.00 8.77 ? 440 PHE A C 1 ATOM 3168 O O . PHE A 1 442 ? -24.291 4.861 -2.236 1.00 9.07 ? 440 PHE A O 1 ATOM 3169 C CB . PHE A 1 442 ? -26.316 2.515 -1.190 1.00 10.01 ? 440 PHE A CB 1 ATOM 3170 C CG . PHE A 1 442 ? -25.012 1.883 -1.608 1.00 12.61 ? 440 PHE A CG 1 ATOM 3171 C CD1 . PHE A 1 442 ? -24.074 1.515 -0.654 1.00 12.49 ? 440 PHE A CD1 1 ATOM 3172 C CD2 . PHE A 1 442 ? -24.668 1.788 -2.966 1.00 13.38 ? 440 PHE A CD2 1 ATOM 3173 C CE1 . PHE A 1 442 ? -22.837 0.979 -1.040 1.00 15.11 ? 440 PHE A CE1 1 ATOM 3174 C CE2 . PHE A 1 442 ? -23.423 1.267 -3.363 1.00 15.92 ? 440 PHE A CE2 1 ATOM 3175 C CZ . PHE A 1 442 ? -22.515 0.859 -2.385 1.00 14.05 ? 440 PHE A CZ 1 ATOM 3176 N N . THR A 1 443 ? -26.337 4.956 -3.199 1.00 9.01 ? 441 THR A N 1 ATOM 3177 C CA . THR A 1 443 ? -25.841 5.516 -4.457 1.00 8.72 ? 441 THR A CA 1 ATOM 3178 C C . THR A 1 443 ? -25.243 6.893 -4.203 1.00 8.10 ? 441 THR A C 1 ATOM 3179 O O . THR A 1 443 ? -24.155 7.201 -4.679 1.00 8.27 ? 441 THR A O 1 ATOM 3180 C CB . THR A 1 443 ? -26.968 5.592 -5.523 1.00 8.65 ? 441 THR A CB 1 ATOM 3181 O OG1 . THR A 1 443 ? -27.468 4.276 -5.778 1.00 10.92 ? 441 THR A OG1 1 ATOM 3182 C CG2 . THR A 1 443 ? -26.417 6.146 -6.819 1.00 9.01 ? 441 THR A CG2 1 ATOM 3183 N N . MET A 1 444 ? -25.960 7.719 -3.449 1.00 7.74 ? 442 MET A N 1 ATOM 3184 C CA . MET A 1 444 ? -25.452 9.035 -3.036 1.00 9.07 ? 442 MET A CA 1 ATOM 3185 C C . MET A 1 444 ? -24.160 8.912 -2.209 1.00 9.89 ? 442 MET A C 1 ATOM 3186 O O . MET A 1 444 ? -23.218 9.696 -2.380 1.00 9.24 ? 442 MET A O 1 ATOM 3187 C CB . MET A 1 444 ? -26.516 9.749 -2.190 1.00 8.57 ? 442 MET A CB 1 ATOM 3188 C CG . MET A 1 444 ? -26.054 11.030 -1.501 1.00 9.22 ? 442 MET A CG 1 ATOM 3189 S SD . MET A 1 444 ? -27.003 11.305 0.016 1.00 9.60 ? 442 MET A SD 1 ATOM 3190 C CE . MET A 1 444 ? -26.151 10.207 1.144 1.00 5.71 ? 442 MET A CE 1 ATOM 3191 N N . PHE A 1 445 ? -24.156 7.974 -1.265 1.00 10.37 ? 443 PHE A N 1 ATOM 3192 C CA . PHE A 1 445 ? -22.983 7.778 -0.404 1.00 11.31 ? 443 PHE A CA 1 ATOM 3193 C C . PHE A 1 445 ? -21.749 7.382 -1.232 1.00 12.14 ? 443 PHE A C 1 ATOM 3194 O O . PHE A 1 445 ? -20.633 7.838 -0.944 1.00 12.17 ? 443 PHE A O 1 ATOM 3195 C CB . PHE A 1 445 ? -23.292 6.702 0.645 1.00 11.26 ? 443 PHE A CB 1 ATOM 3196 C CG . PHE A 1 445 ? -22.121 6.317 1.503 1.00 9.61 ? 443 PHE A CG 1 ATOM 3197 C CD1 . PHE A 1 445 ? -21.549 7.243 2.371 1.00 9.92 ? 443 PHE A CD1 1 ATOM 3198 C CD2 . PHE A 1 445 ? -21.611 5.014 1.467 1.00 10.51 ? 443 PHE A CD2 1 ATOM 3199 C CE1 . PHE A 1 445 ? -20.486 6.884 3.199 1.00 10.70 ? 443 PHE A CE1 1 ATOM 3200 C CE2 . PHE A 1 445 ? -20.528 4.648 2.274 1.00 10.02 ? 443 PHE A CE2 1 ATOM 3201 C CZ . PHE A 1 445 ? -19.977 5.586 3.150 1.00 9.87 ? 443 PHE A CZ 1 ATOM 3202 N N . SER A 1 446 ? -21.964 6.535 -2.242 1.00 12.18 ? 444 SER A N 1 ATOM 3203 C CA . SER A 1 446 ? -20.876 6.054 -3.100 1.00 12.26 ? 444 SER A CA 1 ATOM 3204 C C . SER A 1 446 ? -20.294 7.202 -3.930 1.00 12.50 ? 444 SER A C 1 ATOM 3205 O O . SER A 1 446 ? -19.086 7.328 -4.037 1.00 13.69 ? 444 SER A O 1 ATOM 3206 C CB . SER A 1 446 ? -21.322 4.891 -3.998 1.00 13.03 ? 444 SER A CB 1 ATOM 3207 O OG . SER A 1 446 ? -20.340 4.600 -5.013 1.00 13.88 ? 444 SER A OG 1 ATOM 3208 N N . ARG A 1 447 ? -21.157 8.045 -4.495 1.00 12.31 ? 445 ARG A N 1 ATOM 3209 C CA . ARG A 1 447 ? -20.711 9.207 -5.280 1.00 11.46 ? 445 ARG A CA 1 ATOM 3210 C C . ARG A 1 447 ? -19.963 10.228 -4.417 1.00 11.84 ? 445 ARG A C 1 ATOM 3211 O O . ARG A 1 447 ? -18.968 10.809 -4.861 1.00 11.73 ? 445 ARG A O 1 ATOM 3212 C CB . ARG A 1 447 ? -21.895 9.846 -6.024 1.00 10.51 ? 445 ARG A CB 1 ATOM 3213 C CG . ARG A 1 447 ? -22.475 8.884 -7.085 1.00 10.71 ? 445 ARG A CG 1 ATOM 3214 C CD . ARG A 1 447 ? -23.778 9.339 -7.701 1.00 10.90 ? 445 ARG A CD 1 ATOM 3215 N NE . ARG A 1 447 ? -24.304 8.277 -8.567 1.00 12.03 ? 445 ARG A NE 1 ATOM 3216 C CZ . ARG A 1 447 ? -25.496 8.282 -9.162 1.00 12.75 ? 445 ARG A CZ 1 ATOM 3217 N NH1 . ARG A 1 447 ? -26.313 9.304 -9.017 1.00 12.70 ? 445 ARG A NH1 1 ATOM 3218 N NH2 . ARG A 1 447 ? -25.865 7.245 -9.900 1.00 14.89 ? 445 ARG A NH2 1 ATOM 3219 N N . PHE A 1 448 ? -20.453 10.442 -3.193 1.00 11.22 ? 446 PHE A N 1 ATOM 3220 C CA . PHE A 1 448 ? -19.782 11.277 -2.179 1.00 11.72 ? 446 PHE A CA 1 ATOM 3221 C C . PHE A 1 448 ? -18.364 10.786 -1.851 1.00 12.19 ? 446 PHE A C 1 ATOM 3222 O O . PHE A 1 448 ? -17.390 11.576 -1.893 1.00 11.86 ? 446 PHE A O 1 ATOM 3223 C CB . PHE A 1 448 ? -20.614 11.291 -0.878 1.00 11.04 ? 446 PHE A CB 1 ATOM 3224 C CG . PHE A 1 448 ? -19.900 11.900 0.302 1.00 11.37 ? 446 PHE A CG 1 ATOM 3225 C CD1 . PHE A 1 448 ? -19.602 13.271 0.321 1.00 11.42 ? 446 PHE A CD1 1 ATOM 3226 C CD2 . PHE A 1 448 ? -19.529 11.112 1.396 1.00 10.76 ? 446 PHE A CD2 1 ATOM 3227 C CE1 . PHE A 1 448 ? -18.924 13.860 1.423 1.00 12.82 ? 446 PHE A CE1 1 ATOM 3228 C CE2 . PHE A 1 448 ? -18.861 11.689 2.502 1.00 13.88 ? 446 PHE A CE2 1 ATOM 3229 C CZ . PHE A 1 448 ? -18.555 13.066 2.508 1.00 10.70 ? 446 PHE A CZ 1 ATOM 3230 N N . LEU A 1 449 ? -18.260 9.515 -1.460 1.00 12.50 ? 447 LEU A N 1 ATOM 3231 C CA . LEU A 1 449 ? -16.975 8.917 -1.094 1.00 13.53 ? 447 LEU A CA 1 ATOM 3232 C C . LEU A 1 449 ? -15.951 8.973 -2.216 1.00 14.21 ? 447 LEU A C 1 ATOM 3233 O O . LEU A 1 449 ? -14.751 9.115 -1.964 1.00 13.73 ? 447 LEU A O 1 ATOM 3234 C CB . LEU A 1 449 ? -17.140 7.453 -0.685 1.00 14.04 ? 447 LEU A CB 1 ATOM 3235 C CG . LEU A 1 449 ? -17.443 6.962 0.732 1.00 17.30 ? 447 LEU A CG 1 ATOM 3236 C CD1 . LEU A 1 449 ? -17.082 5.448 0.819 1.00 15.91 ? 447 LEU A CD1 1 ATOM 3237 C CD2 . LEU A 1 449 ? -16.692 7.743 1.801 1.00 14.33 ? 447 LEU A CD2 1 ATOM 3238 N N . ASN A 1 450 ? -16.437 8.853 -3.446 1.00 13.75 ? 448 ASN A N 1 ATOM 3239 C CA . ASN A 1 450 ? -15.591 8.792 -4.609 1.00 15.24 ? 448 ASN A CA 1 ATOM 3240 C C . ASN A 1 450 ? -15.437 10.129 -5.333 1.00 16.11 ? 448 ASN A C 1 ATOM 3241 O O . ASN A 1 450 ? -14.787 10.190 -6.372 1.00 16.85 ? 448 ASN A O 1 ATOM 3242 C CB . ASN A 1 450 ? -16.115 7.705 -5.540 1.00 14.90 ? 448 ASN A CB 1 ATOM 3243 C CG . ASN A 1 450 ? -15.841 6.324 -5.000 1.00 17.16 ? 448 ASN A CG 1 ATOM 3244 O OD1 . ASN A 1 450 ? -14.684 5.975 -4.753 1.00 18.07 ? 448 ASN A OD1 1 ATOM 3245 N ND2 . ASN A 1 450 ? -16.900 5.538 -4.766 1.00 16.49 ? 448 ASN A ND2 1 ATOM 3246 N N . LYS A 1 451 ? -16.012 11.189 -4.757 1.00 16.68 ? 449 LYS A N 1 ATOM 3247 C CA . LYS A 1 451 ? -15.946 12.540 -5.309 1.00 18.04 ? 449 LYS A CA 1 ATOM 3248 C C . LYS A 1 451 ? -16.449 12.501 -6.760 1.00 17.64 ? 449 LYS A C 1 ATOM 3249 O O . LYS A 1 451 ? -15.898 13.144 -7.653 1.00 18.89 ? 449 LYS A O 1 ATOM 3250 C CB . LYS A 1 451 ? -14.509 13.111 -5.186 1.00 17.85 ? 449 LYS A CB 1 ATOM 3251 C CG . LYS A 1 451 ? -14.416 14.643 -5.184 1.00 19.73 ? 449 LYS A CG 1 ATOM 3252 C CD . LYS A 1 451 ? -12.962 15.109 -5.380 1.00 20.89 ? 449 LYS A CD 1 ATOM 3253 C CE . LYS A 1 451 ? -12.852 16.613 -5.247 1.00 24.44 ? 449 LYS A CE 1 ATOM 3254 N NZ . LYS A 1 451 ? -11.437 17.063 -5.140 1.00 28.68 ? 449 LYS A NZ 1 ATOM 3255 N N . GLN A 1 452 ? -17.495 11.717 -6.991 1.00 16.30 ? 450 GLN A N 1 ATOM 3256 C CA . GLN A 1 452 ? -18.115 11.612 -8.318 1.00 16.41 ? 450 GLN A CA 1 ATOM 3257 C C . GLN A 1 452 ? -19.290 12.588 -8.390 1.00 15.75 ? 450 GLN A C 1 ATOM 3258 O O . GLN A 1 452 ? -19.828 12.985 -7.351 1.00 16.22 ? 450 GLN A O 1 ATOM 3259 C CB . GLN A 1 452 ? -18.584 10.175 -8.586 1.00 16.27 ? 450 GLN A CB 1 ATOM 3260 C CG . GLN A 1 452 ? -17.443 9.149 -8.763 1.00 18.59 ? 450 GLN A CG 1 ATOM 3261 C CD . GLN A 1 452 ? -16.738 9.317 -10.101 1.00 20.60 ? 450 GLN A CD 1 ATOM 3262 O OE1 . GLN A 1 452 ? -17.381 9.228 -11.147 1.00 22.27 ? 450 GLN A OE1 1 ATOM 3263 N NE2 . GLN A 1 452 ? -15.420 9.578 -10.075 1.00 17.47 ? 450 GLN A NE2 1 ATOM 3264 N N . PRO A 1 453 ? -19.702 12.986 -9.615 1.00 15.39 ? 451 PRO A N 1 ATOM 3265 C CA . PRO A 1 453 ? -20.891 13.851 -9.731 1.00 14.59 ? 451 PRO A CA 1 ATOM 3266 C C . PRO A 1 453 ? -22.104 13.172 -9.065 1.00 13.83 ? 451 PRO A C 1 ATOM 3267 O O . PRO A 1 453 ? -22.226 11.943 -9.150 1.00 13.52 ? 451 PRO A O 1 ATOM 3268 C CB . PRO A 1 453 ? -21.134 13.897 -11.238 1.00 14.76 ? 451 PRO A CB 1 ATOM 3269 C CG . PRO A 1 453 ? -19.762 13.630 -11.860 1.00 15.09 ? 451 PRO A CG 1 ATOM 3270 C CD . PRO A 1 453 ? -19.112 12.647 -10.933 1.00 15.59 ? 451 PRO A CD 1 ATOM 3271 N N . TYR A 1 454 ? -22.985 13.948 -8.437 1.00 12.99 ? 452 TYR A N 1 ATOM 3272 C CA . TYR A 1 454 ? -24.197 13.370 -7.832 1.00 13.18 ? 452 TYR A CA 1 ATOM 3273 C C . TYR A 1 454 ? -25.256 12.978 -8.856 1.00 12.90 ? 452 TYR A C 1 ATOM 3274 O O . TYR A 1 454 ? -25.967 12.002 -8.663 1.00 13.16 ? 452 TYR A O 1 ATOM 3275 C CB . TYR A 1 454 ? -24.787 14.295 -6.760 1.00 13.25 ? 452 TYR A CB 1 ATOM 3276 C CG . TYR A 1 454 ? -23.872 14.396 -5.581 1.00 13.53 ? 452 TYR A CG 1 ATOM 3277 C CD1 . TYR A 1 454 ? -23.708 13.308 -4.734 1.00 15.01 ? 452 TYR A CD1 1 ATOM 3278 C CD2 . TYR A 1 454 ? -23.148 15.556 -5.332 1.00 14.64 ? 452 TYR A CD2 1 ATOM 3279 C CE1 . TYR A 1 454 ? -22.857 13.366 -3.643 1.00 15.55 ? 452 TYR A CE1 1 ATOM 3280 C CE2 . TYR A 1 454 ? -22.277 15.630 -4.245 1.00 15.35 ? 452 TYR A CE2 1 ATOM 3281 C CZ . TYR A 1 454 ? -22.161 14.533 -3.401 1.00 15.73 ? 452 TYR A CZ 1 ATOM 3282 O OH . TYR A 1 454 ? -21.317 14.549 -2.335 1.00 16.20 ? 452 TYR A OH 1 ATOM 3283 N N . GLU A 1 455 ? -25.337 13.731 -9.945 1.00 12.93 ? 453 GLU A N 1 ATOM 3284 C CA . GLU A 1 455 ? -26.265 13.430 -11.050 1.00 13.03 ? 453 GLU A CA 1 ATOM 3285 C C . GLU A 1 455 ? -26.163 11.969 -11.475 1.00 13.81 ? 453 GLU A C 1 ATOM 3286 O O . GLU A 1 455 ? -25.042 11.429 -11.543 1.00 13.85 ? 453 GLU A O 1 ATOM 3287 C CB . GLU A 1 455 ? -25.969 14.323 -12.250 1.00 13.13 ? 453 GLU A CB 1 ATOM 3288 C CG . GLU A 1 455 ? -26.408 15.766 -12.093 1.00 12.06 ? 453 GLU A CG 1 ATOM 3289 C CD . GLU A 1 455 ? -25.414 16.632 -11.332 1.00 9.33 ? 453 GLU A CD 1 ATOM 3290 O OE1 . GLU A 1 455 ? -24.361 16.143 -10.859 1.00 9.47 ? 453 GLU A OE1 1 ATOM 3291 O OE2 . GLU A 1 455 ? -25.692 17.831 -11.202 1.00 12.42 ? 453 GLU A OE2 1 ATOM 3292 O OXT . GLU A 1 455 ? -27.172 11.302 -11.748 1.00 13.30 ? 453 GLU A OXT 1 HETATM 3293 C C1 . 7UZ B 2 . ? -31.298 11.092 14.672 1.00 12.92 ? 1454 7UZ A C1 1 HETATM 3294 O O2 . 7UZ B 2 . ? -31.999 11.116 13.631 1.00 11.84 ? 1454 7UZ A O2 1 HETATM 3295 O O3 . 7UZ B 2 . ? -30.129 10.654 14.749 1.00 11.40 ? 1454 7UZ A O3 1 HETATM 3296 C C4 . 7UZ B 2 . ? -31.939 11.655 15.951 1.00 13.51 ? 1454 7UZ A C4 1 HETATM 3297 C C5 . 7UZ B 2 . ? -32.039 13.191 15.807 1.00 14.38 ? 1454 7UZ A C5 1 HETATM 3298 O O6 . 7UZ B 2 . ? -33.046 13.649 15.185 1.00 13.90 ? 1454 7UZ A O6 1 HETATM 3299 O O7 . 7UZ B 2 . ? -31.101 13.891 16.278 1.00 13.30 ? 1454 7UZ A O7 1 HETATM 3300 C C8 . 7UZ B 2 . ? -33.348 11.044 16.147 1.00 16.68 ? 1454 7UZ A C8 1 HETATM 3301 C C10 . 7UZ B 2 . ? -33.372 9.484 16.095 1.00 20.00 ? 1454 7UZ A C10 1 HETATM 3302 C C13 . 7UZ B 2 . ? -32.445 8.851 17.139 1.00 20.04 ? 1454 7UZ A C13 1 HETATM 3303 C C14 . 7UZ B 2 . ? -32.535 7.297 17.179 1.00 19.94 ? 1454 7UZ A C14 1 HETATM 3304 C C15 . 7UZ B 2 . ? -33.985 6.831 17.309 1.00 19.88 ? 1454 7UZ A C15 1 HETATM 3305 C C16 . 7UZ B 2 . ? -34.905 7.481 16.253 1.00 22.08 ? 1454 7UZ A C16 1 HETATM 3306 C C17 . 7UZ B 2 . ? -34.828 9.016 16.330 1.00 21.51 ? 1454 7UZ A C17 1 HETATM 3307 CD CD . CD C 3 . ? -34.484 37.926 15.193 0.80 13.64 ? 1455 CD A CD 1 HETATM 3308 CD CD . CD D 3 . ? -31.868 21.228 9.317 0.50 18.23 ? 1456 CD A CD 1 HETATM 3309 CD CD . CD E 3 . ? -32.559 36.799 12.226 0.80 19.74 ? 1457 CD A CD 1 HETATM 3310 CD CD . CD F 3 . ? -4.838 -10.104 15.217 0.90 11.60 ? 1458 CD A CD 1 HETATM 3311 CD CD . CD G 3 . ? -33.477 20.582 12.796 0.60 14.86 ? 1459 CD A CD 1 HETATM 3312 C C1 . NAG H 4 . ? -19.139 22.587 28.573 1.00 22.06 ? 3010 NAG A C1 1 HETATM 3313 C C2 . NAG H 4 . ? -19.105 23.939 29.304 1.00 24.82 ? 3010 NAG A C2 1 HETATM 3314 C C3 . NAG H 4 . ? -17.716 24.270 29.854 1.00 27.52 ? 3010 NAG A C3 1 HETATM 3315 C C4 . NAG H 4 . ? -17.084 23.104 30.605 1.00 29.14 ? 3010 NAG A C4 1 HETATM 3316 C C5 . NAG H 4 . ? -17.312 21.768 29.867 1.00 27.25 ? 3010 NAG A C5 1 HETATM 3317 C C6 . NAG H 4 . ? -16.853 20.577 30.710 1.00 27.28 ? 3010 NAG A C6 1 HETATM 3318 C C7 . NAG H 4 . ? -20.618 25.732 28.784 1.00 25.84 ? 3010 NAG A C7 1 HETATM 3319 C C8 . NAG H 4 . ? -20.869 27.009 28.043 1.00 26.14 ? 3010 NAG A C8 1 HETATM 3320 N N2 . NAG H 4 . ? -19.537 25.030 28.448 1.00 25.38 ? 3010 NAG A N2 1 HETATM 3321 O O3 . NAG H 4 . ? -17.782 25.394 30.716 1.00 27.83 ? 3010 NAG A O3 1 HETATM 3322 O O4 . NAG H 4 . ? -15.693 23.369 30.712 1.00 32.47 ? 3010 NAG A O4 1 HETATM 3323 O O5 . NAG H 4 . ? -18.670 21.595 29.465 1.00 24.95 ? 3010 NAG A O5 1 HETATM 3324 O O6 . NAG H 4 . ? -17.713 20.349 31.815 1.00 27.20 ? 3010 NAG A O6 1 HETATM 3325 O O7 . NAG H 4 . ? -21.399 25.363 29.662 1.00 26.99 ? 3010 NAG A O7 1 HETATM 3326 C C1 . NAG I 4 . ? -15.262 23.803 32.021 1.00 36.05 ? 3011 NAG A C1 1 HETATM 3327 C C2 . NAG I 4 . ? -13.800 23.354 32.246 1.00 37.55 ? 3011 NAG A C2 1 HETATM 3328 C C3 . NAG I 4 . ? -13.480 22.936 33.672 1.00 39.55 ? 3011 NAG A C3 1 HETATM 3329 C C4 . NAG I 4 . ? -14.360 23.702 34.645 1.00 39.99 ? 3011 NAG A C4 1 HETATM 3330 C C5 . NAG I 4 . ? -15.813 23.292 34.396 1.00 39.92 ? 3011 NAG A C5 1 HETATM 3331 C C6 . NAG I 4 . ? -16.811 23.993 35.326 1.00 40.31 ? 3011 NAG A C6 1 HETATM 3332 C C7 . NAG I 4 . ? -12.723 22.541 30.221 1.00 37.06 ? 3011 NAG A C7 1 HETATM 3333 C C8 . NAG I 4 . ? -11.890 21.424 29.657 1.00 36.10 ? 3011 NAG A C8 1 HETATM 3334 N N2 . NAG I 4 . ? -13.374 22.284 31.355 1.00 37.26 ? 3011 NAG A N2 1 HETATM 3335 O O3 . NAG I 4 . ? -12.113 23.188 33.917 1.00 39.48 ? 3011 NAG A O3 1 HETATM 3336 O O4 . NAG I 4 . ? -13.962 23.393 35.962 1.00 41.10 ? 3011 NAG A O4 1 HETATM 3337 O O5 . NAG I 4 . ? -16.215 23.518 33.047 1.00 38.23 ? 3011 NAG A O5 1 HETATM 3338 O O6 . NAG I 4 . ? -16.633 25.395 35.262 1.00 40.91 ? 3011 NAG A O6 1 HETATM 3339 O O7 . NAG I 4 . ? -12.797 23.628 29.641 1.00 36.42 ? 3011 NAG A O7 1 HETATM 3340 C C1 . NAG J 4 . ? -43.066 -1.972 17.985 1.00 21.79 ? 3020 NAG A C1 1 HETATM 3341 C C2 . NAG J 4 . ? -44.505 -2.465 17.729 1.00 23.94 ? 3020 NAG A C2 1 HETATM 3342 C C3 . NAG J 4 . ? -44.719 -3.958 18.061 1.00 26.29 ? 3020 NAG A C3 1 HETATM 3343 C C4 . NAG J 4 . ? -43.567 -4.847 17.575 1.00 26.08 ? 3020 NAG A C4 1 HETATM 3344 C C5 . NAG J 4 . ? -42.238 -4.183 17.937 1.00 23.63 ? 3020 NAG A C5 1 HETATM 3345 C C6 . NAG J 4 . ? -41.021 -5.013 17.511 1.00 21.28 ? 3020 NAG A C6 1 HETATM 3346 C C7 . NAG J 4 . ? -46.227 -0.738 17.742 1.00 24.02 ? 3020 NAG A C7 1 HETATM 3347 C C8 . NAG J 4 . ? -47.412 -0.162 18.464 1.00 25.07 ? 3020 NAG A C8 1 HETATM 3348 N N2 . NAG J 4 . ? -45.477 -1.625 18.410 1.00 23.16 ? 3020 NAG A N2 1 HETATM 3349 O O3 . NAG J 4 . ? -45.932 -4.445 17.506 1.00 24.94 ? 3020 NAG A O3 1 HETATM 3350 O O4 . NAG J 4 . ? -43.637 -6.093 18.246 1.00 29.76 ? 3020 NAG A O4 1 HETATM 3351 O O5 . NAG J 4 . ? -42.176 -2.881 17.365 1.00 23.05 ? 3020 NAG A O5 1 HETATM 3352 O O6 . NAG J 4 . ? -40.831 -4.866 16.123 1.00 20.71 ? 3020 NAG A O6 1 HETATM 3353 O O7 . NAG J 4 . ? -45.992 -0.388 16.586 1.00 25.56 ? 3020 NAG A O7 1 HETATM 3354 C C1 . NAG K 4 . ? -44.118 -7.237 17.488 1.00 36.01 ? 3021 NAG A C1 1 HETATM 3355 C C2 . NAG K 4 . ? -43.264 -8.488 17.806 1.00 37.58 ? 3021 NAG A C2 1 HETATM 3356 C C3 . NAG K 4 . ? -43.183 -9.456 16.630 1.00 39.70 ? 3021 NAG A C3 1 HETATM 3357 C C4 . NAG K 4 . ? -44.475 -9.494 15.813 1.00 40.59 ? 3021 NAG A C4 1 HETATM 3358 C C5 . NAG K 4 . ? -44.912 -8.096 15.346 1.00 39.45 ? 3021 NAG A C5 1 HETATM 3359 C C6 . NAG K 4 . ? -46.443 -7.952 15.315 1.00 39.93 ? 3021 NAG A C6 1 HETATM 3360 C C7 . NAG K 4 . ? -41.486 -8.065 19.454 1.00 36.57 ? 3021 NAG A C7 1 HETATM 3361 C C8 . NAG K 4 . ? -40.013 -7.866 19.672 1.00 35.19 ? 3021 NAG A C8 1 HETATM 3362 N N2 . NAG K 4 . ? -41.898 -8.162 18.189 1.00 37.30 ? 3021 NAG A N2 1 HETATM 3363 O O3 . NAG K 4 . ? -42.903 -10.734 17.150 1.00 41.57 ? 3021 NAG A O3 1 HETATM 3364 O O4 . NAG K 4 . ? -44.312 -10.333 14.689 1.00 41.96 ? 3021 NAG A O4 1 HETATM 3365 O O5 . NAG K 4 . ? -44.300 -7.039 16.090 1.00 38.27 ? 3021 NAG A O5 1 HETATM 3366 O O6 . NAG K 4 . ? -47.070 -8.568 16.427 1.00 40.03 ? 3021 NAG A O6 1 HETATM 3367 O O7 . NAG K 4 . ? -42.250 -8.119 20.412 1.00 36.59 ? 3021 NAG A O7 1 HETATM 3368 O O . HOH L 5 . ? -3.001 -5.051 18.526 1.00 33.86 ? 2001 HOH A O 1 HETATM 3369 O O . HOH L 5 . ? -0.834 -7.748 18.165 1.00 54.47 ? 2002 HOH A O 1 HETATM 3370 O O . HOH L 5 . ? -5.291 -3.816 21.507 1.00 33.33 ? 2003 HOH A O 1 HETATM 3371 O O . HOH L 5 . ? -19.049 29.829 28.560 1.00 65.82 ? 2004 HOH A O 1 HETATM 3372 O O . HOH L 5 . ? -14.614 28.963 30.848 1.00 34.51 ? 2005 HOH A O 1 HETATM 3373 O O . HOH L 5 . ? -10.429 21.209 26.371 1.00 48.66 ? 2006 HOH A O 1 HETATM 3374 O O . HOH L 5 . ? -7.859 26.298 32.983 1.00 41.21 ? 2007 HOH A O 1 HETATM 3375 O O . HOH L 5 . ? -11.825 25.071 39.823 1.00 52.37 ? 2008 HOH A O 1 HETATM 3376 O O . HOH L 5 . ? -17.142 24.448 40.013 1.00 46.87 ? 2009 HOH A O 1 HETATM 3377 O O . HOH L 5 . ? -48.877 -3.511 15.384 1.00 52.57 ? 2010 HOH A O 1 HETATM 3378 O O . HOH L 5 . ? -47.329 -13.202 11.255 1.00 58.32 ? 2011 HOH A O 1 HETATM 3379 O O . HOH L 5 . ? -29.071 40.279 9.623 1.00 50.35 ? 2012 HOH A O 1 HETATM 3380 O O . HOH L 5 . ? -19.496 20.676 35.785 1.00 59.28 ? 2013 HOH A O 1 HETATM 3381 O O . HOH L 5 . ? -9.142 25.203 23.593 1.00 51.33 ? 2014 HOH A O 1 HETATM 3382 O O . HOH L 5 . ? -14.922 24.795 42.021 1.00 45.22 ? 2015 HOH A O 1 HETATM 3383 O O . HOH L 5 . ? -51.163 -2.956 22.120 1.00 46.61 ? 2016 HOH A O 1 HETATM 3384 O O . HOH L 5 . ? -47.072 -7.433 10.717 1.00 46.81 ? 2017 HOH A O 1 HETATM 3385 O O . HOH L 5 . ? -3.943 -7.372 16.293 1.00 24.37 ? 2018 HOH A O 1 HETATM 3386 O O . HOH L 5 . ? -4.625 -7.011 19.909 1.00 21.39 ? 2019 HOH A O 1 HETATM 3387 O O . HOH L 5 . ? -4.780 -2.644 19.017 1.00 28.85 ? 2020 HOH A O 1 HETATM 3388 O O . HOH L 5 . ? -10.225 -5.379 26.386 1.00 36.78 ? 2021 HOH A O 1 HETATM 3389 O O . HOH L 5 . ? -10.234 -11.488 24.045 1.00 20.21 ? 2022 HOH A O 1 HETATM 3390 O O . HOH L 5 . ? -8.760 -2.001 24.407 1.00 45.45 ? 2023 HOH A O 1 HETATM 3391 O O . HOH L 5 . ? -5.071 -1.688 24.100 0.50 38.79 ? 2024 HOH A O 1 HETATM 3392 O O . HOH L 5 . ? -11.286 -1.361 26.481 1.00 26.73 ? 2025 HOH A O 1 HETATM 3393 O O . HOH L 5 . ? -16.578 -12.892 21.387 1.00 12.98 ? 2026 HOH A O 1 HETATM 3394 O O . HOH L 5 . ? -14.169 -13.568 11.459 1.00 46.58 ? 2027 HOH A O 1 HETATM 3395 O O . HOH L 5 . ? -6.682 -6.644 21.851 1.00 24.81 ? 2028 HOH A O 1 HETATM 3396 O O . HOH L 5 . ? -12.699 -11.213 20.093 1.00 30.61 ? 2029 HOH A O 1 HETATM 3397 O O . HOH L 5 . ? -9.872 -11.952 17.341 1.00 27.16 ? 2030 HOH A O 1 HETATM 3398 O O . HOH L 5 . ? -8.793 -8.477 14.743 1.00 31.19 ? 2031 HOH A O 1 HETATM 3399 O O . HOH L 5 . ? -20.309 -14.801 22.296 1.00 35.15 ? 2032 HOH A O 1 HETATM 3400 O O . HOH L 5 . ? -12.038 -15.168 25.720 1.00 23.81 ? 2033 HOH A O 1 HETATM 3401 O O . HOH L 5 . ? -11.145 -20.358 19.909 1.00 49.45 ? 2034 HOH A O 1 HETATM 3402 O O . HOH L 5 . ? -10.215 -16.155 21.577 1.00 34.52 ? 2035 HOH A O 1 HETATM 3403 O O . HOH L 5 . ? -24.048 -16.690 21.674 1.00 29.23 ? 2036 HOH A O 1 HETATM 3404 O O . HOH L 5 . ? -18.320 -22.370 16.697 1.00 62.50 ? 2037 HOH A O 1 HETATM 3405 O O . HOH L 5 . ? -12.973 -6.009 24.532 1.00 19.61 ? 2038 HOH A O 1 HETATM 3406 O O . HOH L 5 . ? -11.508 -9.849 24.800 1.00 34.89 ? 2039 HOH A O 1 HETATM 3407 O O . HOH L 5 . ? -6.903 -3.423 23.481 1.00 49.02 ? 2040 HOH A O 1 HETATM 3408 O O . HOH L 5 . ? -6.250 -4.139 25.812 1.00 39.15 ? 2041 HOH A O 1 HETATM 3409 O O . HOH L 5 . ? -32.631 -16.999 16.124 1.00 42.62 ? 2042 HOH A O 1 HETATM 3410 O O . HOH L 5 . ? -32.064 -15.227 9.329 1.00 51.53 ? 2043 HOH A O 1 HETATM 3411 O O . HOH L 5 . ? -29.899 -17.806 12.433 1.00 28.96 ? 2044 HOH A O 1 HETATM 3412 O O . HOH L 5 . ? -28.341 -14.752 5.748 1.00 10.17 ? 2045 HOH A O 1 HETATM 3413 O O . HOH L 5 . ? -30.924 -20.630 8.889 1.00 43.36 ? 2046 HOH A O 1 HETATM 3414 O O . HOH L 5 . ? -29.994 -20.317 10.974 1.00 39.60 ? 2047 HOH A O 1 HETATM 3415 O O . HOH L 5 . ? -13.124 -2.497 24.693 1.00 22.50 ? 2048 HOH A O 1 HETATM 3416 O O . HOH L 5 . ? -9.542 -4.169 23.803 1.00 29.86 ? 2049 HOH A O 1 HETATM 3417 O O . HOH L 5 . ? -10.968 -0.890 23.137 1.00 21.82 ? 2050 HOH A O 1 HETATM 3418 O O . HOH L 5 . ? -28.084 -13.542 2.890 1.00 57.63 ? 2051 HOH A O 1 HETATM 3419 O O . HOH L 5 . ? -12.219 -8.728 2.376 1.00 38.07 ? 2052 HOH A O 1 HETATM 3420 O O . HOH L 5 . ? -9.813 -9.972 3.707 1.00 42.37 ? 2053 HOH A O 1 HETATM 3421 O O . HOH L 5 . ? -17.626 -11.385 20.309 1.00 26.64 ? 2054 HOH A O 1 HETATM 3422 O O . HOH L 5 . ? -10.727 -12.531 12.150 1.00 21.32 ? 2055 HOH A O 1 HETATM 3423 O O . HOH L 5 . ? -11.536 -13.728 15.512 1.00 31.81 ? 2056 HOH A O 1 HETATM 3424 O O . HOH L 5 . ? -13.994 -13.386 14.094 1.00 30.86 ? 2057 HOH A O 1 HETATM 3425 O O . HOH L 5 . ? -15.157 -10.292 13.249 1.00 10.70 ? 2058 HOH A O 1 HETATM 3426 O O . HOH L 5 . ? -6.094 -3.153 7.312 1.00 51.09 ? 2059 HOH A O 1 HETATM 3427 O O . HOH L 5 . ? -18.534 -11.403 13.211 1.00 10.51 ? 2060 HOH A O 1 HETATM 3428 O O . HOH L 5 . ? -18.908 -13.537 19.741 1.00 27.00 ? 2061 HOH A O 1 HETATM 3429 O O . HOH L 5 . ? -15.614 -14.972 13.276 1.00 59.03 ? 2062 HOH A O 1 HETATM 3430 O O . HOH L 5 . ? -13.527 -14.568 23.640 1.00 45.83 ? 2063 HOH A O 1 HETATM 3431 O O . HOH L 5 . ? -11.514 -17.715 20.194 1.00 45.27 ? 2064 HOH A O 1 HETATM 3432 O O . HOH L 5 . ? -11.801 -13.945 21.981 1.00 42.95 ? 2065 HOH A O 1 HETATM 3433 O O . HOH L 5 . ? -8.902 3.217 27.558 1.00 38.73 ? 2066 HOH A O 1 HETATM 3434 O O . HOH L 5 . ? -23.580 -16.497 19.051 1.00 38.71 ? 2067 HOH A O 1 HETATM 3435 O O . HOH L 5 . ? -21.615 -15.506 20.242 1.00 40.37 ? 2068 HOH A O 1 HETATM 3436 O O . HOH L 5 . ? -25.331 -20.859 16.314 1.00 58.26 ? 2069 HOH A O 1 HETATM 3437 O O . HOH L 5 . ? -25.101 -17.170 16.214 1.00 45.89 ? 2070 HOH A O 1 HETATM 3438 O O . HOH L 5 . ? -23.116 -20.777 11.250 1.00 40.25 ? 2071 HOH A O 1 HETATM 3439 O O . HOH L 5 . ? -19.507 -20.343 10.819 1.00 46.04 ? 2072 HOH A O 1 HETATM 3440 O O . HOH L 5 . ? -18.808 -19.474 14.446 1.00 55.37 ? 2073 HOH A O 1 HETATM 3441 O O . HOH L 5 . ? -24.962 -18.551 12.263 1.00 50.07 ? 2074 HOH A O 1 HETATM 3442 O O . HOH L 5 . ? -26.302 -21.530 11.697 1.00 38.41 ? 2075 HOH A O 1 HETATM 3443 O O . HOH L 5 . ? -13.170 18.434 27.600 1.00 20.06 ? 2076 HOH A O 1 HETATM 3444 O O . HOH L 5 . ? -12.208 7.544 37.208 1.00 33.82 ? 2077 HOH A O 1 HETATM 3445 O O . HOH L 5 . ? -12.279 0.222 28.249 1.00 20.73 ? 2078 HOH A O 1 HETATM 3446 O O . HOH L 5 . ? -11.321 1.638 33.043 1.00 25.29 ? 2079 HOH A O 1 HETATM 3447 O O . HOH L 5 . ? -12.834 -1.297 36.955 1.00 47.13 ? 2080 HOH A O 1 HETATM 3448 O O . HOH L 5 . ? -21.035 -13.121 13.297 1.00 18.94 ? 2081 HOH A O 1 HETATM 3449 O O . HOH L 5 . ? -23.809 -15.918 13.968 1.00 34.06 ? 2082 HOH A O 1 HETATM 3450 O O . HOH L 5 . ? -28.021 -16.756 16.396 1.00 26.65 ? 2083 HOH A O 1 HETATM 3451 O O . HOH L 5 . ? -30.093 -15.729 17.635 1.00 40.61 ? 2084 HOH A O 1 HETATM 3452 O O . HOH L 5 . ? -31.070 -15.910 11.757 1.00 23.42 ? 2085 HOH A O 1 HETATM 3453 O O . HOH L 5 . ? -29.063 -13.567 8.785 1.00 23.74 ? 2086 HOH A O 1 HETATM 3454 O O . HOH L 5 . ? -27.648 -20.653 9.577 1.00 15.72 ? 2087 HOH A O 1 HETATM 3455 O O . HOH L 5 . ? -24.144 -20.299 8.310 1.00 14.72 ? 2088 HOH A O 1 HETATM 3456 O O . HOH L 5 . ? -24.742 -8.218 1.942 1.00 39.99 ? 2089 HOH A O 1 HETATM 3457 O O . HOH L 5 . ? -18.862 -6.205 -2.435 1.00 33.90 ? 2090 HOH A O 1 HETATM 3458 O O . HOH L 5 . ? -21.237 -7.627 -2.644 1.00 39.56 ? 2091 HOH A O 1 HETATM 3459 O O . HOH L 5 . ? -15.729 -0.899 -4.316 1.00 47.32 ? 2092 HOH A O 1 HETATM 3460 O O . HOH L 5 . ? -12.738 -1.340 -3.929 1.00 64.87 ? 2093 HOH A O 1 HETATM 3461 O O . HOH L 5 . ? -29.946 -15.436 2.389 1.00 31.07 ? 2094 HOH A O 1 HETATM 3462 O O . HOH L 5 . ? -8.778 -7.680 -1.011 1.00 78.45 ? 2095 HOH A O 1 HETATM 3463 O O . HOH L 5 . ? -20.278 -16.587 5.036 1.00 26.92 ? 2096 HOH A O 1 HETATM 3464 O O . HOH L 5 . ? -5.516 3.830 2.203 1.00 46.32 ? 2097 HOH A O 1 HETATM 3465 O O . HOH L 5 . ? -11.334 6.328 -2.057 1.00 44.07 ? 2098 HOH A O 1 HETATM 3466 O O . HOH L 5 . ? -14.572 -12.944 8.856 1.00 45.17 ? 2099 HOH A O 1 HETATM 3467 O O . HOH L 5 . ? -16.471 -14.133 10.235 1.00 48.27 ? 2100 HOH A O 1 HETATM 3468 O O . HOH L 5 . ? -20.803 -10.245 4.524 1.00 22.59 ? 2101 HOH A O 1 HETATM 3469 O O . HOH L 5 . ? -13.280 -12.169 6.901 1.00 50.35 ? 2102 HOH A O 1 HETATM 3470 O O . HOH L 5 . ? -15.659 -9.192 2.426 1.00 33.36 ? 2103 HOH A O 1 HETATM 3471 O O . HOH L 5 . ? -12.037 -10.706 5.110 1.00 48.16 ? 2104 HOH A O 1 HETATM 3472 O O . HOH L 5 . ? -16.697 -11.323 11.120 1.00 20.71 ? 2105 HOH A O 1 HETATM 3473 O O . HOH L 5 . ? -12.537 -7.319 7.004 1.00 12.26 ? 2106 HOH A O 1 HETATM 3474 O O . HOH L 5 . ? -7.179 -7.245 9.616 1.00 38.68 ? 2107 HOH A O 1 HETATM 3475 O O . HOH L 5 . ? -8.833 -5.877 10.934 1.00 26.30 ? 2108 HOH A O 1 HETATM 3476 O O . HOH L 5 . ? -7.638 -8.255 11.975 1.00 35.58 ? 2109 HOH A O 1 HETATM 3477 O O . HOH L 5 . ? -8.210 -5.136 7.214 1.00 36.72 ? 2110 HOH A O 1 HETATM 3478 O O . HOH L 5 . ? -37.425 5.759 14.918 1.00 54.04 ? 2111 HOH A O 1 HETATM 3479 O O . HOH L 5 . ? -35.300 1.577 16.127 1.00 25.94 ? 2112 HOH A O 1 HETATM 3480 O O . HOH L 5 . ? -36.000 -1.607 13.307 1.00 23.38 ? 2113 HOH A O 1 HETATM 3481 O O . HOH L 5 . ? -37.388 0.272 9.759 1.00 28.11 ? 2114 HOH A O 1 HETATM 3482 O O . HOH L 5 . ? -10.248 2.281 24.811 1.00 32.25 ? 2115 HOH A O 1 HETATM 3483 O O . HOH L 5 . ? -37.980 -3.911 9.602 1.00 42.29 ? 2116 HOH A O 1 HETATM 3484 O O . HOH L 5 . ? -37.340 -12.364 10.412 1.00 45.67 ? 2117 HOH A O 1 HETATM 3485 O O . HOH L 5 . ? -41.039 -9.787 9.330 1.00 44.60 ? 2118 HOH A O 1 HETATM 3486 O O . HOH L 5 . ? -40.422 -7.081 7.634 1.00 40.27 ? 2119 HOH A O 1 HETATM 3487 O O . HOH L 5 . ? -35.017 -8.084 4.960 1.00 44.14 ? 2120 HOH A O 1 HETATM 3488 O O . HOH L 5 . ? -42.790 -9.024 10.830 1.00 41.22 ? 2121 HOH A O 1 HETATM 3489 O O . HOH L 5 . ? -38.899 -14.471 18.466 1.00 38.84 ? 2122 HOH A O 1 HETATM 3490 O O . HOH L 5 . ? -37.865 -13.857 20.912 1.00 55.76 ? 2123 HOH A O 1 HETATM 3491 O O . HOH L 5 . ? -37.646 -11.372 22.851 1.00 56.19 ? 2124 HOH A O 1 HETATM 3492 O O . HOH L 5 . ? -33.537 -11.182 24.271 1.00 39.64 ? 2125 HOH A O 1 HETATM 3493 O O . HOH L 5 . ? -35.035 -11.987 22.601 1.00 38.64 ? 2126 HOH A O 1 HETATM 3494 O O . HOH L 5 . ? -8.439 9.240 24.113 1.00 15.84 ? 2127 HOH A O 1 HETATM 3495 O O . HOH L 5 . ? -10.864 6.910 33.253 1.00 30.63 ? 2128 HOH A O 1 HETATM 3496 O O . HOH L 5 . ? -9.469 10.577 29.176 1.00 28.71 ? 2129 HOH A O 1 HETATM 3497 O O . HOH L 5 . ? -8.445 11.020 31.975 1.00 42.71 ? 2130 HOH A O 1 HETATM 3498 O O . HOH L 5 . ? -33.004 -19.303 12.480 1.00 48.59 ? 2131 HOH A O 1 HETATM 3499 O O . HOH L 5 . ? -8.340 10.800 26.157 1.00 33.47 ? 2132 HOH A O 1 HETATM 3500 O O . HOH L 5 . ? -33.161 -10.144 3.144 1.00 72.28 ? 2133 HOH A O 1 HETATM 3501 O O . HOH L 5 . ? -33.345 -7.703 0.528 1.00 53.94 ? 2134 HOH A O 1 HETATM 3502 O O . HOH L 5 . ? -27.584 -9.287 0.737 1.00 41.66 ? 2135 HOH A O 1 HETATM 3503 O O . HOH L 5 . ? -36.341 -6.208 2.611 1.00 44.16 ? 2136 HOH A O 1 HETATM 3504 O O . HOH L 5 . ? -31.570 -9.190 -1.172 1.00 43.88 ? 2137 HOH A O 1 HETATM 3505 O O . HOH L 5 . ? -14.324 16.658 26.373 1.00 15.72 ? 2138 HOH A O 1 HETATM 3506 O O . HOH L 5 . ? -13.418 15.647 31.077 1.00 25.77 ? 2139 HOH A O 1 HETATM 3507 O O . HOH L 5 . ? -33.634 -2.772 1.593 1.00 51.72 ? 2140 HOH A O 1 HETATM 3508 O O . HOH L 5 . ? -24.509 -7.546 -0.731 1.00 51.29 ? 2141 HOH A O 1 HETATM 3509 O O . HOH L 5 . ? -22.332 -5.111 -3.965 1.00 64.82 ? 2142 HOH A O 1 HETATM 3510 O O . HOH L 5 . ? -25.940 -0.720 -5.972 1.00 42.71 ? 2143 HOH A O 1 HETATM 3511 O O . HOH L 5 . ? -23.712 -2.522 -4.107 1.00 46.52 ? 2144 HOH A O 1 HETATM 3512 O O . HOH L 5 . ? -36.524 -1.230 -7.488 1.00 61.32 ? 2145 HOH A O 1 HETATM 3513 O O . HOH L 5 . ? -37.170 0.335 -4.941 1.00 41.27 ? 2146 HOH A O 1 HETATM 3514 O O . HOH L 5 . ? -33.999 -1.913 -7.764 1.00 52.84 ? 2147 HOH A O 1 HETATM 3515 O O . HOH L 5 . ? -35.643 -0.659 -1.176 1.00 52.12 ? 2148 HOH A O 1 HETATM 3516 O O . HOH L 5 . ? -37.323 -4.002 -3.565 1.00 39.15 ? 2149 HOH A O 1 HETATM 3517 O O . HOH L 5 . ? -9.700 14.707 29.901 1.00 33.89 ? 2150 HOH A O 1 HETATM 3518 O O . HOH L 5 . ? -15.700 12.506 32.583 1.00 16.27 ? 2151 HOH A O 1 HETATM 3519 O O . HOH L 5 . ? -14.244 9.139 37.939 1.00 50.95 ? 2152 HOH A O 1 HETATM 3520 O O . HOH L 5 . ? -14.447 11.552 35.827 1.00 28.93 ? 2153 HOH A O 1 HETATM 3521 O O . HOH L 5 . ? -10.712 10.924 34.943 1.00 38.04 ? 2154 HOH A O 1 HETATM 3522 O O . HOH L 5 . ? -20.484 -2.706 -4.218 1.00 57.44 ? 2155 HOH A O 1 HETATM 3523 O O . HOH L 5 . ? -18.196 -2.252 -5.329 1.00 45.57 ? 2156 HOH A O 1 HETATM 3524 O O . HOH L 5 . ? -17.432 15.906 31.793 1.00 27.93 ? 2157 HOH A O 1 HETATM 3525 O O . HOH L 5 . ? -12.111 3.150 27.119 1.00 15.18 ? 2158 HOH A O 1 HETATM 3526 O O . HOH L 5 . ? -13.996 1.784 33.162 1.00 16.96 ? 2159 HOH A O 1 HETATM 3527 O O . HOH L 5 . ? -11.897 4.911 33.072 1.00 23.28 ? 2160 HOH A O 1 HETATM 3528 O O . HOH L 5 . ? -20.423 13.349 29.048 1.00 20.20 ? 2161 HOH A O 1 HETATM 3529 O O . HOH L 5 . ? -28.677 3.908 31.750 1.00 28.35 ? 2162 HOH A O 1 HETATM 3530 O O . HOH L 5 . ? -26.988 5.368 32.710 1.00 31.56 ? 2163 HOH A O 1 HETATM 3531 O O . HOH L 5 . ? -14.525 -3.291 28.274 1.00 20.64 ? 2164 HOH A O 1 HETATM 3532 O O . HOH L 5 . ? -18.134 10.358 41.848 1.00 41.34 ? 2165 HOH A O 1 HETATM 3533 O O . HOH L 5 . ? -15.273 -0.883 38.278 1.00 53.86 ? 2166 HOH A O 1 HETATM 3534 O O . HOH L 5 . ? -13.688 3.766 38.746 1.00 41.22 ? 2167 HOH A O 1 HETATM 3535 O O . HOH L 5 . ? -25.795 4.652 34.510 1.00 37.81 ? 2168 HOH A O 1 HETATM 3536 O O . HOH L 5 . ? -26.796 3.308 36.165 1.00 38.64 ? 2169 HOH A O 1 HETATM 3537 O O . HOH L 5 . ? -21.694 17.080 35.611 1.00 36.48 ? 2170 HOH A O 1 HETATM 3538 O O . HOH L 5 . ? -14.088 20.355 26.220 1.00 26.51 ? 2171 HOH A O 1 HETATM 3539 O O . HOH L 5 . ? -18.708 28.320 25.216 1.00 37.40 ? 2172 HOH A O 1 HETATM 3540 O O . HOH L 5 . ? -13.702 -7.468 4.296 1.00 17.61 ? 2173 HOH A O 1 HETATM 3541 O O . HOH L 5 . ? -22.587 -9.546 2.768 1.00 43.34 ? 2174 HOH A O 1 HETATM 3542 O O . HOH L 5 . ? -19.804 -8.108 -0.544 1.00 43.90 ? 2175 HOH A O 1 HETATM 3543 O O . HOH L 5 . ? -24.495 -6.349 3.884 1.00 12.23 ? 2176 HOH A O 1 HETATM 3544 O O . HOH L 5 . ? -10.481 23.512 21.042 1.00 27.99 ? 2177 HOH A O 1 HETATM 3545 O O . HOH L 5 . ? -12.326 21.703 24.875 1.00 17.02 ? 2178 HOH A O 1 HETATM 3546 O O . HOH L 5 . ? -7.743 21.892 21.865 1.00 51.42 ? 2179 HOH A O 1 HETATM 3547 O O . HOH L 5 . ? -7.009 19.181 25.030 1.00 44.07 ? 2180 HOH A O 1 HETATM 3548 O O . HOH L 5 . ? -4.689 17.954 24.248 0.50 36.19 ? 2181 HOH A O 1 HETATM 3549 O O . HOH L 5 . ? -13.617 0.129 -1.643 1.00 33.36 ? 2182 HOH A O 1 HETATM 3550 O O . HOH L 5 . ? -10.696 18.703 28.051 1.00 33.13 ? 2183 HOH A O 1 HETATM 3551 O O . HOH L 5 . ? -6.034 14.867 25.524 1.00 30.05 ? 2184 HOH A O 1 HETATM 3552 O O . HOH L 5 . ? -11.985 -7.504 -0.403 1.00 31.44 ? 2185 HOH A O 1 HETATM 3553 O O . HOH L 5 . ? -4.937 10.329 15.956 1.00 19.79 ? 2186 HOH A O 1 HETATM 3554 O O . HOH L 5 . ? 0.993 0.625 18.179 1.00 25.79 ? 2187 HOH A O 1 HETATM 3555 O O . HOH L 5 . ? -5.173 -0.821 6.261 1.00 34.19 ? 2188 HOH A O 1 HETATM 3556 O O . HOH L 5 . ? -0.613 -2.733 9.327 1.00 41.22 ? 2189 HOH A O 1 HETATM 3557 O O . HOH L 5 . ? 1.329 -1.449 13.955 1.00 41.88 ? 2190 HOH A O 1 HETATM 3558 O O . HOH L 5 . ? 0.617 -0.168 11.779 1.00 64.57 ? 2191 HOH A O 1 HETATM 3559 O O . HOH L 5 . ? -4.014 -6.088 5.101 1.00 51.17 ? 2192 HOH A O 1 HETATM 3560 O O . HOH L 5 . ? -2.529 -4.279 8.207 1.00 55.78 ? 2193 HOH A O 1 HETATM 3561 O O . HOH L 5 . ? 2.538 1.469 4.322 1.00 50.67 ? 2194 HOH A O 1 HETATM 3562 O O . HOH L 5 . ? -8.567 5.284 2.157 1.00 25.78 ? 2195 HOH A O 1 HETATM 3563 O O . HOH L 5 . ? -9.736 5.342 -0.147 1.00 55.12 ? 2196 HOH A O 1 HETATM 3564 O O . HOH L 5 . ? -3.585 2.379 3.340 1.00 63.08 ? 2197 HOH A O 1 HETATM 3565 O O . HOH L 5 . ? 0.495 9.014 12.195 1.00 45.18 ? 2198 HOH A O 1 HETATM 3566 O O . HOH L 5 . ? 1.033 11.783 10.139 1.00 52.38 ? 2199 HOH A O 1 HETATM 3567 O O . HOH L 5 . ? -9.137 12.386 -2.622 1.00 53.38 ? 2200 HOH A O 1 HETATM 3568 O O . HOH L 5 . ? -3.427 8.113 -2.419 1.00 45.63 ? 2201 HOH A O 1 HETATM 3569 O O . HOH L 5 . ? -2.975 -3.321 2.231 1.00 57.05 ? 2202 HOH A O 1 HETATM 3570 O O . HOH L 5 . ? -13.007 24.659 17.766 1.00 15.26 ? 2203 HOH A O 1 HETATM 3571 O O . HOH L 5 . ? -23.699 10.176 18.262 1.00 6.84 ? 2204 HOH A O 1 HETATM 3572 O O . HOH L 5 . ? -26.133 11.706 20.945 1.00 7.72 ? 2205 HOH A O 1 HETATM 3573 O O . HOH L 5 . ? -3.797 18.485 7.277 1.00 39.60 ? 2206 HOH A O 1 HETATM 3574 O O . HOH L 5 . ? -8.023 25.739 12.288 1.00 39.11 ? 2207 HOH A O 1 HETATM 3575 O O . HOH L 5 . ? -3.071 22.464 11.115 1.00 52.12 ? 2208 HOH A O 1 HETATM 3576 O O . HOH L 5 . ? -9.218 27.852 10.979 1.00 59.03 ? 2209 HOH A O 1 HETATM 3577 O O . HOH L 5 . ? -2.365 26.851 12.415 1.00 58.10 ? 2210 HOH A O 1 HETATM 3578 O O . HOH L 5 . ? -32.589 16.173 16.930 1.00 53.72 ? 2211 HOH A O 1 HETATM 3579 O O . HOH L 5 . ? -33.824 17.092 22.064 1.00 59.34 ? 2212 HOH A O 1 HETATM 3580 O O . HOH L 5 . ? 1.569 14.594 13.559 1.00 43.74 ? 2213 HOH A O 1 HETATM 3581 O O . HOH L 5 . ? 1.905 18.437 14.161 1.00 56.26 ? 2214 HOH A O 1 HETATM 3582 O O . HOH L 5 . ? -5.788 16.915 2.724 1.00 33.07 ? 2215 HOH A O 1 HETATM 3583 O O . HOH L 5 . ? -24.641 7.858 19.479 1.00 6.50 ? 2216 HOH A O 1 HETATM 3584 O O . HOH L 5 . ? -11.546 13.203 -3.078 1.00 148.01 ? 2217 HOH A O 1 HETATM 3585 O O . HOH L 5 . ? -36.230 11.887 21.147 1.00 53.46 ? 2218 HOH A O 1 HETATM 3586 O O . HOH L 5 . ? -4.528 19.399 0.096 1.00 47.06 ? 2219 HOH A O 1 HETATM 3587 O O . HOH L 5 . ? -35.275 3.859 14.238 1.00 52.12 ? 2220 HOH A O 1 HETATM 3588 O O . HOH L 5 . ? -35.239 21.944 19.810 1.00 71.12 ? 2221 HOH A O 1 HETATM 3589 O O . HOH L 5 . ? -32.348 33.962 8.228 1.00 47.19 ? 2222 HOH A O 1 HETATM 3590 O O . HOH L 5 . ? -33.157 40.364 10.361 1.00 53.75 ? 2223 HOH A O 1 HETATM 3591 O O . HOH L 5 . ? -34.865 32.206 1.637 1.00 40.48 ? 2224 HOH A O 1 HETATM 3592 O O . HOH L 5 . ? -27.109 33.673 7.138 1.00 37.27 ? 2225 HOH A O 1 HETATM 3593 O O . HOH L 5 . ? -39.595 22.212 15.145 1.00 34.30 ? 2226 HOH A O 1 HETATM 3594 O O . HOH L 5 . ? -35.768 23.174 17.544 1.00 52.09 ? 2227 HOH A O 1 HETATM 3595 O O . HOH L 5 . ? -43.278 24.815 14.113 1.00 25.95 ? 2228 HOH A O 1 HETATM 3596 O O . HOH L 5 . ? -35.817 33.360 5.925 1.00 39.42 ? 2229 HOH A O 1 HETATM 3597 O O . HOH L 5 . ? -34.422 -2.491 11.296 1.00 15.30 ? 2230 HOH A O 1 HETATM 3598 O O . HOH L 5 . ? -34.732 -0.788 9.188 1.00 15.08 ? 2231 HOH A O 1 HETATM 3599 O O . HOH L 5 . ? -52.455 33.979 2.068 1.00 36.58 ? 2232 HOH A O 1 HETATM 3600 O O . HOH L 5 . ? -32.266 0.496 5.125 1.00 11.46 ? 2233 HOH A O 1 HETATM 3601 O O . HOH L 5 . ? -29.275 0.879 3.934 1.00 10.32 ? 2234 HOH A O 1 HETATM 3602 O O . HOH L 5 . ? -22.412 -0.251 7.172 1.00 7.03 ? 2235 HOH A O 1 HETATM 3603 O O . HOH L 5 . ? -60.641 31.556 11.632 1.00 32.85 ? 2236 HOH A O 1 HETATM 3604 O O . HOH L 5 . ? -58.746 33.900 11.231 1.00 40.11 ? 2237 HOH A O 1 HETATM 3605 O O . HOH L 5 . ? -60.614 32.649 0.208 1.00 31.10 ? 2238 HOH A O 1 HETATM 3606 O O . HOH L 5 . ? -57.724 35.142 0.015 1.00 58.52 ? 2239 HOH A O 1 HETATM 3607 O O . HOH L 5 . ? -56.853 33.486 13.796 1.00 43.85 ? 2240 HOH A O 1 HETATM 3608 O O . HOH L 5 . ? -51.035 42.058 5.956 1.00 38.25 ? 2241 HOH A O 1 HETATM 3609 O O . HOH L 5 . ? -46.316 44.038 11.916 1.00 39.64 ? 2242 HOH A O 1 HETATM 3610 O O . HOH L 5 . ? -42.780 42.208 10.903 1.00 65.71 ? 2243 HOH A O 1 HETATM 3611 O O . HOH L 5 . ? -37.458 -4.330 12.028 1.00 37.69 ? 2244 HOH A O 1 HETATM 3612 O O . HOH L 5 . ? -38.291 -10.367 8.840 1.00 34.60 ? 2245 HOH A O 1 HETATM 3613 O O . HOH L 5 . ? -37.949 -6.165 7.868 1.00 52.59 ? 2246 HOH A O 1 HETATM 3614 O O . HOH L 5 . ? -34.053 -6.005 6.664 1.00 23.64 ? 2247 HOH A O 1 HETATM 3615 O O . HOH L 5 . ? -44.762 44.960 1.298 1.00 54.12 ? 2248 HOH A O 1 HETATM 3616 O O . HOH L 5 . ? -36.463 39.052 9.406 1.00 35.28 ? 2249 HOH A O 1 HETATM 3617 O O . HOH L 5 . ? -39.406 -10.663 12.064 1.00 18.45 ? 2250 HOH A O 1 HETATM 3618 O O . HOH L 5 . ? -41.638 -10.628 13.668 1.00 51.58 ? 2251 HOH A O 1 HETATM 3619 O O . HOH L 5 . ? -38.771 -11.568 20.096 1.00 55.11 ? 2252 HOH A O 1 HETATM 3620 O O . HOH L 5 . ? -38.765 -15.000 15.134 1.00 38.87 ? 2253 HOH A O 1 HETATM 3621 O O . HOH L 5 . ? -33.225 28.913 19.850 1.00 34.04 ? 2254 HOH A O 1 HETATM 3622 O O . HOH L 5 . ? -31.733 26.903 20.566 1.00 32.10 ? 2255 HOH A O 1 HETATM 3623 O O . HOH L 5 . ? -34.857 35.960 21.633 1.00 33.95 ? 2256 HOH A O 1 HETATM 3624 O O . HOH L 5 . ? -30.307 36.395 19.597 1.00 59.28 ? 2257 HOH A O 1 HETATM 3625 O O . HOH L 5 . ? -43.654 42.856 16.981 1.00 39.36 ? 2258 HOH A O 1 HETATM 3626 O O . HOH L 5 . ? -41.103 44.108 13.930 1.00 49.24 ? 2259 HOH A O 1 HETATM 3627 O O . HOH L 5 . ? -33.325 -10.800 21.044 1.00 22.41 ? 2260 HOH A O 1 HETATM 3628 O O . HOH L 5 . ? -31.425 -11.210 20.290 1.00 30.22 ? 2261 HOH A O 1 HETATM 3629 O O . HOH L 5 . ? -46.372 36.318 23.497 1.00 13.47 ? 2262 HOH A O 1 HETATM 3630 O O . HOH L 5 . ? -38.123 44.219 19.449 1.00 41.38 ? 2263 HOH A O 1 HETATM 3631 O O . HOH L 5 . ? -30.503 -12.834 18.387 1.00 18.05 ? 2264 HOH A O 1 HETATM 3632 O O . HOH L 5 . ? -51.596 37.364 22.911 1.00 15.49 ? 2265 HOH A O 1 HETATM 3633 O O . HOH L 5 . ? -53.133 39.499 22.236 1.00 11.92 ? 2266 HOH A O 1 HETATM 3634 O O . HOH L 5 . ? -32.261 -15.426 14.358 1.00 41.40 ? 2267 HOH A O 1 HETATM 3635 O O . HOH L 5 . ? -34.815 -16.717 12.112 1.00 41.53 ? 2268 HOH A O 1 HETATM 3636 O O . HOH L 5 . ? -54.098 29.208 18.604 1.00 33.97 ? 2269 HOH A O 1 HETATM 3637 O O . HOH L 5 . ? -54.302 31.089 22.575 1.00 44.75 ? 2270 HOH A O 1 HETATM 3638 O O . HOH L 5 . ? -54.000 34.277 23.848 1.00 29.70 ? 2271 HOH A O 1 HETATM 3639 O O . HOH L 5 . ? -55.585 28.007 14.636 1.00 73.91 ? 2272 HOH A O 1 HETATM 3640 O O . HOH L 5 . ? -44.901 26.031 20.673 1.00 29.71 ? 2273 HOH A O 1 HETATM 3641 O O . HOH L 5 . ? -31.784 -5.959 5.373 1.00 25.46 ? 2274 HOH A O 1 HETATM 3642 O O . HOH L 5 . ? -33.318 -14.527 4.560 1.00 61.03 ? 2275 HOH A O 1 HETATM 3643 O O . HOH L 5 . ? -31.633 -14.978 6.261 1.00 36.38 ? 2276 HOH A O 1 HETATM 3644 O O . HOH L 5 . ? -30.202 -13.793 4.338 1.00 5.40 ? 2277 HOH A O 1 HETATM 3645 O O . HOH L 5 . ? -30.107 -11.988 5.316 1.00 17.51 ? 2278 HOH A O 1 HETATM 3646 O O . HOH L 5 . ? -35.584 -12.004 4.808 1.00 37.15 ? 2279 HOH A O 1 HETATM 3647 O O . HOH L 5 . ? -50.762 24.634 21.744 1.00 54.24 ? 2280 HOH A O 1 HETATM 3648 O O . HOH L 5 . ? -57.052 26.979 17.097 1.00 46.73 ? 2281 HOH A O 1 HETATM 3649 O O . HOH L 5 . ? -57.274 26.736 13.023 1.00 16.24 ? 2282 HOH A O 1 HETATM 3650 O O . HOH L 5 . ? -42.643 22.335 15.373 1.00 33.09 ? 2283 HOH A O 1 HETATM 3651 O O . HOH L 5 . ? -32.697 -6.328 3.328 1.00 39.76 ? 2284 HOH A O 1 HETATM 3652 O O . HOH L 5 . ? -29.811 -9.778 2.041 1.00 39.50 ? 2285 HOH A O 1 HETATM 3653 O O . HOH L 5 . ? -57.967 19.820 15.649 1.00 39.08 ? 2286 HOH A O 1 HETATM 3654 O O . HOH L 5 . ? -52.645 19.633 22.485 1.00 39.58 ? 2287 HOH A O 1 HETATM 3655 O O . HOH L 5 . ? -31.751 -1.700 3.184 1.00 11.53 ? 2288 HOH A O 1 HETATM 3656 O O . HOH L 5 . ? -41.273 14.891 18.465 1.00 49.44 ? 2289 HOH A O 1 HETATM 3657 O O . HOH L 5 . ? -47.926 13.407 20.722 1.00 39.81 ? 2290 HOH A O 1 HETATM 3658 O O . HOH L 5 . ? -57.018 13.674 16.064 1.00 39.84 ? 2291 HOH A O 1 HETATM 3659 O O . HOH L 5 . ? -58.230 15.176 19.615 1.00 59.67 ? 2292 HOH A O 1 HETATM 3660 O O . HOH L 5 . ? -25.268 -5.582 -2.483 1.00 21.41 ? 2293 HOH A O 1 HETATM 3661 O O . HOH L 5 . ? -26.195 -2.549 -4.514 1.00 38.70 ? 2294 HOH A O 1 HETATM 3662 O O . HOH L 5 . ? -39.515 7.884 9.922 1.00 54.59 ? 2295 HOH A O 1 HETATM 3663 O O . HOH L 5 . ? -38.429 7.541 13.138 1.00 56.76 ? 2296 HOH A O 1 HETATM 3664 O O . HOH L 5 . ? -28.092 2.629 2.085 1.00 8.00 ? 2297 HOH A O 1 HETATM 3665 O O . HOH L 5 . ? -34.647 -0.957 -4.678 1.00 34.12 ? 2298 HOH A O 1 HETATM 3666 O O . HOH L 5 . ? -30.755 -2.848 -6.051 1.00 54.22 ? 2299 HOH A O 1 HETATM 3667 O O . HOH L 5 . ? -34.905 13.304 19.403 1.00 46.73 ? 2300 HOH A O 1 HETATM 3668 O O . HOH L 5 . ? -43.592 9.354 0.583 1.00 41.56 ? 2301 HOH A O 1 HETATM 3669 O O . HOH L 5 . ? -43.145 3.873 9.180 1.00 42.79 ? 2302 HOH A O 1 HETATM 3670 O O . HOH L 5 . ? -31.380 -6.922 -3.658 1.00 56.85 ? 2303 HOH A O 1 HETATM 3671 O O . HOH L 5 . ? -33.426 -5.960 -1.337 1.00 37.94 ? 2304 HOH A O 1 HETATM 3672 O O . HOH L 5 . ? -51.016 6.698 7.799 1.00 25.02 ? 2305 HOH A O 1 HETATM 3673 O O . HOH L 5 . ? -48.302 3.639 4.925 1.00 44.32 ? 2306 HOH A O 1 HETATM 3674 O O . HOH L 5 . ? -42.426 4.709 5.178 1.00 30.47 ? 2307 HOH A O 1 HETATM 3675 O O . HOH L 5 . ? -44.841 2.353 -0.009 0.50 57.16 ? 2308 HOH A O 1 HETATM 3676 O O . HOH L 5 . ? -45.309 2.279 12.764 1.00 43.70 ? 2309 HOH A O 1 HETATM 3677 O O . HOH L 5 . ? -46.244 0.168 9.117 1.00 53.93 ? 2310 HOH A O 1 HETATM 3678 O O . HOH L 5 . ? -50.575 0.193 17.272 1.00 42.07 ? 2311 HOH A O 1 HETATM 3679 O O . HOH L 5 . ? -54.836 0.097 18.398 1.00 63.31 ? 2312 HOH A O 1 HETATM 3680 O O . HOH L 5 . ? -60.696 8.498 18.522 1.00 42.75 ? 2313 HOH A O 1 HETATM 3681 O O . HOH L 5 . ? -59.569 5.625 19.964 1.00 45.16 ? 2314 HOH A O 1 HETATM 3682 O O . HOH L 5 . ? -59.108 10.446 18.179 1.00 68.74 ? 2315 HOH A O 1 HETATM 3683 O O . HOH L 5 . ? -18.688 -3.693 -2.501 1.00 26.92 ? 2316 HOH A O 1 HETATM 3684 O O . HOH L 5 . ? -14.564 2.685 -1.371 1.00 17.61 ? 2317 HOH A O 1 HETATM 3685 O O . HOH L 5 . ? -21.704 12.665 19.540 1.00 11.74 ? 2318 HOH A O 1 HETATM 3686 O O . HOH L 5 . ? -18.552 12.832 22.915 1.00 13.21 ? 2319 HOH A O 1 HETATM 3687 O O . HOH L 5 . ? -18.579 12.168 25.473 1.00 9.28 ? 2320 HOH A O 1 HETATM 3688 O O . HOH L 5 . ? -22.928 12.815 28.185 1.00 10.53 ? 2321 HOH A O 1 HETATM 3689 O O . HOH L 5 . ? -26.585 4.585 30.182 1.00 17.78 ? 2322 HOH A O 1 HETATM 3690 O O . HOH L 5 . ? -28.564 2.694 27.590 1.00 12.10 ? 2323 HOH A O 1 HETATM 3691 O O . HOH L 5 . ? -29.065 5.589 25.542 1.00 14.71 ? 2324 HOH A O 1 HETATM 3692 O O . HOH L 5 . ? -25.405 0.746 29.281 1.00 11.74 ? 2325 HOH A O 1 HETATM 3693 O O . HOH L 5 . ? -24.266 3.019 30.213 1.00 13.87 ? 2326 HOH A O 1 HETATM 3694 O O . HOH L 5 . ? -14.512 -0.593 29.536 1.00 22.73 ? 2327 HOH A O 1 HETATM 3695 O O . HOH L 5 . ? -35.755 10.982 23.483 1.00 36.94 ? 2328 HOH A O 1 HETATM 3696 O O . HOH L 5 . ? -17.942 -1.069 33.954 1.00 33.04 ? 2329 HOH A O 1 HETATM 3697 O O . HOH L 5 . ? -16.037 -2.681 33.575 1.00 54.14 ? 2330 HOH A O 1 HETATM 3698 O O . HOH L 5 . ? -20.033 3.861 35.535 1.00 23.60 ? 2331 HOH A O 1 HETATM 3699 O O . HOH L 5 . ? -18.382 11.830 33.206 1.00 18.92 ? 2332 HOH A O 1 HETATM 3700 O O . HOH L 5 . ? -47.211 3.623 21.496 1.00 44.64 ? 2333 HOH A O 1 HETATM 3701 O O . HOH L 5 . ? -46.302 0.366 22.579 1.00 49.95 ? 2334 HOH A O 1 HETATM 3702 O O . HOH L 5 . ? -19.367 6.695 40.652 1.00 63.18 ? 2335 HOH A O 1 HETATM 3703 O O . HOH L 5 . ? -16.271 2.424 36.355 1.00 41.89 ? 2336 HOH A O 1 HETATM 3704 O O . HOH L 5 . ? -10.160 3.825 33.724 1.00 26.05 ? 2337 HOH A O 1 HETATM 3705 O O . HOH L 5 . ? -43.449 -4.587 22.607 1.00 40.35 ? 2338 HOH A O 1 HETATM 3706 O O . HOH L 5 . ? -39.302 -4.393 24.882 1.00 50.57 ? 2339 HOH A O 1 HETATM 3707 O O . HOH L 5 . ? -20.057 9.251 40.559 1.00 29.90 ? 2340 HOH A O 1 HETATM 3708 O O . HOH L 5 . ? -17.428 14.623 35.724 1.00 29.25 ? 2341 HOH A O 1 HETATM 3709 O O . HOH L 5 . ? -35.188 -6.637 26.490 1.00 33.17 ? 2342 HOH A O 1 HETATM 3710 O O . HOH L 5 . ? -34.750 -4.514 28.673 1.00 46.79 ? 2343 HOH A O 1 HETATM 3711 O O . HOH L 5 . ? -37.146 -10.023 25.460 1.00 38.30 ? 2344 HOH A O 1 HETATM 3712 O O . HOH L 5 . ? -33.296 -10.688 26.486 1.00 32.99 ? 2345 HOH A O 1 HETATM 3713 O O . HOH L 5 . ? -25.829 12.446 34.642 1.00 17.91 ? 2346 HOH A O 1 HETATM 3714 O O . HOH L 5 . ? -24.555 2.108 36.553 1.00 33.82 ? 2347 HOH A O 1 HETATM 3715 O O . HOH L 5 . ? -22.532 2.744 34.500 1.00 23.25 ? 2348 HOH A O 1 HETATM 3716 O O . HOH L 5 . ? -19.863 3.697 39.959 1.00 70.34 ? 2349 HOH A O 1 HETATM 3717 O O . HOH L 5 . ? -33.565 -6.622 29.395 1.00 30.23 ? 2350 HOH A O 1 HETATM 3718 O O . HOH L 5 . ? -32.482 -11.402 30.415 1.00 46.70 ? 2351 HOH A O 1 HETATM 3719 O O . HOH L 5 . ? -30.542 -9.776 31.024 1.00 48.23 ? 2352 HOH A O 1 HETATM 3720 O O . HOH L 5 . ? -30.235 -4.937 32.039 1.00 37.37 ? 2353 HOH A O 1 HETATM 3721 O O . HOH L 5 . ? -30.556 -16.989 23.765 1.00 49.42 ? 2354 HOH A O 1 HETATM 3722 O O . HOH L 5 . ? -30.892 -15.248 27.818 1.00 40.73 ? 2355 HOH A O 1 HETATM 3723 O O . HOH L 5 . ? -33.139 -14.948 21.180 1.00 37.92 ? 2356 HOH A O 1 HETATM 3724 O O . HOH L 5 . ? -27.027 -16.650 21.076 1.00 30.33 ? 2357 HOH A O 1 HETATM 3725 O O . HOH L 5 . ? -34.963 -13.085 30.237 1.00 53.24 ? 2358 HOH A O 1 HETATM 3726 O O . HOH L 5 . ? -20.263 14.593 31.177 1.00 21.01 ? 2359 HOH A O 1 HETATM 3727 O O . HOH L 5 . ? -22.150 -16.296 25.120 1.00 48.59 ? 2360 HOH A O 1 HETATM 3728 O O . HOH L 5 . ? -31.259 -19.218 25.998 1.00 43.69 ? 2361 HOH A O 1 HETATM 3729 O O . HOH L 5 . ? -23.425 15.248 34.959 1.00 19.85 ? 2362 HOH A O 1 HETATM 3730 O O . HOH L 5 . ? -26.029 15.928 28.884 1.00 11.79 ? 2363 HOH A O 1 HETATM 3731 O O . HOH L 5 . ? -23.875 4.314 32.681 1.00 16.13 ? 2364 HOH A O 1 HETATM 3732 O O . HOH L 5 . ? -28.506 -11.350 31.963 1.00 54.39 ? 2365 HOH A O 1 HETATM 3733 O O . HOH L 5 . ? -25.660 -10.054 34.295 1.00 45.06 ? 2366 HOH A O 1 HETATM 3734 O O . HOH L 5 . ? -20.155 19.435 31.242 1.00 48.08 ? 2367 HOH A O 1 HETATM 3735 O O . HOH L 5 . ? -12.718 -5.143 28.827 1.00 68.04 ? 2368 HOH A O 1 HETATM 3736 O O . HOH L 5 . ? -24.463 20.458 30.755 1.00 21.19 ? 2369 HOH A O 1 HETATM 3737 O O . HOH L 5 . ? -22.049 21.201 30.424 1.00 27.69 ? 2370 HOH A O 1 HETATM 3738 O O . HOH L 5 . ? -19.265 14.502 26.754 1.00 9.52 ? 2371 HOH A O 1 HETATM 3739 O O . HOH L 5 . ? -15.548 -6.345 31.693 1.00 37.05 ? 2372 HOH A O 1 HETATM 3740 O O . HOH L 5 . ? -25.925 -14.406 30.355 1.00 36.28 ? 2373 HOH A O 1 HETATM 3741 O O . HOH L 5 . ? -23.260 23.263 30.349 1.00 55.21 ? 2374 HOH A O 1 HETATM 3742 O O . HOH L 5 . ? -28.199 -1.247 36.099 1.00 32.63 ? 2375 HOH A O 1 HETATM 3743 O O . HOH L 5 . ? -20.574 -0.240 36.981 1.00 39.85 ? 2376 HOH A O 1 HETATM 3744 O O . HOH L 5 . ? -30.917 0.869 34.423 1.00 51.07 ? 2377 HOH A O 1 HETATM 3745 O O . HOH L 5 . ? -20.258 18.629 19.256 1.00 10.91 ? 2378 HOH A O 1 HETATM 3746 O O . HOH L 5 . ? -14.607 21.464 21.462 1.00 18.92 ? 2379 HOH A O 1 HETATM 3747 O O . HOH L 5 . ? -15.763 22.259 26.710 1.00 28.66 ? 2380 HOH A O 1 HETATM 3748 O O . HOH L 5 . ? -17.952 25.636 26.198 1.00 24.77 ? 2381 HOH A O 1 HETATM 3749 O O . HOH L 5 . ? -32.547 7.612 34.156 1.00 44.48 ? 2382 HOH A O 1 HETATM 3750 O O . HOH L 5 . ? -30.364 6.429 35.391 1.00 40.89 ? 2383 HOH A O 1 HETATM 3751 O O . HOH L 5 . ? -14.076 17.773 30.011 1.00 28.93 ? 2384 HOH A O 1 HETATM 3752 O O . HOH L 5 . ? -32.327 22.649 28.856 1.00 51.12 ? 2385 HOH A O 1 HETATM 3753 O O . HOH L 5 . ? -31.566 19.236 34.585 1.00 33.45 ? 2386 HOH A O 1 HETATM 3754 O O . HOH L 5 . ? -29.672 21.918 35.342 1.00 35.98 ? 2387 HOH A O 1 HETATM 3755 O O . HOH L 5 . ? -36.226 17.986 28.503 1.00 62.31 ? 2388 HOH A O 1 HETATM 3756 O O . HOH L 5 . ? -28.553 22.775 31.125 1.00 37.21 ? 2389 HOH A O 1 HETATM 3757 O O . HOH L 5 . ? -28.041 19.775 33.889 1.00 42.50 ? 2390 HOH A O 1 HETATM 3758 O O . HOH L 5 . ? -30.941 26.048 24.260 1.00 44.42 ? 2391 HOH A O 1 HETATM 3759 O O . HOH L 5 . ? -18.983 16.291 18.164 1.00 8.65 ? 2392 HOH A O 1 HETATM 3760 O O . HOH L 5 . ? -36.762 23.115 25.183 1.00 78.07 ? 2393 HOH A O 1 HETATM 3761 O O . HOH L 5 . ? -33.974 23.781 21.362 1.00 48.00 ? 2394 HOH A O 1 HETATM 3762 O O . HOH L 5 . ? -21.365 28.994 25.208 1.00 37.79 ? 2395 HOH A O 1 HETATM 3763 O O . HOH L 5 . ? -12.078 21.500 22.192 1.00 21.56 ? 2396 HOH A O 1 HETATM 3764 O O . HOH L 5 . ? -8.428 19.837 20.639 1.00 35.63 ? 2397 HOH A O 1 HETATM 3765 O O . HOH L 5 . ? -6.955 17.629 22.558 1.00 35.49 ? 2398 HOH A O 1 HETATM 3766 O O . HOH L 5 . ? -17.640 29.588 18.530 1.00 45.02 ? 2399 HOH A O 1 HETATM 3767 O O . HOH L 5 . ? -13.698 25.930 20.590 1.00 39.35 ? 2400 HOH A O 1 HETATM 3768 O O . HOH L 5 . ? -29.799 26.882 21.381 1.00 24.47 ? 2401 HOH A O 1 HETATM 3769 O O . HOH L 5 . ? -19.003 35.392 5.725 1.00 43.25 ? 2402 HOH A O 1 HETATM 3770 O O . HOH L 5 . ? -17.718 34.774 8.289 1.00 49.86 ? 2403 HOH A O 1 HETATM 3771 O O . HOH L 5 . ? -24.466 34.985 6.650 1.00 60.27 ? 2404 HOH A O 1 HETATM 3772 O O . HOH L 5 . ? -17.190 33.219 10.458 1.00 40.36 ? 2405 HOH A O 1 HETATM 3773 O O . HOH L 5 . ? -15.254 33.061 8.714 1.00 57.74 ? 2406 HOH A O 1 HETATM 3774 O O . HOH L 5 . ? -20.521 32.440 18.980 1.00 45.08 ? 2407 HOH A O 1 HETATM 3775 O O . HOH L 5 . ? -15.976 34.038 5.742 1.00 56.81 ? 2408 HOH A O 1 HETATM 3776 O O . HOH L 5 . ? -24.978 36.032 13.308 1.00 45.23 ? 2409 HOH A O 1 HETATM 3777 O O . HOH L 5 . ? -14.757 32.514 3.845 1.00 50.37 ? 2410 HOH A O 1 HETATM 3778 O O . HOH L 5 . ? -12.174 32.030 3.484 1.00 44.47 ? 2411 HOH A O 1 HETATM 3779 O O . HOH L 5 . ? -7.831 29.525 -1.435 1.00 48.34 ? 2412 HOH A O 1 HETATM 3780 O O . HOH L 5 . ? -8.143 31.289 4.976 1.00 62.11 ? 2413 HOH A O 1 HETATM 3781 O O . HOH L 5 . ? -6.625 10.937 22.974 1.00 21.37 ? 2414 HOH A O 1 HETATM 3782 O O . HOH L 5 . ? -9.559 16.451 27.587 1.00 32.23 ? 2415 HOH A O 1 HETATM 3783 O O . HOH L 5 . ? -8.128 13.259 28.590 1.00 34.48 ? 2416 HOH A O 1 HETATM 3784 O O . HOH L 5 . ? -6.091 12.177 25.526 1.00 35.10 ? 2417 HOH A O 1 HETATM 3785 O O . HOH L 5 . ? -5.184 21.625 -4.030 1.00 48.80 ? 2418 HOH A O 1 HETATM 3786 O O . HOH L 5 . ? -3.991 8.591 17.597 1.00 11.87 ? 2419 HOH A O 1 HETATM 3787 O O . HOH L 5 . ? -6.210 15.196 22.540 1.00 23.60 ? 2420 HOH A O 1 HETATM 3788 O O . HOH L 5 . ? -2.959 16.080 20.796 1.00 33.99 ? 2421 HOH A O 1 HETATM 3789 O O . HOH L 5 . ? -7.654 2.848 24.682 1.00 36.97 ? 2422 HOH A O 1 HETATM 3790 O O . HOH L 5 . ? -4.111 4.001 24.054 0.50 19.61 ? 2423 HOH A O 1 HETATM 3791 O O . HOH L 5 . ? -2.666 -1.059 19.650 1.00 50.35 ? 2424 HOH A O 1 HETATM 3792 O O . HOH L 5 . ? -0.957 2.301 18.493 1.00 27.27 ? 2425 HOH A O 1 HETATM 3793 O O . HOH L 5 . ? -2.729 9.253 19.919 1.00 23.17 ? 2426 HOH A O 1 HETATM 3794 O O . HOH L 5 . ? -27.804 34.699 2.479 1.00 41.50 ? 2427 HOH A O 1 HETATM 3795 O O . HOH L 5 . ? -25.135 36.257 -0.568 1.00 46.70 ? 2428 HOH A O 1 HETATM 3796 O O . HOH L 5 . ? -0.936 2.414 8.974 1.00 44.72 ? 2429 HOH A O 1 HETATM 3797 O O . HOH L 5 . ? -19.421 39.270 -1.873 1.00 51.87 ? 2430 HOH A O 1 HETATM 3798 O O . HOH L 5 . ? -15.455 31.451 -1.609 1.00 29.18 ? 2431 HOH A O 1 HETATM 3799 O O . HOH L 5 . ? -23.222 37.720 5.160 1.00 49.37 ? 2432 HOH A O 1 HETATM 3800 O O . HOH L 5 . ? -15.614 36.016 2.317 1.00 51.65 ? 2433 HOH A O 1 HETATM 3801 O O . HOH L 5 . ? -0.967 -2.037 11.750 1.00 57.54 ? 2434 HOH A O 1 HETATM 3802 O O . HOH L 5 . ? -0.757 0.095 7.572 1.00 57.00 ? 2435 HOH A O 1 HETATM 3803 O O . HOH L 5 . ? -3.133 3.389 7.176 1.00 28.96 ? 2436 HOH A O 1 HETATM 3804 O O . HOH L 5 . ? -5.124 -6.303 10.679 1.00 37.04 ? 2437 HOH A O 1 HETATM 3805 O O . HOH L 5 . ? -18.420 23.123 -11.465 1.00 37.11 ? 2438 HOH A O 1 HETATM 3806 O O . HOH L 5 . ? -24.977 27.811 -14.769 1.00 68.73 ? 2439 HOH A O 1 HETATM 3807 O O . HOH L 5 . ? -18.092 25.369 -12.235 1.00 45.15 ? 2440 HOH A O 1 HETATM 3808 O O . HOH L 5 . ? -29.453 28.802 -12.042 1.00 57.76 ? 2441 HOH A O 1 HETATM 3809 O O . HOH L 5 . ? -8.134 7.275 8.553 1.00 16.97 ? 2442 HOH A O 1 HETATM 3810 O O . HOH L 5 . ? -30.234 14.365 -16.285 1.00 50.27 ? 2443 HOH A O 1 HETATM 3811 O O . HOH L 5 . ? -6.619 9.289 9.054 1.00 18.43 ? 2444 HOH A O 1 HETATM 3812 O O . HOH L 5 . ? -2.460 10.367 7.405 1.00 40.39 ? 2445 HOH A O 1 HETATM 3813 O O . HOH L 5 . ? -5.107 8.964 11.952 1.00 25.66 ? 2446 HOH A O 1 HETATM 3814 O O . HOH L 5 . ? -0.390 4.619 17.469 1.00 26.29 ? 2447 HOH A O 1 HETATM 3815 O O . HOH L 5 . ? -26.266 3.139 -12.616 1.00 44.27 ? 2448 HOH A O 1 HETATM 3816 O O . HOH L 5 . ? -4.840 6.385 1.725 1.00 37.17 ? 2449 HOH A O 1 HETATM 3817 O O . HOH L 5 . ? -1.301 9.791 10.276 1.00 31.15 ? 2450 HOH A O 1 HETATM 3818 O O . HOH L 5 . ? -24.678 3.701 -9.753 1.00 49.80 ? 2451 HOH A O 1 HETATM 3819 O O . HOH L 5 . ? -27.170 0.491 -11.973 1.00 51.11 ? 2452 HOH A O 1 HETATM 3820 O O . HOH L 5 . ? -34.488 -3.533 -17.554 1.00 47.97 ? 2453 HOH A O 1 HETATM 3821 O O . HOH L 5 . ? -35.747 -5.490 -14.988 1.00 43.99 ? 2454 HOH A O 1 HETATM 3822 O O . HOH L 5 . ? -24.077 0.894 -10.945 1.00 57.84 ? 2455 HOH A O 1 HETATM 3823 O O . HOH L 5 . ? -31.854 1.925 -17.252 1.00 39.87 ? 2456 HOH A O 1 HETATM 3824 O O . HOH L 5 . ? -27.904 3.504 -20.766 1.00 62.62 ? 2457 HOH A O 1 HETATM 3825 O O . HOH L 5 . ? -7.026 7.931 -4.228 1.00 52.39 ? 2458 HOH A O 1 HETATM 3826 O O . HOH L 5 . ? -6.183 10.796 -3.109 1.00 70.57 ? 2459 HOH A O 1 HETATM 3827 O O . HOH L 5 . ? -5.507 7.745 -0.234 1.00 46.55 ? 2460 HOH A O 1 HETATM 3828 O O . HOH L 5 . ? -18.723 16.548 -9.316 1.00 30.48 ? 2461 HOH A O 1 HETATM 3829 O O . HOH L 5 . ? -29.265 9.901 7.171 1.00 11.46 ? 2462 HOH A O 1 HETATM 3830 O O . HOH L 5 . ? -32.143 18.355 14.931 1.00 38.85 ? 2463 HOH A O 1 HETATM 3831 O O . HOH L 5 . ? -27.479 23.551 19.405 1.00 11.86 ? 2464 HOH A O 1 HETATM 3832 O O . HOH L 5 . ? -38.000 0.270 1.912 1.00 49.89 ? 2465 HOH A O 1 HETATM 3833 O O . HOH L 5 . ? -36.145 -1.657 2.844 1.00 42.45 ? 2466 HOH A O 1 HETATM 3834 O O . HOH L 5 . ? -24.813 20.572 9.679 1.00 7.47 ? 2467 HOH A O 1 HETATM 3835 O O . HOH L 5 . ? -37.727 4.474 9.876 1.00 78.62 ? 2468 HOH A O 1 HETATM 3836 O O . HOH L 5 . ? -38.044 3.759 -7.667 1.00 43.82 ? 2469 HOH A O 1 HETATM 3837 O O . HOH L 5 . ? -22.204 -0.301 -7.089 1.00 48.77 ? 2470 HOH A O 1 HETATM 3838 O O . HOH L 5 . ? -16.905 5.413 -8.605 1.00 37.28 ? 2471 HOH A O 1 HETATM 3839 O O . HOH L 5 . ? -20.627 2.476 -8.476 1.00 48.36 ? 2472 HOH A O 1 HETATM 3840 O O . HOH L 5 . ? -20.345 -0.213 -5.214 1.00 38.48 ? 2473 HOH A O 1 HETATM 3841 O O . HOH L 5 . ? -17.125 2.630 -7.737 1.00 50.80 ? 2474 HOH A O 1 HETATM 3842 O O . HOH L 5 . ? -15.023 22.889 16.977 1.00 14.27 ? 2475 HOH A O 1 HETATM 3843 O O . HOH L 5 . ? -13.430 16.545 -9.431 1.00 34.93 ? 2476 HOH A O 1 HETATM 3844 O O . HOH L 5 . ? -15.673 17.010 -7.123 1.00 60.32 ? 2477 HOH A O 1 HETATM 3845 O O . HOH L 5 . ? -7.196 19.247 17.516 1.00 32.80 ? 2478 HOH A O 1 HETATM 3846 O O . HOH L 5 . ? -6.985 16.411 9.535 1.00 15.29 ? 2479 HOH A O 1 HETATM 3847 O O . HOH L 5 . ? -4.256 19.261 9.681 1.00 31.58 ? 2480 HOH A O 1 HETATM 3848 O O . HOH L 5 . ? -6.187 23.966 10.910 1.00 40.56 ? 2481 HOH A O 1 HETATM 3849 O O . HOH L 5 . ? -4.726 18.692 17.163 1.00 48.11 ? 2482 HOH A O 1 HETATM 3850 O O . HOH L 5 . ? -9.847 24.334 18.223 1.00 41.33 ? 2483 HOH A O 1 HETATM 3851 O O . HOH L 5 . ? -10.176 26.476 14.502 1.00 79.93 ? 2484 HOH A O 1 HETATM 3852 O O . HOH L 5 . ? -0.488 13.501 15.714 1.00 52.61 ? 2485 HOH A O 1 HETATM 3853 O O . HOH L 5 . ? -0.541 15.906 14.851 1.00 52.82 ? 2486 HOH A O 1 HETATM 3854 O O . HOH L 5 . ? -3.053 12.894 16.368 1.00 22.69 ? 2487 HOH A O 1 HETATM 3855 O O . HOH L 5 . ? -3.253 16.786 17.630 1.00 40.56 ? 2488 HOH A O 1 HETATM 3856 O O . HOH L 5 . ? -2.988 15.512 6.717 1.00 43.06 ? 2489 HOH A O 1 HETATM 3857 O O . HOH L 5 . ? 1.708 14.224 10.662 1.00 44.88 ? 2490 HOH A O 1 HETATM 3858 O O . HOH L 5 . ? -3.688 9.599 13.938 1.00 51.83 ? 2491 HOH A O 1 HETATM 3859 O O . HOH L 5 . ? -4.431 14.544 4.757 1.00 35.14 ? 2492 HOH A O 1 HETATM 3860 O O . HOH L 5 . ? -5.364 10.130 0.947 1.00 21.86 ? 2493 HOH A O 1 HETATM 3861 O O . HOH L 5 . ? -6.526 15.993 4.966 1.00 16.73 ? 2494 HOH A O 1 HETATM 3862 O O . HOH L 5 . ? -13.237 13.886 -1.158 1.00 36.82 ? 2495 HOH A O 1 HETATM 3863 O O . HOH L 5 . ? -11.305 15.226 -0.353 1.00 29.58 ? 2496 HOH A O 1 HETATM 3864 O O . HOH L 5 . ? -9.409 14.867 -2.785 1.00 62.58 ? 2497 HOH A O 1 HETATM 3865 O O . HOH L 5 . ? -7.868 16.761 0.691 1.00 23.73 ? 2498 HOH A O 1 HETATM 3866 O O . HOH L 5 . ? -21.560 17.859 6.443 1.00 37.15 ? 2499 HOH A O 1 HETATM 3867 O O . HOH L 5 . ? -28.519 17.889 6.026 1.00 11.92 ? 2500 HOH A O 1 HETATM 3868 O O . HOH L 5 . ? -31.330 11.768 7.016 1.00 9.22 ? 2501 HOH A O 1 HETATM 3869 O O . HOH L 5 . ? -31.487 22.906 10.874 1.00 20.37 ? 2502 HOH A O 1 HETATM 3870 O O . HOH L 5 . ? -27.728 20.362 7.950 1.00 33.12 ? 2503 HOH A O 1 HETATM 3871 O O . HOH L 5 . ? -30.897 24.787 8.697 1.00 23.74 ? 2504 HOH A O 1 HETATM 3872 O O . HOH L 5 . ? -30.271 30.033 14.229 1.00 15.15 ? 2505 HOH A O 1 HETATM 3873 O O . HOH L 5 . ? -27.663 30.533 10.063 1.00 16.69 ? 2506 HOH A O 1 HETATM 3874 O O . HOH L 5 . ? -29.009 31.168 11.525 1.00 31.84 ? 2507 HOH A O 1 HETATM 3875 O O . HOH L 5 . ? -31.739 20.875 19.791 1.00 23.52 ? 2508 HOH A O 1 HETATM 3876 O O . HOH L 5 . ? -30.261 32.827 9.473 1.00 26.16 ? 2509 HOH A O 1 HETATM 3877 O O . HOH L 5 . ? -29.585 32.234 13.465 1.00 30.71 ? 2510 HOH A O 1 HETATM 3878 O O . HOH L 5 . ? -36.014 34.888 11.259 1.00 13.90 ? 2511 HOH A O 1 HETATM 3879 O O . HOH L 5 . ? -32.702 37.148 9.836 1.00 25.89 ? 2512 HOH A O 1 HETATM 3880 O O . HOH L 5 . ? -35.033 37.808 12.761 1.00 5.04 ? 2513 HOH A O 1 HETATM 3881 O O . HOH L 5 . ? -32.771 32.235 4.183 1.00 36.35 ? 2514 HOH A O 1 HETATM 3882 O O . HOH L 5 . ? -27.474 30.611 6.975 1.00 29.79 ? 2515 HOH A O 1 HETATM 3883 O O . HOH L 5 . ? -29.346 34.170 4.893 1.00 43.39 ? 2516 HOH A O 1 HETATM 3884 O O . HOH L 5 . ? -38.010 21.039 13.867 1.00 24.66 ? 2517 HOH A O 1 HETATM 3885 O O . HOH L 5 . ? -34.821 24.001 14.839 1.00 23.95 ? 2518 HOH A O 1 HETATM 3886 O O . HOH L 5 . ? -37.872 21.105 10.099 1.00 8.25 ? 2519 HOH A O 1 HETATM 3887 O O . HOH L 5 . ? -33.926 22.177 8.304 1.00 11.06 ? 2520 HOH A O 1 HETATM 3888 O O . HOH L 5 . ? -40.989 26.294 13.192 1.00 23.76 ? 2521 HOH A O 1 HETATM 3889 O O . HOH L 5 . ? -35.767 26.831 17.657 1.00 26.60 ? 2522 HOH A O 1 HETATM 3890 O O . HOH L 5 . ? -38.153 29.666 17.859 1.00 35.87 ? 2523 HOH A O 1 HETATM 3891 O O . HOH L 5 . ? -34.313 31.906 7.480 1.00 15.02 ? 2524 HOH A O 1 HETATM 3892 O O . HOH L 5 . ? -40.277 24.797 3.291 1.00 28.65 ? 2525 HOH A O 1 HETATM 3893 O O . HOH L 5 . ? -43.839 34.579 2.641 1.00 20.75 ? 2526 HOH A O 1 HETATM 3894 O O . HOH L 5 . ? -39.576 34.519 4.412 1.00 17.96 ? 2527 HOH A O 1 HETATM 3895 O O . HOH L 5 . ? -52.459 23.878 3.052 1.00 17.72 ? 2528 HOH A O 1 HETATM 3896 O O . HOH L 5 . ? -55.349 26.944 1.886 1.00 29.02 ? 2529 HOH A O 1 HETATM 3897 O O . HOH L 5 . ? -51.673 31.677 -0.124 1.00 43.67 ? 2530 HOH A O 1 HETATM 3898 O O . HOH L 5 . ? -48.098 23.092 -1.995 1.00 15.27 ? 2531 HOH A O 1 HETATM 3899 O O . HOH L 5 . ? -49.694 30.858 -1.302 1.00 29.69 ? 2532 HOH A O 1 HETATM 3900 O O . HOH L 5 . ? -45.234 31.606 0.459 0.50 6.51 ? 2533 HOH A O 1 HETATM 3901 O O . HOH L 5 . ? -48.872 16.537 2.382 1.00 15.77 ? 2534 HOH A O 1 HETATM 3902 O O . HOH L 5 . ? -41.514 17.680 0.186 1.00 11.46 ? 2535 HOH A O 1 HETATM 3903 O O . HOH L 5 . ? -55.136 22.010 9.701 1.00 9.36 ? 2536 HOH A O 1 HETATM 3904 O O . HOH L 5 . ? -56.468 27.370 9.070 1.00 12.18 ? 2537 HOH A O 1 HETATM 3905 O O . HOH L 5 . ? -55.183 25.041 10.298 1.00 9.03 ? 2538 HOH A O 1 HETATM 3906 O O . HOH L 5 . ? -57.938 33.575 4.973 1.00 34.21 ? 2539 HOH A O 1 HETATM 3907 O O . HOH L 5 . ? -54.055 32.163 2.796 1.00 40.82 ? 2540 HOH A O 1 HETATM 3908 O O . HOH L 5 . ? -57.222 28.678 1.226 1.00 60.98 ? 2541 HOH A O 1 HETATM 3909 O O . HOH L 5 . ? -58.744 30.921 1.107 1.00 39.64 ? 2542 HOH A O 1 HETATM 3910 O O . HOH L 5 . ? -57.663 34.895 2.698 1.00 55.74 ? 2543 HOH A O 1 HETATM 3911 O O . HOH L 5 . ? -60.290 31.520 3.793 1.00 28.90 ? 2544 HOH A O 1 HETATM 3912 O O . HOH L 5 . ? -62.066 33.397 10.265 1.00 44.83 ? 2545 HOH A O 1 HETATM 3913 O O . HOH L 5 . ? -57.090 34.318 9.240 1.00 16.79 ? 2546 HOH A O 1 HETATM 3914 O O . HOH L 5 . ? -62.730 36.025 5.038 1.00 24.68 ? 2547 HOH A O 1 HETATM 3915 O O . HOH L 5 . ? -58.439 35.048 6.809 1.00 21.81 ? 2548 HOH A O 1 HETATM 3916 O O . HOH L 5 . ? -56.212 31.421 13.017 1.00 29.03 ? 2549 HOH A O 1 HETATM 3917 O O . HOH L 5 . ? -56.851 29.213 12.826 1.00 39.72 ? 2550 HOH A O 1 HETATM 3918 O O . HOH L 5 . ? -48.645 33.518 0.430 1.00 25.96 ? 2551 HOH A O 1 HETATM 3919 O O . HOH L 5 . ? -52.161 37.689 4.988 1.00 48.16 ? 2552 HOH A O 1 HETATM 3920 O O . HOH L 5 . ? -53.509 36.397 3.099 1.00 42.15 ? 2553 HOH A O 1 HETATM 3921 O O . HOH L 5 . ? -55.571 36.472 13.168 1.00 20.04 ? 2554 HOH A O 1 HETATM 3922 O O . HOH L 5 . ? -47.338 40.777 6.064 1.00 51.35 ? 2555 HOH A O 1 HETATM 3923 O O . HOH L 5 . ? -43.930 37.391 3.179 1.00 42.96 ? 2556 HOH A O 1 HETATM 3924 O O . HOH L 5 . ? -49.696 43.142 8.695 1.00 35.95 ? 2557 HOH A O 1 HETATM 3925 O O . HOH L 5 . ? -46.333 41.553 11.308 1.00 38.02 ? 2558 HOH A O 1 HETATM 3926 O O . HOH L 5 . ? -55.487 38.049 9.194 1.00 56.46 ? 2559 HOH A O 1 HETATM 3927 O O . HOH L 5 . ? -44.023 40.292 12.461 1.00 14.53 ? 2560 HOH A O 1 HETATM 3928 O O . HOH L 5 . ? -41.201 40.158 10.786 1.00 26.55 ? 2561 HOH A O 1 HETATM 3929 O O . HOH L 5 . ? -45.665 39.630 4.228 1.00 49.42 ? 2562 HOH A O 1 HETATM 3930 O O . HOH L 5 . ? -38.994 42.861 -0.319 1.00 45.21 ? 2563 HOH A O 1 HETATM 3931 O O . HOH L 5 . ? -43.446 42.883 -0.521 1.00 57.13 ? 2564 HOH A O 1 HETATM 3932 O O . HOH L 5 . ? -38.175 35.068 2.325 1.00 27.34 ? 2565 HOH A O 1 HETATM 3933 O O . HOH L 5 . ? -43.078 42.538 -3.143 1.00 39.81 ? 2566 HOH A O 1 HETATM 3934 O O . HOH L 5 . ? -40.098 36.251 -1.464 1.00 71.93 ? 2567 HOH A O 1 HETATM 3935 O O . HOH L 5 . ? -39.401 39.869 8.396 1.00 39.40 ? 2568 HOH A O 1 HETATM 3936 O O . HOH L 5 . ? -34.965 39.259 -1.066 1.00 51.76 ? 2569 HOH A O 1 HETATM 3937 O O . HOH L 5 . ? -34.608 40.643 6.805 1.00 58.46 ? 2570 HOH A O 1 HETATM 3938 O O . HOH L 5 . ? -36.459 36.307 9.276 1.00 27.82 ? 2571 HOH A O 1 HETATM 3939 O O . HOH L 5 . ? -38.463 33.096 6.342 1.00 18.63 ? 2572 HOH A O 1 HETATM 3940 O O . HOH L 5 . ? -36.336 36.891 5.624 1.00 73.57 ? 2573 HOH A O 1 HETATM 3941 O O . HOH L 5 . ? -39.179 39.984 13.296 1.00 22.12 ? 2574 HOH A O 1 HETATM 3942 O O . HOH L 5 . ? -36.252 39.568 15.284 1.00 18.13 ? 2575 HOH A O 1 HETATM 3943 O O . HOH L 5 . ? -41.474 28.242 14.726 1.00 24.11 ? 2576 HOH A O 1 HETATM 3944 O O . HOH L 5 . ? -41.025 33.398 16.336 1.00 19.18 ? 2577 HOH A O 1 HETATM 3945 O O . HOH L 5 . ? -31.765 29.172 18.231 1.00 41.64 ? 2578 HOH A O 1 HETATM 3946 O O . HOH L 5 . ? -29.389 33.767 16.122 1.00 49.54 ? 2579 HOH A O 1 HETATM 3947 O O . HOH L 5 . ? -35.849 31.831 19.812 1.00 51.58 ? 2580 HOH A O 1 HETATM 3948 O O . HOH L 5 . ? -37.505 39.060 18.176 1.00 30.01 ? 2581 HOH A O 1 HETATM 3949 O O . HOH L 5 . ? -32.757 35.424 18.812 1.00 33.71 ? 2582 HOH A O 1 HETATM 3950 O O . HOH L 5 . ? -32.413 36.449 14.843 1.00 7.47 ? 2583 HOH A O 1 HETATM 3951 O O . HOH L 5 . ? -38.010 34.688 20.929 1.00 57.85 ? 2584 HOH A O 1 HETATM 3952 O O . HOH L 5 . ? -41.589 33.026 18.451 1.00 45.81 ? 2585 HOH A O 1 HETATM 3953 O O . HOH L 5 . ? -42.734 41.340 14.589 1.00 26.72 ? 2586 HOH A O 1 HETATM 3954 O O . HOH L 5 . ? -40.177 40.632 17.241 1.00 26.00 ? 2587 HOH A O 1 HETATM 3955 O O . HOH L 5 . ? -44.582 41.716 21.744 1.00 23.92 ? 2588 HOH A O 1 HETATM 3956 O O . HOH L 5 . ? -44.251 37.852 22.559 1.00 14.61 ? 2589 HOH A O 1 HETATM 3957 O O . HOH L 5 . ? -37.535 42.857 21.237 1.00 40.63 ? 2590 HOH A O 1 HETATM 3958 O O . HOH L 5 . ? -40.886 43.137 23.297 1.00 36.84 ? 2591 HOH A O 1 HETATM 3959 O O . HOH L 5 . ? -47.746 42.193 18.813 1.00 13.02 ? 2592 HOH A O 1 HETATM 3960 O O . HOH L 5 . ? -46.302 43.576 14.776 1.00 40.52 ? 2593 HOH A O 1 HETATM 3961 O O . HOH L 5 . ? -48.689 35.678 22.204 1.00 17.40 ? 2594 HOH A O 1 HETATM 3962 O O . HOH L 5 . ? -52.550 36.146 20.682 1.00 18.49 ? 2595 HOH A O 1 HETATM 3963 O O . HOH L 5 . ? -55.887 33.760 17.539 1.00 44.12 ? 2596 HOH A O 1 HETATM 3964 O O . HOH L 5 . ? -53.675 38.468 19.624 1.00 26.83 ? 2597 HOH A O 1 HETATM 3965 O O . HOH L 5 . ? -44.648 30.415 19.541 1.00 24.93 ? 2598 HOH A O 1 HETATM 3966 O O . HOH L 5 . ? -51.958 28.788 19.853 1.00 26.74 ? 2599 HOH A O 1 HETATM 3967 O O . HOH L 5 . ? -51.257 32.250 23.025 1.00 23.88 ? 2600 HOH A O 1 HETATM 3968 O O . HOH L 5 . ? -48.802 33.146 23.177 1.00 48.78 ? 2601 HOH A O 1 HETATM 3969 O O . HOH L 5 . ? -53.686 30.425 16.208 1.00 18.31 ? 2602 HOH A O 1 HETATM 3970 O O . HOH L 5 . ? -44.146 26.690 15.506 1.00 41.72 ? 2603 HOH A O 1 HETATM 3971 O O . HOH L 5 . ? -44.191 27.883 19.305 1.00 34.92 ? 2604 HOH A O 1 HETATM 3972 O O . HOH L 5 . ? -48.178 24.415 20.974 1.00 28.19 ? 2605 HOH A O 1 HETATM 3973 O O . HOH L 5 . ? -44.397 29.833 22.312 1.00 32.50 ? 2606 HOH A O 1 HETATM 3974 O O . HOH L 5 . ? -45.436 26.763 23.695 1.00 45.06 ? 2607 HOH A O 1 HETATM 3975 O O . HOH L 5 . ? -56.922 23.962 17.828 1.00 51.35 ? 2608 HOH A O 1 HETATM 3976 O O . HOH L 5 . ? -52.424 25.697 19.986 1.00 27.32 ? 2609 HOH A O 1 HETATM 3977 O O . HOH L 5 . ? -55.483 25.477 13.729 1.00 31.95 ? 2610 HOH A O 1 HETATM 3978 O O . HOH L 5 . ? -48.444 22.717 11.714 1.00 361.21 ? 2611 HOH A O 1 HETATM 3979 O O . HOH L 5 . ? -43.526 20.464 16.894 1.00 44.29 ? 2612 HOH A O 1 HETATM 3980 O O . HOH L 5 . ? -56.413 21.662 19.271 1.00 69.67 ? 2613 HOH A O 1 HETATM 3981 O O . HOH L 5 . ? -55.529 17.919 15.907 1.00 31.56 ? 2614 HOH A O 1 HETATM 3982 O O . HOH L 5 . ? -52.844 18.279 19.827 1.00 31.42 ? 2615 HOH A O 1 HETATM 3983 O O . HOH L 5 . ? -54.287 18.911 13.694 1.00 26.26 ? 2616 HOH A O 1 HETATM 3984 O O . HOH L 5 . ? -48.279 15.908 14.984 1.00 18.72 ? 2617 HOH A O 1 HETATM 3985 O O . HOH L 5 . ? -47.220 13.887 16.479 1.00 40.96 ? 2618 HOH A O 1 HETATM 3986 O O . HOH L 5 . ? -43.631 14.548 17.447 1.00 28.95 ? 2619 HOH A O 1 HETATM 3987 O O . HOH L 5 . ? -45.905 15.172 21.101 1.00 49.53 ? 2620 HOH A O 1 HETATM 3988 O O . HOH L 5 . ? -43.426 16.581 19.412 1.00 83.52 ? 2621 HOH A O 1 HETATM 3989 O O . HOH L 5 . ? -48.518 15.713 21.988 1.00 58.43 ? 2622 HOH A O 1 HETATM 3990 O O . HOH L 5 . ? -48.674 21.391 21.253 1.00 58.38 ? 2623 HOH A O 1 HETATM 3991 O O . HOH L 5 . ? -44.372 18.684 22.768 1.00 39.75 ? 2624 HOH A O 1 HETATM 3992 O O . HOH L 5 . ? -54.928 15.228 16.260 1.00 31.25 ? 2625 HOH A O 1 HETATM 3993 O O . HOH L 5 . ? -52.890 17.302 12.823 1.00 37.92 ? 2626 HOH A O 1 HETATM 3994 O O . HOH L 5 . ? -47.941 12.803 18.160 1.00 31.19 ? 2627 HOH A O 1 HETATM 3995 O O . HOH L 5 . ? -43.888 12.470 15.565 1.00 15.05 ? 2628 HOH A O 1 HETATM 3996 O O . HOH L 5 . ? -47.650 11.042 9.577 1.00 13.11 ? 2629 HOH A O 1 HETATM 3997 O O . HOH L 5 . ? -42.465 5.071 13.068 1.00 33.02 ? 2630 HOH A O 1 HETATM 3998 O O . HOH L 5 . ? -40.745 6.823 11.867 1.00 30.50 ? 2631 HOH A O 1 HETATM 3999 O O . HOH L 5 . ? -37.560 8.461 8.421 1.00 12.88 ? 2632 HOH A O 1 HETATM 4000 O O . HOH L 5 . ? -35.587 14.690 16.509 1.00 29.52 ? 2633 HOH A O 1 HETATM 4001 O O . HOH L 5 . ? -43.284 7.903 3.370 1.00 28.26 ? 2634 HOH A O 1 HETATM 4002 O O . HOH L 5 . ? -40.909 6.306 8.294 1.00 35.92 ? 2635 HOH A O 1 HETATM 4003 O O . HOH L 5 . ? -40.664 7.246 2.910 1.00 15.60 ? 2636 HOH A O 1 HETATM 4004 O O . HOH L 5 . ? -49.028 5.976 5.825 1.00 22.31 ? 2637 HOH A O 1 HETATM 4005 O O . HOH L 5 . ? -48.446 7.516 2.870 1.00 27.20 ? 2638 HOH A O 1 HETATM 4006 O O . HOH L 5 . ? -45.584 5.237 3.682 1.00 39.92 ? 2639 HOH A O 1 HETATM 4007 O O . HOH L 5 . ? -44.361 4.491 11.575 1.00 23.94 ? 2640 HOH A O 1 HETATM 4008 O O . HOH L 5 . ? -44.833 2.009 7.522 1.00 41.71 ? 2641 HOH A O 1 HETATM 4009 O O . HOH L 5 . ? -47.887 2.306 13.022 1.00 46.72 ? 2642 HOH A O 1 HETATM 4010 O O . HOH L 5 . ? -48.310 6.771 19.229 1.00 26.91 ? 2643 HOH A O 1 HETATM 4011 O O . HOH L 5 . ? -49.231 1.520 15.375 1.00 32.61 ? 2644 HOH A O 1 HETATM 4012 O O . HOH L 5 . ? -52.459 1.089 18.750 1.00 52.55 ? 2645 HOH A O 1 HETATM 4013 O O . HOH L 5 . ? -57.667 8.275 19.033 1.00 49.24 ? 2646 HOH A O 1 HETATM 4014 O O . HOH L 5 . ? -58.511 11.900 22.260 1.00 49.03 ? 2647 HOH A O 1 HETATM 4015 O O . HOH L 5 . ? -57.458 12.600 18.272 1.00 43.38 ? 2648 HOH A O 1 HETATM 4016 O O . HOH L 5 . ? -55.465 5.253 25.426 1.00 67.89 ? 2649 HOH A O 1 HETATM 4017 O O . HOH L 5 . ? -51.265 12.070 25.478 1.00 41.68 ? 2650 HOH A O 1 HETATM 4018 O O . HOH L 5 . ? -58.892 13.631 25.064 1.00 58.80 ? 2651 HOH A O 1 HETATM 4019 O O . HOH L 5 . ? -41.042 6.264 25.982 1.00 59.82 ? 2652 HOH A O 1 HETATM 4020 O O . HOH L 5 . ? -36.626 7.673 24.466 1.00 52.41 ? 2653 HOH A O 1 HETATM 4021 O O . HOH L 5 . ? -35.944 6.297 22.079 1.00 44.53 ? 2654 HOH A O 1 HETATM 4022 O O . HOH L 5 . ? -43.754 5.962 20.464 1.00 53.39 ? 2655 HOH A O 1 HETATM 4023 O O . HOH L 5 . ? -41.477 12.206 17.898 1.00 50.66 ? 2656 HOH A O 1 HETATM 4024 O O . HOH L 5 . ? -46.696 8.625 19.677 1.00 38.98 ? 2657 HOH A O 1 HETATM 4025 O O . HOH L 5 . ? -44.542 2.766 19.803 1.00 39.60 ? 2658 HOH A O 1 HETATM 4026 O O . HOH L 5 . ? -37.089 6.716 18.484 1.00 72.80 ? 2659 HOH A O 1 HETATM 4027 O O . HOH L 5 . ? -40.962 3.066 13.790 1.00 35.56 ? 2660 HOH A O 1 HETATM 4028 O O . HOH L 5 . ? -38.745 -1.495 16.413 1.00 20.71 ? 2661 HOH A O 1 HETATM 4029 O O . HOH L 5 . ? -43.508 0.835 20.730 1.00 47.55 ? 2662 HOH A O 1 HETATM 4030 O O . HOH L 5 . ? -43.646 -0.197 14.476 1.00 45.66 ? 2663 HOH A O 1 HETATM 4031 O O . HOH L 5 . ? -37.567 0.269 12.335 1.00 41.80 ? 2664 HOH A O 1 HETATM 4032 O O . HOH L 5 . ? -34.819 2.088 23.613 1.00 12.94 ? 2665 HOH A O 1 HETATM 4033 O O . HOH L 5 . ? -38.955 0.111 23.355 1.00 41.88 ? 2666 HOH A O 1 HETATM 4034 O O . HOH L 5 . ? -42.174 -2.555 24.444 1.00 59.81 ? 2667 HOH A O 1 HETATM 4035 O O . HOH L 5 . ? -35.918 -0.988 16.164 1.00 11.60 ? 2668 HOH A O 1 HETATM 4036 O O . HOH L 5 . ? -36.754 -3.778 24.839 1.00 46.99 ? 2669 HOH A O 1 HETATM 4037 O O . HOH L 5 . ? -34.826 0.022 25.584 1.00 26.62 ? 2670 HOH A O 1 HETATM 4038 O O . HOH L 5 . ? -36.366 -1.967 26.638 1.00 41.75 ? 2671 HOH A O 1 HETATM 4039 O O . HOH L 5 . ? -33.840 -8.545 25.191 1.00 14.79 ? 2672 HOH A O 1 HETATM 4040 O O . HOH L 5 . ? -33.670 -8.912 28.536 1.00 52.66 ? 2673 HOH A O 1 HETATM 4041 O O . HOH L 5 . ? -29.176 -8.212 29.250 1.00 21.80 ? 2674 HOH A O 1 HETATM 4042 O O . HOH L 5 . ? -29.295 -5.292 29.074 1.00 14.98 ? 2675 HOH A O 1 HETATM 4043 O O . HOH L 5 . ? -31.301 -14.897 25.202 1.00 40.59 ? 2676 HOH A O 1 HETATM 4044 O O . HOH L 5 . ? -31.010 -14.921 19.707 1.00 41.20 ? 2677 HOH A O 1 HETATM 4045 O O . HOH L 5 . ? -29.170 -15.309 21.668 1.00 29.73 ? 2678 HOH A O 1 HETATM 4046 O O . HOH L 5 . ? -24.023 -10.201 29.021 1.00 18.91 ? 2679 HOH A O 1 HETATM 4047 O O . HOH L 5 . ? -22.845 -14.788 22.944 1.00 22.02 ? 2680 HOH A O 1 HETATM 4048 O O . HOH L 5 . ? -29.489 -19.103 28.312 1.00 34.46 ? 2681 HOH A O 1 HETATM 4049 O O . HOH L 5 . ? -28.254 -15.382 30.886 1.00 66.06 ? 2682 HOH A O 1 HETATM 4050 O O . HOH L 5 . ? -26.611 -8.880 30.204 1.00 32.75 ? 2683 HOH A O 1 HETATM 4051 O O . HOH L 5 . ? -23.017 -7.708 29.301 1.00 11.82 ? 2684 HOH A O 1 HETATM 4052 O O . HOH L 5 . ? -26.073 -7.257 32.204 1.00 33.37 ? 2685 HOH A O 1 HETATM 4053 O O . HOH L 5 . ? -17.942 -13.339 23.559 1.00 30.43 ? 2686 HOH A O 1 HETATM 4054 O O . HOH L 5 . ? -17.867 -10.652 26.033 1.00 41.97 ? 2687 HOH A O 1 HETATM 4055 O O . HOH L 5 . ? -19.279 -9.208 28.279 1.00 29.89 ? 2688 HOH A O 1 HETATM 4056 O O . HOH L 5 . ? -15.218 -4.249 25.792 1.00 22.24 ? 2689 HOH A O 1 HETATM 4057 O O . HOH L 5 . ? -15.455 -11.540 22.438 1.00 37.34 ? 2690 HOH A O 1 HETATM 4058 O O . HOH L 5 . ? -18.414 -8.519 31.986 1.00 25.20 ? 2691 HOH A O 1 HETATM 4059 O O . HOH L 5 . ? -22.567 -7.715 36.570 1.00 39.27 ? 2692 HOH A O 1 HETATM 4060 O O . HOH L 5 . ? -20.144 -9.423 35.940 1.00 45.74 ? 2693 HOH A O 1 HETATM 4061 O O . HOH L 5 . ? -23.914 -12.750 30.607 1.00 39.07 ? 2694 HOH A O 1 HETATM 4062 O O . HOH L 5 . ? -25.442 -0.442 36.305 1.00 43.35 ? 2695 HOH A O 1 HETATM 4063 O O . HOH L 5 . ? -22.795 0.252 35.765 1.00 44.31 ? 2696 HOH A O 1 HETATM 4064 O O . HOH L 5 . ? -24.188 -3.230 37.702 1.00 40.54 ? 2697 HOH A O 1 HETATM 4065 O O . HOH L 5 . ? -17.415 -7.340 33.309 1.00 32.24 ? 2698 HOH A O 1 HETATM 4066 O O . HOH L 5 . ? -14.975 -4.147 35.855 1.00 44.79 ? 2699 HOH A O 1 HETATM 4067 O O . HOH L 5 . ? -18.459 -2.071 37.560 1.00 41.89 ? 2700 HOH A O 1 HETATM 4068 O O . HOH L 5 . ? -27.198 -4.345 34.175 1.00 36.53 ? 2701 HOH A O 1 HETATM 4069 O O . HOH L 5 . ? -30.534 -1.413 33.644 1.00 25.73 ? 2702 HOH A O 1 HETATM 4070 O O . HOH L 5 . ? -30.082 2.261 31.092 1.00 25.37 ? 2703 HOH A O 1 HETATM 4071 O O . HOH L 5 . ? -35.692 2.566 31.323 1.00 47.65 ? 2704 HOH A O 1 HETATM 4072 O O . HOH L 5 . ? -33.602 6.707 28.925 1.00 37.71 ? 2705 HOH A O 1 HETATM 4073 O O . HOH L 5 . ? -29.786 5.072 27.831 1.00 20.42 ? 2706 HOH A O 1 HETATM 4074 O O . HOH L 5 . ? -35.044 4.996 24.089 1.00 22.05 ? 2707 HOH A O 1 HETATM 4075 O O . HOH L 5 . ? -35.245 6.384 26.691 1.00 46.39 ? 2708 HOH A O 1 HETATM 4076 O O . HOH L 5 . ? -31.520 7.834 31.920 1.00 30.19 ? 2709 HOH A O 1 HETATM 4077 O O . HOH L 5 . ? -28.423 7.545 32.775 1.00 39.43 ? 2710 HOH A O 1 HETATM 4078 O O . HOH L 5 . ? -34.564 11.191 25.562 1.00 42.53 ? 2711 HOH A O 1 HETATM 4079 O O . HOH L 5 . ? -34.933 14.280 28.363 1.00 33.43 ? 2712 HOH A O 1 HETATM 4080 O O . HOH L 5 . ? -31.305 19.952 27.469 1.00 40.40 ? 2713 HOH A O 1 HETATM 4081 O O . HOH L 5 . ? -34.762 18.417 24.229 1.00 58.22 ? 2714 HOH A O 1 HETATM 4082 O O . HOH L 5 . ? -37.898 15.058 24.313 1.00 79.27 ? 2715 HOH A O 1 HETATM 4083 O O . HOH L 5 . ? -32.076 20.960 32.858 1.00 46.43 ? 2716 HOH A O 1 HETATM 4084 O O . HOH L 5 . ? -34.549 19.651 29.827 1.00 48.84 ? 2717 HOH A O 1 HETATM 4085 O O . HOH L 5 . ? -26.099 20.639 32.524 1.00 43.66 ? 2718 HOH A O 1 HETATM 4086 O O . HOH L 5 . ? -25.406 14.459 36.321 1.00 22.60 ? 2719 HOH A O 1 HETATM 4087 O O . HOH L 5 . ? -26.964 18.367 35.927 1.00 46.24 ? 2720 HOH A O 1 HETATM 4088 O O . HOH L 5 . ? -29.914 23.385 25.773 1.00 25.33 ? 2721 HOH A O 1 HETATM 4089 O O . HOH L 5 . ? -25.941 28.758 25.953 1.00 37.02 ? 2722 HOH A O 1 HETATM 4090 O O . HOH L 5 . ? -22.100 29.441 31.106 1.00 56.55 ? 2723 HOH A O 1 HETATM 4091 O O . HOH L 5 . ? -28.769 25.756 30.147 1.00 51.18 ? 2724 HOH A O 1 HETATM 4092 O O . HOH L 5 . ? -34.003 22.176 24.294 1.00 49.17 ? 2725 HOH A O 1 HETATM 4093 O O . HOH L 5 . ? -23.767 29.251 23.923 1.00 40.21 ? 2726 HOH A O 1 HETATM 4094 O O . HOH L 5 . ? -21.301 30.034 19.908 1.00 38.00 ? 2727 HOH A O 1 HETATM 4095 O O . HOH L 5 . ? -16.206 22.471 19.550 1.00 24.64 ? 2728 HOH A O 1 HETATM 4096 O O . HOH L 5 . ? -16.332 27.062 18.479 1.00 37.78 ? 2729 HOH A O 1 HETATM 4097 O O . HOH L 5 . ? -19.844 28.499 21.340 1.00 32.54 ? 2730 HOH A O 1 HETATM 4098 O O . HOH L 5 . ? -17.483 28.367 22.451 1.00 51.69 ? 2731 HOH A O 1 HETATM 4099 O O . HOH L 5 . ? -23.701 29.988 17.113 1.00 12.37 ? 2732 HOH A O 1 HETATM 4100 O O . HOH L 5 . ? -28.375 28.395 21.788 1.00 21.65 ? 2733 HOH A O 1 HETATM 4101 O O . HOH L 5 . ? -27.828 30.292 23.357 1.00 48.50 ? 2734 HOH A O 1 HETATM 4102 O O . HOH L 5 . ? -32.407 32.700 24.782 1.00 70.36 ? 2735 HOH A O 1 HETATM 4103 O O . HOH L 5 . ? -21.011 28.593 15.282 1.00 21.87 ? 2736 HOH A O 1 HETATM 4104 O O . HOH L 5 . ? -22.132 30.560 12.872 1.00 20.59 ? 2737 HOH A O 1 HETATM 4105 O O . HOH L 5 . ? -26.100 33.204 12.725 1.00 41.38 ? 2738 HOH A O 1 HETATM 4106 O O . HOH L 5 . ? -20.564 34.709 7.766 1.00 43.94 ? 2739 HOH A O 1 HETATM 4107 O O . HOH L 5 . ? -21.290 33.368 11.566 1.00 39.99 ? 2740 HOH A O 1 HETATM 4108 O O . HOH L 5 . ? -25.270 29.912 5.832 1.00 26.61 ? 2741 HOH A O 1 HETATM 4109 O O . HOH L 5 . ? -22.465 32.891 4.929 1.00 21.38 ? 2742 HOH A O 1 HETATM 4110 O O . HOH L 5 . ? -25.015 33.549 10.287 1.00 39.06 ? 2743 HOH A O 1 HETATM 4111 O O . HOH L 5 . ? -15.459 30.682 9.947 1.00 25.16 ? 2744 HOH A O 1 HETATM 4112 O O . HOH L 5 . ? -18.873 29.877 16.310 1.00 39.76 ? 2745 HOH A O 1 HETATM 4113 O O . HOH L 5 . ? -16.633 29.432 14.978 1.00 35.12 ? 2746 HOH A O 1 HETATM 4114 O O . HOH L 5 . ? -16.415 24.928 16.105 1.00 31.79 ? 2747 HOH A O 1 HETATM 4115 O O . HOH L 5 . ? -14.522 29.923 3.563 1.00 25.40 ? 2748 HOH A O 1 HETATM 4116 O O . HOH L 5 . ? -13.674 31.028 7.959 1.00 29.39 ? 2749 HOH A O 1 HETATM 4117 O O . HOH L 5 . ? -10.685 24.563 5.935 1.00 51.11 ? 2750 HOH A O 1 HETATM 4118 O O . HOH L 5 . ? -13.301 26.856 16.306 1.00 53.03 ? 2751 HOH A O 1 HETATM 4119 O O . HOH L 5 . ? -15.564 27.027 14.851 1.00 46.20 ? 2752 HOH A O 1 HETATM 4120 O O . HOH L 5 . ? -11.668 32.648 13.370 1.00 88.05 ? 2753 HOH A O 1 HETATM 4121 O O . HOH L 5 . ? -12.803 22.438 2.004 1.00 15.86 ? 2754 HOH A O 1 HETATM 4122 O O . HOH L 5 . ? -14.569 29.021 1.237 1.00 21.55 ? 2755 HOH A O 1 HETATM 4123 O O . HOH L 5 . ? -10.117 30.004 0.075 1.00 54.78 ? 2756 HOH A O 1 HETATM 4124 O O . HOH L 5 . ? -11.159 30.133 7.966 1.00 50.33 ? 2757 HOH A O 1 HETATM 4125 O O . HOH L 5 . ? -7.547 27.746 6.072 1.00 53.20 ? 2758 HOH A O 1 HETATM 4126 O O . HOH L 5 . ? -10.014 19.629 -2.832 1.00 42.70 ? 2759 HOH A O 1 HETATM 4127 O O . HOH L 5 . ? -9.462 22.634 -4.490 1.00 46.22 ? 2760 HOH A O 1 HETATM 4128 O O . HOH L 5 . ? -13.758 28.254 -4.183 1.00 19.81 ? 2761 HOH A O 1 HETATM 4129 O O . HOH L 5 . ? -10.668 25.611 -4.964 1.00 34.23 ? 2762 HOH A O 1 HETATM 4130 O O . HOH L 5 . ? -15.968 26.405 -1.536 1.00 9.56 ? 2763 HOH A O 1 HETATM 4131 O O . HOH L 5 . ? -12.288 29.386 -0.041 1.00 26.59 ? 2764 HOH A O 1 HETATM 4132 O O . HOH L 5 . ? -11.645 17.835 -1.442 1.00 43.86 ? 2765 HOH A O 1 HETATM 4133 O O . HOH L 5 . ? -6.570 22.879 7.182 1.00 47.60 ? 2766 HOH A O 1 HETATM 4134 O O . HOH L 5 . ? -2.410 23.013 4.310 1.00 51.20 ? 2767 HOH A O 1 HETATM 4135 O O . HOH L 5 . ? -3.726 18.904 3.385 1.00 59.75 ? 2768 HOH A O 1 HETATM 4136 O O . HOH L 5 . ? -6.677 17.884 7.037 1.00 22.88 ? 2769 HOH A O 1 HETATM 4137 O O . HOH L 5 . ? -20.023 17.134 -2.008 1.00 22.57 ? 2770 HOH A O 1 HETATM 4138 O O . HOH L 5 . ? -37.815 17.431 4.466 1.00 6.74 ? 2771 HOH A O 1 HETATM 4139 O O . HOH L 5 . ? -36.791 16.855 -3.861 1.00 18.22 ? 2772 HOH A O 1 HETATM 4140 O O . HOH L 5 . ? -40.146 19.949 14.109 1.00 55.77 ? 2773 HOH A O 1 HETATM 4141 O O . HOH L 5 . ? -35.131 24.495 -1.163 1.00 17.10 ? 2774 HOH A O 1 HETATM 4142 O O . HOH L 5 . ? -31.176 26.496 -4.166 1.00 11.91 ? 2775 HOH A O 1 HETATM 4143 O O . HOH L 5 . ? -30.712 31.375 1.316 1.00 35.45 ? 2776 HOH A O 1 HETATM 4144 O O . HOH L 5 . ? -22.899 28.278 -1.060 1.00 11.66 ? 2777 HOH A O 1 HETATM 4145 O O . HOH L 5 . ? -25.316 31.130 -3.090 1.00 15.14 ? 2778 HOH A O 1 HETATM 4146 O O . HOH L 5 . ? -27.628 30.020 -4.609 1.00 20.05 ? 2779 HOH A O 1 HETATM 4147 O O . HOH L 5 . ? -25.041 34.855 2.352 1.00 28.45 ? 2780 HOH A O 1 HETATM 4148 O O . HOH L 5 . ? -19.892 33.708 3.278 1.00 37.73 ? 2781 HOH A O 1 HETATM 4149 O O . HOH L 5 . ? -22.896 31.720 -4.259 1.00 13.70 ? 2782 HOH A O 1 HETATM 4150 O O . HOH L 5 . ? -23.930 37.486 -2.621 1.00 42.12 ? 2783 HOH A O 1 HETATM 4151 O O . HOH L 5 . ? -21.115 36.367 2.099 1.00 44.39 ? 2784 HOH A O 1 HETATM 4152 O O . HOH L 5 . ? -20.996 37.936 -3.337 1.00 31.58 ? 2785 HOH A O 1 HETATM 4153 O O . HOH L 5 . ? -15.954 29.123 -2.768 1.00 19.02 ? 2786 HOH A O 1 HETATM 4154 O O . HOH L 5 . ? -16.477 31.979 1.864 1.00 19.33 ? 2787 HOH A O 1 HETATM 4155 O O . HOH L 5 . ? -12.548 35.465 -2.369 1.00 45.24 ? 2788 HOH A O 1 HETATM 4156 O O . HOH L 5 . ? -12.913 32.438 -1.462 1.00 44.12 ? 2789 HOH A O 1 HETATM 4157 O O . HOH L 5 . ? -10.503 30.264 -5.269 1.00 41.44 ? 2790 HOH A O 1 HETATM 4158 O O . HOH L 5 . ? -12.394 33.245 -7.830 1.00 32.87 ? 2791 HOH A O 1 HETATM 4159 O O . HOH L 5 . ? -11.629 31.224 -3.312 1.00 35.66 ? 2792 HOH A O 1 HETATM 4160 O O . HOH L 5 . ? -19.217 23.336 -8.752 1.00 18.10 ? 2793 HOH A O 1 HETATM 4161 O O . HOH L 5 . ? -16.392 22.788 -8.182 1.00 27.72 ? 2794 HOH A O 1 HETATM 4162 O O . HOH L 5 . ? -13.363 28.163 -6.795 1.00 39.55 ? 2795 HOH A O 1 HETATM 4163 O O . HOH L 5 . ? -12.496 24.300 -12.038 1.00 53.97 ? 2796 HOH A O 1 HETATM 4164 O O . HOH L 5 . ? -24.758 28.767 -12.328 1.00 39.42 ? 2797 HOH A O 1 HETATM 4165 O O . HOH L 5 . ? -20.142 27.059 -12.377 1.00 53.10 ? 2798 HOH A O 1 HETATM 4166 O O . HOH L 5 . ? -22.859 32.281 -7.106 1.00 11.42 ? 2799 HOH A O 1 HETATM 4167 O O . HOH L 5 . ? -27.134 28.684 -10.793 1.00 35.94 ? 2800 HOH A O 1 HETATM 4168 O O . HOH L 5 . ? -24.513 24.823 -14.442 1.00 22.35 ? 2801 HOH A O 1 HETATM 4169 O O . HOH L 5 . ? -26.175 21.383 -9.033 1.00 12.91 ? 2802 HOH A O 1 HETATM 4170 O O . HOH L 5 . ? -29.259 24.508 -18.831 1.00 41.44 ? 2803 HOH A O 1 HETATM 4171 O O . HOH L 5 . ? -32.047 21.749 -14.017 1.00 38.47 ? 2804 HOH A O 1 HETATM 4172 O O . HOH L 5 . ? -30.204 26.777 -10.451 1.00 21.13 ? 2805 HOH A O 1 HETATM 4173 O O . HOH L 5 . ? -33.622 20.866 -11.753 1.00 13.44 ? 2806 HOH A O 1 HETATM 4174 O O . HOH L 5 . ? -29.133 17.632 -15.547 1.00 38.25 ? 2807 HOH A O 1 HETATM 4175 O O . HOH L 5 . ? -24.176 19.527 -12.494 1.00 151.46 ? 2808 HOH A O 1 HETATM 4176 O O . HOH L 5 . ? -29.247 15.336 -14.153 1.00 25.09 ? 2809 HOH A O 1 HETATM 4177 O O . HOH L 5 . ? -27.895 6.399 -12.730 1.00 34.23 ? 2810 HOH A O 1 HETATM 4178 O O . HOH L 5 . ? -27.617 4.224 -10.547 1.00 28.50 ? 2811 HOH A O 1 HETATM 4179 O O . HOH L 5 . ? -28.733 1.003 -9.026 1.00 23.71 ? 2812 HOH A O 1 HETATM 4180 O O . HOH L 5 . ? -31.883 -1.103 -18.997 1.00 55.84 ? 2813 HOH A O 1 HETATM 4181 O O . HOH L 5 . ? -31.434 -2.327 -8.415 1.00 45.09 ? 2814 HOH A O 1 HETATM 4182 O O . HOH L 5 . ? -30.080 -2.328 -10.535 1.00 50.59 ? 2815 HOH A O 1 HETATM 4183 O O . HOH L 5 . ? -36.425 7.128 -5.326 1.00 21.11 ? 2816 HOH A O 1 HETATM 4184 O O . HOH L 5 . ? -34.219 3.740 -2.757 1.00 5.27 ? 2817 HOH A O 1 HETATM 4185 O O . HOH L 5 . ? -33.713 -5.724 -11.944 1.00 58.10 ? 2818 HOH A O 1 HETATM 4186 O O . HOH L 5 . ? -37.790 -3.106 -11.090 1.00 51.76 ? 2819 HOH A O 1 HETATM 4187 O O . HOH L 5 . ? -36.786 -1.775 -15.824 1.00 32.60 ? 2820 HOH A O 1 HETATM 4188 O O . HOH L 5 . ? -38.370 2.665 -10.078 1.00 62.07 ? 2821 HOH A O 1 HETATM 4189 O O . HOH L 5 . ? -39.100 1.292 -8.004 1.00 44.10 ? 2822 HOH A O 1 HETATM 4190 O O . HOH L 5 . ? -34.351 4.172 -17.989 1.00 25.42 ? 2823 HOH A O 1 HETATM 4191 O O . HOH L 5 . ? -29.830 3.388 -17.687 1.00 48.16 ? 2824 HOH A O 1 HETATM 4192 O O . HOH L 5 . ? -27.307 7.712 -16.375 1.00 45.67 ? 2825 HOH A O 1 HETATM 4193 O O . HOH L 5 . ? -38.393 9.528 -11.854 1.00 13.62 ? 2826 HOH A O 1 HETATM 4194 O O . HOH L 5 . ? -38.939 9.418 -9.297 1.00 29.61 ? 2827 HOH A O 1 HETATM 4195 O O . HOH L 5 . ? -35.473 9.089 -3.789 1.00 7.50 ? 2828 HOH A O 1 HETATM 4196 O O . HOH L 5 . ? -30.869 27.195 -7.088 1.00 2.00 ? 2829 HOH A O 1 HETATM 4197 O O . HOH L 5 . ? -24.400 19.501 -9.831 1.00 17.86 ? 2830 HOH A O 1 HETATM 4198 O O . HOH L 5 . ? -18.527 19.198 -10.122 1.00 12.80 ? 2831 HOH A O 1 HETATM 4199 O O . HOH L 5 . ? -21.408 18.633 -11.773 1.00 46.38 ? 2832 HOH A O 1 HETATM 4200 O O . HOH L 5 . ? -20.515 18.764 -6.391 1.00 44.29 ? 2833 HOH A O 1 HETATM 4201 O O . HOH L 5 . ? -19.421 20.181 -4.790 1.00 32.80 ? 2834 HOH A O 1 HETATM 4202 O O . HOH L 5 . ? -15.878 20.874 -5.906 1.00 27.45 ? 2835 HOH A O 1 HETATM 4203 O O . HOH L 5 . ? -39.492 9.390 -4.637 1.00 16.66 ? 2836 HOH A O 1 HETATM 4204 O O . HOH L 5 . ? -41.922 7.761 -0.670 1.00 44.90 ? 2837 HOH A O 1 HETATM 4205 O O . HOH L 5 . ? -36.292 9.188 12.808 1.00 29.74 ? 2838 HOH A O 1 HETATM 4206 O O . HOH L 5 . ? -39.053 1.397 4.368 1.00 36.64 ? 2839 HOH A O 1 HETATM 4207 O O . HOH L 5 . ? -34.865 -0.360 5.205 1.00 39.71 ? 2840 HOH A O 1 HETATM 4208 O O . HOH L 5 . ? -40.178 4.890 2.034 1.00 30.54 ? 2841 HOH A O 1 HETATM 4209 O O . HOH L 5 . ? -37.509 2.367 -0.163 1.00 35.85 ? 2842 HOH A O 1 HETATM 4210 O O . HOH L 5 . ? -38.613 6.259 8.084 1.00 21.78 ? 2843 HOH A O 1 HETATM 4211 O O . HOH L 5 . ? -40.221 3.546 5.226 1.00 39.75 ? 2844 HOH A O 1 HETATM 4212 O O . HOH L 5 . ? -39.557 3.262 -1.929 1.00 34.58 ? 2845 HOH A O 1 HETATM 4213 O O . HOH L 5 . ? -37.966 3.151 -4.263 1.00 46.61 ? 2846 HOH A O 1 HETATM 4214 O O . HOH L 5 . ? -27.219 3.038 -8.223 1.00 44.84 ? 2847 HOH A O 1 HETATM 4215 O O . HOH L 5 . ? -25.044 2.479 -6.735 1.00 50.67 ? 2848 HOH A O 1 HETATM 4216 O O . HOH L 5 . ? -19.486 6.467 -7.152 1.00 17.72 ? 2849 HOH A O 1 HETATM 4217 O O . HOH L 5 . ? -22.762 3.405 -7.146 1.00 39.56 ? 2850 HOH A O 1 HETATM 4218 O O . HOH L 5 . ? -18.486 2.243 -5.068 1.00 30.12 ? 2851 HOH A O 1 HETATM 4219 O O . HOH L 5 . ? -19.158 14.242 -5.215 1.00 27.93 ? 2852 HOH A O 1 HETATM 4220 O O . HOH L 5 . ? -23.078 5.670 -9.104 1.00 23.20 ? 2853 HOH A O 1 HETATM 4221 O O . HOH L 5 . ? -22.156 9.708 -10.647 1.00 22.98 ? 2854 HOH A O 1 HETATM 4222 O O . HOH L 5 . ? -26.087 8.682 -12.953 1.00 34.52 ? 2855 HOH A O 1 HETATM 4223 O O . HOH L 5 . ? -15.770 13.564 -1.646 1.00 40.97 ? 2856 HOH A O 1 HETATM 4224 O O . HOH L 5 . ? -17.779 14.811 -2.899 1.00 38.64 ? 2857 HOH A O 1 HETATM 4225 O O . HOH L 5 . ? -12.631 10.931 -2.246 1.00 51.20 ? 2858 HOH A O 1 HETATM 4226 O O . HOH L 5 . ? -12.663 8.167 -0.915 1.00 34.95 ? 2859 HOH A O 1 HETATM 4227 O O . HOH L 5 . ? -13.437 9.043 -8.171 1.00 29.98 ? 2860 HOH A O 1 HETATM 4228 O O . HOH L 5 . ? -11.627 10.369 -4.682 1.00 51.74 ? 2861 HOH A O 1 HETATM 4229 O O . HOH L 5 . ? -16.041 2.808 -3.827 1.00 15.85 ? 2862 HOH A O 1 HETATM 4230 O O . HOH L 5 . ? -13.711 5.168 -1.988 1.00 34.54 ? 2863 HOH A O 1 HETATM 4231 O O . HOH L 5 . ? -13.918 2.699 -5.710 1.00 32.33 ? 2864 HOH A O 1 HETATM 4232 O O . HOH L 5 . ? -12.275 7.063 -5.468 1.00 44.18 ? 2865 HOH A O 1 HETATM 4233 O O . HOH L 5 . ? -14.332 5.692 -7.803 1.00 42.70 ? 2866 HOH A O 1 HETATM 4234 O O . HOH L 5 . ? -16.464 14.832 -9.565 1.00 26.53 ? 2867 HOH A O 1 HETATM 4235 O O . HOH L 5 . ? -19.470 16.457 -6.917 1.00 32.34 ? 2868 HOH A O 1 HETATM 4236 O O . HOH L 5 . ? -19.947 7.769 -11.191 1.00 26.13 ? 2869 HOH A O 1 HETATM 4237 O O . HOH L 5 . ? -16.806 9.604 -13.509 1.00 17.24 ? 2870 HOH A O 1 HETATM 4238 O O . HOH L 5 . ? -17.638 7.237 -13.545 1.00 38.96 ? 2871 HOH A O 1 HETATM 4239 O O . HOH L 5 . ? -17.094 5.766 -11.312 1.00 69.17 ? 2872 HOH A O 1 HETATM 4240 O O . HOH L 5 . ? -25.547 11.130 -5.635 1.00 37.48 ? 2873 HOH A O 1 HETATM 4241 O O . HOH L 5 . ? -31.704 39.060 12.684 1.00 17.69 ? 2874 HOH A O 1 HETATM 4242 O O . HOH L 5 . ? -4.762 -8.174 13.516 1.00 9.92 ? 2875 HOH A O 1 HETATM 4243 O O . HOH L 5 . ? -19.611 25.893 32.712 1.00 43.50 ? 2876 HOH A O 1 HETATM 4244 O O . HOH L 5 . ? -18.774 27.791 31.296 1.00 42.91 ? 2877 HOH A O 1 HETATM 4245 O O . HOH L 5 . ? -16.182 27.697 32.343 1.00 46.24 ? 2878 HOH A O 1 HETATM 4246 O O . HOH L 5 . ? -15.253 26.573 29.811 1.00 68.10 ? 2879 HOH A O 1 HETATM 4247 O O . HOH L 5 . ? -14.558 24.227 27.519 1.00 42.24 ? 2880 HOH A O 1 HETATM 4248 O O . HOH L 5 . ? -16.115 18.987 33.970 1.00 42.66 ? 2881 HOH A O 1 HETATM 4249 O O . HOH L 5 . ? -13.501 19.692 32.082 1.00 36.40 ? 2882 HOH A O 1 HETATM 4250 O O . HOH L 5 . ? -12.063 23.919 26.092 1.00 44.47 ? 2883 HOH A O 1 HETATM 4251 O O . HOH L 5 . ? -10.264 25.635 32.194 1.00 57.80 ? 2884 HOH A O 1 HETATM 4252 O O . HOH L 5 . ? -12.081 25.124 36.335 1.00 39.83 ? 2885 HOH A O 1 HETATM 4253 O O . HOH L 5 . ? -13.779 23.189 38.446 1.00 31.78 ? 2886 HOH A O 1 HETATM 4254 O O . HOH L 5 . ? -16.312 26.913 38.496 1.00 56.61 ? 2887 HOH A O 1 HETATM 4255 O O . HOH L 5 . ? -8.873 22.520 30.479 1.00 47.12 ? 2888 HOH A O 1 HETATM 4256 O O . HOH L 5 . ? -20.156 28.355 37.372 1.00 46.30 ? 2889 HOH A O 1 HETATM 4257 O O . HOH L 5 . ? -45.568 -1.921 21.158 1.00 47.54 ? 2890 HOH A O 1 HETATM 4258 O O . HOH L 5 . ? -48.815 -3.277 18.002 1.00 52.16 ? 2891 HOH A O 1 HETATM 4259 O O . HOH L 5 . ? -45.816 -4.003 14.224 1.00 39.47 ? 2892 HOH A O 1 HETATM 4260 O O . HOH L 5 . ? -40.298 -3.242 14.304 1.00 29.88 ? 2893 HOH A O 1 HETATM 4261 O O . HOH L 5 . ? -40.619 -7.727 22.869 1.00 48.76 ? 2894 HOH A O 1 HETATM 4262 O O . HOH L 5 . ? -42.017 -12.803 15.597 1.00 45.38 ? 2895 HOH A O 1 HETATM 4263 O O . HOH L 5 . ? -44.588 -12.258 12.691 1.00 46.42 ? 2896 HOH A O 1 HETATM 4264 O O . HOH L 5 . ? -43.851 -5.647 12.955 1.00 32.06 ? 2897 HOH A O 1 HETATM 4265 O O . HOH L 5 . ? -45.782 -13.698 16.544 1.00 56.78 ? 2898 HOH A O 1 HETATM 4266 O O . HOH L 5 . ? -51.586 -8.126 17.812 1.00 47.74 ? 2899 HOH A O 1 HETATM 4267 O O . HOH L 5 . ? -47.454 0.552 6.876 1.00 56.90 ? 2900 HOH A O 1 HETATM 4268 O O . HOH L 5 . ? -23.770 38.903 9.191 1.00 64.35 ? 2901 HOH A O 1 HETATM 4269 O O . HOH L 5 . ? -15.500 -11.327 -4.660 1.00 52.09 ? 2902 HOH A O 1 HETATM 4270 O O . HOH L 5 . ? -19.438 32.279 25.246 1.00 40.80 ? 2903 HOH A O 1 HETATM 4271 O O . HOH L 5 . ? -19.280 -8.488 -9.790 1.00 53.25 ? 2904 HOH A O 1 HETATM 4272 O O . HOH L 5 . ? -24.660 -9.562 -5.805 1.00 45.50 ? 2905 HOH A O 1 HETATM 4273 O O . HOH L 5 . ? -3.909 29.493 -0.054 1.00 46.88 ? 2906 HOH A O 1 HETATM 4274 O O . HOH L 5 . ? -50.824 -15.267 18.398 1.00 57.12 ? 2907 HOH A O 1 HETATM 4275 O O . HOH L 5 . ? -14.538 36.465 11.384 1.00 46.83 ? 2908 HOH A O 1 # _database_PDB_caveat.id 1 _database_PDB_caveat.text 'INCORRECT CHIRALITY AT C1 OF NAG A3011 INCORRECT CHIRALITY AT C1 OF NAG A3021' # 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 SER 1 -1 ? ? ? A . n A 1 2 ARG 2 0 0 ARG ARG A . n A 1 3 ALA 3 1 1 ALA ALA A . n A 1 4 PRO 4 2 2 PRO PRO A . n A 1 5 ASP 5 3 3 ASP ASP A . n A 1 6 GLN 6 4 4 GLN GLN A . n A 1 7 ASP 7 5 5 ASP ASP A . n A 1 8 GLU 8 6 6 GLU GLU A . n A 1 9 ILE 9 7 7 ILE ILE A . n A 1 10 GLN 10 8 8 GLN GLN A . n A 1 11 ARG 11 9 9 ARG ARG A . n A 1 12 LEU 12 10 10 LEU LEU A . n A 1 13 PRO 13 11 11 PRO PRO A . n A 1 14 GLY 14 12 12 GLY GLY A . n A 1 15 LEU 15 13 13 LEU LEU A . n A 1 16 ALA 16 14 14 ALA ALA A . n A 1 17 LYS 17 15 15 LYS LYS A . n A 1 18 GLN 18 16 16 GLN GLN A . n A 1 19 PRO 19 17 17 PRO PRO A . n A 1 20 SER 20 18 18 SER SER A . n A 1 21 PHE 21 19 19 PHE PHE A . n A 1 22 ARG 22 20 20 ARG ARG A . n A 1 23 GLN 23 21 21 GLN GLN A . n A 1 24 TYR 24 22 22 TYR TYR A . n A 1 25 SER 25 23 23 SER SER A . n A 1 26 GLY 26 24 24 GLY GLY A . n A 1 27 TYR 27 25 25 TYR TYR A . n A 1 28 LEU 28 26 26 LEU LEU A . n A 1 29 LYS 29 27 27 LYS LYS A . n A 1 30 GLY 30 28 28 GLY GLY A . n A 1 31 SER 31 29 29 SER SER A . n A 1 32 GLY 32 30 30 GLY GLY A . n A 1 33 SER 33 31 31 SER SER A . n A 1 34 LYS 34 32 32 LYS LYS A . n A 1 35 HIS 35 33 33 HIS HIS A . n A 1 36 LEU 36 34 34 LEU LEU A . n A 1 37 HIS 37 35 35 HIS HIS A . n A 1 38 TYR 38 36 36 TYR TYR A . n A 1 39 TRP 39 37 37 TRP TRP A . n A 1 40 PHE 40 38 38 PHE PHE A . n A 1 41 VAL 41 39 39 VAL VAL A . n A 1 42 GLU 42 40 40 GLU GLU A . n A 1 43 SER 43 41 41 SER SER A . n A 1 44 GLN 44 42 42 GLN GLN A . n A 1 45 LYS 45 43 43 LYS LYS A . n A 1 46 ASP 46 44 44 ASP ASP A . n A 1 47 PRO 47 45 45 PRO PRO A . n A 1 48 GLU 48 46 46 GLU GLU A . n A 1 49 ASN 49 47 47 ASN ASN A . n A 1 50 SER 50 48 48 SER SER A . n A 1 51 PRO 51 49 49 PRO PRO A . n A 1 52 VAL 52 50 50 VAL VAL A . n A 1 53 VAL 53 51 51 VAL VAL A . n A 1 54 LEU 54 52 52 LEU LEU A . n A 1 55 TRP 55 53 53 TRP TRP A . n A 1 56 LEU 56 54 54 LEU LEU A . n A 1 57 ASN 57 55 55 ASN ASN A . n A 1 58 GLY 58 56 56 GLY GLY A . n A 1 59 GLY 59 57 57 GLY GLY A . n A 1 60 PRO 60 58 58 PRO PRO A . n A 1 61 GLY 61 59 59 GLY GLY A . n A 1 62 CYS 62 60 60 CYS CYS A . n A 1 63 SER 63 61 61 SER SER A . n A 1 64 SER 64 62 62 SER SER A . n A 1 65 LEU 65 63 63 LEU LEU A . n A 1 66 ASP 66 64 64 ASP ASP A . n A 1 67 GLY 67 65 65 GLY GLY A . n A 1 68 LEU 68 66 66 LEU LEU A . n A 1 69 LEU 69 67 67 LEU LEU A . n A 1 70 THR 70 68 68 THR THR A . n A 1 71 GLU 71 69 69 GLU GLU A . n A 1 72 HIS 72 70 70 HIS HIS A . n A 1 73 GLY 73 71 71 GLY GLY A . n A 1 74 PRO 74 72 72 PRO PRO A . n A 1 75 PHE 75 73 73 PHE PHE A . n A 1 76 LEU 76 74 74 LEU LEU A . n A 1 77 VAL 77 75 75 VAL VAL A . n A 1 78 GLN 78 76 76 GLN GLN A . n A 1 79 PRO 79 77 77 PRO PRO A . n A 1 80 ASP 80 78 78 ASP ASP A . n A 1 81 GLY 81 79 79 GLY GLY A . n A 1 82 VAL 82 80 80 VAL VAL A . n A 1 83 THR 83 81 81 THR THR A . n A 1 84 LEU 84 82 82 LEU LEU A . n A 1 85 GLU 85 83 83 GLU GLU A . n A 1 86 TYR 86 84 84 TYR TYR A . n A 1 87 ASN 87 85 85 ASN ASN A . n A 1 88 PRO 88 86 86 PRO PRO A . n A 1 89 TYR 89 87 87 TYR TYR A . n A 1 90 SER 90 88 88 SER SER A . n A 1 91 TRP 91 89 89 TRP TRP A . n A 1 92 ASN 92 90 90 ASN ASN A . n A 1 93 LEU 93 91 91 LEU LEU A . n A 1 94 ILE 94 92 92 ILE ILE A . n A 1 95 ALA 95 93 93 ALA ALA A . n A 1 96 ASN 96 94 94 ASN ASN A . n A 1 97 VAL 97 95 95 VAL VAL A . n A 1 98 LEU 98 96 96 LEU LEU A . n A 1 99 TYR 99 97 97 TYR TYR A . n A 1 100 LEU 100 98 98 LEU LEU A . n A 1 101 GLU 101 99 99 GLU GLU A . n A 1 102 SER 102 100 100 SER SER A . n A 1 103 PRO 103 101 101 PRO PRO A . n A 1 104 ALA 104 102 102 ALA ALA A . n A 1 105 GLY 105 103 103 GLY GLY A . n A 1 106 VAL 106 104 104 VAL VAL A . n A 1 107 GLY 107 105 105 GLY GLY A . n A 1 108 PHE 108 106 106 PHE PHE A . n A 1 109 SER 109 107 107 SER SER A . n A 1 110 TYR 110 108 108 TYR TYR A . n A 1 111 SER 111 109 109 SER SER A . n A 1 112 ASP 112 110 110 ASP ASP A . n A 1 113 ASP 113 111 111 ASP ASP A . n A 1 114 LYS 114 112 112 LYS LYS A . n A 1 115 PHE 115 113 113 PHE PHE A . n A 1 116 TYR 116 114 114 TYR TYR A . n A 1 117 ALA 117 115 115 ALA ALA A . n A 1 118 THR 118 116 116 THR THR A . n A 1 119 ASN 119 117 117 ASN ASN A . n A 1 120 ASP 120 118 118 ASP ASP A . n A 1 121 THR 121 119 119 THR THR A . n A 1 122 GLU 122 120 120 GLU GLU A . n A 1 123 VAL 123 121 121 VAL VAL A . n A 1 124 ALA 124 122 122 ALA ALA A . n A 1 125 GLN 125 123 123 GLN GLN A . n A 1 126 SER 126 124 124 SER SER A . n A 1 127 ASN 127 125 125 ASN ASN A . n A 1 128 PHE 128 126 126 PHE PHE A . n A 1 129 GLU 129 127 127 GLU GLU A . n A 1 130 ALA 130 128 128 ALA ALA A . n A 1 131 LEU 131 129 129 LEU LEU A . n A 1 132 GLN 132 130 130 GLN GLN A . n A 1 133 ASP 133 131 131 ASP ASP A . n A 1 134 PHE 134 132 132 PHE PHE A . n A 1 135 PHE 135 133 133 PHE PHE A . n A 1 136 ARG 136 134 134 ARG ARG A . n A 1 137 LEU 137 135 135 LEU LEU A . n A 1 138 PHE 138 136 136 PHE PHE A . n A 1 139 PRO 139 137 137 PRO PRO A . n A 1 140 GLU 140 138 138 GLU GLU A . n A 1 141 TYR 141 139 139 TYR TYR A . n A 1 142 LYS 142 140 140 LYS LYS A . n A 1 143 ASN 143 141 141 ASN ASN A . n A 1 144 ASN 144 142 142 ASN ASN A . n A 1 145 LYS 145 143 143 LYS LYS A . n A 1 146 LEU 146 144 144 LEU LEU A . n A 1 147 PHE 147 145 145 PHE PHE A . n A 1 148 LEU 148 146 146 LEU LEU A . n A 1 149 THR 149 147 147 THR THR A . n A 1 150 GLY 150 148 148 GLY GLY A . n A 1 151 GLU 151 149 149 GLU GLU A . n A 1 152 SER 152 150 150 SER SER A . n A 1 153 TYR 153 151 151 TYR TYR A . n A 1 154 ALA 154 152 152 ALA ALA A . n A 1 155 GLY 155 153 153 GLY GLY A . n A 1 156 ILE 156 154 154 ILE ILE A . n A 1 157 TYR 157 155 155 TYR TYR A . n A 1 158 ILE 158 156 156 ILE ILE A . n A 1 159 PRO 159 157 157 PRO PRO A . n A 1 160 THR 160 158 158 THR THR A . n A 1 161 LEU 161 159 159 LEU LEU A . n A 1 162 ALA 162 160 160 ALA ALA A . n A 1 163 VAL 163 161 161 VAL VAL A . n A 1 164 LEU 164 162 162 LEU LEU A . n A 1 165 VAL 165 163 163 VAL VAL A . n A 1 166 MET 166 164 164 MET MET A . n A 1 167 GLN 167 165 165 GLN GLN A . n A 1 168 ASP 168 166 166 ASP ASP A . n A 1 169 PRO 169 167 167 PRO PRO A . n A 1 170 SER 170 168 168 SER SER A . n A 1 171 MET 171 169 169 MET MET A . n A 1 172 ASN 172 170 170 ASN ASN A . n A 1 173 LEU 173 171 171 LEU LEU A . n A 1 174 GLN 174 172 172 GLN GLN A . n A 1 175 GLY 175 173 173 GLY GLY A . n A 1 176 LEU 176 174 174 LEU LEU A . n A 1 177 ALA 177 175 175 ALA ALA A . n A 1 178 VAL 178 176 176 VAL VAL A . n A 1 179 GLY 179 177 177 GLY GLY A . n A 1 180 ASN 180 178 178 ASN ASN A . n A 1 181 GLY 181 179 179 GLY GLY A . n A 1 182 LEU 182 180 180 LEU LEU A . n A 1 183 SER 183 181 181 SER SER A . n A 1 184 SER 184 182 182 SER SER A . n A 1 185 TYR 185 183 183 TYR TYR A . n A 1 186 GLU 186 184 184 GLU GLU A . n A 1 187 GLN 187 185 185 GLN GLN A . n A 1 188 ASN 188 186 186 ASN ASN A . n A 1 189 ASP 189 187 187 ASP ASP A . n A 1 190 ASN 190 188 188 ASN ASN A . n A 1 191 SER 191 189 189 SER SER A . n A 1 192 LEU 192 190 190 LEU LEU A . n A 1 193 VAL 193 191 191 VAL VAL A . n A 1 194 TYR 194 192 192 TYR TYR A . n A 1 195 PHE 195 193 193 PHE PHE A . n A 1 196 ALA 196 194 194 ALA ALA A . n A 1 197 TYR 197 195 195 TYR TYR A . n A 1 198 TYR 198 196 196 TYR TYR A . n A 1 199 HIS 199 197 197 HIS HIS A . n A 1 200 GLY 200 198 198 GLY GLY A . n A 1 201 LEU 201 199 199 LEU LEU A . n A 1 202 LEU 202 200 200 LEU LEU A . n A 1 203 GLY 203 201 201 GLY GLY A . n A 1 204 ASN 204 202 202 ASN ASN A . n A 1 205 ARG 205 203 203 ARG ARG A . n A 1 206 LEU 206 204 204 LEU LEU A . n A 1 207 TRP 207 205 205 TRP TRP A . n A 1 208 SER 208 206 206 SER SER A . n A 1 209 SER 209 207 207 SER SER A . n A 1 210 LEU 210 208 208 LEU LEU A . n A 1 211 GLN 211 209 209 GLN GLN A . n A 1 212 THR 212 210 210 THR THR A . n A 1 213 HIS 213 211 211 HIS HIS A . n A 1 214 CYS 214 212 212 CYS CYS A . n A 1 215 CYS 215 213 213 CYS CYS A . n A 1 216 SER 216 214 214 SER SER A . n A 1 217 GLN 217 215 215 GLN GLN A . n A 1 218 ASN 218 216 216 ASN ASN A . n A 1 219 LYS 219 217 217 LYS LYS A . n A 1 220 CYS 220 218 218 CYS CYS A . n A 1 221 ASN 221 219 219 ASN ASN A . n A 1 222 PHE 222 220 220 PHE PHE A . n A 1 223 TYR 223 221 221 TYR TYR A . n A 1 224 ASP 224 222 222 ASP ASP A . n A 1 225 ASN 225 223 223 ASN ASN A . n A 1 226 LYS 226 224 224 LYS LYS A . n A 1 227 ASP 227 225 225 ASP ASP A . n A 1 228 LEU 228 226 226 LEU LEU A . n A 1 229 GLU 229 227 227 GLU GLU A . n A 1 230 CYS 230 228 228 CYS CYS A . n A 1 231 VAL 231 229 229 VAL VAL A . n A 1 232 THR 232 230 230 THR THR A . n A 1 233 ASN 233 231 231 ASN ASN A . n A 1 234 LEU 234 232 232 LEU LEU A . n A 1 235 GLN 235 233 233 GLN GLN A . n A 1 236 GLU 236 234 234 GLU GLU A . n A 1 237 VAL 237 235 235 VAL VAL A . n A 1 238 ALA 238 236 236 ALA ALA A . n A 1 239 ARG 239 237 237 ARG ARG A . n A 1 240 ILE 240 238 238 ILE ILE A . n A 1 241 VAL 241 239 239 VAL VAL A . n A 1 242 GLY 242 240 240 GLY GLY A . n A 1 243 ASN 243 241 241 ASN ASN A . n A 1 244 SER 244 242 242 SER SER A . n A 1 245 GLY 245 243 243 GLY GLY A . n A 1 246 LEU 246 244 244 LEU LEU A . n A 1 247 ASN 247 245 245 ASN ASN A . n A 1 248 ILE 248 246 246 ILE ILE A . n A 1 249 TYR 249 247 247 TYR TYR A . n A 1 250 ASN 250 248 248 ASN ASN A . n A 1 251 LEU 251 249 249 LEU LEU A . n A 1 252 TYR 252 250 250 TYR TYR A . n A 1 253 ALA 253 251 251 ALA ALA A . n A 1 254 PRO 254 252 252 PRO PRO A . n A 1 255 CYS 255 253 253 CYS CYS A . n A 1 256 ALA 256 254 254 ALA ALA A . n A 1 257 GLY 257 255 255 GLY GLY A . n A 1 258 GLY 258 256 256 GLY GLY A . n A 1 259 VAL 259 257 257 VAL VAL A . n A 1 260 PRO 260 258 258 PRO PRO A . n A 1 261 SER 261 259 259 SER SER A . n A 1 262 HIS 262 260 ? ? ? A . n A 1 263 PHE 263 261 ? ? ? A . n A 1 264 ARG 264 262 ? ? ? A . n A 1 265 TYR 265 263 ? ? ? A . n A 1 266 GLU 266 264 ? ? ? A . n A 1 267 LYS 267 265 ? ? ? A . n A 1 268 ASP 268 266 ? ? ? A . n A 1 269 THR 269 267 ? ? ? A . n A 1 270 VAL 270 268 ? ? ? A . n A 1 271 VAL 271 269 ? ? ? A . n A 1 272 VAL 272 270 ? ? ? A . n A 1 273 GLN 273 271 ? ? ? A . n A 1 274 ASP 274 272 ? ? ? A . n A 1 275 LEU 275 273 ? ? ? A . n A 1 276 GLY 276 274 ? ? ? A . n A 1 277 ASN 277 275 ? ? ? A . n A 1 278 ILE 278 276 ? ? ? A . n A 1 279 PHE 279 277 ? ? ? A . n A 1 280 THR 280 278 ? ? ? A . n A 1 281 ARG 281 279 ? ? ? A . n A 1 282 LEU 282 280 ? ? ? A . n A 1 283 PRO 283 281 ? ? ? A . n A 1 284 LEU 284 282 ? ? ? A . n A 1 285 LYS 285 283 ? ? ? A . n A 1 286 ARG 286 284 ? ? ? A . n A 1 287 MET 287 285 ? ? ? A . n A 1 288 TRP 288 286 ? ? ? A . n A 1 289 HIS 289 287 ? ? ? A . n A 1 290 GLN 290 288 ? ? ? A . n A 1 291 ALA 291 289 ? ? ? A . n A 1 292 LEU 292 290 ? ? ? A . n A 1 293 LEU 293 291 ? ? ? A . n A 1 294 ARG 294 292 ? ? ? A . n A 1 295 SER 295 293 ? ? ? A . n A 1 296 GLY 296 294 ? ? ? A . n A 1 297 ASP 297 295 ? ? ? A . n A 1 298 LYS 298 296 ? ? ? A . n A 1 299 VAL 299 297 ? ? ? A . n A 1 300 ARG 300 298 ? ? ? A . n A 1 301 MET 301 299 ? ? ? A . n A 1 302 ASP 302 300 300 ASP ASP A . n A 1 303 PRO 303 301 301 PRO PRO A . n A 1 304 PRO 304 302 302 PRO PRO A . n A 1 305 CYS 305 303 303 CYS CYS A . n A 1 306 THR 306 304 304 THR THR A . n A 1 307 ASN 307 305 305 ASN ASN A . n A 1 308 THR 308 306 306 THR THR A . n A 1 309 THR 309 307 307 THR THR A . n A 1 310 ALA 310 308 308 ALA ALA A . n A 1 311 ALA 311 309 309 ALA ALA A . n A 1 312 SER 312 310 310 SER SER A . n A 1 313 THR 313 311 311 THR THR A . n A 1 314 TYR 314 312 312 TYR TYR A . n A 1 315 LEU 315 313 313 LEU LEU A . n A 1 316 ASN 316 314 314 ASN ASN A . n A 1 317 ASN 317 315 315 ASN ASN A . n A 1 318 PRO 318 316 316 PRO PRO A . n A 1 319 TYR 319 317 317 TYR TYR A . n A 1 320 VAL 320 318 318 VAL VAL A . n A 1 321 ARG 321 319 319 ARG ARG A . n A 1 322 LYS 322 320 320 LYS LYS A . n A 1 323 ALA 323 321 321 ALA ALA A . n A 1 324 LEU 324 322 322 LEU LEU A . n A 1 325 ASN 325 323 323 ASN ASN A . n A 1 326 ILE 326 324 324 ILE ILE A . n A 1 327 PRO 327 325 325 PRO PRO A . n A 1 328 GLU 328 326 326 GLU GLU A . n A 1 329 GLN 329 327 327 GLN GLN A . n A 1 330 LEU 330 328 328 LEU LEU A . n A 1 331 PRO 331 329 329 PRO PRO A . n A 1 332 GLN 332 330 330 GLN GLN A . n A 1 333 TRP 333 331 331 TRP TRP A . n A 1 334 ASP 334 332 332 ASP ASP A . n A 1 335 MET 335 333 333 MET MET A . n A 1 336 CYS 336 334 334 CYS CYS A . n A 1 337 ASN 337 335 335 ASN ASN A . n A 1 338 PHE 338 336 336 PHE PHE A . n A 1 339 LEU 339 337 337 LEU LEU A . n A 1 340 VAL 340 338 338 VAL VAL A . n A 1 341 ASN 341 339 339 ASN ASN A . n A 1 342 LEU 342 340 340 LEU LEU A . n A 1 343 GLN 343 341 341 GLN GLN A . n A 1 344 TYR 344 342 342 TYR TYR A . n A 1 345 ARG 345 343 343 ARG ARG A . n A 1 346 ARG 346 344 344 ARG ARG A . n A 1 347 LEU 347 345 345 LEU LEU A . n A 1 348 TYR 348 346 346 TYR TYR A . n A 1 349 ARG 349 347 347 ARG ARG A . n A 1 350 SER 350 348 348 SER SER A . n A 1 351 MET 351 349 349 MET MET A . n A 1 352 ASN 352 350 350 ASN ASN A . n A 1 353 SER 353 351 351 SER SER A . n A 1 354 GLN 354 352 352 GLN GLN A . n A 1 355 TYR 355 353 353 TYR TYR A . n A 1 356 LEU 356 354 354 LEU LEU A . n A 1 357 LYS 357 355 355 LYS LYS A . n A 1 358 LEU 358 356 356 LEU LEU A . n A 1 359 LEU 359 357 357 LEU LEU A . n A 1 360 SER 360 358 358 SER SER A . n A 1 361 SER 361 359 359 SER SER A . n A 1 362 GLN 362 360 360 GLN GLN A . n A 1 363 LYS 363 361 361 LYS LYS A . n A 1 364 TYR 364 362 362 TYR TYR A . n A 1 365 GLN 365 363 363 GLN GLN A . n A 1 366 ILE 366 364 364 ILE ILE A . n A 1 367 LEU 367 365 365 LEU LEU A . n A 1 368 LEU 368 366 366 LEU LEU A . n A 1 369 TYR 369 367 367 TYR TYR A . n A 1 370 ASN 370 368 368 ASN ASN A . n A 1 371 GLY 371 369 369 GLY GLY A . n A 1 372 ASP 372 370 370 ASP ASP A . n A 1 373 VAL 373 371 371 VAL VAL A . n A 1 374 ASP 374 372 372 ASP ASP A . n A 1 375 MET 375 373 373 MET MET A . n A 1 376 ALA 376 374 374 ALA ALA A . n A 1 377 CYS 377 375 375 CYS CYS A . n A 1 378 ASN 378 376 376 ASN ASN A . n A 1 379 PHE 379 377 377 PHE PHE A . n A 1 380 MET 380 378 378 MET MET A . n A 1 381 GLY 381 379 379 GLY GLY A . n A 1 382 ASP 382 380 380 ASP ASP A . n A 1 383 GLU 383 381 381 GLU GLU A . n A 1 384 TRP 384 382 382 TRP TRP A . n A 1 385 PHE 385 383 383 PHE PHE A . n A 1 386 VAL 386 384 384 VAL VAL A . n A 1 387 ASP 387 385 385 ASP ASP A . n A 1 388 SER 388 386 386 SER SER A . n A 1 389 LEU 389 387 387 LEU LEU A . n A 1 390 ASN 390 388 388 ASN ASN A . n A 1 391 GLN 391 389 389 GLN GLN A . n A 1 392 LYS 392 390 390 LYS LYS A . n A 1 393 MET 393 391 391 MET MET A . n A 1 394 GLU 394 392 392 GLU GLU A . n A 1 395 VAL 395 393 393 VAL VAL A . n A 1 396 GLN 396 394 394 GLN GLN A . n A 1 397 ARG 397 395 395 ARG ARG A . n A 1 398 ARG 398 396 396 ARG ARG A . n A 1 399 PRO 399 397 397 PRO PRO A . n A 1 400 TRP 400 398 398 TRP TRP A . n A 1 401 LEU 401 399 399 LEU LEU A . n A 1 402 VAL 402 400 400 VAL VAL A . n A 1 403 LYS 403 401 401 LYS LYS A . n A 1 404 TYR 404 402 402 TYR TYR A . n A 1 405 GLY 405 403 403 GLY GLY A . n A 1 406 ASP 406 404 ? ? ? A . n A 1 407 SER 407 405 405 SER SER A . n A 1 408 GLY 408 406 406 GLY GLY A . n A 1 409 GLU 409 407 407 GLU GLU A . n A 1 410 GLN 410 408 408 GLN GLN A . n A 1 411 ILE 411 409 409 ILE ILE A . n A 1 412 ALA 412 410 410 ALA ALA A . n A 1 413 GLY 413 411 411 GLY GLY A . n A 1 414 PHE 414 412 412 PHE PHE A . n A 1 415 VAL 415 413 413 VAL VAL A . n A 1 416 LYS 416 414 414 LYS LYS A . n A 1 417 GLU 417 415 415 GLU GLU A . n A 1 418 PHE 418 416 416 PHE PHE A . n A 1 419 SER 419 417 417 SER SER A . n A 1 420 HIS 420 418 418 HIS HIS A . n A 1 421 ILE 421 419 419 ILE ILE A . n A 1 422 ALA 422 420 420 ALA ALA A . n A 1 423 PHE 423 421 421 PHE PHE A . n A 1 424 LEU 424 422 422 LEU LEU A . n A 1 425 THR 425 423 423 THR THR A . n A 1 426 ILE 426 424 424 ILE ILE A . n A 1 427 LYS 427 425 425 LYS LYS A . n A 1 428 GLY 428 426 426 GLY GLY A . n A 1 429 ALA 429 427 427 ALA ALA A . n A 1 430 GLY 430 428 428 GLY GLY A . n A 1 431 HIS 431 429 429 HIS HIS A . n A 1 432 MET 432 430 430 MET MET A . n A 1 433 VAL 433 431 431 VAL VAL A . n A 1 434 PRO 434 432 432 PRO PRO A . n A 1 435 THR 435 433 433 THR THR A . n A 1 436 ASP 436 434 434 ASP ASP A . n A 1 437 LYS 437 435 435 LYS LYS A . n A 1 438 PRO 438 436 436 PRO PRO A . n A 1 439 LEU 439 437 437 LEU LEU A . n A 1 440 ALA 440 438 438 ALA ALA A . n A 1 441 ALA 441 439 439 ALA ALA A . n A 1 442 PHE 442 440 440 PHE PHE A . n A 1 443 THR 443 441 441 THR THR A . n A 1 444 MET 444 442 442 MET MET A . n A 1 445 PHE 445 443 443 PHE PHE A . n A 1 446 SER 446 444 444 SER SER A . n A 1 447 ARG 447 445 445 ARG ARG A . n A 1 448 PHE 448 446 446 PHE PHE A . n A 1 449 LEU 449 447 447 LEU LEU A . n A 1 450 ASN 450 448 448 ASN ASN A . n A 1 451 LYS 451 449 449 LYS LYS A . n A 1 452 GLN 452 450 450 GLN GLN A . n A 1 453 PRO 453 451 451 PRO PRO A . n A 1 454 TYR 454 452 452 TYR TYR A . n A 1 455 GLU 455 453 453 GLU GLU 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 7UZ 1 1454 1454 7UZ 7UZ A . C 3 CD 1 1455 1455 CD CD A . D 3 CD 1 1456 1456 CD CD A . E 3 CD 1 1457 1457 CD CD A . F 3 CD 1 1458 1458 CD CD A . G 3 CD 1 1459 1459 CD CD A . H 4 NAG 1 3010 3010 NAG NAG A . I 4 NAG 2 3011 3011 NAG NAG A . J 4 NAG 1 3020 3020 NAG NAG A . K 4 NAG 2 3021 3021 NAG NAG A . L 5 HOH 1 2001 2001 HOH HOH A . L 5 HOH 2 2002 2002 HOH HOH A . L 5 HOH 3 2003 2003 HOH HOH A . L 5 HOH 4 2004 2004 HOH HOH A . L 5 HOH 5 2005 2005 HOH HOH A . L 5 HOH 6 2006 2006 HOH HOH A . L 5 HOH 7 2007 2007 HOH HOH A . L 5 HOH 8 2008 2008 HOH HOH A . L 5 HOH 9 2009 2009 HOH HOH A . L 5 HOH 10 2010 2010 HOH HOH A . L 5 HOH 11 2011 2011 HOH HOH A . L 5 HOH 12 2012 2012 HOH HOH A . L 5 HOH 13 2013 2013 HOH HOH A . L 5 HOH 14 2014 2014 HOH HOH A . L 5 HOH 15 2015 2015 HOH HOH A . L 5 HOH 16 2016 2016 HOH HOH A . L 5 HOH 17 2017 2017 HOH HOH A . L 5 HOH 18 2018 2018 HOH HOH A . L 5 HOH 19 2019 2019 HOH HOH A . L 5 HOH 20 2020 2020 HOH HOH A . L 5 HOH 21 2021 2021 HOH HOH A . L 5 HOH 22 2022 2022 HOH HOH A . L 5 HOH 23 2023 2023 HOH HOH A . L 5 HOH 24 2024 2024 HOH HOH A . L 5 HOH 25 2025 2025 HOH HOH A . L 5 HOH 26 2026 2026 HOH HOH A . L 5 HOH 27 2027 2027 HOH HOH A . L 5 HOH 28 2028 2028 HOH HOH A . L 5 HOH 29 2029 2029 HOH HOH A . L 5 HOH 30 2030 2030 HOH HOH A . L 5 HOH 31 2031 2031 HOH HOH A . L 5 HOH 32 2032 2032 HOH HOH A . L 5 HOH 33 2033 2033 HOH HOH A . L 5 HOH 34 2034 2034 HOH HOH A . L 5 HOH 35 2035 2035 HOH HOH A . L 5 HOH 36 2036 2036 HOH HOH A . L 5 HOH 37 2037 2037 HOH HOH A . L 5 HOH 38 2038 2038 HOH HOH A . L 5 HOH 39 2039 2039 HOH HOH A . L 5 HOH 40 2040 2040 HOH HOH A . L 5 HOH 41 2041 2041 HOH HOH A . L 5 HOH 42 2042 2042 HOH HOH A . L 5 HOH 43 2043 2043 HOH HOH A . L 5 HOH 44 2044 2044 HOH HOH A . L 5 HOH 45 2045 2045 HOH HOH A . L 5 HOH 46 2046 2046 HOH HOH A . L 5 HOH 47 2047 2047 HOH HOH A . L 5 HOH 48 2048 2048 HOH HOH A . L 5 HOH 49 2049 2049 HOH HOH A . L 5 HOH 50 2050 2050 HOH HOH A . L 5 HOH 51 2051 2051 HOH HOH A . L 5 HOH 52 2052 2052 HOH HOH A . L 5 HOH 53 2053 2053 HOH HOH A . L 5 HOH 54 2054 2054 HOH HOH A . L 5 HOH 55 2055 2055 HOH HOH A . L 5 HOH 56 2056 2056 HOH HOH A . L 5 HOH 57 2057 2057 HOH HOH A . L 5 HOH 58 2058 2058 HOH HOH A . L 5 HOH 59 2059 2059 HOH HOH A . L 5 HOH 60 2060 2060 HOH HOH A . L 5 HOH 61 2061 2061 HOH HOH A . L 5 HOH 62 2062 2062 HOH HOH A . L 5 HOH 63 2063 2063 HOH HOH A . L 5 HOH 64 2064 2064 HOH HOH A . L 5 HOH 65 2065 2065 HOH HOH A . L 5 HOH 66 2066 2066 HOH HOH A . L 5 HOH 67 2067 2067 HOH HOH A . L 5 HOH 68 2068 2068 HOH HOH A . L 5 HOH 69 2069 2069 HOH HOH A . L 5 HOH 70 2070 2070 HOH HOH A . L 5 HOH 71 2071 2071 HOH HOH A . L 5 HOH 72 2072 2072 HOH HOH A . L 5 HOH 73 2073 2073 HOH HOH A . L 5 HOH 74 2074 2074 HOH HOH A . L 5 HOH 75 2075 2075 HOH HOH A . L 5 HOH 76 2076 2076 HOH HOH A . L 5 HOH 77 2077 2077 HOH HOH A . L 5 HOH 78 2078 2078 HOH HOH A . L 5 HOH 79 2079 2079 HOH HOH A . L 5 HOH 80 2080 2080 HOH HOH A . L 5 HOH 81 2081 2081 HOH HOH A . L 5 HOH 82 2082 2082 HOH HOH A . L 5 HOH 83 2083 2083 HOH HOH A . L 5 HOH 84 2084 2084 HOH HOH A . L 5 HOH 85 2085 2085 HOH HOH A . L 5 HOH 86 2086 2086 HOH HOH A . L 5 HOH 87 2087 2087 HOH HOH A . L 5 HOH 88 2088 2088 HOH HOH A . L 5 HOH 89 2089 2089 HOH HOH A . L 5 HOH 90 2090 2090 HOH HOH A . L 5 HOH 91 2091 2091 HOH HOH A . L 5 HOH 92 2092 2092 HOH HOH A . L 5 HOH 93 2093 2093 HOH HOH A . L 5 HOH 94 2094 2094 HOH HOH A . L 5 HOH 95 2095 2095 HOH HOH A . L 5 HOH 96 2096 2096 HOH HOH A . L 5 HOH 97 2097 2097 HOH HOH A . L 5 HOH 98 2098 2098 HOH HOH A . L 5 HOH 99 2099 2099 HOH HOH A . L 5 HOH 100 2100 2100 HOH HOH A . L 5 HOH 101 2101 2101 HOH HOH A . L 5 HOH 102 2102 2102 HOH HOH A . L 5 HOH 103 2103 2103 HOH HOH A . L 5 HOH 104 2104 2104 HOH HOH A . L 5 HOH 105 2105 2105 HOH HOH A . L 5 HOH 106 2106 2106 HOH HOH A . L 5 HOH 107 2107 2107 HOH HOH A . L 5 HOH 108 2108 2108 HOH HOH A . L 5 HOH 109 2109 2109 HOH HOH A . L 5 HOH 110 2110 2110 HOH HOH A . L 5 HOH 111 2111 2111 HOH HOH A . L 5 HOH 112 2112 2112 HOH HOH A . L 5 HOH 113 2113 2113 HOH HOH A . L 5 HOH 114 2114 2114 HOH HOH A . L 5 HOH 115 2115 2115 HOH HOH A . L 5 HOH 116 2116 2116 HOH HOH A . L 5 HOH 117 2117 2117 HOH HOH A . L 5 HOH 118 2118 2118 HOH HOH A . L 5 HOH 119 2119 2119 HOH HOH A . L 5 HOH 120 2120 2120 HOH HOH A . L 5 HOH 121 2121 2121 HOH HOH A . L 5 HOH 122 2122 2122 HOH HOH A . L 5 HOH 123 2123 2123 HOH HOH A . L 5 HOH 124 2124 2124 HOH HOH A . L 5 HOH 125 2125 2125 HOH HOH A . L 5 HOH 126 2126 2126 HOH HOH A . L 5 HOH 127 2127 2127 HOH HOH A . L 5 HOH 128 2128 2128 HOH HOH A . L 5 HOH 129 2129 2129 HOH HOH A . L 5 HOH 130 2130 2130 HOH HOH A . L 5 HOH 131 2131 2131 HOH HOH A . L 5 HOH 132 2132 2132 HOH HOH A . L 5 HOH 133 2133 2133 HOH HOH A . L 5 HOH 134 2134 2134 HOH HOH A . L 5 HOH 135 2135 2135 HOH HOH A . L 5 HOH 136 2136 2136 HOH HOH A . L 5 HOH 137 2137 2137 HOH HOH A . L 5 HOH 138 2138 2138 HOH HOH A . L 5 HOH 139 2139 2139 HOH HOH A . L 5 HOH 140 2140 2140 HOH HOH A . L 5 HOH 141 2141 2141 HOH HOH A . L 5 HOH 142 2142 2142 HOH HOH A . L 5 HOH 143 2143 2143 HOH HOH A . L 5 HOH 144 2144 2144 HOH HOH A . L 5 HOH 145 2145 2145 HOH HOH A . L 5 HOH 146 2146 2146 HOH HOH A . L 5 HOH 147 2147 2147 HOH HOH A . L 5 HOH 148 2148 2148 HOH HOH A . L 5 HOH 149 2149 2149 HOH HOH A . L 5 HOH 150 2150 2150 HOH HOH A . L 5 HOH 151 2151 2151 HOH HOH A . L 5 HOH 152 2152 2152 HOH HOH A . L 5 HOH 153 2153 2153 HOH HOH A . L 5 HOH 154 2154 2154 HOH HOH A . L 5 HOH 155 2155 2155 HOH HOH A . L 5 HOH 156 2156 2156 HOH HOH A . L 5 HOH 157 2157 2157 HOH HOH A . L 5 HOH 158 2158 2158 HOH HOH A . L 5 HOH 159 2159 2159 HOH HOH A . L 5 HOH 160 2160 2160 HOH HOH A . L 5 HOH 161 2161 2161 HOH HOH A . L 5 HOH 162 2162 2162 HOH HOH A . L 5 HOH 163 2163 2163 HOH HOH A . L 5 HOH 164 2164 2164 HOH HOH A . L 5 HOH 165 2165 2165 HOH HOH A . L 5 HOH 166 2166 2166 HOH HOH A . L 5 HOH 167 2167 2167 HOH HOH A . L 5 HOH 168 2168 2168 HOH HOH A . L 5 HOH 169 2169 2169 HOH HOH A . L 5 HOH 170 2170 2170 HOH HOH A . L 5 HOH 171 2171 2171 HOH HOH A . L 5 HOH 172 2172 2172 HOH HOH A . L 5 HOH 173 2173 2173 HOH HOH A . L 5 HOH 174 2174 2174 HOH HOH A . L 5 HOH 175 2175 2175 HOH HOH A . L 5 HOH 176 2176 2176 HOH HOH A . L 5 HOH 177 2177 2177 HOH HOH A . L 5 HOH 178 2178 2178 HOH HOH A . L 5 HOH 179 2179 2179 HOH HOH A . L 5 HOH 180 2180 2180 HOH HOH A . L 5 HOH 181 2181 2181 HOH HOH A . L 5 HOH 182 2182 2182 HOH HOH A . L 5 HOH 183 2183 2183 HOH HOH A . L 5 HOH 184 2184 2184 HOH HOH A . L 5 HOH 185 2185 2185 HOH HOH A . L 5 HOH 186 2186 2186 HOH HOH A . L 5 HOH 187 2187 2187 HOH HOH A . L 5 HOH 188 2188 2188 HOH HOH A . L 5 HOH 189 2189 2189 HOH HOH A . L 5 HOH 190 2190 2190 HOH HOH A . L 5 HOH 191 2191 2191 HOH HOH A . L 5 HOH 192 2192 2192 HOH HOH A . L 5 HOH 193 2193 2193 HOH HOH A . L 5 HOH 194 2194 2194 HOH HOH A . L 5 HOH 195 2195 2195 HOH HOH A . L 5 HOH 196 2196 2196 HOH HOH A . L 5 HOH 197 2197 2197 HOH HOH A . L 5 HOH 198 2198 2198 HOH HOH A . L 5 HOH 199 2199 2199 HOH HOH A . L 5 HOH 200 2200 2200 HOH HOH A . L 5 HOH 201 2201 2201 HOH HOH A . L 5 HOH 202 2202 2202 HOH HOH A . L 5 HOH 203 2203 2203 HOH HOH A . L 5 HOH 204 2204 2204 HOH HOH A . L 5 HOH 205 2205 2205 HOH HOH A . L 5 HOH 206 2206 2206 HOH HOH A . L 5 HOH 207 2207 2207 HOH HOH A . L 5 HOH 208 2208 2208 HOH HOH A . L 5 HOH 209 2209 2209 HOH HOH A . L 5 HOH 210 2210 2210 HOH HOH A . L 5 HOH 211 2211 2211 HOH HOH A . L 5 HOH 212 2212 2212 HOH HOH A . L 5 HOH 213 2213 2213 HOH HOH A . L 5 HOH 214 2214 2214 HOH HOH A . L 5 HOH 215 2215 2215 HOH HOH A . L 5 HOH 216 2216 2216 HOH HOH A . L 5 HOH 217 2217 2217 HOH HOH A . L 5 HOH 218 2218 2218 HOH HOH A . L 5 HOH 219 2219 2219 HOH HOH A . L 5 HOH 220 2220 2220 HOH HOH A . L 5 HOH 221 2221 2221 HOH HOH A . L 5 HOH 222 2222 2222 HOH HOH A . L 5 HOH 223 2223 2223 HOH HOH A . L 5 HOH 224 2224 2224 HOH HOH A . L 5 HOH 225 2225 2225 HOH HOH A . L 5 HOH 226 2226 2226 HOH HOH A . L 5 HOH 227 2227 2227 HOH HOH A . L 5 HOH 228 2228 2228 HOH HOH A . L 5 HOH 229 2229 2229 HOH HOH A . L 5 HOH 230 2230 2230 HOH HOH A . L 5 HOH 231 2231 2231 HOH HOH A . L 5 HOH 232 2232 2232 HOH HOH A . L 5 HOH 233 2233 2233 HOH HOH A . L 5 HOH 234 2234 2234 HOH HOH A . L 5 HOH 235 2235 2235 HOH HOH A . L 5 HOH 236 2236 2236 HOH HOH A . L 5 HOH 237 2237 2237 HOH HOH A . L 5 HOH 238 2238 2238 HOH HOH A . L 5 HOH 239 2239 2239 HOH HOH A . L 5 HOH 240 2240 2240 HOH HOH A . L 5 HOH 241 2241 2241 HOH HOH A . L 5 HOH 242 2242 2242 HOH HOH A . L 5 HOH 243 2243 2243 HOH HOH A . L 5 HOH 244 2244 2244 HOH HOH A . L 5 HOH 245 2245 2245 HOH HOH A . L 5 HOH 246 2246 2246 HOH HOH A . L 5 HOH 247 2247 2247 HOH HOH A . L 5 HOH 248 2248 2248 HOH HOH A . L 5 HOH 249 2249 2249 HOH HOH A . L 5 HOH 250 2250 2250 HOH HOH A . L 5 HOH 251 2251 2251 HOH HOH A . L 5 HOH 252 2252 2252 HOH HOH A . L 5 HOH 253 2253 2253 HOH HOH A . L 5 HOH 254 2254 2254 HOH HOH A . L 5 HOH 255 2255 2255 HOH HOH A . L 5 HOH 256 2256 2256 HOH HOH A . L 5 HOH 257 2257 2257 HOH HOH A . L 5 HOH 258 2258 2258 HOH HOH A . L 5 HOH 259 2259 2259 HOH HOH A . L 5 HOH 260 2260 2260 HOH HOH A . L 5 HOH 261 2261 2261 HOH HOH A . L 5 HOH 262 2262 2262 HOH HOH A . L 5 HOH 263 2263 2263 HOH HOH A . L 5 HOH 264 2264 2264 HOH HOH A . L 5 HOH 265 2265 2265 HOH HOH A . L 5 HOH 266 2266 2266 HOH HOH A . L 5 HOH 267 2267 2267 HOH HOH A . L 5 HOH 268 2268 2268 HOH HOH A . L 5 HOH 269 2269 2269 HOH HOH A . L 5 HOH 270 2270 2270 HOH HOH A . L 5 HOH 271 2271 2271 HOH HOH A . L 5 HOH 272 2272 2272 HOH HOH A . L 5 HOH 273 2273 2273 HOH HOH A . L 5 HOH 274 2274 2274 HOH HOH A . L 5 HOH 275 2275 2275 HOH HOH A . L 5 HOH 276 2276 2276 HOH HOH A . L 5 HOH 277 2277 2277 HOH HOH A . L 5 HOH 278 2278 2278 HOH HOH A . L 5 HOH 279 2279 2279 HOH HOH A . L 5 HOH 280 2280 2280 HOH HOH A . L 5 HOH 281 2281 2281 HOH HOH A . L 5 HOH 282 2282 2282 HOH HOH A . L 5 HOH 283 2283 2283 HOH HOH A . L 5 HOH 284 2284 2284 HOH HOH A . L 5 HOH 285 2285 2285 HOH HOH A . L 5 HOH 286 2286 2286 HOH HOH A . L 5 HOH 287 2287 2287 HOH HOH A . L 5 HOH 288 2288 2288 HOH HOH A . L 5 HOH 289 2289 2289 HOH HOH A . L 5 HOH 290 2290 2290 HOH HOH A . L 5 HOH 291 2291 2291 HOH HOH A . L 5 HOH 292 2292 2292 HOH HOH A . L 5 HOH 293 2293 2293 HOH HOH A . L 5 HOH 294 2294 2294 HOH HOH A . L 5 HOH 295 2295 2295 HOH HOH A . L 5 HOH 296 2296 2296 HOH HOH A . L 5 HOH 297 2297 2297 HOH HOH A . L 5 HOH 298 2298 2298 HOH HOH A . L 5 HOH 299 2299 2299 HOH HOH A . L 5 HOH 300 2300 2300 HOH HOH A . L 5 HOH 301 2301 2301 HOH HOH A . L 5 HOH 302 2302 2302 HOH HOH A . L 5 HOH 303 2303 2303 HOH HOH A . L 5 HOH 304 2304 2304 HOH HOH A . L 5 HOH 305 2305 2305 HOH HOH A . L 5 HOH 306 2306 2306 HOH HOH A . L 5 HOH 307 2307 2307 HOH HOH A . L 5 HOH 308 2308 2308 HOH HOH A . L 5 HOH 309 2309 2309 HOH HOH A . L 5 HOH 310 2310 2310 HOH HOH A . L 5 HOH 311 2311 2311 HOH HOH A . L 5 HOH 312 2312 2312 HOH HOH A . L 5 HOH 313 2313 2313 HOH HOH A . L 5 HOH 314 2314 2314 HOH HOH A . L 5 HOH 315 2315 2315 HOH HOH A . L 5 HOH 316 2316 2316 HOH HOH A . L 5 HOH 317 2317 2317 HOH HOH A . L 5 HOH 318 2318 2318 HOH HOH A . L 5 HOH 319 2319 2319 HOH HOH A . L 5 HOH 320 2320 2320 HOH HOH A . L 5 HOH 321 2321 2321 HOH HOH A . L 5 HOH 322 2322 2322 HOH HOH A . L 5 HOH 323 2323 2323 HOH HOH A . L 5 HOH 324 2324 2324 HOH HOH A . L 5 HOH 325 2325 2325 HOH HOH A . L 5 HOH 326 2326 2326 HOH HOH A . L 5 HOH 327 2327 2327 HOH HOH A . L 5 HOH 328 2328 2328 HOH HOH A . L 5 HOH 329 2329 2329 HOH HOH A . L 5 HOH 330 2330 2330 HOH HOH A . L 5 HOH 331 2331 2331 HOH HOH A . L 5 HOH 332 2332 2332 HOH HOH A . L 5 HOH 333 2333 2333 HOH HOH A . L 5 HOH 334 2334 2334 HOH HOH A . L 5 HOH 335 2335 2335 HOH HOH A . L 5 HOH 336 2336 2336 HOH HOH A . L 5 HOH 337 2337 2337 HOH HOH A . L 5 HOH 338 2338 2338 HOH HOH A . L 5 HOH 339 2339 2339 HOH HOH A . L 5 HOH 340 2340 2340 HOH HOH A . L 5 HOH 341 2341 2341 HOH HOH A . L 5 HOH 342 2342 2342 HOH HOH A . L 5 HOH 343 2343 2343 HOH HOH A . L 5 HOH 344 2344 2344 HOH HOH A . L 5 HOH 345 2345 2345 HOH HOH A . L 5 HOH 346 2346 2346 HOH HOH A . L 5 HOH 347 2347 2347 HOH HOH A . L 5 HOH 348 2348 2348 HOH HOH A . L 5 HOH 349 2349 2349 HOH HOH A . L 5 HOH 350 2350 2350 HOH HOH A . L 5 HOH 351 2351 2351 HOH HOH A . L 5 HOH 352 2352 2352 HOH HOH A . L 5 HOH 353 2353 2353 HOH HOH A . L 5 HOH 354 2354 2354 HOH HOH A . L 5 HOH 355 2355 2355 HOH HOH A . L 5 HOH 356 2356 2356 HOH HOH A . L 5 HOH 357 2357 2357 HOH HOH A . L 5 HOH 358 2358 2358 HOH HOH A . L 5 HOH 359 2359 2359 HOH HOH A . L 5 HOH 360 2360 2360 HOH HOH A . L 5 HOH 361 2361 2361 HOH HOH A . L 5 HOH 362 2362 2362 HOH HOH A . L 5 HOH 363 2363 2363 HOH HOH A . L 5 HOH 364 2364 2364 HOH HOH A . L 5 HOH 365 2365 2365 HOH HOH A . L 5 HOH 366 2366 2366 HOH HOH A . L 5 HOH 367 2367 2367 HOH HOH A . L 5 HOH 368 2368 2368 HOH HOH A . L 5 HOH 369 2369 2369 HOH HOH A . L 5 HOH 370 2370 2370 HOH HOH A . L 5 HOH 371 2371 2371 HOH HOH A . L 5 HOH 372 2372 2372 HOH HOH A . L 5 HOH 373 2373 2373 HOH HOH A . L 5 HOH 374 2374 2374 HOH HOH A . L 5 HOH 375 2375 2375 HOH HOH A . L 5 HOH 376 2376 2376 HOH HOH A . L 5 HOH 377 2377 2377 HOH HOH A . L 5 HOH 378 2378 2378 HOH HOH A . L 5 HOH 379 2379 2379 HOH HOH A . L 5 HOH 380 2380 2380 HOH HOH A . L 5 HOH 381 2381 2381 HOH HOH A . L 5 HOH 382 2382 2382 HOH HOH A . L 5 HOH 383 2383 2383 HOH HOH A . L 5 HOH 384 2384 2384 HOH HOH A . L 5 HOH 385 2385 2385 HOH HOH A . L 5 HOH 386 2386 2386 HOH HOH A . L 5 HOH 387 2387 2387 HOH HOH A . L 5 HOH 388 2388 2388 HOH HOH A . L 5 HOH 389 2389 2389 HOH HOH A . L 5 HOH 390 2390 2390 HOH HOH A . L 5 HOH 391 2391 2391 HOH HOH A . L 5 HOH 392 2392 2392 HOH HOH A . L 5 HOH 393 2393 2393 HOH HOH A . L 5 HOH 394 2394 2394 HOH HOH A . L 5 HOH 395 2395 2395 HOH HOH A . L 5 HOH 396 2396 2396 HOH HOH A . L 5 HOH 397 2397 2397 HOH HOH A . L 5 HOH 398 2398 2398 HOH HOH A . L 5 HOH 399 2399 2399 HOH HOH A . L 5 HOH 400 2400 2400 HOH HOH A . L 5 HOH 401 2401 2401 HOH HOH A . L 5 HOH 402 2402 2402 HOH HOH A . L 5 HOH 403 2403 2403 HOH HOH A . L 5 HOH 404 2404 2404 HOH HOH A . L 5 HOH 405 2405 2405 HOH HOH A . L 5 HOH 406 2406 2406 HOH HOH A . L 5 HOH 407 2407 2407 HOH HOH A . L 5 HOH 408 2408 2408 HOH HOH A . L 5 HOH 409 2409 2409 HOH HOH A . L 5 HOH 410 2410 2410 HOH HOH A . L 5 HOH 411 2411 2411 HOH HOH A . L 5 HOH 412 2412 2412 HOH HOH A . L 5 HOH 413 2413 2413 HOH HOH A . L 5 HOH 414 2414 2414 HOH HOH A . L 5 HOH 415 2415 2415 HOH HOH A . L 5 HOH 416 2416 2416 HOH HOH A . L 5 HOH 417 2417 2417 HOH HOH A . L 5 HOH 418 2418 2418 HOH HOH A . L 5 HOH 419 2419 2419 HOH HOH A . L 5 HOH 420 2420 2420 HOH HOH A . L 5 HOH 421 2421 2421 HOH HOH A . L 5 HOH 422 2422 2422 HOH HOH A . L 5 HOH 423 2423 2423 HOH HOH A . L 5 HOH 424 2424 2424 HOH HOH A . L 5 HOH 425 2425 2425 HOH HOH A . L 5 HOH 426 2426 2426 HOH HOH A . L 5 HOH 427 2427 2427 HOH HOH A . L 5 HOH 428 2428 2428 HOH HOH A . L 5 HOH 429 2429 2429 HOH HOH A . L 5 HOH 430 2430 2430 HOH HOH A . L 5 HOH 431 2431 2431 HOH HOH A . L 5 HOH 432 2432 2432 HOH HOH A . L 5 HOH 433 2433 2433 HOH HOH A . L 5 HOH 434 2434 2434 HOH HOH A . L 5 HOH 435 2435 2435 HOH HOH A . L 5 HOH 436 2436 2436 HOH HOH A . L 5 HOH 437 2437 2437 HOH HOH A . L 5 HOH 438 2438 2438 HOH HOH A . L 5 HOH 439 2439 2439 HOH HOH A . L 5 HOH 440 2440 2440 HOH HOH A . L 5 HOH 441 2441 2441 HOH HOH A . L 5 HOH 442 2442 2442 HOH HOH A . L 5 HOH 443 2443 2443 HOH HOH A . L 5 HOH 444 2444 2444 HOH HOH A . L 5 HOH 445 2445 2445 HOH HOH A . L 5 HOH 446 2446 2446 HOH HOH A . L 5 HOH 447 2447 2447 HOH HOH A . L 5 HOH 448 2448 2448 HOH HOH A . L 5 HOH 449 2449 2449 HOH HOH A . L 5 HOH 450 2450 2450 HOH HOH A . L 5 HOH 451 2451 2451 HOH HOH A . L 5 HOH 452 2452 2452 HOH HOH A . L 5 HOH 453 2453 2453 HOH HOH A . L 5 HOH 454 2454 2454 HOH HOH A . L 5 HOH 455 2455 2455 HOH HOH A . L 5 HOH 456 2456 2456 HOH HOH A . L 5 HOH 457 2457 2457 HOH HOH A . L 5 HOH 458 2458 2458 HOH HOH A . L 5 HOH 459 2459 2459 HOH HOH A . L 5 HOH 460 2460 2460 HOH HOH A . L 5 HOH 461 2461 2461 HOH HOH A . L 5 HOH 462 2462 2462 HOH HOH A . L 5 HOH 463 2463 2463 HOH HOH A . L 5 HOH 464 2464 2464 HOH HOH A . L 5 HOH 465 2465 2465 HOH HOH A . L 5 HOH 466 2466 2466 HOH HOH A . L 5 HOH 467 2467 2467 HOH HOH A . L 5 HOH 468 2468 2468 HOH HOH A . L 5 HOH 469 2469 2469 HOH HOH A . L 5 HOH 470 2470 2470 HOH HOH A . L 5 HOH 471 2471 2471 HOH HOH A . L 5 HOH 472 2472 2472 HOH HOH A . L 5 HOH 473 2473 2473 HOH HOH A . L 5 HOH 474 2474 2474 HOH HOH A . L 5 HOH 475 2475 2475 HOH HOH A . L 5 HOH 476 2476 2476 HOH HOH A . L 5 HOH 477 2477 2477 HOH HOH A . L 5 HOH 478 2478 2478 HOH HOH A . L 5 HOH 479 2479 2479 HOH HOH A . L 5 HOH 480 2480 2480 HOH HOH A . L 5 HOH 481 2481 2481 HOH HOH A . L 5 HOH 482 2482 2482 HOH HOH A . L 5 HOH 483 2483 2483 HOH HOH A . L 5 HOH 484 2484 2484 HOH HOH A . L 5 HOH 485 2485 2485 HOH HOH A . L 5 HOH 486 2486 2486 HOH HOH A . L 5 HOH 487 2487 2487 HOH HOH A . L 5 HOH 488 2488 2488 HOH HOH A . L 5 HOH 489 2489 2489 HOH HOH A . L 5 HOH 490 2490 2490 HOH HOH A . L 5 HOH 491 2491 2491 HOH HOH A . L 5 HOH 492 2492 2492 HOH HOH A . L 5 HOH 493 2493 2493 HOH HOH A . L 5 HOH 494 2494 2494 HOH HOH A . L 5 HOH 495 2495 2495 HOH HOH A . L 5 HOH 496 2496 2496 HOH HOH A . L 5 HOH 497 2497 2497 HOH HOH A . L 5 HOH 498 2498 2498 HOH HOH A . L 5 HOH 499 2499 2499 HOH HOH A . L 5 HOH 500 2500 2500 HOH HOH A . L 5 HOH 501 2501 2501 HOH HOH A . L 5 HOH 502 2502 2502 HOH HOH A . L 5 HOH 503 2503 2503 HOH HOH A . L 5 HOH 504 2504 2504 HOH HOH A . L 5 HOH 505 2505 2505 HOH HOH A . L 5 HOH 506 2506 2506 HOH HOH A . L 5 HOH 507 2507 2507 HOH HOH A . L 5 HOH 508 2508 2508 HOH HOH A . L 5 HOH 509 2509 2509 HOH HOH A . L 5 HOH 510 2510 2510 HOH HOH A . L 5 HOH 511 2511 2511 HOH HOH A . L 5 HOH 512 2512 2512 HOH HOH A . L 5 HOH 513 2513 2513 HOH HOH A . L 5 HOH 514 2514 2514 HOH HOH A . L 5 HOH 515 2515 2515 HOH HOH A . L 5 HOH 516 2516 2516 HOH HOH A . L 5 HOH 517 2517 2517 HOH HOH A . L 5 HOH 518 2518 2518 HOH HOH A . L 5 HOH 519 2519 2519 HOH HOH A . L 5 HOH 520 2520 2520 HOH HOH A . L 5 HOH 521 2521 2521 HOH HOH A . L 5 HOH 522 2522 2522 HOH HOH A . L 5 HOH 523 2523 2523 HOH HOH A . L 5 HOH 524 2524 2524 HOH HOH A . L 5 HOH 525 2525 2525 HOH HOH A . L 5 HOH 526 2526 2526 HOH HOH A . L 5 HOH 527 2527 2527 HOH HOH A . L 5 HOH 528 2528 2528 HOH HOH A . L 5 HOH 529 2529 2529 HOH HOH A . L 5 HOH 530 2530 2530 HOH HOH A . L 5 HOH 531 2531 2531 HOH HOH A . L 5 HOH 532 2532 2532 HOH HOH A . L 5 HOH 533 2533 2533 HOH HOH A . L 5 HOH 534 2534 2534 HOH HOH A . L 5 HOH 535 2535 2535 HOH HOH A . L 5 HOH 536 2536 2536 HOH HOH A . L 5 HOH 537 2537 2537 HOH HOH A . L 5 HOH 538 2538 2538 HOH HOH A . L 5 HOH 539 2539 2539 HOH HOH A . L 5 HOH 540 2540 2540 HOH HOH A . L 5 HOH 541 2541 2541 HOH HOH A . L 5 HOH 542 2542 2542 HOH HOH A . L 5 HOH 543 2543 2543 HOH HOH A . L 5 HOH 544 2544 2544 HOH HOH A . L 5 HOH 545 2545 2545 HOH HOH A . L 5 HOH 546 2546 2546 HOH HOH A . L 5 HOH 547 2547 2547 HOH HOH A . L 5 HOH 548 2548 2548 HOH HOH A . L 5 HOH 549 2549 2549 HOH HOH A . L 5 HOH 550 2550 2550 HOH HOH A . L 5 HOH 551 2551 2551 HOH HOH A . L 5 HOH 552 2552 2552 HOH HOH A . L 5 HOH 553 2553 2553 HOH HOH A . L 5 HOH 554 2554 2554 HOH HOH A . L 5 HOH 555 2555 2555 HOH HOH A . L 5 HOH 556 2556 2556 HOH HOH A . L 5 HOH 557 2557 2557 HOH HOH A . L 5 HOH 558 2558 2558 HOH HOH A . L 5 HOH 559 2559 2559 HOH HOH A . L 5 HOH 560 2560 2560 HOH HOH A . L 5 HOH 561 2561 2561 HOH HOH A . L 5 HOH 562 2562 2562 HOH HOH A . L 5 HOH 563 2563 2563 HOH HOH A . L 5 HOH 564 2564 2564 HOH HOH A . L 5 HOH 565 2565 2565 HOH HOH A . L 5 HOH 566 2566 2566 HOH HOH A . L 5 HOH 567 2567 2567 HOH HOH A . L 5 HOH 568 2568 2568 HOH HOH A . L 5 HOH 569 2569 2569 HOH HOH A . L 5 HOH 570 2570 2570 HOH HOH A . L 5 HOH 571 2571 2571 HOH HOH A . L 5 HOH 572 2572 2572 HOH HOH A . L 5 HOH 573 2573 2573 HOH HOH A . L 5 HOH 574 2574 2574 HOH HOH A . L 5 HOH 575 2575 2575 HOH HOH A . L 5 HOH 576 2576 2576 HOH HOH A . L 5 HOH 577 2577 2577 HOH HOH A . L 5 HOH 578 2578 2578 HOH HOH A . L 5 HOH 579 2579 2579 HOH HOH A . L 5 HOH 580 2580 2580 HOH HOH A . L 5 HOH 581 2581 2581 HOH HOH A . L 5 HOH 582 2582 2582 HOH HOH A . L 5 HOH 583 2583 2583 HOH HOH A . L 5 HOH 584 2584 2584 HOH HOH A . L 5 HOH 585 2585 2585 HOH HOH A . L 5 HOH 586 2586 2586 HOH HOH A . L 5 HOH 587 2587 2587 HOH HOH A . L 5 HOH 588 2588 2588 HOH HOH A . L 5 HOH 589 2589 2589 HOH HOH A . L 5 HOH 590 2590 2590 HOH HOH A . L 5 HOH 591 2591 2591 HOH HOH A . L 5 HOH 592 2592 2592 HOH HOH A . L 5 HOH 593 2593 2593 HOH HOH A . L 5 HOH 594 2594 2594 HOH HOH A . L 5 HOH 595 2595 2595 HOH HOH A . L 5 HOH 596 2596 2596 HOH HOH A . L 5 HOH 597 2597 2597 HOH HOH A . L 5 HOH 598 2598 2598 HOH HOH A . L 5 HOH 599 2599 2599 HOH HOH A . L 5 HOH 600 2600 2600 HOH HOH A . L 5 HOH 601 2601 2601 HOH HOH A . L 5 HOH 602 2602 2602 HOH HOH A . L 5 HOH 603 2603 2603 HOH HOH A . L 5 HOH 604 2604 2604 HOH HOH A . L 5 HOH 605 2605 2605 HOH HOH A . L 5 HOH 606 2606 2606 HOH HOH A . L 5 HOH 607 2607 2607 HOH HOH A . L 5 HOH 608 2608 2608 HOH HOH A . L 5 HOH 609 2609 2609 HOH HOH A . L 5 HOH 610 2610 2610 HOH HOH A . L 5 HOH 611 2611 2611 HOH HOH A . L 5 HOH 612 2612 2612 HOH HOH A . L 5 HOH 613 2613 2613 HOH HOH A . L 5 HOH 614 2614 2614 HOH HOH A . L 5 HOH 615 2615 2615 HOH HOH A . L 5 HOH 616 2616 2616 HOH HOH A . L 5 HOH 617 2617 2617 HOH HOH A . L 5 HOH 618 2618 2618 HOH HOH A . L 5 HOH 619 2619 2619 HOH HOH A . L 5 HOH 620 2620 2620 HOH HOH A . L 5 HOH 621 2621 2621 HOH HOH A . L 5 HOH 622 2622 2622 HOH HOH A . L 5 HOH 623 2623 2623 HOH HOH A . L 5 HOH 624 2624 2624 HOH HOH A . L 5 HOH 625 2625 2625 HOH HOH A . L 5 HOH 626 2626 2626 HOH HOH A . L 5 HOH 627 2627 2627 HOH HOH A . L 5 HOH 628 2628 2628 HOH HOH A . L 5 HOH 629 2629 2629 HOH HOH A . L 5 HOH 630 2630 2630 HOH HOH A . L 5 HOH 631 2631 2631 HOH HOH A . L 5 HOH 632 2632 2632 HOH HOH A . L 5 HOH 633 2633 2633 HOH HOH A . L 5 HOH 634 2634 2634 HOH HOH A . L 5 HOH 635 2635 2635 HOH HOH A . L 5 HOH 636 2636 2636 HOH HOH A . L 5 HOH 637 2637 2637 HOH HOH A . L 5 HOH 638 2638 2638 HOH HOH A . L 5 HOH 639 2639 2639 HOH HOH A . L 5 HOH 640 2640 2640 HOH HOH A . L 5 HOH 641 2641 2641 HOH HOH A . L 5 HOH 642 2642 2642 HOH HOH A . L 5 HOH 643 2643 2643 HOH HOH A . L 5 HOH 644 2644 2644 HOH HOH A . L 5 HOH 645 2645 2645 HOH HOH A . L 5 HOH 646 2646 2646 HOH HOH A . L 5 HOH 647 2647 2647 HOH HOH A . L 5 HOH 648 2648 2648 HOH HOH A . L 5 HOH 649 2649 2649 HOH HOH A . L 5 HOH 650 2650 2650 HOH HOH A . L 5 HOH 651 2651 2651 HOH HOH A . L 5 HOH 652 2652 2652 HOH HOH A . L 5 HOH 653 2653 2653 HOH HOH A . L 5 HOH 654 2654 2654 HOH HOH A . L 5 HOH 655 2655 2655 HOH HOH A . L 5 HOH 656 2656 2656 HOH HOH A . L 5 HOH 657 2657 2657 HOH HOH A . L 5 HOH 658 2658 2658 HOH HOH A . L 5 HOH 659 2659 2659 HOH HOH A . L 5 HOH 660 2660 2660 HOH HOH A . L 5 HOH 661 2661 2661 HOH HOH A . L 5 HOH 662 2662 2662 HOH HOH A . L 5 HOH 663 2663 2663 HOH HOH A . L 5 HOH 664 2664 2664 HOH HOH A . L 5 HOH 665 2665 2665 HOH HOH A . L 5 HOH 666 2666 2666 HOH HOH A . L 5 HOH 667 2667 2667 HOH HOH A . L 5 HOH 668 2668 2668 HOH HOH A . L 5 HOH 669 2669 2669 HOH HOH A . L 5 HOH 670 2670 2670 HOH HOH A . L 5 HOH 671 2671 2671 HOH HOH A . L 5 HOH 672 2672 2672 HOH HOH A . L 5 HOH 673 2673 2673 HOH HOH A . L 5 HOH 674 2674 2674 HOH HOH A . L 5 HOH 675 2675 2675 HOH HOH A . L 5 HOH 676 2676 2676 HOH HOH A . L 5 HOH 677 2677 2677 HOH HOH A . L 5 HOH 678 2678 2678 HOH HOH A . L 5 HOH 679 2679 2679 HOH HOH A . L 5 HOH 680 2680 2680 HOH HOH A . L 5 HOH 681 2681 2681 HOH HOH A . L 5 HOH 682 2682 2682 HOH HOH A . L 5 HOH 683 2683 2683 HOH HOH A . L 5 HOH 684 2684 2684 HOH HOH A . L 5 HOH 685 2685 2685 HOH HOH A . L 5 HOH 686 2686 2686 HOH HOH A . L 5 HOH 687 2687 2687 HOH HOH A . L 5 HOH 688 2688 2688 HOH HOH A . L 5 HOH 689 2689 2689 HOH HOH A . L 5 HOH 690 2690 2690 HOH HOH A . L 5 HOH 691 2691 2691 HOH HOH A . L 5 HOH 692 2692 2692 HOH HOH A . L 5 HOH 693 2693 2693 HOH HOH A . L 5 HOH 694 2694 2694 HOH HOH A . L 5 HOH 695 2695 2695 HOH HOH A . L 5 HOH 696 2696 2696 HOH HOH A . L 5 HOH 697 2697 2697 HOH HOH A . L 5 HOH 698 2698 2698 HOH HOH A . L 5 HOH 699 2699 2699 HOH HOH A . L 5 HOH 700 2700 2700 HOH HOH A . L 5 HOH 701 2701 2701 HOH HOH A . L 5 HOH 702 2702 2702 HOH HOH A . L 5 HOH 703 2703 2703 HOH HOH A . L 5 HOH 704 2704 2704 HOH HOH A . L 5 HOH 705 2705 2705 HOH HOH A . L 5 HOH 706 2706 2706 HOH HOH A . L 5 HOH 707 2707 2707 HOH HOH A . L 5 HOH 708 2708 2708 HOH HOH A . L 5 HOH 709 2709 2709 HOH HOH A . L 5 HOH 710 2710 2710 HOH HOH A . L 5 HOH 711 2711 2711 HOH HOH A . L 5 HOH 712 2712 2712 HOH HOH A . L 5 HOH 713 2713 2713 HOH HOH A . L 5 HOH 714 2714 2714 HOH HOH A . L 5 HOH 715 2715 2715 HOH HOH A . L 5 HOH 716 2716 2716 HOH HOH A . L 5 HOH 717 2717 2717 HOH HOH A . L 5 HOH 718 2718 2718 HOH HOH A . L 5 HOH 719 2719 2719 HOH HOH A . L 5 HOH 720 2720 2720 HOH HOH A . L 5 HOH 721 2721 2721 HOH HOH A . L 5 HOH 722 2722 2722 HOH HOH A . L 5 HOH 723 2723 2723 HOH HOH A . L 5 HOH 724 2724 2724 HOH HOH A . L 5 HOH 725 2725 2725 HOH HOH A . L 5 HOH 726 2726 2726 HOH HOH A . L 5 HOH 727 2727 2727 HOH HOH A . L 5 HOH 728 2728 2728 HOH HOH A . L 5 HOH 729 2729 2729 HOH HOH A . L 5 HOH 730 2730 2730 HOH HOH A . L 5 HOH 731 2731 2731 HOH HOH A . L 5 HOH 732 2732 2732 HOH HOH A . L 5 HOH 733 2733 2733 HOH HOH A . L 5 HOH 734 2734 2734 HOH HOH A . L 5 HOH 735 2735 2735 HOH HOH A . L 5 HOH 736 2736 2736 HOH HOH A . L 5 HOH 737 2737 2737 HOH HOH A . L 5 HOH 738 2738 2738 HOH HOH A . L 5 HOH 739 2739 2739 HOH HOH A . L 5 HOH 740 2740 2740 HOH HOH A . L 5 HOH 741 2741 2741 HOH HOH A . L 5 HOH 742 2742 2742 HOH HOH A . L 5 HOH 743 2743 2743 HOH HOH A . L 5 HOH 744 2744 2744 HOH HOH A . L 5 HOH 745 2745 2745 HOH HOH A . L 5 HOH 746 2746 2746 HOH HOH A . L 5 HOH 747 2747 2747 HOH HOH A . L 5 HOH 748 2748 2748 HOH HOH A . L 5 HOH 749 2749 2749 HOH HOH A . L 5 HOH 750 2750 2750 HOH HOH A . L 5 HOH 751 2751 2751 HOH HOH A . L 5 HOH 752 2752 2752 HOH HOH A . L 5 HOH 753 2753 2753 HOH HOH A . L 5 HOH 754 2754 2754 HOH HOH A . L 5 HOH 755 2755 2755 HOH HOH A . L 5 HOH 756 2756 2756 HOH HOH A . L 5 HOH 757 2757 2757 HOH HOH A . L 5 HOH 758 2758 2758 HOH HOH A . L 5 HOH 759 2759 2759 HOH HOH A . L 5 HOH 760 2760 2760 HOH HOH A . L 5 HOH 761 2761 2761 HOH HOH A . L 5 HOH 762 2762 2762 HOH HOH A . L 5 HOH 763 2763 2763 HOH HOH A . L 5 HOH 764 2764 2764 HOH HOH A . L 5 HOH 765 2765 2765 HOH HOH A . L 5 HOH 766 2766 2766 HOH HOH A . L 5 HOH 767 2767 2767 HOH HOH A . L 5 HOH 768 2768 2768 HOH HOH A . L 5 HOH 769 2769 2769 HOH HOH A . L 5 HOH 770 2770 2770 HOH HOH A . L 5 HOH 771 2771 2771 HOH HOH A . L 5 HOH 772 2772 2772 HOH HOH A . L 5 HOH 773 2773 2773 HOH HOH A . L 5 HOH 774 2774 2774 HOH HOH A . L 5 HOH 775 2775 2775 HOH HOH A . L 5 HOH 776 2776 2776 HOH HOH A . L 5 HOH 777 2777 2777 HOH HOH A . L 5 HOH 778 2778 2778 HOH HOH A . L 5 HOH 779 2779 2779 HOH HOH A . L 5 HOH 780 2780 2780 HOH HOH A . L 5 HOH 781 2781 2781 HOH HOH A . L 5 HOH 782 2782 2782 HOH HOH A . L 5 HOH 783 2783 2783 HOH HOH A . L 5 HOH 784 2784 2784 HOH HOH A . L 5 HOH 785 2785 2785 HOH HOH A . L 5 HOH 786 2786 2786 HOH HOH A . L 5 HOH 787 2787 2787 HOH HOH A . L 5 HOH 788 2788 2788 HOH HOH A . L 5 HOH 789 2789 2789 HOH HOH A . L 5 HOH 790 2790 2790 HOH HOH A . L 5 HOH 791 2791 2791 HOH HOH A . L 5 HOH 792 2792 2792 HOH HOH A . L 5 HOH 793 2793 2793 HOH HOH A . L 5 HOH 794 2794 2794 HOH HOH A . L 5 HOH 795 2795 2795 HOH HOH A . L 5 HOH 796 2796 2796 HOH HOH A . L 5 HOH 797 2797 2797 HOH HOH A . L 5 HOH 798 2798 2798 HOH HOH A . L 5 HOH 799 2799 2799 HOH HOH A . L 5 HOH 800 2800 2800 HOH HOH A . L 5 HOH 801 2801 2801 HOH HOH A . L 5 HOH 802 2802 2802 HOH HOH A . L 5 HOH 803 2803 2803 HOH HOH A . L 5 HOH 804 2804 2804 HOH HOH A . L 5 HOH 805 2805 2805 HOH HOH A . L 5 HOH 806 2806 2806 HOH HOH A . L 5 HOH 807 2807 2807 HOH HOH A . L 5 HOH 808 2808 2808 HOH HOH A . L 5 HOH 809 2809 2809 HOH HOH A . L 5 HOH 810 2810 2810 HOH HOH A . L 5 HOH 811 2811 2811 HOH HOH A . L 5 HOH 812 2812 2812 HOH HOH A . L 5 HOH 813 2813 2813 HOH HOH A . L 5 HOH 814 2814 2814 HOH HOH A . L 5 HOH 815 2815 2815 HOH HOH A . L 5 HOH 816 2816 2816 HOH HOH A . L 5 HOH 817 2817 2817 HOH HOH A . L 5 HOH 818 2818 2818 HOH HOH A . L 5 HOH 819 2819 2819 HOH HOH A . L 5 HOH 820 2820 2820 HOH HOH A . L 5 HOH 821 2821 2821 HOH HOH A . L 5 HOH 822 2822 2822 HOH HOH A . L 5 HOH 823 2823 2823 HOH HOH A . L 5 HOH 824 2824 2824 HOH HOH A . L 5 HOH 825 2825 2825 HOH HOH A . L 5 HOH 826 2826 2826 HOH HOH A . L 5 HOH 827 2827 2827 HOH HOH A . L 5 HOH 828 2828 2828 HOH HOH A . L 5 HOH 829 2829 2829 HOH HOH A . L 5 HOH 830 2830 2830 HOH HOH A . L 5 HOH 831 2831 2831 HOH HOH A . L 5 HOH 832 2832 2832 HOH HOH A . L 5 HOH 833 2833 2833 HOH HOH A . L 5 HOH 834 2834 2834 HOH HOH A . L 5 HOH 835 2835 2835 HOH HOH A . L 5 HOH 836 2836 2836 HOH HOH A . L 5 HOH 837 2837 2837 HOH HOH A . L 5 HOH 838 2838 2838 HOH HOH A . L 5 HOH 839 2839 2839 HOH HOH A . L 5 HOH 840 2840 2840 HOH HOH A . L 5 HOH 841 2841 2841 HOH HOH A . L 5 HOH 842 2842 2842 HOH HOH A . L 5 HOH 843 2843 2843 HOH HOH A . L 5 HOH 844 2844 2844 HOH HOH A . L 5 HOH 845 2845 2845 HOH HOH A . L 5 HOH 846 2846 2846 HOH HOH A . L 5 HOH 847 2847 2847 HOH HOH A . L 5 HOH 848 2848 2848 HOH HOH A . L 5 HOH 849 2849 2849 HOH HOH A . L 5 HOH 850 2850 2850 HOH HOH A . L 5 HOH 851 2851 2851 HOH HOH A . L 5 HOH 852 2852 2852 HOH HOH A . L 5 HOH 853 2853 2853 HOH HOH A . L 5 HOH 854 2854 2854 HOH HOH A . L 5 HOH 855 2855 2855 HOH HOH A . L 5 HOH 856 2856 2856 HOH HOH A . L 5 HOH 857 2857 2857 HOH HOH A . L 5 HOH 858 2858 2858 HOH HOH A . L 5 HOH 859 2859 2859 HOH HOH A . L 5 HOH 860 2860 2860 HOH HOH A . L 5 HOH 861 2861 2861 HOH HOH A . L 5 HOH 862 2862 2862 HOH HOH A . L 5 HOH 863 2863 2863 HOH HOH A . L 5 HOH 864 2864 2864 HOH HOH A . L 5 HOH 865 2865 2865 HOH HOH A . L 5 HOH 866 2866 2866 HOH HOH A . L 5 HOH 867 2867 2867 HOH HOH A . L 5 HOH 868 2868 2868 HOH HOH A . L 5 HOH 869 2869 2869 HOH HOH A . L 5 HOH 870 2870 2870 HOH HOH A . L 5 HOH 871 2871 2871 HOH HOH A . L 5 HOH 872 2872 2872 HOH HOH A . L 5 HOH 873 2873 2873 HOH HOH A . L 5 HOH 874 2874 2874 HOH HOH A . L 5 HOH 875 2875 2875 HOH HOH A . L 5 HOH 876 2876 2876 HOH HOH A . L 5 HOH 877 2877 2877 HOH HOH A . L 5 HOH 878 2878 2878 HOH HOH A . L 5 HOH 879 2879 2879 HOH HOH A . L 5 HOH 880 2880 2880 HOH HOH A . L 5 HOH 881 2881 2881 HOH HOH A . L 5 HOH 882 2882 2882 HOH HOH A . L 5 HOH 883 2883 2883 HOH HOH A . L 5 HOH 884 2884 2884 HOH HOH A . L 5 HOH 885 2885 2885 HOH HOH A . L 5 HOH 886 2886 2886 HOH HOH A . L 5 HOH 887 2887 2887 HOH HOH A . L 5 HOH 888 2888 2888 HOH HOH A . L 5 HOH 889 2889 2889 HOH HOH A . L 5 HOH 890 2890 2890 HOH HOH A . L 5 HOH 891 2891 2891 HOH HOH A . L 5 HOH 892 2892 2892 HOH HOH A . L 5 HOH 893 2893 2893 HOH HOH A . L 5 HOH 894 2894 2894 HOH HOH A . L 5 HOH 895 2895 2895 HOH HOH A . L 5 HOH 896 2896 2896 HOH HOH A . L 5 HOH 897 2897 2897 HOH HOH A . L 5 HOH 898 2898 2898 HOH HOH A . L 5 HOH 899 2899 2899 HOH HOH A . L 5 HOH 900 2900 2900 HOH HOH A . L 5 HOH 901 2901 2901 HOH HOH A . L 5 HOH 902 2902 2902 HOH HOH A . L 5 HOH 903 2903 2903 HOH HOH A . L 5 HOH 904 2904 2904 HOH HOH A . L 5 HOH 905 2905 2905 HOH HOH A . L 5 HOH 906 2906 2906 HOH HOH A . L 5 HOH 907 2907 2907 HOH HOH A . L 5 HOH 908 2908 2908 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 119 A ASN 117 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 307 A ASN 305 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 6650 ? 1 MORE -53.7 ? 1 'SSA (A^2)' 32770 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_455 -x-1,y,-z -1.0000000000 0.0000000000 0.0000000000 -89.6490000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A HOH 2181 ? L HOH . 2 1 A HOH 2308 ? L HOH . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OE1 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 OE2 ? A GLU 328 ? A GLU 326 ? 4_456 49.0 ? 2 OE1 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 O ? L HOH . ? A HOH 2513 ? 1_555 84.2 ? 3 OE2 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 O ? L HOH . ? A HOH 2513 ? 1_555 133.1 ? 4 OE1 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 O ? L HOH . ? A HOH 2575 ? 1_555 78.0 ? 5 OE2 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 O ? L HOH . ? A HOH 2575 ? 1_555 84.0 ? 6 O ? L HOH . ? A HOH 2513 ? 1_555 CD ? C CD . ? A CD 1455 ? 1_555 O ? L HOH . ? A HOH 2575 ? 1_555 84.7 ? 7 OE1 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 O ? L HOH . ? A HOH 2583 ? 1_555 93.4 ? 8 OE2 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 O ? L HOH . ? A HOH 2583 ? 1_555 93.0 ? 9 O ? L HOH . ? A HOH 2513 ? 1_555 CD ? C CD . ? A CD 1455 ? 1_555 O ? L HOH . ? A HOH 2583 ? 1_555 91.0 ? 10 O ? L HOH . ? A HOH 2575 ? 1_555 CD ? C CD . ? A CD 1455 ? 1_555 O ? L HOH . ? A HOH 2583 ? 1_555 170.7 ? 11 OE1 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 OD1 ? A ASP 224 ? A ASP 222 ? 1_555 162.8 ? 12 OE2 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 OD1 ? A ASP 224 ? A ASP 222 ? 1_555 136.0 ? 13 O ? L HOH . ? A HOH 2513 ? 1_555 CD ? C CD . ? A CD 1455 ? 1_555 OD1 ? A ASP 224 ? A ASP 222 ? 1_555 88.2 ? 14 O ? L HOH . ? A HOH 2575 ? 1_555 CD ? C CD . ? A CD 1455 ? 1_555 OD1 ? A ASP 224 ? A ASP 222 ? 1_555 86.0 ? 15 O ? L HOH . ? A HOH 2583 ? 1_555 CD ? C CD . ? A CD 1455 ? 1_555 OD1 ? A ASP 224 ? A ASP 222 ? 1_555 102.1 ? 16 OE1 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 OD2 ? A ASP 224 ? A ASP 222 ? 1_555 134.1 ? 17 OE2 ? A GLU 328 ? A GLU 326 ? 4_456 CD ? C CD . ? A CD 1455 ? 1_555 OD2 ? A ASP 224 ? A ASP 222 ? 1_555 85.3 ? 18 O ? L HOH . ? A HOH 2513 ? 1_555 CD ? C CD . ? A CD 1455 ? 1_555 OD2 ? A ASP 224 ? A ASP 222 ? 1_555 141.6 ? 19 O ? L HOH . ? A HOH 2575 ? 1_555 CD ? C CD . ? A CD 1455 ? 1_555 OD2 ? A ASP 224 ? A ASP 222 ? 1_555 104.5 ? 20 O ? L HOH . ? A HOH 2583 ? 1_555 CD ? C CD . ? A CD 1455 ? 1_555 OD2 ? A ASP 224 ? A ASP 222 ? 1_555 84.0 ? 21 OD1 ? A ASP 224 ? A ASP 222 ? 1_555 CD ? C CD . ? A CD 1455 ? 1_555 OD2 ? A ASP 224 ? A ASP 222 ? 1_555 56.2 ? 22 O ? L HOH . ? A HOH 2502 ? 1_555 CD ? D CD . ? A CD 1456 ? 1_555 O ? A GLY 181 ? A GLY 179 ? 1_555 99.1 ? 23 O ? L HOH . ? A HOH 2502 ? 1_555 CD ? D CD . ? A CD 1456 ? 1_555 OD1 ? A ASP 382 ? A ASP 380 ? 1_555 98.5 ? 24 O ? A GLY 181 ? A GLY 179 ? 1_555 CD ? D CD . ? A CD 1456 ? 1_555 OD1 ? A ASP 382 ? A ASP 380 ? 1_555 67.8 ? 25 O ? L HOH . ? A HOH 2502 ? 1_555 CD ? D CD . ? A CD 1456 ? 1_555 O ? L HOH . ? A HOH 2520 ? 1_555 97.7 ? 26 O ? A GLY 181 ? A GLY 179 ? 1_555 CD ? D CD . ? A CD 1456 ? 1_555 O ? L HOH . ? A HOH 2520 ? 1_555 162.1 ? 27 OD1 ? A ASP 382 ? A ASP 380 ? 1_555 CD ? D CD . ? A CD 1456 ? 1_555 O ? L HOH . ? A HOH 2520 ? 1_555 103.6 ? 28 O ? L HOH . ? A HOH 2502 ? 1_555 CD ? D CD . ? A CD 1456 ? 1_555 OD2 ? A ASP 382 ? A ASP 380 ? 1_555 141.0 ? 29 O ? A GLY 181 ? A GLY 179 ? 1_555 CD ? D CD . ? A CD 1456 ? 1_555 OD2 ? A ASP 382 ? A ASP 380 ? 1_555 68.2 ? 30 OD1 ? A ASP 382 ? A ASP 380 ? 1_555 CD ? D CD . ? A CD 1456 ? 1_555 OD2 ? A ASP 382 ? A ASP 380 ? 1_555 42.6 ? 31 O ? L HOH . ? A HOH 2520 ? 1_555 CD ? D CD . ? A CD 1456 ? 1_555 OD2 ? A ASP 382 ? A ASP 380 ? 1_555 94.7 ? 32 O ? L HOH . ? A HOH 2874 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 O ? L HOH . ? A HOH 2513 ? 1_555 86.5 ? 33 O ? L HOH . ? A HOH 2874 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 O ? L HOH . ? A HOH 2583 ? 1_555 85.3 ? 34 O ? L HOH . ? A HOH 2513 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 O ? L HOH . ? A HOH 2583 ? 1_555 84.5 ? 35 O ? L HOH . ? A HOH 2874 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 O ? L HOH . ? A HOH 2512 ? 1_555 94.1 ? 36 O ? L HOH . ? A HOH 2513 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 O ? L HOH . ? A HOH 2512 ? 1_555 95.0 ? 37 O ? L HOH . ? A HOH 2583 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 O ? L HOH . ? A HOH 2512 ? 1_555 179.3 ? 38 O ? L HOH . ? A HOH 2874 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 OE2 ? A GLU 186 ? A GLU 184 ? 1_555 174.9 ? 39 O ? L HOH . ? A HOH 2513 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 OE2 ? A GLU 186 ? A GLU 184 ? 1_555 89.4 ? 40 O ? L HOH . ? A HOH 2583 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 OE2 ? A GLU 186 ? A GLU 184 ? 1_555 97.2 ? 41 O ? L HOH . ? A HOH 2512 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 OE2 ? A GLU 186 ? A GLU 184 ? 1_555 83.3 ? 42 O ? L HOH . ? A HOH 2874 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 OE1 ? A GLU 186 ? A GLU 184 ? 1_555 141.2 ? 43 O ? L HOH . ? A HOH 2513 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 OE1 ? A GLU 186 ? A GLU 184 ? 1_555 129.4 ? 44 O ? L HOH . ? A HOH 2583 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 OE1 ? A GLU 186 ? A GLU 184 ? 1_555 84.5 ? 45 O ? L HOH . ? A HOH 2512 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 OE1 ? A GLU 186 ? A GLU 184 ? 1_555 96.3 ? 46 OE2 ? A GLU 186 ? A GLU 184 ? 1_555 CD ? E CD . ? A CD 1457 ? 1_555 OE1 ? A GLU 186 ? A GLU 184 ? 1_555 43.7 ? 47 OD1 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 OD2 ? A ASP 227 ? A ASP 225 ? 3_545 52.4 ? 48 OD1 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 O ? L HOH . ? A HOH 2875 ? 1_555 136.8 ? 49 OD2 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 O ? L HOH . ? A HOH 2875 ? 1_555 92.0 ? 50 OD1 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 O ? L HOH . ? A HOH 2018 ? 1_555 112.9 ? 51 OD2 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 O ? L HOH . ? A HOH 2018 ? 1_555 68.6 ? 52 O ? L HOH . ? A HOH 2875 ? 1_555 CD ? F CD . ? A CD 1458 ? 1_555 O ? L HOH . ? A HOH 2018 ? 1_555 63.6 ? 53 OD1 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 ND1 ? A HIS 213 ? A HIS 211 ? 3_545 94.7 ? 54 OD2 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 ND1 ? A HIS 213 ? A HIS 211 ? 3_545 133.3 ? 55 O ? L HOH . ? A HOH 2875 ? 1_555 CD ? F CD . ? A CD 1458 ? 1_555 ND1 ? A HIS 213 ? A HIS 211 ? 3_545 95.3 ? 56 O ? L HOH . ? A HOH 2018 ? 1_555 CD ? F CD . ? A CD 1458 ? 1_555 ND1 ? A HIS 213 ? A HIS 211 ? 3_545 152.4 ? 57 OD1 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 OD2 ? A ASP 5 ? A ASP 3 ? 1_555 73.5 ? 58 OD2 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 OD2 ? A ASP 5 ? A ASP 3 ? 1_555 95.1 ? 59 O ? L HOH . ? A HOH 2875 ? 1_555 CD ? F CD . ? A CD 1458 ? 1_555 OD2 ? A ASP 5 ? A ASP 3 ? 1_555 141.4 ? 60 O ? L HOH . ? A HOH 2018 ? 1_555 CD ? F CD . ? A CD 1458 ? 1_555 OD2 ? A ASP 5 ? A ASP 3 ? 1_555 83.9 ? 61 ND1 ? A HIS 213 ? A HIS 211 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 OD2 ? A ASP 5 ? A ASP 3 ? 1_555 106.8 ? 62 OD1 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 OD1 ? A ASP 5 ? A ASP 3 ? 1_555 127.0 ? 63 OD2 ? A ASP 227 ? A ASP 225 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 OD1 ? A ASP 5 ? A ASP 3 ? 1_555 134.4 ? 64 O ? L HOH . ? A HOH 2875 ? 1_555 CD ? F CD . ? A CD 1458 ? 1_555 OD1 ? A ASP 5 ? A ASP 3 ? 1_555 94.7 ? 65 O ? L HOH . ? A HOH 2018 ? 1_555 CD ? F CD . ? A CD 1458 ? 1_555 OD1 ? A ASP 5 ? A ASP 3 ? 1_555 74.4 ? 66 ND1 ? A HIS 213 ? A HIS 211 ? 3_545 CD ? F CD . ? A CD 1458 ? 1_555 OD1 ? A ASP 5 ? A ASP 3 ? 1_555 90.9 ? 67 OD2 ? A ASP 5 ? A ASP 3 ? 1_555 CD ? F CD . ? A CD 1458 ? 1_555 OD1 ? A ASP 5 ? A ASP 3 ? 1_555 54.6 ? 68 OD1 ? A ASN 188 ? A ASN 186 ? 1_555 CD ? G CD . ? A CD 1459 ? 1_555 SG ? A CYS 377 ? A CYS 375 ? 1_555 135.4 ? # 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 2014-02-26 2 'Structure model' 1 1 2014-04-02 # _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 ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0019 ? 1 XDS 'data reduction' . ? 2 XSCALE 'data scaling' . ? 3 PHASER phasing . ? 4 # _pdbx_entry_details.entry_id 4CIB _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;2 EXTRA RESIDUES FROM PREPROMELLITIN SIGNAL SEQUENCE AT N- TERMINUS AND 1 EXTRA RESIDUE, LEFT OVER FROM MYC TAG AT C- TERMINUS ; # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O A ARG 0 ? ? OE1 A GLU 138 ? ? 1.90 2 1 ND2 A ASN 202 ? ? O A HOH 2539 ? ? 2.01 3 1 OD2 A ASP 110 ? ? O A HOH 2160 ? ? 2.02 4 1 O A HOH 2691 ? ? O A HOH 2698 ? ? 2.03 5 1 O A HOH 2026 ? ? O A HOH 2690 ? ? 2.05 6 1 N A SER 405 ? ? O A HOH 2820 ? ? 2.05 7 1 O A HOH 2277 ? ? O A HOH 2278 ? ? 2.06 8 1 O A HOH 2260 ? ? O A HOH 2261 ? ? 2.08 9 1 O A HOH 2506 ? ? O A HOH 2507 ? ? 2.09 10 1 O A HOH 2255 ? ? O A HOH 2401 ? ? 2.10 11 1 O A HOH 2401 ? ? O A HOH 2733 ? ? 2.12 12 1 O A HOH 2618 ? ? O A HOH 2627 ? ? 2.13 13 1 O A HOH 2026 ? ? O A HOH 2054 ? ? 2.13 14 1 O A HOH 2160 ? ? O A HOH 2337 ? ? 2.15 # _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_1 174 _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_2 174 _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_3 174 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 140.82 _pdbx_validate_rmsd_angle.angle_target_value 115.30 _pdbx_validate_rmsd_angle.angle_deviation 25.52 _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 GLU A 69 ? ? -104.01 -77.77 2 1 PRO A 101 ? ? -79.11 -168.63 3 1 SER A 150 ? ? 57.08 -108.03 4 1 ASN A 178 ? ? 39.85 52.38 5 1 GLN A 215 ? ? 46.92 -125.81 6 1 TYR A 221 ? ? -103.08 -62.15 7 1 ASN A 248 ? ? -160.59 104.15 8 1 CYS A 303 ? ? 69.70 -0.83 9 1 TYR A 402 ? ? -90.62 -109.25 10 1 MET A 430 ? ? -108.56 79.04 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C1 ? A NAG 3011 ? 'WRONG HAND' . 2 1 C1 ? A NAG 3021 ? 'WRONG HAND' . # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 2012 ? 7.38 . 2 1 O ? A HOH 2014 ? 6.47 . 3 1 O ? A HOH 2015 ? . 6.29 4 1 O ? A HOH 2016 ? . 6.92 5 1 O ? A HOH 2033 ? 5.82 . 6 1 O ? A HOH 2080 ? 6.07 . 7 1 O ? A HOH 2131 ? 5.94 . 8 1 O ? A HOH 2136 ? 6.34 . 9 1 O ? A HOH 2166 ? 5.99 . 10 1 O ? A HOH 2210 ? 6.76 . 11 1 O ? A HOH 2308 ? 7.22 . 12 1 O ? A HOH 2310 ? 6.06 . 13 1 O ? A HOH 2313 ? 6.68 . 14 1 O ? A HOH 2314 ? 6.21 . 15 1 O ? A HOH 2358 ? 7.40 . 16 1 O ? A HOH 2383 ? 6.26 . 17 1 O ? A HOH 2387 ? 6.21 . 18 1 O ? A HOH 2393 ? 6.08 . 19 1 O ? A HOH 2407 ? 6.17 . 20 1 O ? A HOH 2408 ? 5.98 . 21 1 O ? A HOH 2409 ? 7.06 . 22 1 O ? A HOH 2432 ? 5.92 . 23 1 O ? A HOH 2433 ? 6.80 . 24 1 O ? A HOH 2455 ? 6.68 . 25 1 O ? A HOH 2457 ? 6.03 . 26 1 O ? A HOH 2796 ? 7.91 . 27 1 O ? A HOH 2900 ? 5.97 . 28 1 O ? A HOH 2901 ? 7.33 . 29 1 O ? A HOH 2902 ? 5.88 . 30 1 O ? A HOH 2903 ? 7.51 . 31 1 O ? A HOH 2905 ? 7.84 . 32 1 O ? A HOH 2906 ? 6.46 . 33 1 O ? A HOH 2907 ? . 7.93 34 1 O ? A HOH 2908 ? 8.44 . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A ARG 0 ? CG ? A ARG 2 CG 2 1 Y 1 A ARG 0 ? CD ? A ARG 2 CD 3 1 Y 1 A ARG 0 ? NE ? A ARG 2 NE 4 1 Y 1 A ARG 0 ? CZ ? A ARG 2 CZ 5 1 Y 1 A ARG 0 ? NH1 ? A ARG 2 NH1 6 1 Y 1 A ARG 0 ? NH2 ? A ARG 2 NH2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A SER -1 ? A SER 1 2 1 Y 1 A HIS 260 ? A HIS 262 3 1 Y 1 A PHE 261 ? A PHE 263 4 1 Y 1 A ARG 262 ? A ARG 264 5 1 Y 1 A TYR 263 ? A TYR 265 6 1 Y 1 A GLU 264 ? A GLU 266 7 1 Y 1 A LYS 265 ? A LYS 267 8 1 Y 1 A ASP 266 ? A ASP 268 9 1 Y 1 A THR 267 ? A THR 269 10 1 Y 1 A VAL 268 ? A VAL 270 11 1 Y 1 A VAL 269 ? A VAL 271 12 1 Y 1 A VAL 270 ? A VAL 272 13 1 Y 1 A GLN 271 ? A GLN 273 14 1 Y 1 A ASP 272 ? A ASP 274 15 1 Y 1 A LEU 273 ? A LEU 275 16 1 Y 1 A GLY 274 ? A GLY 276 17 1 Y 1 A ASN 275 ? A ASN 277 18 1 Y 1 A ILE 276 ? A ILE 278 19 1 Y 1 A PHE 277 ? A PHE 279 20 1 Y 1 A THR 278 ? A THR 280 21 1 Y 1 A ARG 279 ? A ARG 281 22 1 Y 1 A LEU 280 ? A LEU 282 23 1 Y 1 A PRO 281 ? A PRO 283 24 1 Y 1 A LEU 282 ? A LEU 284 25 1 Y 1 A LYS 283 ? A LYS 285 26 1 Y 1 A ARG 284 ? A ARG 286 27 1 Y 1 A MET 285 ? A MET 287 28 1 Y 1 A TRP 286 ? A TRP 288 29 1 Y 1 A HIS 287 ? A HIS 289 30 1 Y 1 A GLN 288 ? A GLN 290 31 1 Y 1 A ALA 289 ? A ALA 291 32 1 Y 1 A LEU 290 ? A LEU 292 33 1 Y 1 A LEU 291 ? A LEU 293 34 1 Y 1 A ARG 292 ? A ARG 294 35 1 Y 1 A SER 293 ? A SER 295 36 1 Y 1 A GLY 294 ? A GLY 296 37 1 Y 1 A ASP 295 ? A ASP 297 38 1 Y 1 A LYS 296 ? A LYS 298 39 1 Y 1 A VAL 297 ? A VAL 299 40 1 Y 1 A ARG 298 ? A ARG 300 41 1 Y 1 A MET 299 ? A MET 301 42 1 Y 1 A ASP 404 ? A ASP 406 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 '2-(cyclohexylmethyl)propanedioic acid' 7UZ 3 'CADMIUM ION' CD 4 N-ACETYL-D-GLUCOSAMINE NAG 5 water HOH #