data_5FC7 # _entry.id 5FC7 # _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 5FC7 WWPDB D_1000216362 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB . 5FC1 unspecified PDB . 5FC5 unspecified PDB . 5FC6 unspecified PDB . 5FCA unspecified PDB . 5FCB unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5FC7 _pdbx_database_status.recvd_initial_deposition_date 2015-12-15 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Gorelik, A.' 1 'Illes, K.' 2 'Superti-Furga, G.' 3 'Nagar, B.' 4 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev J.Biol.Chem. _citation.journal_id_ASTM JBCHA3 _citation.journal_id_CSD 0071 _citation.journal_id_ISSN 1083-351X _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 291 _citation.language ? _citation.page_first 6376 _citation.page_last 6385 _citation.title 'Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1074/jbc.M115.711085 _citation.pdbx_database_id_PubMed 26792860 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Gorelik, A.' 1 primary 'Illes, K.' 2 primary 'Superti-Furga, G.' 3 primary 'Nagar, B.' 4 # _cell.entry_id 5FC7 _cell.length_a 87.385 _cell.length_b 87.385 _cell.length_c 79.843 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5FC7 _symmetry.space_group_name_H-M 'P 41' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 76 # 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 'Acid sphingomyelinase-like phosphodiesterase 3a' 48997.258 1 3.1.4.- ? 'UNP residues 23-445' ? 2 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 4 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 6 ? ? ? ? 6 non-polymer syn GLYCEROL 92.094 3 ? ? ? ? 7 water nat water 18.015 406 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'ASM-like phosphodiesterase 3a' # _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 ;DRHHHHHHKLVPLAPADRAPAVGQFWHVTDLHLDPTYHITDDRTKVCASSKGANASNPGPFGDVLCDSPYQLILSAFDFI KNSGQEASFMIWTGDSPPHVPVPELSTGTVIKVITNMTMTVQNLFPNLQVFPALGNHDYWPQDQLPIVTSKVYSAVADLW KPWLGEEAISTLKKGGFYSQKVASNPGLRIISLNTNLYYGPNIMTLNKTDPANQFEWLENTLNSSLWNKEKVYIIAHVPV GYLPYATDTPAIRQYYNEKLLDIFRRYSSVIAGQFYGHTHRDSLMVLSDKNGNPLNSVFVAPAVTPVKGVLQKETNNPGV RLFQYKPGDYTLLDMVQYYLNLTEANLKGESNWTLEYVLTQAYSVADLQPKSLYALVQQFATKDSKQFLKYYHYYFVSYD SSATCDQHCKTLQVCAIMNLDSMSYDDCLKQHL ; _entity_poly.pdbx_seq_one_letter_code_can ;DRHHHHHHKLVPLAPADRAPAVGQFWHVTDLHLDPTYHITDDRTKVCASSKGANASNPGPFGDVLCDSPYQLILSAFDFI KNSGQEASFMIWTGDSPPHVPVPELSTGTVIKVITNMTMTVQNLFPNLQVFPALGNHDYWPQDQLPIVTSKVYSAVADLW KPWLGEEAISTLKKGGFYSQKVASNPGLRIISLNTNLYYGPNIMTLNKTDPANQFEWLENTLNSSLWNKEKVYIIAHVPV GYLPYATDTPAIRQYYNEKLLDIFRRYSSVIAGQFYGHTHRDSLMVLSDKNGNPLNSVFVAPAVTPVKGVLQKETNNPGV RLFQYKPGDYTLLDMVQYYLNLTEANLKGESNWTLEYVLTQAYSVADLQPKSLYALVQQFATKDSKQFLKYYHYYFVSYD SSATCDQHCKTLQVCAIMNLDSMSYDDCLKQHL ; _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 ASP n 1 2 ARG n 1 3 HIS n 1 4 HIS n 1 5 HIS n 1 6 HIS n 1 7 HIS n 1 8 HIS n 1 9 LYS n 1 10 LEU n 1 11 VAL n 1 12 PRO n 1 13 LEU n 1 14 ALA n 1 15 PRO n 1 16 ALA n 1 17 ASP n 1 18 ARG n 1 19 ALA n 1 20 PRO n 1 21 ALA n 1 22 VAL n 1 23 GLY n 1 24 GLN n 1 25 PHE n 1 26 TRP n 1 27 HIS n 1 28 VAL n 1 29 THR n 1 30 ASP n 1 31 LEU n 1 32 HIS n 1 33 LEU n 1 34 ASP n 1 35 PRO n 1 36 THR n 1 37 TYR n 1 38 HIS n 1 39 ILE n 1 40 THR n 1 41 ASP n 1 42 ASP n 1 43 ARG n 1 44 THR n 1 45 LYS n 1 46 VAL n 1 47 CYS n 1 48 ALA n 1 49 SER n 1 50 SER n 1 51 LYS n 1 52 GLY n 1 53 ALA n 1 54 ASN n 1 55 ALA n 1 56 SER n 1 57 ASN n 1 58 PRO n 1 59 GLY n 1 60 PRO n 1 61 PHE n 1 62 GLY n 1 63 ASP n 1 64 VAL n 1 65 LEU n 1 66 CYS n 1 67 ASP n 1 68 SER n 1 69 PRO n 1 70 TYR n 1 71 GLN n 1 72 LEU n 1 73 ILE n 1 74 LEU n 1 75 SER n 1 76 ALA n 1 77 PHE n 1 78 ASP n 1 79 PHE n 1 80 ILE n 1 81 LYS n 1 82 ASN n 1 83 SER n 1 84 GLY n 1 85 GLN n 1 86 GLU n 1 87 ALA n 1 88 SER n 1 89 PHE n 1 90 MET n 1 91 ILE n 1 92 TRP n 1 93 THR n 1 94 GLY n 1 95 ASP n 1 96 SER n 1 97 PRO n 1 98 PRO n 1 99 HIS n 1 100 VAL n 1 101 PRO n 1 102 VAL n 1 103 PRO n 1 104 GLU n 1 105 LEU n 1 106 SER n 1 107 THR n 1 108 GLY n 1 109 THR n 1 110 VAL n 1 111 ILE n 1 112 LYS n 1 113 VAL n 1 114 ILE n 1 115 THR n 1 116 ASN n 1 117 MET n 1 118 THR n 1 119 MET n 1 120 THR n 1 121 VAL n 1 122 GLN n 1 123 ASN n 1 124 LEU n 1 125 PHE n 1 126 PRO n 1 127 ASN n 1 128 LEU n 1 129 GLN n 1 130 VAL n 1 131 PHE n 1 132 PRO n 1 133 ALA n 1 134 LEU n 1 135 GLY n 1 136 ASN n 1 137 HIS n 1 138 ASP n 1 139 TYR n 1 140 TRP n 1 141 PRO n 1 142 GLN n 1 143 ASP n 1 144 GLN n 1 145 LEU n 1 146 PRO n 1 147 ILE n 1 148 VAL n 1 149 THR n 1 150 SER n 1 151 LYS n 1 152 VAL n 1 153 TYR n 1 154 SER n 1 155 ALA n 1 156 VAL n 1 157 ALA n 1 158 ASP n 1 159 LEU n 1 160 TRP n 1 161 LYS n 1 162 PRO n 1 163 TRP n 1 164 LEU n 1 165 GLY n 1 166 GLU n 1 167 GLU n 1 168 ALA n 1 169 ILE n 1 170 SER n 1 171 THR n 1 172 LEU n 1 173 LYS n 1 174 LYS n 1 175 GLY n 1 176 GLY n 1 177 PHE n 1 178 TYR n 1 179 SER n 1 180 GLN n 1 181 LYS n 1 182 VAL n 1 183 ALA n 1 184 SER n 1 185 ASN n 1 186 PRO n 1 187 GLY n 1 188 LEU n 1 189 ARG n 1 190 ILE n 1 191 ILE n 1 192 SER n 1 193 LEU n 1 194 ASN n 1 195 THR n 1 196 ASN n 1 197 LEU n 1 198 TYR n 1 199 TYR n 1 200 GLY n 1 201 PRO n 1 202 ASN n 1 203 ILE n 1 204 MET n 1 205 THR n 1 206 LEU n 1 207 ASN n 1 208 LYS n 1 209 THR n 1 210 ASP n 1 211 PRO n 1 212 ALA n 1 213 ASN n 1 214 GLN n 1 215 PHE n 1 216 GLU n 1 217 TRP n 1 218 LEU n 1 219 GLU n 1 220 ASN n 1 221 THR n 1 222 LEU n 1 223 ASN n 1 224 SER n 1 225 SER n 1 226 LEU n 1 227 TRP n 1 228 ASN n 1 229 LYS n 1 230 GLU n 1 231 LYS n 1 232 VAL n 1 233 TYR n 1 234 ILE n 1 235 ILE n 1 236 ALA n 1 237 HIS n 1 238 VAL n 1 239 PRO n 1 240 VAL n 1 241 GLY n 1 242 TYR n 1 243 LEU n 1 244 PRO n 1 245 TYR n 1 246 ALA n 1 247 THR n 1 248 ASP n 1 249 THR n 1 250 PRO n 1 251 ALA n 1 252 ILE n 1 253 ARG n 1 254 GLN n 1 255 TYR n 1 256 TYR n 1 257 ASN n 1 258 GLU n 1 259 LYS n 1 260 LEU n 1 261 LEU n 1 262 ASP n 1 263 ILE n 1 264 PHE n 1 265 ARG n 1 266 ARG n 1 267 TYR n 1 268 SER n 1 269 SER n 1 270 VAL n 1 271 ILE n 1 272 ALA n 1 273 GLY n 1 274 GLN n 1 275 PHE n 1 276 TYR n 1 277 GLY n 1 278 HIS n 1 279 THR n 1 280 HIS n 1 281 ARG n 1 282 ASP n 1 283 SER n 1 284 LEU n 1 285 MET n 1 286 VAL n 1 287 LEU n 1 288 SER n 1 289 ASP n 1 290 LYS n 1 291 ASN n 1 292 GLY n 1 293 ASN n 1 294 PRO n 1 295 LEU n 1 296 ASN n 1 297 SER n 1 298 VAL n 1 299 PHE n 1 300 VAL n 1 301 ALA n 1 302 PRO n 1 303 ALA n 1 304 VAL n 1 305 THR n 1 306 PRO n 1 307 VAL n 1 308 LYS n 1 309 GLY n 1 310 VAL n 1 311 LEU n 1 312 GLN n 1 313 LYS n 1 314 GLU n 1 315 THR n 1 316 ASN n 1 317 ASN n 1 318 PRO n 1 319 GLY n 1 320 VAL n 1 321 ARG n 1 322 LEU n 1 323 PHE n 1 324 GLN n 1 325 TYR n 1 326 LYS n 1 327 PRO n 1 328 GLY n 1 329 ASP n 1 330 TYR n 1 331 THR n 1 332 LEU n 1 333 LEU n 1 334 ASP n 1 335 MET n 1 336 VAL n 1 337 GLN n 1 338 TYR n 1 339 TYR n 1 340 LEU n 1 341 ASN n 1 342 LEU n 1 343 THR n 1 344 GLU n 1 345 ALA n 1 346 ASN n 1 347 LEU n 1 348 LYS n 1 349 GLY n 1 350 GLU n 1 351 SER n 1 352 ASN n 1 353 TRP n 1 354 THR n 1 355 LEU n 1 356 GLU n 1 357 TYR n 1 358 VAL n 1 359 LEU n 1 360 THR n 1 361 GLN n 1 362 ALA n 1 363 TYR n 1 364 SER n 1 365 VAL n 1 366 ALA n 1 367 ASP n 1 368 LEU n 1 369 GLN n 1 370 PRO n 1 371 LYS n 1 372 SER n 1 373 LEU n 1 374 TYR n 1 375 ALA n 1 376 LEU n 1 377 VAL n 1 378 GLN n 1 379 GLN n 1 380 PHE n 1 381 ALA n 1 382 THR n 1 383 LYS n 1 384 ASP n 1 385 SER n 1 386 LYS n 1 387 GLN n 1 388 PHE n 1 389 LEU n 1 390 LYS n 1 391 TYR n 1 392 TYR n 1 393 HIS n 1 394 TYR n 1 395 TYR n 1 396 PHE n 1 397 VAL n 1 398 SER n 1 399 TYR n 1 400 ASP n 1 401 SER n 1 402 SER n 1 403 ALA n 1 404 THR n 1 405 CYS n 1 406 ASP n 1 407 GLN n 1 408 HIS n 1 409 CYS n 1 410 LYS n 1 411 THR n 1 412 LEU n 1 413 GLN n 1 414 VAL n 1 415 CYS n 1 416 ALA n 1 417 ILE n 1 418 MET n 1 419 ASN n 1 420 LEU n 1 421 ASP n 1 422 SER n 1 423 MET n 1 424 SER n 1 425 TYR n 1 426 ASP n 1 427 ASP n 1 428 CYS n 1 429 LEU n 1 430 LYS n 1 431 GLN n 1 432 HIS n 1 433 LEU n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 433 _entity_src_gen.gene_src_common_name Mouse _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'Smpdl3a, Asml3a' _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 'Mus musculus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10090 _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 ? _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 ? _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.db_code ASM3A_MOUSE _struct_ref.db_name UNP _struct_ref.details ? _struct_ref.entity_id 1 _struct_ref.id 1 _struct_ref.seq_align ? _struct_ref.seq_dif ? _struct_ref.pdbx_db_accession P70158 _struct_ref.pdbx_db_isoform ? _struct_ref.pdbx_seq_one_letter_code ;VPLAPADRAPAVGQFWHVTDLHLDPTYHITDDRTKVCASSKGANASNPGPFGDVLCDSPYQLILSAFDFIKNSGQEASFM IWTGDSPPHVPVPELSTGTVIKVITNMTMTVQNLFPNLQVFPALGNHDYWPQDQLPIVTSKVYSAVADLWKPWLGEEAIS TLKKGGFYSQKVASNPGLRIISLNTNLYYGPNIMTLNKTDPANQFEWLENTLNSSLWNKEKVYIIAHVPVGYLPYATDTP AIRQYYNEKLLDIFRRYSSVIAGQFYGHTHRDSLMVLSDKNGNPLNSVFVAPAVTPVKGVLQKETNNPGVRLFQYKPGDY TLLDMVQYYLNLTEANLKGESNWTLEYVLTQAYSVADLQPKSLYALVQQFATKDSKQFLKYYHYYFVSYDSSATCDQHCK TLQVCAIMNLDSMSYDDCLKQHL ; _struct_ref.pdbx_align_begin 23 _struct_ref.pdbx_align_end ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5FC7 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 11 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 433 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P70158 _struct_ref_seq.db_align_beg 23 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 445 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 23 _struct_ref_seq.pdbx_auth_seq_align_end 445 # 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 5FC7 ASP A 1 ? UNP P70158 ? ? 'expression tag' 13 1 1 5FC7 ARG A 2 ? UNP P70158 ? ? 'expression tag' 14 2 1 5FC7 HIS A 3 ? UNP P70158 ? ? 'expression tag' 15 3 1 5FC7 HIS A 4 ? UNP P70158 ? ? 'expression tag' 16 4 1 5FC7 HIS A 5 ? UNP P70158 ? ? 'expression tag' 17 5 1 5FC7 HIS A 6 ? UNP P70158 ? ? 'expression tag' 18 6 1 5FC7 HIS A 7 ? UNP P70158 ? ? 'expression tag' 19 7 1 5FC7 HIS A 8 ? UNP P70158 ? ? 'expression tag' 20 8 1 5FC7 LYS A 9 ? UNP P70158 ? ? 'expression tag' 21 9 1 5FC7 LEU A 10 ? UNP P70158 ? ? 'expression tag' 22 10 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5FC7 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.11 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 60.46 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 4.6 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.2 M (NH4)2SO4, 0.1 M sodium acetate pH 4.6, 25% PEG 4000' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'RAYONIX MX-300' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-01-21 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97949 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'CLSI BEAMLINE 08ID-1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97949 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 08ID-1 _diffrn_source.pdbx_synchrotron_site CLSI # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5FC7 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.456 _reflns.d_resolution_low 36.312 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 100829 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 96.4 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.5 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 15 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5FC7 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 98417 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.33 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 36.312 _refine.ls_d_res_high 1.456 _refine.ls_percent_reflns_obs 93.95 _refine.ls_R_factor_obs 0.1541 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1535 _refine.ls_R_factor_R_free 0.1830 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 1.99 _refine.ls_number_reflns_R_free 1957 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.21 _refine.pdbx_overall_phase_error 25.07 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3365 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 172 _refine_hist.number_atoms_solvent 406 _refine_hist.number_atoms_total 3943 _refine_hist.d_res_high 1.456 _refine_hist.d_res_low 36.312 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.011 ? ? 3679 'X-RAY DIFFRACTION' ? f_angle_d 1.123 ? ? 5052 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 16.011 ? ? 1345 'X-RAY DIFFRACTION' ? f_chiral_restr 0.080 ? ? 579 'X-RAY DIFFRACTION' ? f_plane_restr 0.008 ? ? 627 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all 'X-RAY DIFFRACTION' . 1.4562 1.4926 3236 0.4516 45.00 0.4761 . . 75 . . 'X-RAY DIFFRACTION' . 1.4926 1.5329 5567 0.3825 76.00 0.3625 . . 106 . . 'X-RAY DIFFRACTION' . 1.5329 1.5781 6923 0.3223 95.00 0.3763 . . 140 . . 'X-RAY DIFFRACTION' . 1.5781 1.6290 7292 0.2687 100.00 0.3087 . . 151 . . 'X-RAY DIFFRACTION' . 1.6290 1.6872 7310 0.2364 100.00 0.2770 . . 149 . . 'X-RAY DIFFRACTION' . 1.6872 1.7548 7298 0.2180 100.00 0.2754 . . 147 . . 'X-RAY DIFFRACTION' . 1.7548 1.8346 7318 0.1762 100.00 0.2321 . . 147 . . 'X-RAY DIFFRACTION' . 1.8346 1.9313 7330 0.1904 100.00 0.2182 . . 148 . . 'X-RAY DIFFRACTION' . 1.9313 2.0523 7301 0.1383 100.00 0.1951 . . 146 . . 'X-RAY DIFFRACTION' . 2.0523 2.2108 7369 0.1298 100.00 0.1622 . . 150 . . 'X-RAY DIFFRACTION' . 2.2108 2.4332 7330 0.1383 100.00 0.1889 . . 149 . . 'X-RAY DIFFRACTION' . 2.4332 2.7852 7328 0.1346 100.00 0.1734 . . 150 . . 'X-RAY DIFFRACTION' . 2.7852 3.5086 7406 0.1475 100.00 0.1546 . . 152 . . 'X-RAY DIFFRACTION' . 3.5086 36.3229 7452 0.1325 100.00 0.1566 . . 147 . . # _struct.entry_id 5FC7 _struct.title 'Murine SMPDL3A in complex with sulfate (tetragonal)' _struct.pdbx_descriptor 'Acid sphingomyelinase-like phosphodiesterase 3a (E.C.3.1.4.-)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5FC7 _struct_keywords.text 'SMPDL3A, sphingomyelin, nucleotide, zinc, HYDROLASE' _struct_keywords.pdbx_keywords HYDROLASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 3 ? F N N 4 ? G N N 3 ? H N N 3 ? I N N 3 ? J N N 3 ? K N N 3 ? L N N 3 ? M N N 5 ? N N N 5 ? O N N 5 ? P N N 5 ? Q N N 5 ? R N N 5 ? S N N 6 ? T N N 6 ? U N N 6 ? V N N 7 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ASP A 42 ? VAL A 46 ? ASP A 54 VAL A 58 5 ? 5 HELX_P HELX_P2 AA2 CYS A 47 ? LYS A 51 ? CYS A 59 LYS A 63 5 ? 5 HELX_P HELX_P3 AA3 PRO A 69 ? SER A 83 ? PRO A 81 SER A 95 1 ? 15 HELX_P HELX_P4 AA4 PRO A 101 ? LEU A 105 ? PRO A 113 LEU A 117 5 ? 5 HELX_P HELX_P5 AA5 SER A 106 ? PHE A 125 ? SER A 118 PHE A 137 1 ? 20 HELX_P HELX_P6 AA6 SER A 150 ? LYS A 161 ? SER A 162 LYS A 173 1 ? 12 HELX_P HELX_P7 AA7 PRO A 162 ? LEU A 164 ? PRO A 174 LEU A 176 5 ? 3 HELX_P HELX_P8 AA8 GLY A 165 ? GLY A 176 ? GLY A 177 GLY A 188 1 ? 12 HELX_P HELX_P9 AA9 ASN A 194 ? TYR A 199 ? ASN A 206 TYR A 211 5 ? 6 HELX_P HELX_P10 AB1 ASP A 210 ? ALA A 212 ? ASP A 222 ALA A 224 5 ? 3 HELX_P HELX_P11 AB2 ASN A 213 ? ASN A 228 ? ASN A 225 ASN A 240 1 ? 16 HELX_P HELX_P12 AB3 ARG A 253 ? TYR A 267 ? ARG A 265 TYR A 279 1 ? 15 HELX_P HELX_P13 AB4 ASN A 341 ? GLY A 349 ? ASN A 353 GLY A 361 1 ? 9 HELX_P HELX_P14 AB5 LEU A 359 ? SER A 364 ? LEU A 371 SER A 376 1 ? 6 HELX_P HELX_P15 AB6 GLN A 369 ? THR A 382 ? GLN A 381 THR A 394 1 ? 14 HELX_P HELX_P16 AB7 SER A 385 ? PHE A 396 ? SER A 397 PHE A 408 1 ? 12 HELX_P HELX_P17 AB8 ASP A 406 ? ASN A 419 ? ASP A 418 ASN A 431 1 ? 14 HELX_P HELX_P18 AB9 ASP A 421 ? LEU A 433 ? ASP A 433 LEU A 445 1 ? 13 # _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 47 SG ? ? ? 1_555 A CYS 66 SG ? ? A CYS 59 A CYS 78 1_555 ? ? ? ? ? ? ? 2.030 ? disulf2 disulf ? ? A CYS 405 SG ? ? ? 1_555 A CYS 409 SG ? ? A CYS 417 A CYS 421 1_555 ? ? ? ? ? ? ? 2.094 ? disulf3 disulf ? ? A CYS 415 SG A ? ? 1_555 A CYS 428 SG ? ? A CYS 427 A CYS 440 1_555 ? ? ? ? ? ? ? 2.061 ? metalc1 metalc ? ? A ASP 30 OD1 ? ? ? 1_555 B ZN . ZN ? ? A ASP 42 A ZN 501 1_555 ? ? ? ? ? ? ? 2.029 ? metalc2 metalc ? ? A HIS 32 NE2 ? ? ? 1_555 B ZN . ZN ? ? A HIS 44 A ZN 501 1_555 ? ? ? ? ? ? ? 2.107 ? covale1 covale one ? A ASN 54 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 66 A NAG 510 1_555 ? ? ? ? ? ? ? 1.459 ? metalc3 metalc ? ? A ASP 95 OD2 ? ? ? 1_555 B ZN . ZN ? ? A ASP 107 A ZN 501 1_555 ? ? ? ? ? ? ? 2.373 ? metalc4 metalc ? ? A ASP 95 OD2 ? ? ? 1_555 C ZN . ZN ? ? A ASP 107 A ZN 502 1_555 ? ? ? ? ? ? ? 2.361 ? covale2 covale one ? A ASN 116 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 128 A NAG 503 1_555 ? ? ? ? ? ? ? 1.439 ? metalc5 metalc ? ? A ASN 136 OD1 ? ? ? 1_555 C ZN . ZN ? ? A ASN 148 A ZN 502 1_555 ? ? ? ? ? ? ? 2.066 ? covale3 covale one ? A ASN 207 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 219 A NAG 511 1_555 ? ? ? ? ? ? ? 1.450 ? covale4 covale one ? A ASN 223 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 235 A NAG 506 1_555 ? ? ? ? ? ? ? 1.436 ? metalc6 metalc ? ? A HIS 237 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 249 A ZN 502 1_555 ? ? ? ? ? ? ? 2.003 ? metalc7 metalc ? ? A HIS 278 ND1 ? ? ? 1_555 C ZN . ZN ? ? A HIS 290 A ZN 502 1_555 ? ? ? ? ? ? ? 2.193 ? metalc8 metalc ? ? A HIS 280 NE2 ? ? ? 1_555 B ZN . ZN ? ? A HIS 292 A ZN 501 1_555 ? ? ? ? ? ? ? 2.176 ? covale5 covale one ? A ASN 341 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 353 A NAG 508 1_555 ? ? ? ? ? ? ? 1.421 ? metalc9 metalc ? ? B ZN . ZN ? ? ? 1_555 M SO4 . O3 ? ? A ZN 501 A SO4 512 1_555 ? ? ? ? ? ? ? 2.280 ? metalc10 metalc ? ? B ZN . ZN ? ? ? 1_555 V HOH . O ? ? A ZN 501 A HOH 611 1_555 ? ? ? ? ? ? ? 1.951 ? metalc11 metalc ? ? C ZN . ZN ? ? ? 1_555 M SO4 . O4 ? ? A ZN 502 A SO4 512 1_555 ? ? ? ? ? ? ? 2.043 ? metalc12 metalc ? ? C ZN . ZN ? ? ? 1_555 V HOH . O ? ? A ZN 502 A HOH 611 1_555 ? ? ? ? ? ? ? 2.292 ? covale6 covale both ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 503 A NAG 504 1_555 ? ? ? ? ? ? ? 1.447 ? covale7 covale one ? F FUC . C1 ? ? ? 1_555 G NAG . O6 ? ? A FUC 505 A NAG 506 1_555 ? ? ? ? ? ? ? 1.439 ? covale8 covale both ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 506 A NAG 507 1_555 ? ? ? ? ? ? ? 1.461 ? covale9 covale both ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 508 A NAG 509 1_555 ? ? ? ? ? ? ? 1.437 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id TRP _struct_mon_prot_cis.label_seq_id 140 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id TRP _struct_mon_prot_cis.auth_seq_id 152 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 141 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 153 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -8.94 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 6 ? AA2 ? 6 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? parallel AA1 2 3 ? parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? parallel AA2 3 4 ? parallel AA2 4 5 ? parallel AA2 5 6 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 GLN A 129 ? PRO A 132 ? GLN A 141 PRO A 144 AA1 2 PHE A 89 ? TRP A 92 ? PHE A 101 TRP A 104 AA1 3 GLY A 23 ? VAL A 28 ? GLY A 35 VAL A 40 AA1 4 GLY A 319 ? TYR A 325 ? GLY A 331 TYR A 337 AA1 5 LEU A 332 ? TYR A 339 ? LEU A 344 TYR A 351 AA1 6 THR A 354 ? VAL A 358 ? THR A 366 VAL A 370 AA2 1 TYR A 178 ? LYS A 181 ? TYR A 190 LYS A 193 AA2 2 LEU A 188 ? SER A 192 ? LEU A 200 SER A 204 AA2 3 LYS A 231 ? ILE A 235 ? LYS A 243 ILE A 247 AA2 4 ILE A 271 ? TYR A 276 ? ILE A 283 TYR A 288 AA2 5 PRO A 294 ? VAL A 300 ? PRO A 306 VAL A 312 AA2 6 SER A 283 ? SER A 288 ? SER A 295 SER A 300 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 O PHE A 131 ? O PHE A 143 N MET A 90 ? N MET A 102 AA1 2 3 O ILE A 91 ? O ILE A 103 N TRP A 26 ? N TRP A 38 AA1 3 4 N PHE A 25 ? N PHE A 37 O PHE A 323 ? O PHE A 335 AA1 4 5 N VAL A 320 ? N VAL A 332 O TYR A 338 ? O TYR A 350 AA1 5 6 N GLN A 337 ? N GLN A 349 O GLU A 356 ? O GLU A 368 AA2 1 2 N TYR A 178 ? N TYR A 190 O SER A 192 ? O SER A 204 AA2 2 3 N ILE A 191 ? N ILE A 203 O ILE A 235 ? O ILE A 247 AA2 3 4 N ILE A 234 ? N ILE A 246 O GLY A 273 ? O GLY A 285 AA2 4 5 N GLN A 274 ? N GLN A 286 O PHE A 299 ? O PHE A 311 AA2 5 6 O ASN A 296 ? O ASN A 308 N LEU A 287 ? N LEU A 299 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A ZN 501 ? 7 'binding site for residue ZN A 501' AC2 Software A ZN 502 ? 7 'binding site for residue ZN A 502' AC3 Software A SO4 512 ? 12 'binding site for residue SO4 A 512' AC4 Software A SO4 513 ? 3 'binding site for residue SO4 A 513' AC5 Software A SO4 514 ? 5 'binding site for residue SO4 A 514' AC6 Software A SO4 515 ? 6 'binding site for residue SO4 A 515' AC7 Software A SO4 516 ? 4 'binding site for residue SO4 A 516' AC8 Software A SO4 517 ? 4 'binding site for residue SO4 A 517' AC9 Software A GOL 518 ? 2 'binding site for residue GOL A 518' AD1 Software A GOL 519 ? 5 'binding site for residue GOL A 519' AD2 Software A GOL 520 ? 7 'binding site for residue GOL A 520' AD3 Software A NAG 510 ? 5 'binding site for Mono-Saccharide NAG A 510 bound to ASN A 66' AD4 Software A ASN 128 ? 5 'binding site for Poly-Saccharide residues NAG A 503 through NAG A 504 bound to ASN A 128' AD5 Software A NAG 511 ? 4 'binding site for Mono-Saccharide NAG A 511 bound to ASN A 219' AD6 Software A ASN 235 ? 5 'binding site for Poly-Saccharide residues FUC A 505 through NAG A 507 bound to ASN A 235' AD7 Software A ASN 353 ? 11 'binding site for Poly-Saccharide residues NAG A 508 through NAG A 509 bound to ASN A 353' # 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 7 ASP A 30 ? ASP A 42 . ? 1_555 ? 2 AC1 7 HIS A 32 ? HIS A 44 . ? 1_555 ? 3 AC1 7 ASP A 95 ? ASP A 107 . ? 1_555 ? 4 AC1 7 HIS A 280 ? HIS A 292 . ? 1_555 ? 5 AC1 7 ZN C . ? ZN A 502 . ? 1_555 ? 6 AC1 7 SO4 M . ? SO4 A 512 . ? 1_555 ? 7 AC1 7 HOH V . ? HOH A 611 . ? 1_555 ? 8 AC2 7 ASP A 95 ? ASP A 107 . ? 1_555 ? 9 AC2 7 ASN A 136 ? ASN A 148 . ? 1_555 ? 10 AC2 7 HIS A 237 ? HIS A 249 . ? 1_555 ? 11 AC2 7 HIS A 278 ? HIS A 290 . ? 1_555 ? 12 AC2 7 ZN B . ? ZN A 501 . ? 1_555 ? 13 AC2 7 SO4 M . ? SO4 A 512 . ? 1_555 ? 14 AC2 7 HOH V . ? HOH A 611 . ? 1_555 ? 15 AC3 12 HIS A 32 ? HIS A 44 . ? 1_555 ? 16 AC3 12 ASP A 95 ? ASP A 107 . ? 1_555 ? 17 AC3 12 HIS A 99 ? HIS A 111 . ? 1_555 ? 18 AC3 12 ASN A 136 ? ASN A 148 . ? 1_555 ? 19 AC3 12 HIS A 137 ? HIS A 149 . ? 1_555 ? 20 AC3 12 HIS A 278 ? HIS A 290 . ? 1_555 ? 21 AC3 12 HIS A 280 ? HIS A 292 . ? 1_555 ? 22 AC3 12 ZN B . ? ZN A 501 . ? 1_555 ? 23 AC3 12 ZN C . ? ZN A 502 . ? 1_555 ? 24 AC3 12 HOH V . ? HOH A 611 . ? 1_555 ? 25 AC3 12 HOH V . ? HOH A 672 . ? 1_555 ? 26 AC3 12 HOH V . ? HOH A 730 . ? 1_555 ? 27 AC4 3 SER A 150 ? SER A 162 . ? 1_555 ? 28 AC4 3 LYS A 151 ? LYS A 163 . ? 1_555 ? 29 AC4 3 HOH V . ? HOH A 808 . ? 1_555 ? 30 AC5 5 GLU A 350 ? GLU A 362 . ? 1_555 ? 31 AC5 5 SER A 351 ? SER A 363 . ? 1_555 ? 32 AC5 5 HOH V . ? HOH A 623 . ? 1_555 ? 33 AC5 5 HOH V . ? HOH A 654 . ? 1_555 ? 34 AC5 5 HOH V . ? HOH A 895 . ? 1_555 ? 35 AC6 6 GLU A 167 ? GLU A 179 . ? 1_555 ? 36 AC6 6 LYS A 181 ? LYS A 193 . ? 1_555 ? 37 AC6 6 ARG A 189 ? ARG A 201 . ? 1_555 ? 38 AC6 6 HOH V . ? HOH A 605 . ? 1_555 ? 39 AC6 6 HOH V . ? HOH A 609 . ? 1_555 ? 40 AC6 6 HOH V . ? HOH A 658 . ? 1_555 ? 41 AC7 4 ASN A 207 ? ASN A 219 . ? 1_555 ? 42 AC7 4 LYS A 208 ? LYS A 220 . ? 1_555 ? 43 AC7 4 THR A 209 ? THR A 221 . ? 1_555 ? 44 AC7 4 HOH V . ? HOH A 601 . ? 1_555 ? 45 AC8 4 SER A 106 ? SER A 118 . ? 1_555 ? 46 AC8 4 THR A 107 ? THR A 119 . ? 1_555 ? 47 AC8 4 GLY A 108 ? GLY A 120 . ? 1_555 ? 48 AC8 4 HOH V . ? HOH A 875 . ? 1_555 ? 49 AC9 2 ASP A 406 ? ASP A 418 . ? 1_555 ? 50 AC9 2 GLN A 407 ? GLN A 419 . ? 1_555 ? 51 AD1 5 LEU A 311 ? LEU A 323 . ? 3_565 ? 52 AD1 5 TYR A 374 ? TYR A 386 . ? 1_555 ? 53 AD1 5 MET A 418 ? MET A 430 . ? 1_555 ? 54 AD1 5 ASN A 419 ? ASN A 431 . ? 1_555 ? 55 AD1 5 HOH V . ? HOH A 627 . ? 1_555 ? 56 AD2 7 LYS A 383 ? LYS A 395 . ? 1_555 ? 57 AD2 7 ASP A 384 ? ASP A 396 . ? 1_555 ? 58 AD2 7 GLN A 407 ? GLN A 419 . ? 1_555 ? 59 AD2 7 LYS A 410 ? LYS A 422 . ? 1_555 ? 60 AD2 7 HOH V . ? HOH A 626 . ? 1_555 ? 61 AD2 7 HOH V . ? HOH A 736 . ? 1_555 ? 62 AD2 7 HOH V . ? HOH A 863 . ? 1_555 ? 63 AD3 5 ASN A 54 ? ASN A 66 . ? 1_555 ? 64 AD3 5 THR A 382 ? THR A 394 . ? 4_454 ? 65 AD3 5 HOH V . ? HOH A 739 . ? 1_555 ? 66 AD3 5 HOH V . ? HOH A 856 . ? 1_555 ? 67 AD3 5 HOH V . ? HOH A 906 . ? 1_555 ? 68 AD4 5 ASN A 116 ? ASN A 128 . ? 1_555 ? 69 AD4 5 HOH V . ? HOH A 603 . ? 1_555 ? 70 AD4 5 HOH V . ? HOH A 634 . ? 1_555 ? 71 AD4 5 HOH V . ? HOH A 651 . ? 1_555 ? 72 AD4 5 HOH V . ? HOH A 892 . ? 1_555 ? 73 AD5 4 ASN A 207 ? ASN A 219 . ? 1_555 ? 74 AD5 4 LYS A 208 ? LYS A 220 . ? 1_555 ? 75 AD5 4 TYR A 255 ? TYR A 267 . ? 1_555 ? 76 AD5 4 HOH V . ? HOH A 896 . ? 1_555 ? 77 AD6 5 ASN A 223 ? ASN A 235 . ? 1_555 ? 78 AD6 5 SER A 224 ? SER A 236 . ? 1_555 ? 79 AD6 5 TRP A 227 ? TRP A 239 . ? 1_555 ? 80 AD6 5 ASN A 228 ? ASN A 240 . ? 1_555 ? 81 AD6 5 HOH V . ? HOH A 607 . ? 1_555 ? 82 AD7 11 TYR A 339 ? TYR A 351 . ? 1_555 ? 83 AD7 11 ASN A 341 ? ASN A 353 . ? 1_555 ? 84 AD7 11 THR A 343 ? THR A 355 . ? 1_555 ? 85 AD7 11 SER A 398 ? SER A 410 . ? 1_555 ? 86 AD7 11 SER A 401 ? SER A 413 . ? 1_555 ? 87 AD7 11 HOH V . ? HOH A 619 . ? 1_555 ? 88 AD7 11 HOH V . ? HOH A 639 . ? 1_555 ? 89 AD7 11 HOH V . ? HOH A 713 . ? 1_555 ? 90 AD7 11 HOH V . ? HOH A 790 . ? 1_555 ? 91 AD7 11 HOH V . ? HOH A 799 . ? 1_555 ? 92 AD7 11 HOH V . ? HOH A 910 . ? 1_555 ? # _atom_sites.entry_id 5FC7 _atom_sites.fract_transf_matrix[1][1] 0.011444 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.011444 _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] 0.012525 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C H N O S ZN # 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 . HIS A 1 8 ? -16.029 -8.384 26.388 1.00 65.57 ? 20 HIS A N 1 ATOM 2 C CA . HIS A 1 8 ? -17.269 -7.677 26.704 1.00 83.78 ? 20 HIS A CA 1 ATOM 3 C C . HIS A 1 8 ? -18.489 -8.418 26.161 1.00 74.19 ? 20 HIS A C 1 ATOM 4 O O . HIS A 1 8 ? -18.511 -8.849 25.008 1.00 69.96 ? 20 HIS A O 1 ATOM 5 C CB . HIS A 1 8 ? -17.233 -6.260 26.135 1.00 74.09 ? 20 HIS A CB 1 ATOM 6 C CG . HIS A 1 8 ? -16.587 -5.258 27.040 1.00 127.53 ? 20 HIS A CG 1 ATOM 7 N ND1 . HIS A 1 8 ? -16.643 -5.348 28.415 1.00 116.60 ? 20 HIS A ND1 1 ATOM 8 C CD2 . HIS A 1 8 ? -15.876 -4.140 26.764 1.00 108.74 ? 20 HIS A CD2 1 ATOM 9 C CE1 . HIS A 1 8 ? -15.992 -4.329 28.947 1.00 70.41 ? 20 HIS A CE1 1 ATOM 10 N NE2 . HIS A 1 8 ? -15.517 -3.581 27.967 1.00 143.26 ? 20 HIS A NE2 1 ATOM 11 H HA . HIS A 1 8 ? -17.360 -7.612 27.667 1.00 100.54 ? 20 HIS A HA 1 ATOM 12 H HB2 . HIS A 1 8 ? -16.736 -6.271 25.303 1.00 88.91 ? 20 HIS A HB2 1 ATOM 13 H HB3 . HIS A 1 8 ? -18.143 -5.967 25.971 1.00 88.91 ? 20 HIS A HB3 1 ATOM 14 H HD2 . HIS A 1 8 ? -15.669 -3.811 25.919 1.00 130.49 ? 20 HIS A HD2 1 ATOM 15 H HE1 . HIS A 1 8 ? -15.886 -4.166 29.856 1.00 84.49 ? 20 HIS A HE1 1 ATOM 16 H HE2 . HIS A 1 8 ? -15.057 -2.861 28.066 1.00 171.91 ? 20 HIS A HE2 1 ATOM 17 N N . LYS A 1 9 ? -19.512 -8.550 26.997 1.00 69.32 ? 21 LYS A N 1 ATOM 18 C CA . LYS A 1 9 ? -20.683 -9.347 26.665 1.00 40.72 ? 21 LYS A CA 1 ATOM 19 C C . LYS A 1 9 ? -21.856 -8.453 26.264 1.00 44.76 ? 21 LYS A C 1 ATOM 20 O O . LYS A 1 9 ? -22.010 -7.333 26.756 1.00 35.66 ? 21 LYS A O 1 ATOM 21 C CB . LYS A 1 9 ? -21.087 -10.206 27.866 1.00 54.97 ? 21 LYS A CB 1 ATOM 22 C CG . LYS A 1 9 ? -19.965 -11.070 28.453 1.00 57.47 ? 21 LYS A CG 1 ATOM 23 C CD . LYS A 1 9 ? -19.597 -12.220 27.534 1.00 47.55 ? 21 LYS A CD 1 ATOM 24 C CE . LYS A 1 9 ? -19.090 -13.452 28.325 1.00 44.75 ? 21 LYS A CE 1 ATOM 25 N NZ . LYS A 1 9 ? -17.762 -13.246 28.952 1.00 61.24 ? 21 LYS A NZ 1 ATOM 26 H H . LYS A 1 9 ? -19.551 -8.183 27.773 1.00 83.18 ? 21 LYS A H 1 ATOM 27 H HA . LYS A 1 9 ? -20.475 -9.934 25.922 1.00 48.86 ? 21 LYS A HA 1 ATOM 28 H HB2 . LYS A 1 9 ? -21.404 -9.620 28.571 1.00 65.96 ? 21 LYS A HB2 1 ATOM 29 H HB3 . LYS A 1 9 ? -21.802 -10.801 27.592 1.00 65.96 ? 21 LYS A HB3 1 ATOM 30 H HG2 . LYS A 1 9 ? -19.176 -10.522 28.584 1.00 68.96 ? 21 LYS A HG2 1 ATOM 31 H HG3 . LYS A 1 9 ? -20.259 -11.441 29.300 1.00 68.96 ? 21 LYS A HG3 1 ATOM 32 H HD2 . LYS A 1 9 ? -20.381 -12.487 27.028 1.00 57.06 ? 21 LYS A HD2 1 ATOM 33 H HD3 . LYS A 1 9 ? -18.891 -11.935 26.933 1.00 57.06 ? 21 LYS A HD3 1 ATOM 34 H HE2 . LYS A 1 9 ? -19.724 -13.654 29.032 1.00 53.70 ? 21 LYS A HE2 1 ATOM 35 H HE3 . LYS A 1 9 ? -19.020 -14.207 27.720 1.00 53.70 ? 21 LYS A HE3 1 ATOM 36 H HZ1 . LYS A 1 9 ? -17.516 -13.979 29.393 1.00 73.49 ? 21 LYS A HZ1 1 ATOM 37 H HZ2 . LYS A 1 9 ? -17.155 -13.068 28.326 1.00 73.49 ? 21 LYS A HZ2 1 ATOM 38 H HZ3 . LYS A 1 9 ? -17.797 -12.563 29.522 1.00 73.49 ? 21 LYS A HZ3 1 ATOM 39 N N . LEU A 1 10 ? -22.695 -8.976 25.367 1.00 38.08 ? 22 LEU A N 1 ATOM 40 C CA . LEU A 1 10 ? -23.943 -8.321 24.963 1.00 46.61 ? 22 LEU A CA 1 ATOM 41 C C . LEU A 1 10 ? -23.718 -6.909 24.422 1.00 41.85 ? 22 LEU A C 1 ATOM 42 O O . LEU A 1 10 ? -24.465 -5.972 24.717 1.00 38.97 ? 22 LEU A O 1 ATOM 43 C CB . LEU A 1 10 ? -24.987 -8.354 26.084 1.00 40.96 ? 22 LEU A CB 1 ATOM 44 C CG . LEU A 1 10 ? -25.378 -9.795 26.439 1.00 36.30 ? 22 LEU A CG 1 ATOM 45 C CD1 . LEU A 1 10 ? -26.416 -9.825 27.559 1.00 32.63 ? 22 LEU A CD1 1 ATOM 46 C CD2 . LEU A 1 10 ? -25.902 -10.560 25.248 1.00 33.24 ? 22 LEU A CD2 1 ATOM 47 H H . LEU A 1 10 ? -22.560 -9.726 24.968 1.00 45.70 ? 22 LEU A H 1 ATOM 48 H HA . LEU A 1 10 ? -24.314 -8.836 24.230 1.00 55.93 ? 22 LEU A HA 1 ATOM 49 H HB2 . LEU A 1 10 ? -24.620 -7.934 26.877 1.00 49.15 ? 22 LEU A HB2 1 ATOM 50 H HB3 . LEU A 1 10 ? -25.785 -7.885 25.793 1.00 49.15 ? 22 LEU A HB3 1 ATOM 51 H HG . LEU A 1 10 ? -24.588 -10.258 26.759 1.00 43.56 ? 22 LEU A HG 1 ATOM 52 H HD11 . LEU A 1 10 ? -26.639 -10.748 27.757 1.00 39.16 ? 22 LEU A HD11 1 ATOM 53 H HD12 . LEU A 1 10 ? -26.042 -9.398 28.346 1.00 39.16 ? 22 LEU A HD12 1 ATOM 54 H HD13 . LEU A 1 10 ? -27.208 -9.347 27.267 1.00 39.16 ? 22 LEU A HD13 1 ATOM 55 H HD21 . LEU A 1 10 ? -26.133 -11.459 25.528 1.00 39.89 ? 22 LEU A HD21 1 ATOM 56 H HD22 . LEU A 1 10 ? -26.689 -10.108 24.904 1.00 39.89 ? 22 LEU A HD22 1 ATOM 57 H HD23 . LEU A 1 10 ? -25.214 -10.591 24.565 1.00 39.89 ? 22 LEU A HD23 1 ATOM 58 N N . VAL A 1 11 ? -22.703 -6.774 23.581 1.00 38.89 ? 23 VAL A N 1 ATOM 59 C CA . VAL A 1 11 ? -22.448 -5.540 22.837 1.00 43.16 ? 23 VAL A CA 1 ATOM 60 C C . VAL A 1 11 ? -23.038 -5.664 21.435 1.00 37.32 ? 23 VAL A C 1 ATOM 61 O O . VAL A 1 11 ? -22.922 -6.732 20.813 1.00 44.19 ? 23 VAL A O 1 ATOM 62 C CB . VAL A 1 11 ? -20.940 -5.264 22.766 1.00 52.48 ? 23 VAL A CB 1 ATOM 63 C CG1 . VAL A 1 11 ? -20.665 -3.965 22.017 1.00 76.10 ? 23 VAL A CG1 1 ATOM 64 C CG2 . VAL A 1 11 ? -20.357 -5.223 24.173 1.00 43.84 ? 23 VAL A CG2 1 ATOM 65 H H . VAL A 1 11 ? -22.133 -7.396 23.418 1.00 46.67 ? 23 VAL A H 1 ATOM 66 H HA . VAL A 1 11 ? -22.877 -4.795 23.288 1.00 51.79 ? 23 VAL A HA 1 ATOM 67 H HB . VAL A 1 11 ? -20.509 -5.986 22.283 1.00 62.98 ? 23 VAL A HB 1 ATOM 68 H HG11 . VAL A 1 11 ? -19.707 -3.815 21.986 1.00 91.32 ? 23 VAL A HG11 1 ATOM 69 H HG12 . VAL A 1 11 ? -21.018 -4.040 21.116 1.00 91.32 ? 23 VAL A HG12 1 ATOM 70 H HG13 . VAL A 1 11 ? -21.100 -3.234 22.483 1.00 91.32 ? 23 VAL A HG13 1 ATOM 71 H HG21 . VAL A 1 11 ? -19.405 -5.048 24.115 1.00 52.61 ? 23 VAL A HG21 1 ATOM 72 H HG22 . VAL A 1 11 ? -20.793 -4.516 24.675 1.00 52.61 ? 23 VAL A HG22 1 ATOM 73 H HG23 . VAL A 1 11 ? -20.511 -6.078 24.603 1.00 52.61 ? 23 VAL A HG23 1 ATOM 74 N N . PRO A 1 12 ? -23.661 -4.614 20.885 1.00 41.21 ? 24 PRO A N 1 ATOM 75 C CA . PRO A 1 12 ? -24.129 -4.685 19.492 1.00 45.98 ? 24 PRO A CA 1 ATOM 76 C C . PRO A 1 12 ? -23.039 -5.196 18.548 1.00 36.03 ? 24 PRO A C 1 ATOM 77 O O . PRO A 1 12 ? -21.856 -4.877 18.696 1.00 44.07 ? 24 PRO A O 1 ATOM 78 C CB . PRO A 1 12 ? -24.537 -3.240 19.183 1.00 44.52 ? 24 PRO A CB 1 ATOM 79 C CG . PRO A 1 12 ? -24.941 -2.682 20.520 1.00 47.00 ? 24 PRO A CG 1 ATOM 80 C CD . PRO A 1 12 ? -24.014 -3.327 21.518 1.00 43.98 ? 24 PRO A CD 1 ATOM 81 H HA . PRO A 1 12 ? -24.908 -5.260 19.427 1.00 55.18 ? 24 PRO A HA 1 ATOM 82 H HB2 . PRO A 1 12 ? -23.780 -2.754 18.819 1.00 53.42 ? 24 PRO A HB2 1 ATOM 83 H HB3 . PRO A 1 12 ? -25.284 -3.233 18.564 1.00 53.42 ? 24 PRO A HB3 1 ATOM 84 H HG2 . PRO A 1 12 ? -24.827 -1.718 20.519 1.00 56.40 ? 24 PRO A HG2 1 ATOM 85 H HG3 . PRO A 1 12 ? -25.864 -2.918 20.706 1.00 56.40 ? 24 PRO A HG3 1 ATOM 86 H HD2 . PRO A 1 12 ? -23.220 -2.783 21.642 1.00 52.78 ? 24 PRO A HD2 1 ATOM 87 H HD3 . PRO A 1 12 ? -24.475 -3.479 22.358 1.00 52.78 ? 24 PRO A HD3 1 ATOM 88 N N . LEU A 1 13 ? -23.446 -6.041 17.610 1.00 38.98 ? 25 LEU A N 1 ATOM 89 C CA . LEU A 1 13 ? -22.507 -6.700 16.708 1.00 53.52 ? 25 LEU A CA 1 ATOM 90 C C . LEU A 1 13 ? -22.042 -5.730 15.628 1.00 67.78 ? 25 LEU A C 1 ATOM 91 O O . LEU A 1 13 ? -22.862 -5.116 14.938 1.00 45.01 ? 25 LEU A O 1 ATOM 92 C CB . LEU A 1 13 ? -23.174 -7.913 16.055 1.00 40.74 ? 25 LEU A CB 1 ATOM 93 C CG . LEU A 1 13 ? -23.714 -8.953 17.043 1.00 56.53 ? 25 LEU A CG 1 ATOM 94 C CD1 . LEU A 1 13 ? -24.437 -10.066 16.303 1.00 46.46 ? 25 LEU A CD1 1 ATOM 95 C CD2 . LEU A 1 13 ? -22.591 -9.520 17.915 1.00 47.70 ? 25 LEU A CD2 1 ATOM 96 H H . LEU A 1 13 ? -24.269 -6.252 17.473 1.00 46.78 ? 25 LEU A H 1 ATOM 97 H HA . LEU A 1 13 ? -21.733 -7.003 17.207 1.00 64.22 ? 25 LEU A HA 1 ATOM 98 H HB2 . LEU A 1 13 ? -23.919 -7.604 15.517 1.00 48.89 ? 25 LEU A HB2 1 ATOM 99 H HB3 . LEU A 1 13 ? -22.523 -8.356 15.488 1.00 48.89 ? 25 LEU A HB3 1 ATOM 100 H HG . LEU A 1 13 ? -24.355 -8.523 17.630 1.00 67.84 ? 25 LEU A HG 1 ATOM 101 H HD11 . LEU A 1 13 ? -24.769 -10.710 16.948 1.00 55.75 ? 25 LEU A HD11 1 ATOM 102 H HD12 . LEU A 1 13 ? -25.177 -9.684 15.806 1.00 55.75 ? 25 LEU A HD12 1 ATOM 103 H HD13 . LEU A 1 13 ? -23.816 -10.496 15.695 1.00 55.75 ? 25 LEU A HD13 1 ATOM 104 H HD21 . LEU A 1 13 ? -22.966 -10.173 18.527 1.00 57.24 ? 25 LEU A HD21 1 ATOM 105 H HD22 . LEU A 1 13 ? -21.931 -9.943 17.344 1.00 57.24 ? 25 LEU A HD22 1 ATOM 106 H HD23 . LEU A 1 13 ? -22.183 -8.796 18.414 1.00 57.24 ? 25 LEU A HD23 1 ATOM 107 N N . ALA A 1 14 ? -20.717 -5.605 15.475 1.00 60.26 ? 26 ALA A N 1 ATOM 108 C CA . ALA A 1 14 ? -20.135 -4.701 14.493 1.00 68.38 ? 26 ALA A CA 1 ATOM 109 C C . ALA A 1 14 ? -20.165 -5.320 13.096 1.00 76.32 ? 26 ALA A C 1 ATOM 110 O O . ALA A 1 14 ? -20.165 -6.545 12.951 1.00 60.28 ? 26 ALA A O 1 ATOM 111 C CB . ALA A 1 14 ? -18.694 -4.393 14.867 1.00 61.71 ? 26 ALA A CB 1 ATOM 112 H H . ALA A 1 14 ? -20.135 -6.040 15.935 1.00 72.31 ? 26 ALA A H 1 ATOM 113 H HA . ALA A 1 14 ? -20.636 -3.871 14.476 1.00 82.06 ? 26 ALA A HA 1 ATOM 114 H HB1 . ALA A 1 14 ? -18.319 -3.791 14.205 1.00 74.05 ? 26 ALA A HB1 1 ATOM 115 H HB2 . ALA A 1 14 ? -18.678 -3.975 15.742 1.00 74.05 ? 26 ALA A HB2 1 ATOM 116 H HB3 . ALA A 1 14 ? -18.189 -5.221 14.885 1.00 74.05 ? 26 ALA A HB3 1 ATOM 117 N N . PRO A 1 15 ? -20.178 -4.493 12.052 1.00 127.27 ? 27 PRO A N 1 ATOM 118 C CA . PRO A 1 15 ? -20.270 -5.026 10.688 1.00 95.07 ? 27 PRO A CA 1 ATOM 119 C C . PRO A 1 15 ? -18.996 -5.750 10.277 1.00 84.80 ? 27 PRO A C 1 ATOM 120 O O . PRO A 1 15 ? -17.919 -5.552 10.844 1.00 79.18 ? 27 PRO A O 1 ATOM 121 C CB . PRO A 1 15 ? -20.487 -3.775 9.835 1.00 68.69 ? 27 PRO A CB 1 ATOM 122 C CG . PRO A 1 15 ? -19.833 -2.685 10.618 1.00 102.77 ? 27 PRO A CG 1 ATOM 123 C CD . PRO A 1 15 ? -20.084 -3.022 12.060 1.00 80.50 ? 27 PRO A CD 1 ATOM 124 H HA . PRO A 1 15 ? -21.031 -5.621 10.601 1.00 114.08 ? 27 PRO A HA 1 ATOM 125 H HB2 . PRO A 1 15 ? -20.059 -3.885 8.972 1.00 82.43 ? 27 PRO A HB2 1 ATOM 126 H HB3 . PRO A 1 15 ? -21.437 -3.605 9.733 1.00 82.43 ? 27 PRO A HB3 1 ATOM 127 H HG2 . PRO A 1 15 ? -18.881 -2.675 10.429 1.00 123.32 ? 27 PRO A HG2 1 ATOM 128 H HG3 . PRO A 1 15 ? -20.236 -1.833 10.390 1.00 123.32 ? 27 PRO A HG3 1 ATOM 129 H HD2 . PRO A 1 15 ? -19.339 -2.733 12.610 1.00 96.60 ? 27 PRO A HD2 1 ATOM 130 H HD3 . PRO A 1 15 ? -20.920 -2.631 12.358 1.00 96.60 ? 27 PRO A HD3 1 ATOM 131 N N . ALA A 1 16 ? -19.138 -6.598 9.261 1.00 110.80 ? 28 ALA A N 1 ATOM 132 C CA . ALA A 1 16 ? -18.025 -7.400 8.763 1.00 100.01 ? 28 ALA A CA 1 ATOM 133 C C . ALA A 1 16 ? -17.075 -6.557 7.916 1.00 86.07 ? 28 ALA A C 1 ATOM 134 O O . ALA A 1 16 ? -17.249 -5.345 7.794 1.00 82.79 ? 28 ALA A O 1 ATOM 135 C CB . ALA A 1 16 ? -18.550 -8.574 7.958 1.00 84.20 ? 28 ALA A CB 1 ATOM 136 H H . ALA A 1 16 ? -19.876 -6.728 8.840 1.00 132.96 ? 28 ALA A H 1 ATOM 137 H HA . ALA A 1 16 ? -17.525 -7.751 9.517 1.00 120.01 ? 28 ALA A HA 1 ATOM 138 H HB1 . ALA A 1 16 ? -17.799 -9.096 7.635 1.00 101.04 ? 28 ALA A HB1 1 ATOM 139 H HB2 . ALA A 1 16 ? -19.112 -9.121 8.529 1.00 101.04 ? 28 ALA A HB2 1 ATOM 140 H HB3 . ALA A 1 16 ? -19.066 -8.237 7.209 1.00 101.04 ? 28 ALA A HB3 1 ATOM 141 N N . PRO A 1 20 ? -18.765 0.647 5.134 1.00 70.41 ? 32 PRO A N 1 ATOM 142 C CA . PRO A 1 20 ? -18.964 1.408 3.902 1.00 120.55 ? 32 PRO A CA 1 ATOM 143 C C . PRO A 1 20 ? -20.432 1.434 3.472 1.00 118.85 ? 32 PRO A C 1 ATOM 144 O O . PRO A 1 20 ? -20.728 1.765 2.326 1.00 96.19 ? 32 PRO A O 1 ATOM 145 C CB . PRO A 1 20 ? -18.140 0.610 2.897 1.00 102.77 ? 32 PRO A CB 1 ATOM 146 C CG . PRO A 1 20 ? -18.338 -0.814 3.344 1.00 83.45 ? 32 PRO A CG 1 ATOM 147 C CD . PRO A 1 20 ? -18.507 -0.776 4.849 1.00 93.68 ? 32 PRO A CD 1 ATOM 148 H HA . PRO A 1 20 ? -18.616 2.310 3.983 1.00 144.66 ? 32 PRO A HA 1 ATOM 149 H HB2 . PRO A 1 20 ? -18.487 0.745 2.001 1.00 123.32 ? 32 PRO A HB2 1 ATOM 150 H HB3 . PRO A 1 20 ? -17.207 0.867 2.954 1.00 123.32 ? 32 PRO A HB3 1 ATOM 151 H HG2 . PRO A 1 20 ? -19.132 -1.177 2.923 1.00 100.14 ? 32 PRO A HG2 1 ATOM 152 H HG3 . PRO A 1 20 ? -17.558 -1.338 3.104 1.00 100.14 ? 32 PRO A HG3 1 ATOM 153 H HD2 . PRO A 1 20 ? -19.267 -1.317 5.117 1.00 112.42 ? 32 PRO A HD2 1 ATOM 154 H HD3 . PRO A 1 20 ? -17.693 -1.066 5.288 1.00 112.42 ? 32 PRO A HD3 1 ATOM 155 N N . ALA A 1 21 ? -21.333 1.093 4.391 1.00 101.09 ? 33 ALA A N 1 ATOM 156 C CA . ALA A 1 21 ? -22.742 0.950 4.056 1.00 83.61 ? 33 ALA A CA 1 ATOM 157 C C . ALA A 1 21 ? -23.307 2.253 3.491 1.00 72.52 ? 33 ALA A C 1 ATOM 158 O O . ALA A 1 21 ? -22.877 3.352 3.848 1.00 71.41 ? 33 ALA A O 1 ATOM 159 C CB . ALA A 1 21 ? -23.529 0.552 5.305 1.00 77.22 ? 33 ALA A CB 1 ATOM 160 H H . ALA A 1 21 ? -21.150 0.939 5.217 1.00 121.31 ? 33 ALA A H 1 ATOM 161 H HA . ALA A 1 21 ? -22.848 0.254 3.390 1.00 100.33 ? 33 ALA A HA 1 ATOM 162 H HB1 . ALA A 1 21 ? -24.466 0.460 5.071 1.00 92.66 ? 33 ALA A HB1 1 ATOM 163 H HB2 . ALA A 1 21 ? -23.186 -0.292 5.638 1.00 92.66 ? 33 ALA A HB2 1 ATOM 164 H HB3 . ALA A 1 21 ? -23.422 1.242 5.978 1.00 92.66 ? 33 ALA A HB3 1 ATOM 165 N N . VAL A 1 22 ? -24.280 2.116 2.593 1.00 62.50 ? 34 VAL A N 1 ATOM 166 C CA . VAL A 1 22 ? -24.977 3.250 1.992 1.00 53.08 ? 34 VAL A CA 1 ATOM 167 C C . VAL A 1 22 ? -26.477 3.028 2.152 1.00 44.49 ? 34 VAL A C 1 ATOM 168 O O . VAL A 1 22 ? -26.992 1.949 1.841 1.00 43.63 ? 34 VAL A O 1 ATOM 169 C CB . VAL A 1 22 ? -24.588 3.408 0.508 1.00 53.23 ? 34 VAL A CB 1 ATOM 170 C CG1 . VAL A 1 22 ? -25.438 4.431 -0.181 1.00 52.21 ? 34 VAL A CG1 1 ATOM 171 C CG2 . VAL A 1 22 ? -23.121 3.794 0.395 1.00 53.83 ? 34 VAL A CG2 1 ATOM 172 H H . VAL A 1 22 ? -24.561 1.355 2.308 1.00 75.00 ? 34 VAL A H 1 ATOM 173 H HA . VAL A 1 22 ? -24.734 4.063 2.462 1.00 63.69 ? 34 VAL A HA 1 ATOM 174 H HB . VAL A 1 22 ? -24.712 2.559 0.055 1.00 63.88 ? 34 VAL A HB 1 ATOM 175 H HG11 . VAL A 1 22 ? -25.161 4.499 -1.108 1.00 62.65 ? 34 VAL A HG11 1 ATOM 176 H HG12 . VAL A 1 22 ? -26.366 4.155 -0.132 1.00 62.65 ? 34 VAL A HG12 1 ATOM 177 H HG13 . VAL A 1 22 ? -25.323 5.287 0.262 1.00 62.65 ? 34 VAL A HG13 1 ATOM 178 H HG21 . VAL A 1 22 ? -22.891 3.890 -0.543 1.00 64.60 ? 34 VAL A HG21 1 ATOM 179 H HG22 . VAL A 1 22 ? -22.979 4.635 0.858 1.00 64.60 ? 34 VAL A HG22 1 ATOM 180 H HG23 . VAL A 1 22 ? -22.579 3.098 0.799 1.00 64.60 ? 34 VAL A HG23 1 ATOM 181 N N . GLY A 1 23 ? -27.173 4.033 2.634 1.00 37.56 ? 35 GLY A N 1 ATOM 182 C CA . GLY A 1 23 ? -28.615 3.979 2.689 1.00 33.18 ? 35 GLY A CA 1 ATOM 183 C C . GLY A 1 23 ? -29.223 4.473 1.382 1.00 31.55 ? 35 GLY A C 1 ATOM 184 O O . GLY A 1 23 ? -28.623 5.248 0.660 1.00 30.44 ? 35 GLY A O 1 ATOM 185 H H . GLY A 1 23 ? -26.833 4.763 2.937 1.00 45.07 ? 35 GLY A H 1 ATOM 186 H HA2 . GLY A 1 23 ? -28.904 3.066 2.843 1.00 39.82 ? 35 GLY A HA2 1 ATOM 187 H HA3 . GLY A 1 23 ? -28.938 4.536 3.414 1.00 39.82 ? 35 GLY A HA3 1 ATOM 188 N N . GLN A 1 24 ? -30.442 4.030 1.096 1.00 31.47 ? 36 GLN A N 1 ATOM 189 C CA . GLN A 1 24 ? -31.122 4.475 -0.104 1.00 29.70 ? 36 GLN A CA 1 ATOM 190 C C . GLN A 1 24 ? -32.612 4.669 0.142 1.00 28.07 ? 36 GLN A C 1 ATOM 191 O O . GLN A 1 24 ? -33.222 3.974 0.952 1.00 29.18 ? 36 GLN A O 1 ATOM 192 C CB . GLN A 1 24 ? -30.958 3.458 -1.247 1.00 31.28 ? 36 GLN A CB 1 ATOM 193 C CG . GLN A 1 24 ? -29.534 2.994 -1.477 1.00 33.76 ? 36 GLN A CG 1 ATOM 194 C CD . GLN A 1 24 ? -29.342 2.256 -2.792 1.00 35.67 ? 36 GLN A CD 1 ATOM 195 O OE1 . GLN A 1 24 ? -28.530 2.656 -3.631 1.00 38.79 ? 36 GLN A OE1 1 ATOM 196 N NE2 . GLN A 1 24 ? -30.077 1.172 -2.980 1.00 35.43 ? 36 GLN A NE2 1 ATOM 197 H H . GLN A 1 24 ? -30.890 3.476 1.577 1.00 37.77 ? 36 GLN A H 1 ATOM 198 H HA . GLN A 1 24 ? -30.747 5.322 -0.391 1.00 35.64 ? 36 GLN A HA 1 ATOM 199 H HB2 . GLN A 1 24 ? -31.494 2.675 -1.045 1.00 37.54 ? 36 GLN A HB2 1 ATOM 200 H HB3 . GLN A 1 24 ? -31.271 3.864 -2.071 1.00 37.54 ? 36 GLN A HB3 1 ATOM 201 H HG2 . GLN A 1 24 ? -28.948 3.767 -1.481 1.00 40.52 ? 36 GLN A HG2 1 ATOM 202 H HG3 . GLN A 1 24 ? -29.280 2.392 -0.759 1.00 40.52 ? 36 GLN A HG3 1 ATOM 203 H HE21 . GLN A 1 24 ? -30.629 0.916 -2.373 1.00 42.51 ? 36 GLN A HE21 1 ATOM 204 H HE22 . GLN A 1 24 ? -30.001 0.723 -3.710 1.00 42.51 ? 36 GLN A HE22 1 ATOM 205 N N . PHE A 1 25 ? -33.214 5.577 -0.629 1.00 27.62 ? 37 PHE A N 1 ATOM 206 C CA . PHE A 1 25 ? -34.660 5.733 -0.623 1.00 25.14 ? 37 PHE A CA 1 ATOM 207 C C . PHE A 1 25 ? -35.137 6.121 -2.018 1.00 24.58 ? 37 PHE A C 1 ATOM 208 O O . PHE A 1 25 ? -34.393 6.706 -2.814 1.00 25.47 ? 37 PHE A O 1 ATOM 209 C CB . PHE A 1 25 ? -35.158 6.722 0.424 1.00 23.91 ? 37 PHE A CB 1 ATOM 210 C CG . PHE A 1 25 ? -34.762 8.173 0.180 1.00 24.24 ? 37 PHE A CG 1 ATOM 211 C CD1 . PHE A 1 25 ? -35.595 9.054 -0.529 1.00 24.54 ? 37 PHE A CD1 1 ATOM 212 C CD2 . PHE A 1 25 ? -33.578 8.678 0.716 1.00 25.53 ? 37 PHE A CD2 1 ATOM 213 C CE1 . PHE A 1 25 ? -35.221 10.400 -0.696 1.00 25.91 ? 37 PHE A CE1 1 ATOM 214 C CE2 . PHE A 1 25 ? -33.223 10.007 0.555 1.00 26.36 ? 37 PHE A CE2 1 ATOM 215 C CZ . PHE A 1 25 ? -34.039 10.864 -0.145 1.00 27.13 ? 37 PHE A CZ 1 ATOM 216 H H . PHE A 1 25 ? -32.804 6.111 -1.163 1.00 33.15 ? 37 PHE A H 1 ATOM 217 H HA . PHE A 1 25 ? -35.055 4.873 -0.413 1.00 30.17 ? 37 PHE A HA 1 ATOM 218 H HB2 . PHE A 1 25 ? -36.127 6.682 0.449 1.00 28.70 ? 37 PHE A HB2 1 ATOM 219 H HB3 . PHE A 1 25 ? -34.800 6.463 1.288 1.00 28.70 ? 37 PHE A HB3 1 ATOM 220 H HD1 . PHE A 1 25 ? -36.396 8.748 -0.888 1.00 29.44 ? 37 PHE A HD1 1 ATOM 221 H HD2 . PHE A 1 25 ? -33.023 8.114 1.204 1.00 30.64 ? 37 PHE A HD2 1 ATOM 222 H HE1 . PHE A 1 25 ? -35.770 10.979 -1.173 1.00 31.09 ? 37 PHE A HE1 1 ATOM 223 H HE2 . PHE A 1 25 ? -32.423 10.318 0.914 1.00 31.63 ? 37 PHE A HE2 1 ATOM 224 H HZ . PHE A 1 25 ? -33.785 11.750 -0.269 1.00 32.56 ? 37 PHE A HZ 1 ATOM 225 N N . TRP A 1 26 ? -36.370 5.744 -2.331 1.00 25.14 ? 38 TRP A N 1 ATOM 226 C CA . TRP A 1 26 ? -37.002 6.101 -3.602 1.00 24.68 ? 38 TRP A CA 1 ATOM 227 C C . TRP A 1 26 ? -37.805 7.384 -3.468 1.00 23.07 ? 38 TRP A C 1 ATOM 228 O O . TRP A 1 26 ? -38.351 7.687 -2.405 1.00 23.93 ? 38 TRP A O 1 ATOM 229 C CB . TRP A 1 26 ? -37.948 4.980 -4.057 1.00 24.42 ? 38 TRP A CB 1 ATOM 230 C CG . TRP A 1 26 ? -37.270 3.696 -4.445 1.00 26.03 ? 38 TRP A CG 1 ATOM 231 C CD1 . TRP A 1 26 ? -37.078 2.592 -3.655 1.00 26.31 ? 38 TRP A CD1 1 ATOM 232 C CD2 . TRP A 1 26 ? -36.657 3.395 -5.704 1.00 27.20 ? 38 TRP A CD2 1 ATOM 233 N NE1 . TRP A 1 26 ? -36.392 1.617 -4.357 1.00 28.35 ? 38 TRP A NE1 1 ATOM 234 C CE2 . TRP A 1 26 ? -36.125 2.094 -5.614 1.00 27.79 ? 38 TRP A CE2 1 ATOM 235 C CE3 . TRP A 1 26 ? -36.516 4.101 -6.917 1.00 27.24 ? 38 TRP A CE3 1 ATOM 236 C CZ2 . TRP A 1 26 ? -35.476 1.491 -6.678 1.00 28.22 ? 38 TRP A CZ2 1 ATOM 237 C CZ3 . TRP A 1 26 ? -35.862 3.496 -7.960 1.00 29.35 ? 38 TRP A CZ3 1 ATOM 238 C CH2 . TRP A 1 26 ? -35.364 2.202 -7.837 1.00 28.75 ? 38 TRP A CH2 1 ATOM 239 H H . TRP A 1 26 ? -36.873 5.273 -1.817 1.00 30.16 ? 38 TRP A H 1 ATOM 240 H HA . TRP A 1 26 ? -36.321 6.230 -4.281 1.00 29.62 ? 38 TRP A HA 1 ATOM 241 H HB2 . TRP A 1 26 ? -38.561 4.779 -3.331 1.00 29.30 ? 38 TRP A HB2 1 ATOM 242 H HB3 . TRP A 1 26 ? -38.448 5.291 -4.827 1.00 29.30 ? 38 TRP A HB3 1 ATOM 243 H HD1 . TRP A 1 26 ? -37.365 2.511 -2.774 1.00 31.57 ? 38 TRP A HD1 1 ATOM 244 H HE1 . TRP A 1 26 ? -36.171 0.843 -4.055 1.00 34.02 ? 38 TRP A HE1 1 ATOM 245 H HE3 . TRP A 1 26 ? -36.855 4.963 -7.006 1.00 32.69 ? 38 TRP A HE3 1 ATOM 246 H HZ2 . TRP A 1 26 ? -35.132 0.629 -6.606 1.00 33.86 ? 38 TRP A HZ2 1 ATOM 247 H HZ3 . TRP A 1 26 ? -35.764 3.950 -8.765 1.00 35.22 ? 38 TRP A HZ3 1 ATOM 248 H HH2 . TRP A 1 26 ? -34.922 1.819 -8.560 1.00 34.50 ? 38 TRP A HH2 1 ATOM 249 N N . HIS A 1 27 ? -37.911 8.107 -4.585 1.00 22.30 ? 39 HIS A N 1 ATOM 250 C CA . HIS A 1 27 ? -38.794 9.257 -4.745 1.00 22.07 ? 39 HIS A CA 1 ATOM 251 C C . HIS A 1 27 ? -39.611 9.071 -6.024 1.00 21.64 ? 39 HIS A C 1 ATOM 252 O O . HIS A 1 27 ? -39.057 8.926 -7.128 1.00 22.73 ? 39 HIS A O 1 ATOM 253 C CB . HIS A 1 27 ? -37.957 10.549 -4.821 1.00 21.81 ? 39 HIS A CB 1 ATOM 254 C CG . HIS A 1 27 ? -38.767 11.794 -4.930 1.00 21.46 ? 39 HIS A CG 1 ATOM 255 N ND1 . HIS A 1 27 ? -38.222 13.032 -5.220 1.00 22.82 ? 39 HIS A ND1 1 ATOM 256 C CD2 . HIS A 1 27 ? -40.095 11.998 -4.787 1.00 21.66 ? 39 HIS A CD2 1 ATOM 257 C CE1 . HIS A 1 27 ? -39.186 13.937 -5.250 1.00 22.07 ? 39 HIS A CE1 1 ATOM 258 N NE2 . HIS A 1 27 ? -40.330 13.329 -5.004 1.00 22.30 ? 39 HIS A NE2 1 ATOM 259 H H . HIS A 1 27 ? -37.456 7.939 -5.295 1.00 26.76 ? 39 HIS A H 1 ATOM 260 H HA . HIS A 1 27 ? -39.400 9.318 -3.990 1.00 26.49 ? 39 HIS A HA 1 ATOM 261 H HB2 . HIS A 1 27 ? -37.416 10.617 -4.019 1.00 26.17 ? 39 HIS A HB2 1 ATOM 262 H HB3 . HIS A 1 27 ? -37.381 10.501 -5.601 1.00 26.17 ? 39 HIS A HB3 1 ATOM 263 H HD2 . HIS A 1 27 ? -40.734 11.350 -4.595 1.00 26.00 ? 39 HIS A HD2 1 ATOM 264 H HE1 . HIS A 1 27 ? -39.077 14.843 -5.426 1.00 26.48 ? 39 HIS A HE1 1 ATOM 265 H HE2 . HIS A 1 27 ? -41.099 13.712 -4.964 1.00 26.76 ? 39 HIS A HE2 1 ATOM 266 N N . VAL A 1 28 ? -40.925 9.019 -5.862 1.00 21.11 ? 40 VAL A N 1 ATOM 267 C CA . VAL A 1 28 ? -41.879 8.930 -6.952 1.00 22.76 ? 40 VAL A CA 1 ATOM 268 C C . VAL A 1 28 ? -42.812 10.118 -6.804 1.00 23.01 ? 40 VAL A C 1 ATOM 269 O O . VAL A 1 28 ? -43.044 10.609 -5.697 1.00 23.31 ? 40 VAL A O 1 ATOM 270 C CB . VAL A 1 28 ? -42.648 7.607 -6.977 1.00 24.57 ? 40 VAL A CB 1 ATOM 271 C CG1 . VAL A 1 28 ? -41.673 6.447 -7.088 1.00 25.89 ? 40 VAL A CG1 1 ATOM 272 C CG2 . VAL A 1 28 ? -43.540 7.452 -5.772 1.00 27.19 ? 40 VAL A CG2 1 ATOM 273 H H . VAL A 1 28 ? -41.303 9.034 -5.090 1.00 25.33 ? 40 VAL A H 1 ATOM 274 H HA . VAL A 1 28 ? -41.407 9.020 -7.795 1.00 27.31 ? 40 VAL A HA 1 ATOM 275 H HB . VAL A 1 28 ? -43.214 7.592 -7.765 1.00 29.48 ? 40 VAL A HB 1 ATOM 276 H HG11 . VAL A 1 28 ? -42.173 5.616 -7.103 1.00 31.07 ? 40 VAL A HG11 1 ATOM 277 H HG12 . VAL A 1 28 ? -41.163 6.542 -7.908 1.00 31.07 ? 40 VAL A HG12 1 ATOM 278 H HG13 . VAL A 1 28 ? -41.077 6.462 -6.323 1.00 31.07 ? 40 VAL A HG13 1 ATOM 279 H HG21 . VAL A 1 28 ? -44.006 6.603 -5.832 1.00 32.63 ? 40 VAL A HG21 1 ATOM 280 H HG22 . VAL A 1 28 ? -42.995 7.475 -4.971 1.00 32.63 ? 40 VAL A HG22 1 ATOM 281 H HG23 . VAL A 1 28 ? -44.181 8.180 -5.758 1.00 32.63 ? 40 VAL A HG23 1 ATOM 282 N N . THR A 1 29 ? -43.308 10.606 -7.929 1.00 22.06 ? 41 THR A N 1 ATOM 283 C CA . THR A 1 29 ? -44.156 11.798 -7.919 1.00 21.69 ? 41 THR A CA 1 ATOM 284 C C . THR A 1 29 ? -45.022 11.889 -9.169 1.00 21.61 ? 41 THR A C 1 ATOM 285 O O . THR A 1 29 ? -44.698 11.353 -10.228 1.00 22.26 ? 41 THR A O 1 ATOM 286 C CB . THR A 1 29 ? -43.331 13.077 -7.700 1.00 23.23 ? 41 THR A CB 1 ATOM 287 O OG1 . THR A 1 29 ? -44.179 14.191 -7.343 1.00 23.14 ? 41 THR A OG1 1 ATOM 288 C CG2 . THR A 1 29 ? -42.525 13.426 -8.878 1.00 23.88 ? 41 THR A CG2 1 ATOM 289 H H . THR A 1 29 ? -43.172 10.272 -8.710 1.00 26.47 ? 41 THR A H 1 ATOM 290 H HA . THR A 1 29 ? -44.761 11.724 -7.164 1.00 26.03 ? 41 THR A HA 1 ATOM 291 H HB . THR A 1 29 ? -42.714 12.919 -6.968 1.00 27.88 ? 41 THR A HB 1 ATOM 292 H HG1 . THR A 1 29 ? -44.594 14.020 -6.633 1.00 27.77 ? 41 THR A HG1 1 ATOM 293 H HG21 . THR A 1 29 ? -42.019 14.235 -8.706 1.00 28.66 ? 41 THR A HG21 1 ATOM 294 H HG22 . THR A 1 29 ? -41.908 12.705 -9.082 1.00 28.66 ? 41 THR A HG22 1 ATOM 295 H HG23 . THR A 1 29 ? -43.103 13.572 -9.643 1.00 28.66 ? 41 THR A HG23 1 ATOM 296 N N . ASP A 1 30 ? -46.132 12.594 -9.026 1.00 21.59 ? 42 ASP A N 1 ATOM 297 C CA . ASP A 1 30 ? -46.966 12.995 -10.155 1.00 21.13 ? 42 ASP A CA 1 ATOM 298 C C . ASP A 1 30 ? -47.360 11.792 -11.011 1.00 22.50 ? 42 ASP A C 1 ATOM 299 O O . ASP A 1 30 ? -47.084 11.738 -12.208 1.00 22.83 ? 42 ASP A O 1 ATOM 300 C CB . ASP A 1 30 ? -46.262 14.095 -10.957 1.00 22.81 ? 42 ASP A CB 1 ATOM 301 C CG . ASP A 1 30 ? -46.177 15.398 -10.187 1.00 22.36 ? 42 ASP A CG 1 ATOM 302 O OD1 . ASP A 1 30 ? -47.136 16.188 -10.315 1.00 22.77 ? 42 ASP A OD1 1 ATOM 303 O OD2 . ASP A 1 30 ? -45.173 15.630 -9.448 1.00 22.37 ? 42 ASP A OD2 1 ATOM 304 H H . ASP A 1 30 ? -46.434 12.860 -8.266 1.00 25.91 ? 42 ASP A H 1 ATOM 305 H HA . ASP A 1 30 ? -47.786 13.377 -9.805 1.00 25.35 ? 42 ASP A HA 1 ATOM 306 H HB2 . ASP A 1 30 ? -45.360 13.808 -11.166 1.00 27.37 ? 42 ASP A HB2 1 ATOM 307 H HB3 . ASP A 1 30 ? -46.758 14.259 -11.774 1.00 27.37 ? 42 ASP A HB3 1 ATOM 308 N N . LEU A 1 31 ? -48.010 10.823 -10.339 1.00 21.64 ? 43 LEU A N 1 ATOM 309 C CA . LEU A 1 31 ? -48.461 9.600 -10.990 1.00 22.74 ? 43 LEU A CA 1 ATOM 310 C C . LEU A 1 31 ? -49.592 9.871 -11.977 1.00 22.98 ? 43 LEU A C 1 ATOM 311 O O . LEU A 1 31 ? -49.629 9.286 -13.073 1.00 23.36 ? 43 LEU A O 1 ATOM 312 C CB . LEU A 1 31 ? -48.886 8.576 -9.932 1.00 22.65 ? 43 LEU A CB 1 ATOM 313 C CG . LEU A 1 31 ? -47.782 8.158 -8.943 1.00 24.20 ? 43 LEU A CG 1 ATOM 314 C CD1 . LEU A 1 31 ? -48.317 7.185 -7.873 1.00 25.85 ? 43 LEU A CD1 1 ATOM 315 C CD2 . LEU A 1 31 ? -46.579 7.526 -9.640 1.00 26.21 ? 43 LEU A CD2 1 ATOM 316 H H . LEU A 1 31 ? -48.198 10.860 -9.501 1.00 25.96 ? 43 LEU A H 1 ATOM 317 H HA . LEU A 1 31 ? -47.720 9.220 -11.487 1.00 27.29 ? 43 LEU A HA 1 ATOM 318 H HB2 . LEU A 1 31 ? -49.614 8.953 -9.414 1.00 27.18 ? 43 LEU A HB2 1 ATOM 319 H HB3 . LEU A 1 31 ? -49.191 7.774 -10.385 1.00 27.18 ? 43 LEU A HB3 1 ATOM 320 H HG . LEU A 1 31 ? -47.467 8.951 -8.482 1.00 29.04 ? 43 LEU A HG 1 ATOM 321 H HD11 . LEU A 1 31 ? -47.593 6.947 -7.273 1.00 31.01 ? 43 LEU A HD11 1 ATOM 322 H HD12 . LEU A 1 31 ? -49.028 7.620 -7.378 1.00 31.01 ? 43 LEU A HD12 1 ATOM 323 H HD13 . LEU A 1 31 ? -48.657 6.390 -8.312 1.00 31.01 ? 43 LEU A HD13 1 ATOM 324 H HD21 . LEU A 1 31 ? -45.919 7.284 -8.972 1.00 31.46 ? 43 LEU A HD21 1 ATOM 325 H HD22 . LEU A 1 31 ? -46.871 6.735 -10.119 1.00 31.46 ? 43 LEU A HD22 1 ATOM 326 H HD23 . LEU A 1 31 ? -46.201 8.169 -10.261 1.00 31.46 ? 43 LEU A HD23 1 ATOM 327 N N . HIS A 1 32 ? -50.516 10.747 -11.604 1.00 23.13 ? 44 HIS A N 1 ATOM 328 C CA . HIS A 1 32 ? -51.629 11.173 -12.448 1.00 21.17 ? 44 HIS A CA 1 ATOM 329 C C . HIS A 1 32 ? -52.247 9.997 -13.209 1.00 24.22 ? 44 HIS A C 1 ATOM 330 O O . HIS A 1 32 ? -52.250 9.944 -14.444 1.00 24.82 ? 44 HIS A O 1 ATOM 331 C CB . HIS A 1 32 ? -51.213 12.267 -13.413 1.00 23.18 ? 44 HIS A CB 1 ATOM 332 C CG . HIS A 1 32 ? -50.858 13.569 -12.761 1.00 22.32 ? 44 HIS A CG 1 ATOM 333 N ND1 . HIS A 1 32 ? -51.800 14.446 -12.272 1.00 22.17 ? 44 HIS A ND1 1 ATOM 334 C CD2 . HIS A 1 32 ? -49.660 14.180 -12.611 1.00 22.24 ? 44 HIS A CD2 1 ATOM 335 C CE1 . HIS A 1 32 ? -51.189 15.538 -11.832 1.00 22.37 ? 44 HIS A CE1 1 ATOM 336 N NE2 . HIS A 1 32 ? -49.892 15.402 -12.037 1.00 21.93 ? 44 HIS A NE2 1 ATOM 337 H H . HIS A 1 32 ? -50.519 11.125 -10.832 1.00 27.75 ? 44 HIS A H 1 ATOM 338 H HA . HIS A 1 32 ? -52.321 11.541 -11.876 1.00 25.40 ? 44 HIS A HA 1 ATOM 339 H HB2 . HIS A 1 32 ? -50.436 11.964 -13.909 1.00 27.81 ? 44 HIS A HB2 1 ATOM 340 H HB3 . HIS A 1 32 ? -51.946 12.435 -14.027 1.00 27.81 ? 44 HIS A HB3 1 ATOM 341 H HD1 . HIS A 1 32 ? -52.649 14.312 -12.261 1.00 26.61 ? 44 HIS A HD1 1 ATOM 342 H HD2 . HIS A 1 32 ? -48.833 13.840 -12.866 1.00 26.69 ? 44 HIS A HD2 1 ATOM 343 H HE1 . HIS A 1 32 ? -51.603 16.270 -11.435 1.00 26.84 ? 44 HIS A HE1 1 ATOM 344 N N . LEU A 1 33 ? -52.819 9.072 -12.444 1.00 23.34 ? 45 LEU A N 1 ATOM 345 C CA . LEU A 1 33 ? -53.565 7.955 -13.037 1.00 24.26 ? 45 LEU A CA 1 ATOM 346 C C . LEU A 1 33 ? -54.763 8.469 -13.823 1.00 25.07 ? 45 LEU A C 1 ATOM 347 O O . LEU A 1 33 ? -55.562 9.246 -13.303 1.00 25.23 ? 45 LEU A O 1 ATOM 348 C CB . LEU A 1 33 ? -54.093 7.059 -11.916 1.00 25.08 ? 45 LEU A CB 1 ATOM 349 C CG . LEU A 1 33 ? -54.996 5.920 -12.409 1.00 26.40 ? 45 LEU A CG 1 ATOM 350 C CD1 . LEU A 1 33 ? -54.239 4.893 -13.259 1.00 26.54 ? 45 LEU A CD1 1 ATOM 351 C CD2 . LEU A 1 33 ? -55.676 5.231 -11.223 1.00 27.33 ? 45 LEU A CD2 1 ATOM 352 H H . LEU A 1 33 ? -52.793 9.064 -11.585 1.00 28.00 ? 45 LEU A H 1 ATOM 353 H HA . LEU A 1 33 ? -52.991 7.437 -13.623 1.00 29.11 ? 45 LEU A HA 1 ATOM 354 H HB2 . LEU A 1 33 ? -53.339 6.660 -11.454 1.00 30.10 ? 45 LEU A HB2 1 ATOM 355 H HB3 . LEU A 1 33 ? -54.608 7.600 -11.299 1.00 30.10 ? 45 LEU A HB3 1 ATOM 356 H HG . LEU A 1 33 ? -55.694 6.300 -12.965 1.00 31.68 ? 45 LEU A HG 1 ATOM 357 H HD11 . LEU A 1 33 ? -54.856 4.200 -13.541 1.00 31.85 ? 45 LEU A HD11 1 ATOM 358 H HD12 . LEU A 1 33 ? -53.865 5.339 -14.035 1.00 31.85 ? 45 LEU A HD12 1 ATOM 359 H HD13 . LEU A 1 33 ? -53.528 4.505 -12.725 1.00 31.85 ? 45 LEU A HD13 1 ATOM 360 H HD21 . LEU A 1 33 ? -56.242 4.517 -11.555 1.00 32.80 ? 45 LEU A HD21 1 ATOM 361 H HD22 . LEU A 1 33 ? -54.995 4.869 -10.635 1.00 32.80 ? 45 LEU A HD22 1 ATOM 362 H HD23 . LEU A 1 33 ? -56.213 5.883 -10.745 1.00 32.80 ? 45 LEU A HD23 1 ATOM 363 N N . ASP A 1 34 ? -54.921 7.986 -15.066 1.00 24.89 ? 46 ASP A N 1 ATOM 364 C CA . ASP A 1 34 ? -56.142 8.209 -15.833 1.00 25.90 ? 46 ASP A CA 1 ATOM 365 C C . ASP A 1 34 ? -56.862 6.879 -15.998 1.00 26.47 ? 46 ASP A C 1 ATOM 366 O O . ASP A 1 34 ? -56.507 6.072 -16.880 1.00 26.28 ? 46 ASP A O 1 ATOM 367 C CB . ASP A 1 34 ? -55.856 8.839 -17.196 1.00 26.50 ? 46 ASP A CB 1 ATOM 368 C CG . ASP A 1 34 ? -57.130 9.237 -17.923 1.00 28.29 ? 46 ASP A CG 1 ATOM 369 O OD1 . ASP A 1 34 ? -58.221 8.801 -17.509 1.00 28.70 ? 46 ASP A OD1 1 ATOM 370 O OD2 . ASP A 1 34 ? -57.038 9.967 -18.930 1.00 28.95 ? 46 ASP A OD2 1 ATOM 371 H H . ASP A 1 34 ? -54.328 7.524 -15.483 1.00 29.86 ? 46 ASP A H 1 ATOM 372 H HA . ASP A 1 34 ? -56.723 8.808 -15.339 1.00 31.07 ? 46 ASP A HA 1 ATOM 373 H HB2 . ASP A 1 34 ? -55.319 9.636 -17.070 1.00 31.80 ? 46 ASP A HB2 1 ATOM 374 H HB3 . ASP A 1 34 ? -55.381 8.199 -17.748 1.00 31.80 ? 46 ASP A HB3 1 ATOM 375 N N . PRO A 1 35 ? -57.841 6.585 -15.142 1.00 27.20 ? 47 PRO A N 1 ATOM 376 C CA . PRO A 1 35 ? -58.570 5.315 -15.236 1.00 27.82 ? 47 PRO A CA 1 ATOM 377 C C . PRO A 1 35 ? -59.338 5.144 -16.528 1.00 28.67 ? 47 PRO A C 1 ATOM 378 O O . PRO A 1 35 ? -59.849 4.042 -16.763 1.00 29.57 ? 47 PRO A O 1 ATOM 379 C CB . PRO A 1 35 ? -59.523 5.383 -14.035 1.00 29.02 ? 47 PRO A CB 1 ATOM 380 C CG . PRO A 1 35 ? -58.883 6.390 -13.113 1.00 28.05 ? 47 PRO A CG 1 ATOM 381 C CD . PRO A 1 35 ? -58.327 7.407 -14.028 1.00 27.21 ? 47 PRO A CD 1 ATOM 382 H HA . PRO A 1 35 ? -57.962 4.568 -15.121 1.00 33.38 ? 47 PRO A HA 1 ATOM 383 H HB2 . PRO A 1 35 ? -60.398 5.687 -14.325 1.00 34.82 ? 47 PRO A HB2 1 ATOM 384 H HB3 . PRO A 1 35 ? -59.581 4.513 -13.610 1.00 34.82 ? 47 PRO A HB3 1 ATOM 385 H HG2 . PRO A 1 35 ? -59.555 6.778 -12.531 1.00 33.66 ? 47 PRO A HG2 1 ATOM 386 H HG3 . PRO A 1 35 ? -58.180 5.966 -12.597 1.00 33.66 ? 47 PRO A HG3 1 ATOM 387 H HD2 . PRO A 1 35 ? -59.022 8.014 -14.328 1.00 32.65 ? 47 PRO A HD2 1 ATOM 388 H HD3 . PRO A 1 35 ? -57.592 7.880 -13.606 1.00 32.65 ? 47 PRO A HD3 1 ATOM 389 N N . THR A 1 36 ? -59.462 6.184 -17.353 1.00 28.87 ? 48 THR A N 1 ATOM 390 C CA . THR A 1 36 ? -60.191 6.063 -18.612 1.00 29.74 ? 48 THR A CA 1 ATOM 391 C C . THR A 1 36 ? -59.331 5.528 -19.742 1.00 29.90 ? 48 THR A C 1 ATOM 392 O O . THR A 1 36 ? -59.871 5.211 -20.812 1.00 30.19 ? 48 THR A O 1 ATOM 393 C CB . THR A 1 36 ? -60.800 7.404 -19.063 1.00 31.11 ? 48 THR A CB 1 ATOM 394 O OG1 . THR A 1 36 ? -59.784 8.281 -19.555 1.00 30.69 ? 48 THR A OG1 1 ATOM 395 C CG2 . THR A 1 36 ? -61.490 8.102 -17.928 1.00 32.64 ? 48 THR A CG2 1 ATOM 396 H H . THR A 1 36 ? -59.134 6.966 -17.207 1.00 34.65 ? 48 THR A H 1 ATOM 397 H HA . THR A 1 36 ? -60.923 5.439 -18.483 1.00 35.68 ? 48 THR A HA 1 ATOM 398 H HB . THR A 1 36 ? -61.452 7.241 -19.763 1.00 37.33 ? 48 THR A HB 1 ATOM 399 H HG1 . THR A 1 36 ? -59.219 8.434 -18.952 1.00 36.83 ? 48 THR A HG1 1 ATOM 400 H HG21 . THR A 1 36 ? -61.865 8.942 -18.236 1.00 39.17 ? 48 THR A HG21 1 ATOM 401 H HG22 . THR A 1 36 ? -62.205 7.545 -17.583 1.00 39.17 ? 48 THR A HG22 1 ATOM 402 H HG23 . THR A 1 36 ? -60.857 8.281 -17.216 1.00 39.17 ? 48 THR A HG23 1 ATOM 403 N N . TYR A 1 37 ? -58.029 5.395 -19.525 1.00 29.75 ? 49 TYR A N 1 ATOM 404 C CA . TYR A 1 37 ? -57.120 5.102 -20.625 1.00 29.83 ? 49 TYR A CA 1 ATOM 405 C C . TYR A 1 37 ? -57.393 3.737 -21.248 1.00 30.55 ? 49 TYR A C 1 ATOM 406 O O . TYR A 1 37 ? -57.401 2.714 -20.566 1.00 30.81 ? 49 TYR A O 1 ATOM 407 C CB . TYR A 1 37 ? -55.676 5.152 -20.128 1.00 29.00 ? 49 TYR A CB 1 ATOM 408 C CG . TYR A 1 37 ? -54.736 5.128 -21.291 1.00 27.50 ? 49 TYR A CG 1 ATOM 409 C CD1 . TYR A 1 37 ? -54.241 6.315 -21.805 1.00 28.18 ? 49 TYR A CD1 1 ATOM 410 C CD2 . TYR A 1 37 ? -54.356 3.935 -21.884 1.00 27.63 ? 49 TYR A CD2 1 ATOM 411 C CE1 . TYR A 1 37 ? -53.394 6.327 -22.891 1.00 29.71 ? 49 TYR A CE1 1 ATOM 412 C CE2 . TYR A 1 37 ? -53.495 3.936 -22.972 1.00 27.50 ? 49 TYR A CE2 1 ATOM 413 C CZ . TYR A 1 37 ? -53.019 5.143 -23.473 1.00 29.26 ? 49 TYR A CZ 1 ATOM 414 O OH . TYR A 1 37 ? -52.165 5.194 -24.575 1.00 30.05 ? 49 TYR A OH 1 ATOM 415 H H . TYR A 1 37 ? -57.648 5.470 -18.758 1.00 35.69 ? 49 TYR A H 1 ATOM 416 H HA . TYR A 1 37 ? -57.227 5.776 -21.315 1.00 35.79 ? 49 TYR A HA 1 ATOM 417 H HB2 . TYR A 1 37 ? -55.531 5.973 -19.631 1.00 34.80 ? 49 TYR A HB2 1 ATOM 418 H HB3 . TYR A 1 37 ? -55.497 4.379 -19.570 1.00 34.80 ? 49 TYR A HB3 1 ATOM 419 H HD1 . TYR A 1 37 ? -54.498 7.121 -21.419 1.00 33.82 ? 49 TYR A HD1 1 ATOM 420 H HD2 . TYR A 1 37 ? -54.680 3.130 -21.552 1.00 33.15 ? 49 TYR A HD2 1 ATOM 421 H HE1 . TYR A 1 37 ? -53.074 7.134 -23.224 1.00 35.65 ? 49 TYR A HE1 1 ATOM 422 H HE2 . TYR A 1 37 ? -53.245 3.134 -23.371 1.00 33.00 ? 49 TYR A HE2 1 ATOM 423 H HH . TYR A 1 37 ? -52.003 4.416 -24.849 1.00 36.06 ? 49 TYR A HH 1 ATOM 424 N N . HIS A 1 38 ? -57.580 3.720 -22.562 1.00 31.99 ? 50 HIS A N 1 ATOM 425 C CA . HIS A 1 38 ? -57.643 2.455 -23.269 1.00 34.06 ? 50 HIS A CA 1 ATOM 426 C C . HIS A 1 38 ? -57.327 2.686 -24.734 1.00 35.08 ? 50 HIS A C 1 ATOM 427 O O . HIS A 1 38 ? -57.605 3.753 -25.277 1.00 35.65 ? 50 HIS A O 1 ATOM 428 C CB . HIS A 1 38 ? -58.993 1.771 -23.062 1.00 36.11 ? 50 HIS A CB 1 ATOM 429 C CG . HIS A 1 38 ? -60.162 2.496 -23.643 1.00 38.35 ? 50 HIS A CG 1 ATOM 430 N ND1 . HIS A 1 38 ? -61.300 1.835 -24.049 1.00 38.88 ? 50 HIS A ND1 1 ATOM 431 C CD2 . HIS A 1 38 ? -60.382 3.808 -23.883 1.00 39.35 ? 50 HIS A CD2 1 ATOM 432 C CE1 . HIS A 1 38 ? -62.174 2.710 -24.511 1.00 39.38 ? 50 HIS A CE1 1 ATOM 433 N NE2 . HIS A 1 38 ? -61.643 3.914 -24.423 1.00 39.28 ? 50 HIS A NE2 1 ATOM 434 H H . HIS A 1 38 ? -57.673 4.417 -23.058 1.00 38.39 ? 50 HIS A H 1 ATOM 435 H HA . HIS A 1 38 ? -56.960 1.867 -22.911 1.00 40.88 ? 50 HIS A HA 1 ATOM 436 H HB2 . HIS A 1 38 ? -58.960 0.893 -23.473 1.00 43.34 ? 50 HIS A HB2 1 ATOM 437 H HB3 . HIS A 1 38 ? -59.149 1.679 -22.109 1.00 43.34 ? 50 HIS A HB3 1 ATOM 438 H HD2 . HIS A 1 38 ? -59.794 4.508 -23.712 1.00 47.22 ? 50 HIS A HD2 1 ATOM 439 H HE1 . HIS A 1 38 ? -63.018 2.511 -24.846 1.00 47.25 ? 50 HIS A HE1 1 ATOM 440 H HE2 . HIS A 1 38 ? -62.022 4.646 -24.667 1.00 47.14 ? 50 HIS A HE2 1 ATOM 441 N N . ILE A 1 39 ? -56.676 1.701 -25.348 1.00 37.21 ? 51 ILE A N 1 ATOM 442 C CA . ILE A 1 39 ? -56.416 1.777 -26.782 1.00 38.32 ? 51 ILE A CA 1 ATOM 443 C C . ILE A 1 39 ? -57.719 1.570 -27.534 1.00 41.33 ? 51 ILE A C 1 ATOM 444 O O . ILE A 1 39 ? -58.421 0.568 -27.343 1.00 41.55 ? 51 ILE A O 1 ATOM 445 C CB . ILE A 1 39 ? -55.341 0.762 -27.202 1.00 39.68 ? 51 ILE A CB 1 ATOM 446 C CG1 . ILE A 1 39 ? -54.044 0.956 -26.404 1.00 40.94 ? 51 ILE A CG1 1 ATOM 447 C CG2 . ILE A 1 39 ? -55.030 0.906 -28.694 1.00 39.64 ? 51 ILE A CG2 1 ATOM 448 C CD1 . ILE A 1 39 ? -52.960 -0.173 -26.711 1.00 43.31 ? 51 ILE A CD1 1 ATOM 449 H H . ILE A 1 39 ? -56.380 0.991 -24.965 1.00 44.65 ? 51 ILE A H 1 ATOM 450 H HA . ILE A 1 39 ? -56.086 2.664 -26.995 1.00 45.98 ? 51 ILE A HA 1 ATOM 451 H HB . ILE A 1 39 ? -55.677 -0.133 -27.038 1.00 47.62 ? 51 ILE A HB 1 ATOM 452 H HG12 . ILE A 1 39 ? -53.656 1.815 -26.635 1.00 49.13 ? 51 ILE A HG12 1 ATOM 453 H HG13 . ILE A 1 39 ? -54.248 0.927 -25.457 1.00 49.13 ? 51 ILE A HG13 1 ATOM 454 H HG21 . ILE A 1 39 ? -54.351 0.258 -28.938 1.00 47.57 ? 51 ILE A HG21 1 ATOM 455 H HG22 . ILE A 1 39 ? -55.841 0.744 -29.202 1.00 47.57 ? 51 ILE A HG22 1 ATOM 456 H HG23 . ILE A 1 39 ? -54.707 1.805 -28.863 1.00 47.57 ? 51 ILE A HG23 1 ATOM 457 H HD11 . ILE A 1 39 ? -52.166 0.000 -26.182 1.00 51.97 ? 51 ILE A HD11 1 ATOM 458 H HD12 . ILE A 1 39 ? -53.332 -1.038 -26.478 1.00 51.97 ? 51 ILE A HD12 1 ATOM 459 H HD13 . ILE A 1 39 ? -52.740 -0.150 -27.655 1.00 51.97 ? 51 ILE A HD13 1 ATOM 460 N N . THR A 1 40 ? -58.044 2.518 -28.399 1.00 42.62 ? 52 THR A N 1 ATOM 461 C CA . THR A 1 40 ? -59.263 2.469 -29.171 1.00 45.09 ? 52 THR A CA 1 ATOM 462 C C . THR A 1 40 ? -58.984 3.092 -30.532 1.00 45.58 ? 52 THR A C 1 ATOM 463 O O . THR A 1 40 ? -58.043 3.879 -30.697 1.00 44.29 ? 52 THR A O 1 ATOM 464 C CB . THR A 1 40 ? -60.399 3.177 -28.424 1.00 47.35 ? 52 THR A CB 1 ATOM 465 O OG1 . THR A 1 40 ? -61.622 3.055 -29.169 1.00 50.87 ? 52 THR A OG1 1 ATOM 466 C CG2 . THR A 1 40 ? -60.066 4.616 -28.231 1.00 47.40 ? 52 THR A CG2 1 ATOM 467 H H . THR A 1 40 ? -57.562 3.213 -28.556 1.00 51.15 ? 52 THR A H 1 ATOM 468 H HA . THR A 1 40 ? -59.519 1.543 -29.307 1.00 54.11 ? 52 THR A HA 1 ATOM 469 H HB . THR A 1 40 ? -60.513 2.770 -27.551 1.00 56.82 ? 52 THR A HB 1 ATOM 470 H HG1 . THR A 1 40 ? -62.246 3.442 -28.761 1.00 61.05 ? 52 THR A HG1 1 ATOM 471 H HG21 . THR A 1 40 ? -60.786 5.062 -27.759 1.00 56.88 ? 52 THR A HG21 1 ATOM 472 H HG22 . THR A 1 40 ? -59.250 4.700 -27.714 1.00 56.88 ? 52 THR A HG22 1 ATOM 473 H HG23 . THR A 1 40 ? -59.940 5.045 -29.092 1.00 56.88 ? 52 THR A HG23 1 ATOM 474 N N . ASP A 1 41 ? -59.789 2.686 -31.521 1.00 48.38 ? 53 ASP A N 1 ATOM 475 C CA . ASP A 1 41 ? -59.585 3.168 -32.877 1.00 51.35 ? 53 ASP A CA 1 ATOM 476 C C . ASP A 1 41 ? -59.779 4.677 -32.969 1.00 50.03 ? 53 ASP A C 1 ATOM 477 O O . ASP A 1 41 ? -58.988 5.373 -33.616 1.00 50.47 ? 53 ASP A O 1 ATOM 478 C CB . ASP A 1 41 ? -60.533 2.434 -33.826 1.00 55.51 ? 53 ASP A CB 1 ATOM 479 C CG . ASP A 1 41 ? -60.487 2.989 -35.221 1.00 60.01 ? 53 ASP A CG 1 ATOM 480 O OD1 . ASP A 1 41 ? -59.489 2.707 -35.927 1.00 61.62 ? 53 ASP A OD1 1 ATOM 481 O OD2 . ASP A 1 41 ? -61.444 3.706 -35.612 1.00 61.56 ? 53 ASP A OD2 1 ATOM 482 H H . ASP A 1 41 ? -60.448 2.142 -31.428 1.00 58.06 ? 53 ASP A H 1 ATOM 483 H HA . ASP A 1 41 ? -58.676 2.966 -33.149 1.00 61.61 ? 53 ASP A HA 1 ATOM 484 H HB2 . ASP A 1 41 ? -60.281 1.498 -33.865 1.00 66.62 ? 53 ASP A HB2 1 ATOM 485 H HB3 . ASP A 1 41 ? -61.442 2.521 -33.496 1.00 66.62 ? 53 ASP A HB3 1 ATOM 486 N N . ASP A 1 42 ? -60.814 5.206 -32.320 1.00 47.92 ? 54 ASP A N 1 ATOM 487 C CA . ASP A 1 42 ? -61.046 6.646 -32.301 1.00 46.27 ? 54 ASP A CA 1 ATOM 488 C C . ASP A 1 42 ? -60.139 7.256 -31.242 1.00 44.17 ? 54 ASP A C 1 ATOM 489 O O . ASP A 1 42 ? -60.374 7.095 -30.032 1.00 43.23 ? 54 ASP A O 1 ATOM 490 C CB . ASP A 1 42 ? -62.512 6.946 -32.021 1.00 46.79 ? 54 ASP A CB 1 ATOM 491 C CG . ASP A 1 42 ? -62.806 8.429 -31.973 1.00 47.16 ? 54 ASP A CG 1 ATOM 492 O OD1 . ASP A 1 42 ? -61.857 9.243 -32.005 1.00 46.33 ? 54 ASP A OD1 1 ATOM 493 O OD2 . ASP A 1 42 ? -63.998 8.781 -31.884 1.00 48.08 ? 54 ASP A OD2 1 ATOM 494 H H . ASP A 1 42 ? -61.398 4.750 -31.882 1.00 57.51 ? 54 ASP A H 1 ATOM 495 H HA . ASP A 1 42 ? -60.812 7.024 -33.164 1.00 55.52 ? 54 ASP A HA 1 ATOM 496 H HB2 . ASP A 1 42 ? -63.055 6.555 -32.724 1.00 56.15 ? 54 ASP A HB2 1 ATOM 497 H HB3 . ASP A 1 42 ? -62.755 6.564 -31.163 1.00 56.15 ? 54 ASP A HB3 1 ATOM 498 N N . ARG A 1 43 ? -59.092 7.950 -31.692 1.00 42.77 ? 55 ARG A N 1 ATOM 499 C CA . ARG A 1 43 ? -58.062 8.396 -30.761 1.00 42.29 ? 55 ARG A CA 1 ATOM 500 C C . ARG A 1 43 ? -58.508 9.571 -29.909 1.00 39.26 ? 55 ARG A C 1 ATOM 501 O O . ARG A 1 43 ? -57.790 9.936 -28.982 1.00 37.11 ? 55 ARG A O 1 ATOM 502 C CB . ARG A 1 43 ? -56.743 8.665 -31.486 1.00 44.49 ? 55 ARG A CB 1 ATOM 503 C CG . ARG A 1 43 ? -56.136 7.375 -32.024 1.00 47.35 ? 55 ARG A CG 1 ATOM 504 C CD . ARG A 1 43 ? -54.792 7.585 -32.665 1.00 50.41 ? 55 ARG A CD 1 ATOM 505 N NE . ARG A 1 43 ? -54.100 6.309 -32.863 1.00 53.65 ? 55 ARG A NE 1 ATOM 506 C CZ . ARG A 1 43 ? -52.923 6.170 -33.481 1.00 55.70 ? 55 ARG A CZ 1 ATOM 507 N NH1 . ARG A 1 43 ? -52.283 7.234 -33.992 1.00 56.48 ? 55 ARG A NH1 1 ATOM 508 N NH2 . ARG A 1 43 ? -52.385 4.962 -33.586 1.00 55.60 ? 55 ARG A NH2 1 ATOM 509 H H . ARG A 1 43 ? -58.958 8.171 -32.512 1.00 51.33 ? 55 ARG A H 1 ATOM 510 H HA . ARG A 1 43 ? -57.892 7.664 -30.147 1.00 50.75 ? 55 ARG A HA 1 ATOM 511 H HB2 . ARG A 1 43 ? -56.903 9.262 -32.233 1.00 53.39 ? 55 ARG A HB2 1 ATOM 512 H HB3 . ARG A 1 43 ? -56.112 9.063 -30.866 1.00 53.39 ? 55 ARG A HB3 1 ATOM 513 H HG2 . ARG A 1 43 ? -56.024 6.749 -31.292 1.00 56.82 ? 55 ARG A HG2 1 ATOM 514 H HG3 . ARG A 1 43 ? -56.732 7.001 -32.692 1.00 56.82 ? 55 ARG A HG3 1 ATOM 515 H HD2 . ARG A 1 43 ? -54.911 8.006 -33.531 1.00 60.49 ? 55 ARG A HD2 1 ATOM 516 H HD3 . ARG A 1 43 ? -54.246 8.144 -32.091 1.00 60.49 ? 55 ARG A HD3 1 ATOM 517 H HE . ARG A 1 43 ? -54.478 5.599 -32.560 1.00 64.38 ? 55 ARG A HE 1 ATOM 518 H HH11 . ARG A 1 43 ? -52.628 8.018 -33.921 1.00 67.78 ? 55 ARG A HH11 1 ATOM 519 H HH12 . ARG A 1 43 ? -51.527 7.131 -34.389 1.00 67.78 ? 55 ARG A HH12 1 ATOM 520 H HH21 . ARG A 1 43 ? -52.796 4.279 -33.262 1.00 66.72 ? 55 ARG A HH21 1 ATOM 521 H HH22 . ARG A 1 43 ? -51.632 4.860 -33.988 1.00 66.72 ? 55 ARG A HH22 1 ATOM 522 N N . THR A 1 44 ? -59.681 10.145 -30.171 1.00 38.92 ? 56 THR A N 1 ATOM 523 C CA . THR A 1 44 ? -60.258 11.103 -29.234 1.00 38.61 ? 56 THR A CA 1 ATOM 524 C C . THR A 1 44 ? -60.940 10.426 -28.056 1.00 37.69 ? 56 THR A C 1 ATOM 525 O O . THR A 1 44 ? -61.419 11.128 -27.160 1.00 37.52 ? 56 THR A O 1 ATOM 526 C CB . THR A 1 44 ? -61.284 12.027 -29.904 1.00 39.73 ? 56 THR A CB 1 ATOM 527 O OG1 . THR A 1 44 ? -62.483 11.287 -30.161 1.00 41.93 ? 56 THR A OG1 1 ATOM 528 C CG2 . THR A 1 44 ? -60.738 12.630 -31.212 1.00 39.51 ? 56 THR A CG2 1 ATOM 529 H H . THR A 1 44 ? -60.156 9.999 -30.873 1.00 46.70 ? 56 THR A H 1 ATOM 530 H HA . THR A 1 44 ? -59.545 11.660 -28.882 1.00 46.33 ? 56 THR A HA 1 ATOM 531 H HB . THR A 1 44 ? -61.489 12.759 -29.301 1.00 47.68 ? 56 THR A HB 1 ATOM 532 H HG1 . THR A 1 44 ? -62.318 10.639 -30.669 1.00 50.31 ? 56 THR A HG1 1 ATOM 533 H HG21 . THR A 1 44 ? -61.406 13.208 -31.614 1.00 47.41 ? 56 THR A HG21 1 ATOM 534 H HG22 . THR A 1 44 ? -59.940 13.150 -31.030 1.00 47.41 ? 56 THR A HG22 1 ATOM 535 H HG23 . THR A 1 44 ? -60.518 11.922 -31.837 1.00 47.41 ? 56 THR A HG23 1 ATOM 536 N N . LYS A 1 45 ? -60.998 9.094 -28.041 1.00 37.75 ? 57 LYS A N 1 ATOM 537 C CA . LYS A 1 45 ? -61.594 8.327 -26.953 1.00 37.50 ? 57 LYS A CA 1 ATOM 538 C C . LYS A 1 45 ? -60.564 7.497 -26.188 1.00 35.88 ? 57 LYS A C 1 ATOM 539 O O . LYS A 1 45 ? -60.935 6.716 -25.297 1.00 35.60 ? 57 LYS A O 1 ATOM 540 C CB . LYS A 1 45 ? -62.691 7.411 -27.501 1.00 38.67 ? 57 LYS A CB 1 ATOM 541 C CG . LYS A 1 45 ? -63.704 8.108 -28.406 1.00 42.32 ? 57 LYS A CG 1 ATOM 542 C CD . LYS A 1 45 ? -64.458 9.180 -27.646 1.00 45.89 ? 57 LYS A CD 1 ATOM 543 C CE . LYS A 1 45 ? -65.575 9.814 -28.474 1.00 49.01 ? 57 LYS A CE 1 ATOM 544 N NZ . LYS A 1 45 ? -66.855 9.027 -28.342 1.00 51.17 ? 57 LYS A NZ 1 ATOM 545 H H . LYS A 1 45 ? -60.688 8.600 -28.673 1.00 45.31 ? 57 LYS A H 1 ATOM 546 H HA . LYS A 1 45 ? -62.006 8.942 -26.326 1.00 45.00 ? 57 LYS A HA 1 ATOM 547 H HB2 . LYS A 1 45 ? -62.275 6.702 -28.016 1.00 46.40 ? 57 LYS A HB2 1 ATOM 548 H HB3 . LYS A 1 45 ? -63.178 7.029 -26.754 1.00 46.40 ? 57 LYS A HB3 1 ATOM 549 H HG2 . LYS A 1 45 ? -63.239 8.528 -29.147 1.00 50.79 ? 57 LYS A HG2 1 ATOM 550 H HG3 . LYS A 1 45 ? -64.344 7.458 -28.734 1.00 50.79 ? 57 LYS A HG3 1 ATOM 551 H HD2 . LYS A 1 45 ? -64.857 8.785 -26.855 1.00 55.07 ? 57 LYS A HD2 1 ATOM 552 H HD3 . LYS A 1 45 ? -63.838 9.882 -27.391 1.00 55.07 ? 57 LYS A HD3 1 ATOM 553 H HE2 . LYS A 1 45 ? -65.736 10.717 -28.158 1.00 58.81 ? 57 LYS A HE2 1 ATOM 554 H HE3 . LYS A 1 45 ? -65.317 9.824 -29.409 1.00 58.81 ? 57 LYS A HE3 1 ATOM 555 H HZ1 . LYS A 1 45 ? -67.496 9.407 -28.828 1.00 61.40 ? 57 LYS A HZ1 1 ATOM 556 H HZ2 . LYS A 1 45 ? -66.730 8.194 -28.627 1.00 61.40 ? 57 LYS A HZ2 1 ATOM 557 H HZ3 . LYS A 1 45 ? -67.112 9.006 -27.490 1.00 61.40 ? 57 LYS A HZ3 1 ATOM 558 N N . VAL A 1 46 ? -59.276 7.649 -26.499 1.00 33.78 ? 58 VAL A N 1 ATOM 559 C CA . VAL A 1 46 ? -58.250 6.895 -25.779 1.00 32.75 ? 58 VAL A CA 1 ATOM 560 C C . VAL A 1 46 ? -58.201 7.310 -24.309 1.00 32.78 ? 58 VAL A C 1 ATOM 561 O O . VAL A 1 46 ? -58.052 6.465 -23.417 1.00 32.59 ? 58 VAL A O 1 ATOM 562 C CB . VAL A 1 46 ? -56.889 7.048 -26.482 1.00 31.80 ? 58 VAL A CB 1 ATOM 563 C CG1 . VAL A 1 46 ? -55.736 6.581 -25.585 1.00 31.60 ? 58 VAL A CG1 1 ATOM 564 C CG2 . VAL A 1 46 ? -56.888 6.258 -27.758 1.00 32.40 ? 58 VAL A CG2 1 ATOM 565 H H . VAL A 1 46 ? -58.975 8.172 -27.111 1.00 40.53 ? 58 VAL A H 1 ATOM 566 H HA . VAL A 1 46 ? -58.485 5.955 -25.807 1.00 39.30 ? 58 VAL A HA 1 ATOM 567 H HB . VAL A 1 46 ? -56.745 7.982 -26.702 1.00 38.16 ? 58 VAL A HB 1 ATOM 568 H HG11 . VAL A 1 46 ? -54.899 6.693 -26.063 1.00 37.92 ? 58 VAL A HG11 1 ATOM 569 H HG12 . VAL A 1 46 ? -55.730 7.115 -24.775 1.00 37.92 ? 58 VAL A HG12 1 ATOM 570 H HG13 . VAL A 1 46 ? -55.868 5.645 -25.364 1.00 37.92 ? 58 VAL A HG13 1 ATOM 571 H HG21 . VAL A 1 46 ? -56.027 6.362 -28.192 1.00 38.88 ? 58 VAL A HG21 1 ATOM 572 H HG22 . VAL A 1 46 ? -57.044 5.324 -27.550 1.00 38.88 ? 58 VAL A HG22 1 ATOM 573 H HG23 . VAL A 1 46 ? -57.592 6.591 -28.336 1.00 38.88 ? 58 VAL A HG23 1 ATOM 574 N N . CYS A 1 47 ? -58.312 8.612 -24.028 1.00 32.25 ? 59 CYS A N 1 ATOM 575 C CA . CYS A 1 47 ? -58.138 9.104 -22.667 1.00 31.92 ? 59 CYS A CA 1 ATOM 576 C C . CYS A 1 47 ? -58.897 10.409 -22.484 1.00 30.89 ? 59 CYS A C 1 ATOM 577 O O . CYS A 1 47 ? -58.782 11.338 -23.295 1.00 31.11 ? 59 CYS A O 1 ATOM 578 C CB . CYS A 1 47 ? -56.653 9.314 -22.307 1.00 31.55 ? 59 CYS A CB 1 ATOM 579 S SG . CYS A 1 47 ? -55.827 10.610 -23.273 1.00 32.45 ? 59 CYS A SG 1 ATOM 580 H H . CYS A 1 47 ? -58.486 9.224 -24.607 1.00 38.70 ? 59 CYS A H 1 ATOM 581 H HA . CYS A 1 47 ? -58.506 8.454 -22.048 1.00 38.31 ? 59 CYS A HA 1 ATOM 582 H HB2 . CYS A 1 47 ? -56.592 9.559 -21.371 1.00 37.86 ? 59 CYS A HB2 1 ATOM 583 H HB3 . CYS A 1 47 ? -56.176 8.483 -22.459 1.00 37.86 ? 59 CYS A HB3 1 ATOM 584 N N . ALA A 1 48 ? -59.637 10.499 -21.382 1.00 30.56 ? 60 ALA A N 1 ATOM 585 C CA . ALA A 1 48 ? -60.326 11.748 -21.081 1.00 30.26 ? 60 ALA A CA 1 ATOM 586 C C . ALA A 1 48 ? -59.348 12.893 -20.822 1.00 30.04 ? 60 ALA A C 1 ATOM 587 O O . ALA A 1 48 ? -59.686 14.058 -21.027 1.00 31.59 ? 60 ALA A O 1 ATOM 588 C CB . ALA A 1 48 ? -61.247 11.545 -19.886 1.00 30.11 ? 60 ALA A CB 1 ATOM 589 H H . ALA A 1 48 ? -59.753 9.871 -20.807 1.00 36.67 ? 60 ALA A H 1 ATOM 590 H HA . ALA A 1 48 ? -60.876 11.993 -21.842 1.00 36.31 ? 60 ALA A HA 1 ATOM 591 H HB1 . ALA A 1 48 ? -61.701 12.380 -19.693 1.00 36.14 ? 60 ALA A HB1 1 ATOM 592 H HB2 . ALA A 1 48 ? -61.896 10.857 -20.100 1.00 36.14 ? 60 ALA A HB2 1 ATOM 593 H HB3 . ALA A 1 48 ? -60.716 11.273 -19.121 1.00 36.14 ? 60 ALA A HB3 1 ATOM 594 N N . SER A 1 49 ? -58.130 12.578 -20.393 1.00 28.52 ? 61 SER A N 1 ATOM 595 C CA . SER A 1 49 ? -57.135 13.595 -20.120 1.00 28.27 ? 61 SER A CA 1 ATOM 596 C C . SER A 1 49 ? -56.619 14.280 -21.384 1.00 28.54 ? 61 SER A C 1 ATOM 597 O O . SER A 1 49 ? -55.939 15.302 -21.262 1.00 29.06 ? 61 SER A O 1 ATOM 598 C CB . SER A 1 49 ? -55.991 13.024 -19.268 1.00 27.90 ? 61 SER A CB 1 ATOM 599 O OG . SER A 1 49 ? -55.397 11.892 -19.879 1.00 28.18 ? 61 SER A OG 1 ATOM 600 H H . SER A 1 49 ? -57.858 11.775 -20.252 1.00 34.23 ? 61 SER A H 1 ATOM 601 H HA . SER A 1 49 ? -57.560 14.285 -19.587 1.00 33.93 ? 61 SER A HA 1 ATOM 602 H HB2 . SER A 1 49 ? -55.314 13.709 -19.153 1.00 33.48 ? 61 SER A HB2 1 ATOM 603 H HB3 . SER A 1 49 ? -56.345 12.763 -18.404 1.00 33.48 ? 61 SER A HB3 1 ATOM 604 H HG . SER A 1 49 ? -55.971 11.287 -19.983 1.00 33.82 ? 61 SER A HG 1 ATOM 605 N N . SER A 1 50 ? -56.940 13.787 -22.590 1.00 29.27 ? 62 SER A N 1 ATOM 606 C CA . SER A 1 50 ? -56.628 14.559 -23.797 1.00 30.48 ? 62 SER A CA 1 ATOM 607 C C . SER A 1 50 ? -57.705 15.574 -24.158 1.00 31.50 ? 62 SER A C 1 ATOM 608 O O . SER A 1 50 ? -57.507 16.355 -25.094 1.00 31.10 ? 62 SER A O 1 ATOM 609 C CB . SER A 1 50 ? -56.373 13.658 -24.993 1.00 31.72 ? 62 SER A CB 1 ATOM 610 O OG . SER A 1 50 ? -57.579 13.183 -25.561 1.00 32.82 ? 62 SER A OG 1 ATOM 611 H H . SER A 1 50 ? -57.328 13.032 -22.731 1.00 35.13 ? 62 SER A H 1 ATOM 612 H HA . SER A 1 50 ? -55.810 15.056 -23.633 1.00 36.58 ? 62 SER A HA 1 ATOM 613 H HB2 . SER A 1 50 ? -55.887 14.160 -25.665 1.00 38.07 ? 62 SER A HB2 1 ATOM 614 H HB3 . SER A 1 50 ? -55.843 12.898 -24.704 1.00 38.07 ? 62 SER A HB3 1 ATOM 615 H HG . SER A 1 50 ? -57.411 12.688 -26.219 1.00 39.38 ? 62 SER A HG 1 ATOM 616 N N . LYS A 1 51 ? -58.815 15.594 -23.421 1.00 32.55 ? 63 LYS A N 1 ATOM 617 C CA . LYS A 1 51 ? -59.872 16.599 -23.585 1.00 34.07 ? 63 LYS A CA 1 ATOM 618 C C . LYS A 1 51 ? -60.360 16.697 -25.030 1.00 35.64 ? 63 LYS A C 1 ATOM 619 O O . LYS A 1 51 ? -60.695 17.779 -25.525 1.00 36.12 ? 63 LYS A O 1 ATOM 620 C CB . LYS A 1 51 ? -59.429 17.962 -23.059 1.00 34.65 ? 63 LYS A CB 1 ATOM 621 C CG . LYS A 1 51 ? -59.557 18.171 -21.501 1.00 37.42 ? 63 LYS A CG 1 ATOM 622 C CD . LYS A 1 51 ? -58.397 17.659 -20.743 1.00 38.27 ? 63 LYS A CD 1 ATOM 623 C CE . LYS A 1 51 ? -57.147 18.514 -20.933 1.00 37.14 ? 63 LYS A CE 1 ATOM 624 N NZ . LYS A 1 51 ? -56.078 17.883 -20.108 1.00 36.50 ? 63 LYS A NZ 1 ATOM 625 H H . LYS A 1 51 ? -58.984 15.020 -22.803 1.00 39.06 ? 63 LYS A H 1 ATOM 626 H HA . LYS A 1 51 ? -60.632 16.322 -23.048 1.00 40.88 ? 63 LYS A HA 1 ATOM 627 H HB2 . LYS A 1 51 ? -58.497 18.093 -23.294 1.00 41.58 ? 63 LYS A HB2 1 ATOM 628 H HB3 . LYS A 1 51 ? -59.969 18.645 -23.488 1.00 41.58 ? 63 LYS A HB3 1 ATOM 629 H HG2 . LYS A 1 51 ? -59.637 19.120 -21.317 1.00 44.90 ? 63 LYS A HG2 1 ATOM 630 H HG3 . LYS A 1 51 ? -60.347 17.706 -21.186 1.00 44.90 ? 63 LYS A HG3 1 ATOM 631 H HD2 . LYS A 1 51 ? -58.615 17.651 -19.798 1.00 45.92 ? 63 LYS A HD2 1 ATOM 632 H HD3 . LYS A 1 51 ? -58.194 16.759 -21.045 1.00 45.92 ? 63 LYS A HD3 1 ATOM 633 H HE2 . LYS A 1 51 ? -56.876 18.510 -21.865 1.00 44.57 ? 63 LYS A HE2 1 ATOM 634 H HE3 . LYS A 1 51 ? -57.305 19.416 -20.616 1.00 44.57 ? 63 LYS A HE3 1 ATOM 635 H HZ1 . LYS A 1 51 ? -55.322 18.347 -20.184 1.00 43.81 ? 63 LYS A HZ1 1 ATOM 636 H HZ2 . LYS A 1 51 ? -56.324 17.868 -19.253 1.00 43.81 ? 63 LYS A HZ2 1 ATOM 637 H HZ3 . LYS A 1 51 ? -55.935 17.049 -20.383 1.00 43.81 ? 63 LYS A HZ3 1 ATOM 638 N N . GLY A 1 52 ? -60.408 15.557 -25.721 1.00 36.11 ? 64 GLY A N 1 ATOM 639 C CA . GLY A 1 52 ? -60.953 15.486 -27.059 1.00 36.81 ? 64 GLY A CA 1 ATOM 640 C C . GLY A 1 52 ? -59.939 15.602 -28.175 1.00 37.35 ? 64 GLY A C 1 ATOM 641 O O . GLY A 1 52 ? -60.317 15.477 -29.342 1.00 38.72 ? 64 GLY A O 1 ATOM 642 H H . GLY A 1 52 ? -60.124 14.802 -25.423 1.00 43.34 ? 64 GLY A H 1 ATOM 643 H HA2 . GLY A 1 52 ? -61.416 14.640 -27.165 1.00 44.17 ? 64 GLY A HA2 1 ATOM 644 H HA3 . GLY A 1 52 ? -61.602 16.198 -27.172 1.00 44.17 ? 64 GLY A HA3 1 ATOM 645 N N . ALA A 1 53 ? -58.673 15.879 -27.872 1.00 36.07 ? 65 ALA A N 1 ATOM 646 C CA . ALA A 1 53 ? -57.657 15.788 -28.907 1.00 36.21 ? 65 ALA A CA 1 ATOM 647 C C . ALA A 1 53 ? -57.409 14.317 -29.221 1.00 36.02 ? 65 ALA A C 1 ATOM 648 O O . ALA A 1 53 ? -57.527 13.454 -28.348 1.00 36.26 ? 65 ALA A O 1 ATOM 649 C CB . ALA A 1 53 ? -56.364 16.442 -28.426 1.00 36.24 ? 65 ALA A CB 1 ATOM 650 H H . ALA A 1 53 ? -58.385 16.115 -27.096 1.00 43.28 ? 65 ALA A H 1 ATOM 651 H HA . ALA A 1 53 ? -57.960 16.238 -29.712 1.00 43.46 ? 65 ALA A HA 1 ATOM 652 H HB1 . ALA A 1 53 ? -55.697 16.373 -29.126 1.00 43.49 ? 65 ALA A HB1 1 ATOM 653 H HB2 . ALA A 1 53 ? -56.539 17.374 -28.224 1.00 43.49 ? 65 ALA A HB2 1 ATOM 654 H HB3 . ALA A 1 53 ? -56.056 15.982 -27.629 1.00 43.49 ? 65 ALA A HB3 1 ATOM 655 N N . ASN A 1 54 ? -57.053 14.033 -30.473 1.00 36.24 ? 66 ASN A N 1 ATOM 656 C CA . ASN A 1 54 ? -56.548 12.713 -30.809 1.00 36.16 ? 66 ASN A CA 1 ATOM 657 C C . ASN A 1 54 ? -55.245 12.488 -30.056 1.00 36.11 ? 66 ASN A C 1 ATOM 658 O O . ASN A 1 54 ? -54.325 13.310 -30.143 1.00 36.02 ? 66 ASN A O 1 ATOM 659 C CB . ASN A 1 54 ? -56.241 12.649 -32.303 1.00 36.53 ? 66 ASN A CB 1 ATOM 660 C CG . ASN A 1 54 ? -57.426 12.245 -33.154 1.00 37.94 ? 66 ASN A CG 1 ATOM 661 O OD1 . ASN A 1 54 ? -58.249 11.381 -32.789 1.00 39.10 ? 66 ASN A OD1 1 ATOM 662 N ND2 . ASN A 1 54 ? -57.511 12.880 -34.334 1.00 37.20 ? 66 ASN A ND2 1 ATOM 663 H H . ASN A 1 54 ? -57.095 14.582 -31.134 1.00 43.49 ? 66 ASN A H 1 ATOM 664 H HA . ASN A 1 54 ? -57.190 12.025 -30.573 1.00 43.39 ? 66 ASN A HA 1 ATOM 665 H HB2 . ASN A 1 54 ? -55.948 13.525 -32.600 1.00 43.84 ? 66 ASN A HB2 1 ATOM 666 H HB3 . ASN A 1 54 ? -55.536 11.999 -32.450 1.00 43.84 ? 66 ASN A HB3 1 ATOM 667 H HD21 . ASN A 1 54 ? -56.891 13.441 -34.538 1.00 44.64 ? 66 ASN A HD21 1 ATOM 668 N N . ALA A 1 55 ? -55.168 11.393 -29.294 1.00 35.11 ? 67 ALA A N 1 ATOM 669 C CA . ALA A 1 55 ? -53.876 10.927 -28.824 1.00 34.68 ? 67 ALA A CA 1 ATOM 670 C C . ALA A 1 55 ? -52.937 10.814 -30.017 1.00 35.29 ? 67 ALA A C 1 ATOM 671 O O . ALA A 1 55 ? -53.356 10.451 -31.115 1.00 36.01 ? 67 ALA A O 1 ATOM 672 C CB . ALA A 1 55 ? -54.016 9.582 -28.099 1.00 34.85 ? 67 ALA A CB 1 ATOM 673 H H . ALA A 1 55 ? -55.838 10.916 -29.044 1.00 42.13 ? 67 ALA A H 1 ATOM 674 H HA . ALA A 1 55 ? -53.506 11.573 -28.203 1.00 41.62 ? 67 ALA A HA 1 ATOM 675 H HB1 . ALA A 1 55 ? -53.140 9.294 -27.796 1.00 41.82 ? 67 ALA A HB1 1 ATOM 676 H HB2 . ALA A 1 55 ? -54.609 9.694 -27.339 1.00 41.82 ? 67 ALA A HB2 1 ATOM 677 H HB3 . ALA A 1 55 ? -54.385 8.929 -28.714 1.00 41.82 ? 67 ALA A HB3 1 ATOM 678 N N . SER A 1 56 ? -51.672 11.172 -29.791 1.00 37.10 ? 68 SER A N 1 ATOM 679 C CA A SER A 1 56 ? -50.717 11.322 -30.884 0.46 38.22 ? 68 SER A CA 1 ATOM 680 C CA B SER A 1 56 ? -50.716 11.323 -30.882 0.54 38.24 ? 68 SER A CA 1 ATOM 681 C C . SER A 1 56 ? -50.283 9.974 -31.442 1.00 38.73 ? 68 SER A C 1 ATOM 682 O O . SER A 1 56 ? -50.332 9.751 -32.651 1.00 40.33 ? 68 SER A O 1 ATOM 683 C CB A SER A 1 56 ? -49.499 12.109 -30.399 0.46 39.00 ? 68 SER A CB 1 ATOM 684 C CB B SER A 1 56 ? -49.506 12.119 -30.387 0.54 39.02 ? 68 SER A CB 1 ATOM 685 O OG A SER A 1 56 ? -48.656 12.428 -31.493 0.46 39.44 ? 68 SER A OG 1 ATOM 686 O OG B SER A 1 56 ? -49.838 13.490 -30.221 0.54 39.39 ? 68 SER A OG 1 ATOM 687 H H A SER A 1 56 ? -51.343 11.332 -29.012 0.46 44.53 ? 68 SER A H 1 ATOM 688 H H B SER A 1 56 ? -51.344 11.332 -29.012 0.54 44.53 ? 68 SER A H 1 ATOM 689 H HA . SER A 1 56 ? -51.133 11.825 -31.601 1.00 45.89 ? 68 SER A HA 1 ATOM 690 H HB2 A SER A 1 56 ? -49.797 12.929 -29.977 0.46 46.80 ? 68 SER A HB2 1 ATOM 691 H HB2 B SER A 1 56 ? -49.218 11.758 -29.534 0.54 46.83 ? 68 SER A HB2 1 ATOM 692 H HB3 A SER A 1 56 ? -49.003 11.568 -29.764 0.46 46.80 ? 68 SER A HB3 1 ATOM 693 H HB3 B SER A 1 56 ? -48.791 12.044 -31.037 0.54 46.83 ? 68 SER A HB3 1 ATOM 694 H HG A SER A 1 56 ? -47.988 12.860 -31.225 0.46 47.33 ? 68 SER A HG 1 ATOM 695 H HG B SER A 1 56 ? -49.168 13.917 -29.949 0.54 47.27 ? 68 SER A HG 1 ATOM 696 N N . ASN A 1 57 ? -49.829 9.072 -30.580 1.00 37.34 ? 69 ASN A N 1 ATOM 697 C CA . ASN A 1 57 ? -49.347 7.767 -31.001 1.00 38.28 ? 69 ASN A CA 1 ATOM 698 C C . ASN A 1 57 ? -49.489 6.832 -29.811 1.00 36.72 ? 69 ASN A C 1 ATOM 699 O O . ASN A 1 57 ? -48.487 6.394 -29.229 1.00 37.33 ? 69 ASN A O 1 ATOM 700 C CB . ASN A 1 57 ? -47.890 7.872 -31.410 1.00 41.71 ? 69 ASN A CB 1 ATOM 701 C CG . ASN A 1 57 ? -47.358 6.586 -31.958 1.00 45.84 ? 69 ASN A CG 1 ATOM 702 O OD1 . ASN A 1 57 ? -48.118 5.718 -32.388 1.00 47.94 ? 69 ASN A OD1 1 ATOM 703 N ND2 . ASN A 1 57 ? -46.038 6.441 -31.941 1.00 46.84 ? 69 ASN A ND2 1 ATOM 704 H H . ASN A 1 57 ? -49.791 9.196 -29.730 1.00 44.80 ? 69 ASN A H 1 ATOM 705 H HA . ASN A 1 57 ? -49.872 7.431 -31.744 1.00 45.94 ? 69 ASN A HA 1 ATOM 706 H HB2 . ASN A 1 57 ? -47.802 8.551 -32.097 1.00 50.05 ? 69 ASN A HB2 1 ATOM 707 H HB3 . ASN A 1 57 ? -47.359 8.112 -30.635 1.00 50.05 ? 69 ASN A HB3 1 ATOM 708 H HD21 . ASN A 1 57 ? -45.680 5.721 -32.244 1.00 56.21 ? 69 ASN A HD21 1 ATOM 709 H HD22 . ASN A 1 57 ? -45.541 7.069 -31.627 1.00 56.21 ? 69 ASN A HD22 1 ATOM 710 N N . PRO A 1 58 ? -50.713 6.514 -29.418 1.00 34.91 ? 70 PRO A N 1 ATOM 711 C CA . PRO A 1 58 ? -50.927 5.856 -28.131 1.00 34.06 ? 70 PRO A CA 1 ATOM 712 C C . PRO A 1 58 ? -50.556 4.397 -28.163 1.00 33.46 ? 70 PRO A C 1 ATOM 713 O O . PRO A 1 58 ? -50.662 3.717 -29.189 1.00 34.87 ? 70 PRO A O 1 ATOM 714 C CB . PRO A 1 58 ? -52.434 6.002 -27.912 1.00 34.02 ? 70 PRO A CB 1 ATOM 715 C CG . PRO A 1 58 ? -52.984 6.040 -29.288 1.00 32.97 ? 70 PRO A CG 1 ATOM 716 C CD . PRO A 1 58 ? -51.985 6.843 -30.076 1.00 32.97 ? 70 PRO A CD 1 ATOM 717 H HA . PRO A 1 58 ? -50.442 6.309 -27.423 1.00 40.87 ? 70 PRO A HA 1 ATOM 718 H HB2 . PRO A 1 58 ? -52.773 5.237 -27.422 1.00 40.83 ? 70 PRO A HB2 1 ATOM 719 H HB3 . PRO A 1 58 ? -52.621 6.829 -27.439 1.00 40.83 ? 70 PRO A HB3 1 ATOM 720 H HG2 . PRO A 1 58 ? -53.055 5.139 -29.638 1.00 39.56 ? 70 PRO A HG2 1 ATOM 721 H HG3 . PRO A 1 58 ? -53.850 6.478 -29.283 1.00 39.56 ? 70 PRO A HG3 1 ATOM 722 H HD2 . PRO A 1 58 ? -51.973 6.556 -31.002 1.00 39.56 ? 70 PRO A HD2 1 ATOM 723 H HD3 . PRO A 1 58 ? -52.172 7.792 -29.997 1.00 39.56 ? 70 PRO A HD3 1 ATOM 724 N N . GLY A 1 59 ? -50.146 3.925 -27.001 1.00 31.16 ? 71 GLY A N 1 ATOM 725 C CA . GLY A 1 59 ? -49.849 2.532 -26.806 1.00 28.97 ? 71 GLY A CA 1 ATOM 726 C C . GLY A 1 59 ? -50.246 2.125 -25.404 1.00 29.24 ? 71 GLY A C 1 ATOM 727 O O . GLY A 1 59 ? -50.847 2.904 -24.647 1.00 28.95 ? 71 GLY A O 1 ATOM 728 H H . GLY A 1 59 ? -50.030 4.407 -26.298 1.00 37.40 ? 71 GLY A H 1 ATOM 729 H HA2 . GLY A 1 59 ? -50.344 1.994 -27.444 1.00 34.77 ? 71 GLY A HA2 1 ATOM 730 H HA3 . GLY A 1 59 ? -48.900 2.373 -26.925 1.00 34.77 ? 71 GLY A HA3 1 ATOM 731 N N . PRO A 1 60 ? -49.870 0.904 -25.016 1.00 28.56 ? 72 PRO A N 1 ATOM 732 C CA . PRO A 1 60 ? -50.284 0.386 -23.697 1.00 28.94 ? 72 PRO A CA 1 ATOM 733 C C . PRO A 1 60 ? -49.728 1.155 -22.518 1.00 28.32 ? 72 PRO A C 1 ATOM 734 O O . PRO A 1 60 ? -50.327 1.101 -21.436 1.00 28.26 ? 72 PRO A O 1 ATOM 735 C CB . PRO A 1 60 ? -49.790 -1.069 -23.718 1.00 30.82 ? 72 PRO A CB 1 ATOM 736 C CG . PRO A 1 60 ? -48.800 -1.153 -24.870 1.00 31.26 ? 72 PRO A CG 1 ATOM 737 C CD . PRO A 1 60 ? -49.150 -0.090 -25.831 1.00 30.66 ? 72 PRO A CD 1 ATOM 738 H HA . PRO A 1 60 ? -51.252 0.384 -23.636 1.00 34.73 ? 72 PRO A HA 1 ATOM 739 H HB2 . PRO A 1 60 ? -49.353 -1.276 -22.877 1.00 36.98 ? 72 PRO A HB2 1 ATOM 740 H HB3 . PRO A 1 60 ? -50.541 -1.665 -23.869 1.00 36.98 ? 72 PRO A HB3 1 ATOM 741 H HG2 . PRO A 1 60 ? -47.902 -1.018 -24.531 1.00 37.51 ? 72 PRO A HG2 1 ATOM 742 H HG3 . PRO A 1 60 ? -48.873 -2.024 -25.292 1.00 37.51 ? 72 PRO A HG3 1 ATOM 743 H HD2 . PRO A 1 60 ? -48.346 0.302 -26.207 1.00 36.79 ? 72 PRO A HD2 1 ATOM 744 H HD3 . PRO A 1 60 ? -49.730 -0.441 -26.525 1.00 36.79 ? 72 PRO A HD3 1 ATOM 745 N N . PHE A 1 61 ? -48.606 1.854 -22.677 1.00 26.86 ? 73 PHE A N 1 ATOM 746 C CA . PHE A 1 61 ? -47.986 2.571 -21.577 1.00 25.50 ? 73 PHE A CA 1 ATOM 747 C C . PHE A 1 61 ? -48.326 4.048 -21.573 1.00 25.37 ? 73 PHE A C 1 ATOM 748 O O . PHE A 1 61 ? -47.873 4.780 -20.683 1.00 26.35 ? 73 PHE A O 1 ATOM 749 C CB . PHE A 1 61 ? -46.470 2.358 -21.615 1.00 26.76 ? 73 PHE A CB 1 ATOM 750 C CG . PHE A 1 61 ? -46.096 0.933 -21.386 1.00 25.87 ? 73 PHE A CG 1 ATOM 751 C CD1 . PHE A 1 61 ? -46.038 0.431 -20.101 1.00 27.45 ? 73 PHE A CD1 1 ATOM 752 C CD2 . PHE A 1 61 ? -45.897 0.074 -22.449 1.00 26.76 ? 73 PHE A CD2 1 ATOM 753 C CE1 . PHE A 1 61 ? -45.724 -0.898 -19.876 1.00 28.13 ? 73 PHE A CE1 1 ATOM 754 C CE2 . PHE A 1 61 ? -45.589 -1.257 -22.227 1.00 29.21 ? 73 PHE A CE2 1 ATOM 755 C CZ . PHE A 1 61 ? -45.521 -1.747 -20.932 1.00 29.34 ? 73 PHE A CZ 1 ATOM 756 H H . PHE A 1 61 ? -48.184 1.927 -23.423 1.00 32.23 ? 73 PHE A H 1 ATOM 757 H HA . PHE A 1 61 ? -48.312 2.196 -20.744 1.00 30.60 ? 73 PHE A HA 1 ATOM 758 H HB2 . PHE A 1 61 ? -46.134 2.623 -22.486 1.00 32.11 ? 73 PHE A HB2 1 ATOM 759 H HB3 . PHE A 1 61 ? -46.056 2.894 -20.921 1.00 32.11 ? 73 PHE A HB3 1 ATOM 760 H HD1 . PHE A 1 61 ? -46.184 0.997 -19.378 1.00 32.94 ? 73 PHE A HD1 1 ATOM 761 H HD2 . PHE A 1 61 ? -45.951 0.396 -23.320 1.00 32.11 ? 73 PHE A HD2 1 ATOM 762 H HE1 . PHE A 1 61 ? -45.676 -1.222 -19.005 1.00 33.76 ? 73 PHE A HE1 1 ATOM 763 H HE2 . PHE A 1 61 ? -45.443 -1.827 -22.948 1.00 35.05 ? 73 PHE A HE2 1 ATOM 764 H HZ . PHE A 1 61 ? -45.303 -2.638 -20.781 1.00 35.21 ? 73 PHE A HZ 1 ATOM 765 N N . GLY A 1 62 ? -49.110 4.508 -22.549 1.00 25.45 ? 74 GLY A N 1 ATOM 766 C CA . GLY A 1 62 ? -49.631 5.858 -22.534 1.00 25.69 ? 74 GLY A CA 1 ATOM 767 C C . GLY A 1 62 ? -49.425 6.585 -23.867 1.00 26.24 ? 74 GLY A C 1 ATOM 768 O O . GLY A 1 62 ? -49.148 5.982 -24.910 1.00 28.38 ? 74 GLY A O 1 ATOM 769 H H . GLY A 1 62 ? -49.352 4.047 -23.234 1.00 30.54 ? 74 GLY A H 1 ATOM 770 H HA2 . GLY A 1 62 ? -50.581 5.835 -22.341 1.00 30.83 ? 74 GLY A HA2 1 ATOM 771 H HA3 . GLY A 1 62 ? -49.188 6.366 -21.836 1.00 30.83 ? 74 GLY A HA3 1 ATOM 772 N N . ASP A 1 63 ? -49.564 7.903 -23.797 1.00 26.56 ? 75 ASP A N 1 ATOM 773 C CA . ASP A 1 63 ? -49.463 8.800 -24.933 1.00 26.28 ? 75 ASP A CA 1 ATOM 774 C C . ASP A 1 63 ? -49.054 10.155 -24.400 1.00 26.58 ? 75 ASP A C 1 ATOM 775 O O . ASP A 1 63 ? -49.446 10.521 -23.303 1.00 26.07 ? 75 ASP A O 1 ATOM 776 C CB . ASP A 1 63 ? -50.800 8.986 -25.657 1.00 27.24 ? 75 ASP A CB 1 ATOM 777 C CG . ASP A 1 63 ? -50.626 9.713 -26.967 1.00 29.04 ? 75 ASP A CG 1 ATOM 778 O OD1 . ASP A 1 63 ? -50.065 9.101 -27.895 1.00 30.65 ? 75 ASP A OD1 1 ATOM 779 O OD2 . ASP A 1 63 ? -50.972 10.906 -27.042 1.00 29.75 ? 75 ASP A OD2 1 ATOM 780 H H . ASP A 1 63 ? -49.726 8.318 -23.061 1.00 31.87 ? 75 ASP A H 1 ATOM 781 H HA . ASP A 1 63 ? -48.794 8.482 -25.560 1.00 31.53 ? 75 ASP A HA 1 ATOM 782 H HB2 . ASP A 1 63 ? -51.187 8.116 -25.842 1.00 32.69 ? 75 ASP A HB2 1 ATOM 783 H HB3 . ASP A 1 63 ? -51.397 9.506 -25.098 1.00 32.69 ? 75 ASP A HB3 1 ATOM 784 N N . VAL A 1 64 ? -48.327 10.934 -25.202 1.00 26.92 ? 76 VAL A N 1 ATOM 785 C CA . VAL A 1 64 ? -47.893 12.229 -24.689 1.00 26.70 ? 76 VAL A CA 1 ATOM 786 C C . VAL A 1 64 ? -49.063 13.168 -24.422 1.00 26.77 ? 76 VAL A C 1 ATOM 787 O O . VAL A 1 64 ? -48.880 14.162 -23.723 1.00 26.80 ? 76 VAL A O 1 ATOM 788 C CB . VAL A 1 64 ? -46.852 12.930 -25.578 1.00 28.24 ? 76 VAL A CB 1 ATOM 789 C CG1 . VAL A 1 64 ? -45.599 12.103 -25.640 1.00 27.80 ? 76 VAL A CG1 1 ATOM 790 C CG2 . VAL A 1 64 ? -47.428 13.199 -26.978 1.00 29.52 ? 76 VAL A CG2 1 ATOM 791 H H . VAL A 1 64 ? -48.083 10.748 -26.006 1.00 32.31 ? 76 VAL A H 1 ATOM 792 H HA . VAL A 1 64 ? -47.464 12.073 -23.833 1.00 32.03 ? 76 VAL A HA 1 ATOM 793 H HB . VAL A 1 64 ? -46.625 13.785 -25.181 1.00 33.89 ? 76 VAL A HB 1 ATOM 794 H HG11 . VAL A 1 64 ? -44.951 12.555 -26.203 1.00 33.36 ? 76 VAL A HG11 1 ATOM 795 H HG12 . VAL A 1 64 ? -45.244 12.001 -24.743 1.00 33.36 ? 76 VAL A HG12 1 ATOM 796 H HG13 . VAL A 1 64 ? -45.813 11.234 -26.013 1.00 33.36 ? 76 VAL A HG13 1 ATOM 797 H HG21 . VAL A 1 64 ? -46.754 13.640 -27.517 1.00 35.42 ? 76 VAL A HG21 1 ATOM 798 H HG22 . VAL A 1 64 ? -47.677 12.354 -27.384 1.00 35.42 ? 76 VAL A HG22 1 ATOM 799 H HG23 . VAL A 1 64 ? -48.209 13.768 -26.893 1.00 35.42 ? 76 VAL A HG23 1 ATOM 800 N N . LEU A 1 65 ? -50.238 12.934 -25.016 1.00 26.32 ? 77 LEU A N 1 ATOM 801 C CA . LEU A 1 65 ? -51.393 13.785 -24.765 1.00 26.91 ? 77 LEU A CA 1 ATOM 802 C C . LEU A 1 65 ? -52.309 13.257 -23.672 1.00 25.21 ? 77 LEU A C 1 ATOM 803 O O . LEU A 1 65 ? -53.369 13.847 -23.430 1.00 26.72 ? 77 LEU A O 1 ATOM 804 C CB . LEU A 1 65 ? -52.179 14.052 -26.059 1.00 29.96 ? 77 LEU A CB 1 ATOM 805 C CG . LEU A 1 65 ? -51.445 14.843 -27.145 1.00 30.54 ? 77 LEU A CG 1 ATOM 806 C CD1 . LEU A 1 65 ? -52.385 15.119 -28.300 1.00 30.60 ? 77 LEU A CD1 1 ATOM 807 C CD2 . LEU A 1 65 ? -50.834 16.161 -26.618 1.00 31.31 ? 77 LEU A CD2 1 ATOM 808 H H . LEU A 1 65 ? -50.387 12.289 -25.565 1.00 31.58 ? 77 LEU A H 1 ATOM 809 H HA . LEU A 1 65 ? -51.062 14.644 -24.459 1.00 32.29 ? 77 LEU A HA 1 ATOM 810 H HB2 . LEU A 1 65 ? -52.430 13.198 -26.444 1.00 35.95 ? 77 LEU A HB2 1 ATOM 811 H HB3 . LEU A 1 65 ? -52.980 14.549 -25.831 1.00 35.95 ? 77 LEU A HB3 1 ATOM 812 H HG . LEU A 1 65 ? -50.717 14.299 -27.484 1.00 36.65 ? 77 LEU A HG 1 ATOM 813 H HD11 . LEU A 1 65 ? -51.910 15.620 -28.981 1.00 36.71 ? 77 LEU A HD11 1 ATOM 814 H HD12 . LEU A 1 65 ? -52.692 14.274 -28.664 1.00 36.71 ? 77 LEU A HD12 1 ATOM 815 H HD13 . LEU A 1 65 ? -53.140 15.634 -27.976 1.00 36.71 ? 77 LEU A HD13 1 ATOM 816 H HD21 . LEU A 1 65 ? -50.385 16.614 -27.349 1.00 37.57 ? 77 LEU A HD21 1 ATOM 817 H HD22 . LEU A 1 65 ? -51.544 16.721 -26.268 1.00 37.57 ? 77 LEU A HD22 1 ATOM 818 H HD23 . LEU A 1 65 ? -50.197 15.955 -25.916 1.00 37.57 ? 77 LEU A HD23 1 ATOM 819 N N . CYS A 1 66 ? -51.909 12.195 -22.985 1.00 25.50 ? 78 CYS A N 1 ATOM 820 C CA . CYS A 1 66 ? -52.712 11.552 -21.964 1.00 25.54 ? 78 CYS A CA 1 ATOM 821 C C . CYS A 1 66 ? -51.924 11.463 -20.664 1.00 24.61 ? 78 CYS A C 1 ATOM 822 O O . CYS A 1 66 ? -50.685 11.462 -20.654 1.00 25.96 ? 78 CYS A O 1 ATOM 823 C CB . CYS A 1 66 ? -53.048 10.104 -22.356 1.00 27.41 ? 78 CYS A CB 1 ATOM 824 S SG . CYS A 1 66 ? -54.026 9.865 -23.840 1.00 30.69 ? 78 CYS A SG 1 ATOM 825 H H . CYS A 1 66 ? -51.145 11.818 -23.100 1.00 30.60 ? 78 CYS A H 1 ATOM 826 H HA . CYS A 1 66 ? -53.532 12.047 -21.813 1.00 30.65 ? 78 CYS A HA 1 ATOM 827 H HB2 . CYS A 1 66 ? -52.214 9.625 -22.484 1.00 32.90 ? 78 CYS A HB2 1 ATOM 828 H HB3 . CYS A 1 66 ? -53.539 9.699 -21.624 1.00 32.90 ? 78 CYS A HB3 1 ATOM 829 N N . ASP A 1 67 ? -52.667 11.370 -19.562 1.00 23.85 ? 79 ASP A N 1 ATOM 830 C CA . ASP A 1 67 ? -52.117 10.959 -18.285 1.00 24.16 ? 79 ASP A CA 1 ATOM 831 C C . ASP A 1 67 ? -51.897 9.447 -18.255 1.00 25.28 ? 79 ASP A C 1 ATOM 832 O O . ASP A 1 67 ? -52.117 8.745 -19.238 1.00 25.81 ? 79 ASP A O 1 ATOM 833 C CB . ASP A 1 67 ? -52.994 11.479 -17.169 1.00 24.65 ? 79 ASP A CB 1 ATOM 834 C CG . ASP A 1 67 ? -52.562 12.853 -16.727 1.00 26.46 ? 79 ASP A CG 1 ATOM 835 O OD1 . ASP A 1 67 ? -51.342 13.089 -16.629 1.00 27.16 ? 79 ASP A OD1 1 ATOM 836 O OD2 . ASP A 1 67 ? -53.428 13.715 -16.540 1.00 28.46 ? 79 ASP A OD2 1 ATOM 837 H H . ASP A 1 67 ? -53.509 11.544 -19.535 1.00 28.61 ? 79 ASP A H 1 ATOM 838 H HA . ASP A 1 67 ? -51.248 11.376 -18.182 1.00 28.99 ? 79 ASP A HA 1 ATOM 839 H HB2 . ASP A 1 67 ? -53.911 11.534 -17.480 1.00 29.57 ? 79 ASP A HB2 1 ATOM 840 H HB3 . ASP A 1 67 ? -52.932 10.881 -16.408 1.00 29.57 ? 79 ASP A HB3 1 ATOM 841 N N . SER A 1 68 ? -51.462 8.942 -17.112 1.00 24.98 ? 80 SER A N 1 ATOM 842 C CA . SER A 1 68 ? -50.835 7.640 -17.020 1.00 24.85 ? 80 SER A CA 1 ATOM 843 C C . SER A 1 68 ? -51.881 6.547 -17.046 1.00 23.97 ? 80 SER A C 1 ATOM 844 O O . SER A 1 68 ? -52.779 6.543 -16.204 1.00 25.30 ? 80 SER A O 1 ATOM 845 C CB . SER A 1 68 ? -50.100 7.510 -15.674 1.00 23.49 ? 80 SER A CB 1 ATOM 846 O OG . SER A 1 68 ? -49.012 8.418 -15.619 1.00 24.72 ? 80 SER A OG 1 ATOM 847 H H . SER A 1 68 ? -51.522 9.349 -16.356 1.00 29.98 ? 80 SER A H 1 ATOM 848 H HA . SER A 1 68 ? -50.208 7.509 -17.748 1.00 29.82 ? 80 SER A HA 1 ATOM 849 H HB2 . SER A 1 68 ? -50.718 7.711 -14.954 1.00 28.19 ? 80 SER A HB2 1 ATOM 850 H HB3 . SER A 1 68 ? -49.764 6.605 -15.582 1.00 28.19 ? 80 SER A HB3 1 ATOM 851 H HG . SER A 1 68 ? -48.614 8.344 -14.884 1.00 29.67 ? 80 SER A HG 1 ATOM 852 N N . PRO A 1 69 ? -51.759 5.567 -17.925 1.00 24.29 ? 81 PRO A N 1 ATOM 853 C CA . PRO A 1 69 ? -52.547 4.360 -17.743 1.00 24.33 ? 81 PRO A CA 1 ATOM 854 C C . PRO A 1 69 ? -52.092 3.640 -16.486 1.00 25.01 ? 81 PRO A C 1 ATOM 855 O O . PRO A 1 69 ? -50.925 3.705 -16.097 1.00 26.43 ? 81 PRO A O 1 ATOM 856 C CB . PRO A 1 69 ? -52.197 3.514 -18.967 1.00 24.83 ? 81 PRO A CB 1 ATOM 857 C CG . PRO A 1 69 ? -51.428 4.374 -19.870 1.00 26.38 ? 81 PRO A CG 1 ATOM 858 C CD . PRO A 1 69 ? -50.898 5.498 -19.119 1.00 25.12 ? 81 PRO A CD 1 ATOM 859 H HA . PRO A 1 69 ? -53.498 4.549 -17.713 1.00 29.20 ? 81 PRO A HA 1 ATOM 860 H HB2 . PRO A 1 69 ? -51.664 2.753 -18.689 1.00 29.80 ? 81 PRO A HB2 1 ATOM 861 H HB3 . PRO A 1 69 ? -53.014 3.217 -19.397 1.00 29.80 ? 81 PRO A HB3 1 ATOM 862 H HG2 . PRO A 1 69 ? -50.700 3.858 -20.251 1.00 31.66 ? 81 PRO A HG2 1 ATOM 863 H HG3 . PRO A 1 69 ? -52.012 4.693 -20.575 1.00 31.66 ? 81 PRO A HG3 1 ATOM 864 H HD2 . PRO A 1 69 ? -49.978 5.327 -18.861 1.00 30.14 ? 81 PRO A HD2 1 ATOM 865 H HD3 . PRO A 1 69 ? -50.974 6.314 -19.637 1.00 30.14 ? 81 PRO A HD3 1 ATOM 866 N N . TYR A 1 70 ? -53.017 2.899 -15.879 1.00 25.06 ? 82 TYR A N 1 ATOM 867 C CA . TYR A 1 70 ? -52.630 2.058 -14.764 1.00 25.25 ? 82 TYR A CA 1 ATOM 868 C C . TYR A 1 70 ? -51.426 1.164 -15.123 1.00 26.11 ? 82 TYR A C 1 ATOM 869 O O . TYR A 1 70 ? -50.501 1.015 -14.315 1.00 26.13 ? 82 TYR A O 1 ATOM 870 C CB . TYR A 1 70 ? -53.850 1.245 -14.288 1.00 26.09 ? 82 TYR A CB 1 ATOM 871 C CG . TYR A 1 70 ? -53.526 0.367 -13.124 1.00 28.43 ? 82 TYR A CG 1 ATOM 872 C CD1 . TYR A 1 70 ? -53.322 0.901 -11.848 1.00 29.97 ? 82 TYR A CD1 1 ATOM 873 C CD2 . TYR A 1 70 ? -53.368 -0.995 -13.298 1.00 31.74 ? 82 TYR A CD2 1 ATOM 874 C CE1 . TYR A 1 70 ? -53.001 0.054 -10.754 1.00 32.93 ? 82 TYR A CE1 1 ATOM 875 C CE2 . TYR A 1 70 ? -53.040 -1.814 -12.247 1.00 33.83 ? 82 TYR A CE2 1 ATOM 876 C CZ . TYR A 1 70 ? -52.853 -1.303 -10.989 1.00 35.04 ? 82 TYR A CZ 1 ATOM 877 O OH . TYR A 1 70 ? -52.532 -2.200 -10.005 1.00 39.80 ? 82 TYR A OH 1 ATOM 878 H H . TYR A 1 70 ? -53.850 2.868 -16.090 1.00 30.08 ? 82 TYR A H 1 ATOM 879 H HA . TYR A 1 70 ? -52.358 2.630 -14.029 1.00 30.30 ? 82 TYR A HA 1 ATOM 880 H HB2 . TYR A 1 70 ? -54.553 1.857 -14.018 1.00 31.31 ? 82 TYR A HB2 1 ATOM 881 H HB3 . TYR A 1 70 ? -54.159 0.682 -15.014 1.00 31.31 ? 82 TYR A HB3 1 ATOM 882 H HD1 . TYR A 1 70 ? -53.422 1.815 -11.710 1.00 35.96 ? 82 TYR A HD1 1 ATOM 883 H HD2 . TYR A 1 70 ? -53.485 -1.363 -14.144 1.00 38.09 ? 82 TYR A HD2 1 ATOM 884 H HE1 . TYR A 1 70 ? -52.868 0.407 -9.904 1.00 39.51 ? 82 TYR A HE1 1 ATOM 885 H HE2 . TYR A 1 70 ? -52.946 -2.728 -12.390 1.00 40.60 ? 82 TYR A HE2 1 ATOM 886 H HH . TYR A 1 70 ? -52.485 -2.974 -10.327 1.00 47.77 ? 82 TYR A HH 1 ATOM 887 N N . GLN A 1 71 ? -51.402 0.608 -16.350 1.00 25.87 ? 83 GLN A N 1 ATOM 888 C CA . GLN A 1 71 ? -50.291 -0.247 -16.778 1.00 25.55 ? 83 GLN A CA 1 ATOM 889 C C . GLN A 1 71 ? -48.944 0.470 -16.661 1.00 25.72 ? 83 GLN A C 1 ATOM 890 O O . GLN A 1 71 ? -47.937 -0.147 -16.285 1.00 26.27 ? 83 GLN A O 1 ATOM 891 C CB . GLN A 1 71 ? -50.523 -0.760 -18.210 1.00 26.97 ? 83 GLN A CB 1 ATOM 892 C CG . GLN A 1 71 ? -49.478 -1.766 -18.679 1.00 29.07 ? 83 GLN A CG 1 ATOM 893 C CD . GLN A 1 71 ? -49.816 -2.408 -20.029 1.00 31.73 ? 83 GLN A CD 1 ATOM 894 O OE1 . GLN A 1 71 ? -50.935 -2.303 -20.542 1.00 31.05 ? 83 GLN A OE1 1 ATOM 895 N NE2 . GLN A 1 71 ? -48.836 -3.090 -20.598 1.00 34.16 ? 83 GLN A NE2 1 ATOM 896 H H . GLN A 1 71 ? -52.014 0.714 -16.944 1.00 31.05 ? 83 GLN A H 1 ATOM 897 H HA . GLN A 1 71 ? -50.259 -1.022 -16.195 1.00 30.66 ? 83 GLN A HA 1 ATOM 898 H HB2 . GLN A 1 71 ? -51.390 -1.193 -18.250 1.00 32.37 ? 83 GLN A HB2 1 ATOM 899 H HB3 . GLN A 1 71 ? -50.504 -0.006 -18.819 1.00 32.37 ? 83 GLN A HB3 1 ATOM 900 H HG2 . GLN A 1 71 ? -48.625 -1.313 -18.770 1.00 34.89 ? 83 GLN A HG2 1 ATOM 901 H HG3 . GLN A 1 71 ? -49.407 -2.475 -18.021 1.00 34.89 ? 83 GLN A HG3 1 ATOM 902 H HE21 . GLN A 1 71 ? -48.071 -3.149 -20.209 1.00 40.99 ? 83 GLN A HE21 1 ATOM 903 H HE22 . GLN A 1 71 ? -48.964 -3.474 -21.357 1.00 40.99 ? 83 GLN A HE22 1 ATOM 904 N N . LEU A 1 72 ? -48.898 1.779 -16.966 1.00 24.81 ? 84 LEU A N 1 ATOM 905 C CA . LEU A 1 72 ? -47.654 2.519 -16.799 1.00 24.75 ? 84 LEU A CA 1 ATOM 906 C C . LEU A 1 72 ? -47.255 2.631 -15.327 1.00 24.55 ? 84 LEU A C 1 ATOM 907 O O . LEU A 1 72 ? -46.106 2.336 -14.941 1.00 24.87 ? 84 LEU A O 1 ATOM 908 C CB . LEU A 1 72 ? -47.801 3.903 -17.427 1.00 23.28 ? 84 LEU A CB 1 ATOM 909 C CG . LEU A 1 72 ? -46.659 4.863 -17.121 1.00 23.97 ? 84 LEU A CG 1 ATOM 910 C CD1 . LEU A 1 72 ? -45.404 4.339 -17.802 1.00 25.66 ? 84 LEU A CD1 1 ATOM 911 C CD2 . LEU A 1 72 ? -46.951 6.212 -17.582 1.00 22.99 ? 84 LEU A CD2 1 ATOM 912 H H . LEU A 1 72 ? -49.558 2.243 -17.263 1.00 29.77 ? 84 LEU A H 1 ATOM 913 H HA . LEU A 1 72 ? -46.944 2.052 -17.267 1.00 29.70 ? 84 LEU A HA 1 ATOM 914 H HB2 . LEU A 1 72 ? -47.850 3.802 -18.391 1.00 27.94 ? 84 LEU A HB2 1 ATOM 915 H HB3 . LEU A 1 72 ? -48.620 4.306 -17.100 1.00 27.94 ? 84 LEU A HB3 1 ATOM 916 H HG . LEU A 1 72 ? -46.503 4.890 -16.164 1.00 28.76 ? 84 LEU A HG 1 ATOM 917 H HD11 . LEU A 1 72 ? -44.668 4.942 -17.615 1.00 30.79 ? 84 LEU A HD11 1 ATOM 918 H HD12 . LEU A 1 72 ? -45.204 3.454 -17.457 1.00 30.79 ? 84 LEU A HD12 1 ATOM 919 H HD13 . LEU A 1 72 ? -45.561 4.293 -18.759 1.00 30.79 ? 84 LEU A HD13 1 ATOM 920 H HD21 . LEU A 1 72 ? -46.200 6.788 -17.367 1.00 27.59 ? 84 LEU A HD21 1 ATOM 921 H HD22 . LEU A 1 72 ? -47.090 6.194 -18.542 1.00 27.59 ? 84 LEU A HD22 1 ATOM 922 H HD23 . LEU A 1 72 ? -47.751 6.531 -17.137 1.00 27.59 ? 84 LEU A HD23 1 ATOM 923 N N . ILE A 1 73 ? -48.188 3.058 -14.478 1.00 24.78 ? 85 ILE A N 1 ATOM 924 C CA . ILE A 1 73 ? -47.880 3.198 -13.057 1.00 25.40 ? 85 ILE A CA 1 ATOM 925 C C . ILE A 1 73 ? -47.442 1.873 -12.457 1.00 25.21 ? 85 ILE A C 1 ATOM 926 O O . ILE A 1 73 ? -46.477 1.817 -11.689 1.00 24.38 ? 85 ILE A O 1 ATOM 927 C CB . ILE A 1 73 ? -49.071 3.830 -12.318 1.00 25.85 ? 85 ILE A CB 1 ATOM 928 C CG1 . ILE A 1 73 ? -49.198 5.299 -12.748 1.00 27.35 ? 85 ILE A CG1 1 ATOM 929 C CG2 . ILE A 1 73 ? -48.912 3.705 -10.810 1.00 26.27 ? 85 ILE A CG2 1 ATOM 930 C CD1 . ILE A 1 73 ? -50.547 5.852 -12.482 1.00 28.79 ? 85 ILE A CD1 1 ATOM 931 H H . ILE A 1 73 ? -48.993 3.269 -14.695 1.00 29.74 ? 85 ILE A H 1 ATOM 932 H HA . ILE A 1 73 ? -47.133 3.811 -12.969 1.00 30.47 ? 85 ILE A HA 1 ATOM 933 H HB . ILE A 1 73 ? -49.879 3.362 -12.581 1.00 31.02 ? 85 ILE A HB 1 ATOM 934 H HG12 . ILE A 1 73 ? -48.552 5.830 -12.257 1.00 32.81 ? 85 ILE A HG12 1 ATOM 935 H HG13 . ILE A 1 73 ? -49.028 5.366 -13.701 1.00 32.81 ? 85 ILE A HG13 1 ATOM 936 H HG21 . ILE A 1 73 ? -49.679 4.113 -10.378 1.00 31.52 ? 85 ILE A HG21 1 ATOM 937 H HG22 . ILE A 1 73 ? -48.860 2.766 -10.575 1.00 31.52 ? 85 ILE A HG22 1 ATOM 938 H HG23 . ILE A 1 73 ? -48.099 4.160 -10.540 1.00 31.52 ? 85 ILE A HG23 1 ATOM 939 H HD11 . ILE A 1 73 ? -50.571 6.777 -12.771 1.00 34.55 ? 85 ILE A HD11 1 ATOM 940 H HD12 . ILE A 1 73 ? -51.203 5.333 -12.974 1.00 34.55 ? 85 ILE A HD12 1 ATOM 941 H HD13 . ILE A 1 73 ? -50.728 5.797 -11.530 1.00 34.55 ? 85 ILE A HD13 1 ATOM 942 N N . LEU A 1 74 ? -48.146 0.790 -12.773 1.00 25.99 ? 86 LEU A N 1 ATOM 943 C CA . LEU A 1 74 ? -47.756 -0.496 -12.227 1.00 25.50 ? 86 LEU A CA 1 ATOM 944 C C . LEU A 1 74 ? -46.369 -0.882 -12.700 1.00 25.77 ? 86 LEU A C 1 ATOM 945 O O . LEU A 1 74 ? -45.599 -1.479 -11.944 1.00 27.40 ? 86 LEU A O 1 ATOM 946 C CB . LEU A 1 74 ? -48.789 -1.557 -12.616 1.00 28.28 ? 86 LEU A CB 1 ATOM 947 C CG . LEU A 1 74 ? -48.591 -2.874 -11.918 1.00 32.34 ? 86 LEU A CG 1 ATOM 948 C CD1 . LEU A 1 74 ? -48.786 -2.765 -10.392 1.00 32.92 ? 86 LEU A CD1 1 ATOM 949 C CD2 . LEU A 1 74 ? -49.571 -3.856 -12.522 1.00 33.72 ? 86 LEU A CD2 1 ATOM 950 H H . LEU A 1 74 ? -48.834 0.776 -13.288 1.00 31.19 ? 86 LEU A H 1 ATOM 951 H HA . LEU A 1 74 ? -47.736 -0.437 -11.260 1.00 30.60 ? 86 LEU A HA 1 ATOM 952 H HB2 . LEU A 1 74 ? -49.674 -1.231 -12.388 1.00 33.93 ? 86 LEU A HB2 1 ATOM 953 H HB3 . LEU A 1 74 ? -48.733 -1.715 -13.571 1.00 33.93 ? 86 LEU A HB3 1 ATOM 954 H HG . LEU A 1 74 ? -47.692 -3.196 -12.089 1.00 38.81 ? 86 LEU A HG 1 ATOM 955 H HD11 . LEU A 1 74 ? -48.647 -3.638 -9.993 1.00 39.51 ? 86 LEU A HD11 1 ATOM 956 H HD12 . LEU A 1 74 ? -48.143 -2.132 -10.036 1.00 39.51 ? 86 LEU A HD12 1 ATOM 957 H HD13 . LEU A 1 74 ? -49.689 -2.458 -10.211 1.00 39.51 ? 86 LEU A HD13 1 ATOM 958 H HD21 . LEU A 1 74 ? -49.463 -4.716 -12.088 1.00 40.47 ? 86 LEU A HD21 1 ATOM 959 H HD22 . LEU A 1 74 ? -50.473 -3.526 -12.384 1.00 40.47 ? 86 LEU A HD22 1 ATOM 960 H HD23 . LEU A 1 74 ? -49.390 -3.938 -13.471 1.00 40.47 ? 86 LEU A HD23 1 ATOM 961 N N . SER A 1 75 ? -46.046 -0.593 -13.964 1.00 25.17 ? 87 SER A N 1 ATOM 962 C CA . SER A 1 75 ? -44.713 -0.930 -14.471 1.00 24.56 ? 87 SER A CA 1 ATOM 963 C C . SER A 1 75 ? -43.628 -0.202 -13.698 1.00 24.49 ? 87 SER A C 1 ATOM 964 O O . SER A 1 75 ? -42.542 -0.757 -13.497 1.00 24.46 ? 87 SER A O 1 ATOM 965 C CB . SER A 1 75 ? -44.606 -0.688 -15.990 1.00 26.84 ? 87 SER A CB 1 ATOM 966 O OG . SER A 1 75 ? -44.531 0.681 -16.314 1.00 26.98 ? 87 SER A OG 1 ATOM 967 H H . SER A 1 75 ? -46.565 -0.213 -14.534 1.00 30.21 ? 87 SER A H 1 ATOM 968 H HA . SER A 1 75 ? -44.571 -1.879 -14.328 1.00 29.47 ? 87 SER A HA 1 ATOM 969 H HB2 . SER A 1 75 ? -43.808 -1.129 -16.319 1.00 32.20 ? 87 SER A HB2 1 ATOM 970 H HB3 . SER A 1 75 ? -45.389 -1.066 -16.420 1.00 32.20 ? 87 SER A HB3 1 ATOM 971 H HG . SER A 1 75 ? -45.219 1.079 -16.041 1.00 32.37 ? 87 SER A HG 1 ATOM 972 N N . ALA A 1 76 ? -43.902 1.026 -13.251 1.00 24.19 ? 88 ALA A N 1 ATOM 973 C CA . ALA A 1 76 ? -42.912 1.785 -12.494 1.00 23.01 ? 88 ALA A CA 1 ATOM 974 C C . ALA A 1 76 ? -42.689 1.149 -11.138 1.00 23.32 ? 88 ALA A C 1 ATOM 975 O O . ALA A 1 76 ? -41.546 0.976 -10.701 1.00 24.95 ? 88 ALA A O 1 ATOM 976 C CB . ALA A 1 76 ? -43.366 3.241 -12.311 1.00 22.67 ? 88 ALA A CB 1 ATOM 977 H H . ALA A 1 76 ? -44.647 1.437 -13.373 1.00 29.03 ? 88 ALA A H 1 ATOM 978 H HA . ALA A 1 76 ? -42.069 1.785 -12.975 1.00 27.61 ? 88 ALA A HA 1 ATOM 979 H HB1 . ALA A 1 76 ? -42.692 3.721 -11.806 1.00 27.20 ? 88 ALA A HB1 1 ATOM 980 H HB2 . ALA A 1 76 ? -43.479 3.649 -13.184 1.00 27.20 ? 88 ALA A HB2 1 ATOM 981 H HB3 . ALA A 1 76 ? -44.209 3.251 -11.831 1.00 27.20 ? 88 ALA A HB3 1 ATOM 982 N N . PHE A 1 77 ? -43.775 0.802 -10.448 1.00 23.99 ? 89 PHE A N 1 ATOM 983 C CA . PHE A 1 77 ? -43.625 0.195 -9.136 1.00 24.67 ? 89 PHE A CA 1 ATOM 984 C C . PHE A 1 77 ? -43.104 -1.230 -9.221 1.00 25.39 ? 89 PHE A C 1 ATOM 985 O O . PHE A 1 77 ? -42.325 -1.641 -8.338 1.00 26.33 ? 89 PHE A O 1 ATOM 986 C CB . PHE A 1 77 ? -44.927 0.259 -8.356 1.00 25.79 ? 89 PHE A CB 1 ATOM 987 C CG . PHE A 1 77 ? -45.271 1.624 -7.869 1.00 26.20 ? 89 PHE A CG 1 ATOM 988 C CD1 . PHE A 1 77 ? -44.433 2.296 -6.992 1.00 26.06 ? 89 PHE A CD1 1 ATOM 989 C CD2 . PHE A 1 77 ? -46.457 2.223 -8.260 1.00 26.53 ? 89 PHE A CD2 1 ATOM 990 C CE1 . PHE A 1 77 ? -44.765 3.540 -6.528 1.00 24.65 ? 89 PHE A CE1 1 ATOM 991 C CE2 . PHE A 1 77 ? -46.801 3.475 -7.801 1.00 26.78 ? 89 PHE A CE2 1 ATOM 992 C CZ . PHE A 1 77 ? -45.963 4.140 -6.921 1.00 26.08 ? 89 PHE A CZ 1 ATOM 993 H H . PHE A 1 77 ? -44.587 0.905 -10.712 1.00 28.79 ? 89 PHE A H 1 ATOM 994 H HA . PHE A 1 77 ? -42.969 0.710 -8.639 1.00 29.60 ? 89 PHE A HA 1 ATOM 995 H HB2 . PHE A 1 77 ? -45.649 -0.042 -8.930 1.00 30.95 ? 89 PHE A HB2 1 ATOM 996 H HB3 . PHE A 1 77 ? -44.857 -0.323 -7.583 1.00 30.95 ? 89 PHE A HB3 1 ATOM 997 H HD1 . PHE A 1 77 ? -43.639 1.898 -6.717 1.00 31.28 ? 89 PHE A HD1 1 ATOM 998 H HD2 . PHE A 1 77 ? -47.027 1.775 -8.842 1.00 31.84 ? 89 PHE A HD2 1 ATOM 999 H HE1 . PHE A 1 77 ? -44.194 3.983 -5.942 1.00 29.58 ? 89 PHE A HE1 1 ATOM 1000 H HE2 . PHE A 1 77 ? -47.599 3.869 -8.073 1.00 32.13 ? 89 PHE A HE2 1 ATOM 1001 H HZ . PHE A 1 77 ? -46.184 4.990 -6.615 1.00 31.29 ? 89 PHE A HZ 1 ATOM 1002 N N . ASP A 1 78 ? -43.483 -1.993 -10.264 1.00 27.26 ? 90 ASP A N 1 ATOM 1003 C CA . ASP A 1 78 ? -42.896 -3.319 -10.443 1.00 28.32 ? 90 ASP A CA 1 ATOM 1004 C C . ASP A 1 78 ? -41.401 -3.205 -10.717 1.00 28.16 ? 90 ASP A C 1 ATOM 1005 O O . ASP A 1 78 ? -40.597 -4.007 -10.220 1.00 29.69 ? 90 ASP A O 1 ATOM 1006 C CB . ASP A 1 78 ? -43.599 -4.046 -11.592 1.00 30.48 ? 90 ASP A CB 1 ATOM 1007 C CG . ASP A 1 78 ? -44.925 -4.681 -11.173 1.00 36.09 ? 90 ASP A CG 1 ATOM 1008 O OD1 . ASP A 1 78 ? -45.141 -4.948 -9.957 1.00 39.08 ? 90 ASP A OD1 1 ATOM 1009 O OD2 . ASP A 1 78 ? -45.738 -4.945 -12.072 1.00 38.17 ? 90 ASP A OD2 1 ATOM 1010 H H . ASP A 1 78 ? -44.060 -1.768 -10.861 1.00 32.72 ? 90 ASP A H 1 ATOM 1011 H HA . ASP A 1 78 ? -43.020 -3.838 -9.633 1.00 33.98 ? 90 ASP A HA 1 ATOM 1012 H HB2 . ASP A 1 78 ? -43.782 -3.411 -12.302 1.00 36.58 ? 90 ASP A HB2 1 ATOM 1013 H HB3 . ASP A 1 78 ? -43.019 -4.752 -11.920 1.00 36.58 ? 90 ASP A HB3 1 ATOM 1014 N N . PHE A 1 79 ? -41.000 -2.181 -11.472 1.00 27.40 ? 91 PHE A N 1 ATOM 1015 C CA . PHE A 1 79 ? -39.576 -1.964 -11.688 1.00 27.75 ? 91 PHE A CA 1 ATOM 1016 C C . PHE A 1 79 ? -38.865 -1.752 -10.354 1.00 27.11 ? 91 PHE A C 1 ATOM 1017 O O . PHE A 1 79 ? -37.840 -2.383 -10.067 1.00 27.87 ? 91 PHE A O 1 ATOM 1018 C CB . PHE A 1 79 ? -39.335 -0.768 -12.614 1.00 28.84 ? 91 PHE A CB 1 ATOM 1019 C CG . PHE A 1 79 ? -37.936 -0.266 -12.525 1.00 29.92 ? 91 PHE A CG 1 ATOM 1020 C CD1 . PHE A 1 79 ? -36.893 -1.009 -13.076 1.00 31.62 ? 91 PHE A CD1 1 ATOM 1021 C CD2 . PHE A 1 79 ? -37.642 0.895 -11.835 1.00 30.06 ? 91 PHE A CD2 1 ATOM 1022 C CE1 . PHE A 1 79 ? -35.596 -0.588 -12.951 1.00 32.87 ? 91 PHE A CE1 1 ATOM 1023 C CE2 . PHE A 1 79 ? -36.341 1.316 -11.714 1.00 31.16 ? 91 PHE A CE2 1 ATOM 1024 C CZ . PHE A 1 79 ? -35.318 0.566 -12.264 1.00 32.36 ? 91 PHE A CZ 1 ATOM 1025 H H . PHE A 1 79 ? -41.519 -1.614 -11.858 1.00 32.88 ? 91 PHE A H 1 ATOM 1026 H HA . PHE A 1 79 ? -39.197 -2.751 -12.109 1.00 33.30 ? 91 PHE A HA 1 ATOM 1027 H HB2 . PHE A 1 79 ? -39.502 -1.037 -13.531 1.00 34.60 ? 91 PHE A HB2 1 ATOM 1028 H HB3 . PHE A 1 79 ? -39.932 -0.045 -12.364 1.00 34.60 ? 91 PHE A HB3 1 ATOM 1029 H HD1 . PHE A 1 79 ? -37.080 -1.801 -13.526 1.00 37.95 ? 91 PHE A HD1 1 ATOM 1030 H HD2 . PHE A 1 79 ? -38.327 1.391 -11.449 1.00 36.07 ? 91 PHE A HD2 1 ATOM 1031 H HE1 . PHE A 1 79 ? -34.906 -1.084 -13.329 1.00 39.44 ? 91 PHE A HE1 1 ATOM 1032 H HE2 . PHE A 1 79 ? -36.147 2.103 -11.257 1.00 37.39 ? 91 PHE A HE2 1 ATOM 1033 H HZ . PHE A 1 79 ? -34.439 0.863 -12.197 1.00 38.83 ? 91 PHE A HZ 1 ATOM 1034 N N . ILE A 1 80 ? -39.392 -0.848 -9.525 1.00 27.75 ? 92 ILE A N 1 ATOM 1035 C CA . ILE A 1 80 ? -38.799 -0.594 -8.206 1.00 27.63 ? 92 ILE A CA 1 ATOM 1036 C C . ILE A 1 80 ? -38.699 -1.893 -7.405 1.00 28.60 ? 92 ILE A C 1 ATOM 1037 O O . ILE A 1 80 ? -37.654 -2.213 -6.816 1.00 29.61 ? 92 ILE A O 1 ATOM 1038 C CB . ILE A 1 80 ? -39.608 0.488 -7.470 1.00 27.12 ? 92 ILE A CB 1 ATOM 1039 C CG1 . ILE A 1 80 ? -39.398 1.854 -8.182 1.00 26.04 ? 92 ILE A CG1 1 ATOM 1040 C CG2 . ILE A 1 80 ? -39.228 0.526 -6.000 1.00 29.15 ? 92 ILE A CG2 1 ATOM 1041 C CD1 . ILE A 1 80 ? -40.216 2.995 -7.642 1.00 26.63 ? 92 ILE A CD1 1 ATOM 1042 H H . ILE A 1 80 ? -40.087 -0.371 -9.698 1.00 33.30 ? 92 ILE A H 1 ATOM 1043 H HA . ILE A 1 80 ? -37.898 -0.255 -8.330 1.00 33.16 ? 92 ILE A HA 1 ATOM 1044 H HB . ILE A 1 80 ? -40.548 0.257 -7.532 1.00 32.55 ? 92 ILE A HB 1 ATOM 1045 H HG12 . ILE A 1 80 ? -38.464 2.102 -8.102 1.00 31.25 ? 92 ILE A HG12 1 ATOM 1046 H HG13 . ILE A 1 80 ? -39.627 1.750 -9.119 1.00 31.25 ? 92 ILE A HG13 1 ATOM 1047 H HG21 . ILE A 1 80 ? -39.750 1.214 -5.557 1.00 34.98 ? 92 ILE A HG21 1 ATOM 1048 H HG22 . ILE A 1 80 ? -39.416 -0.339 -5.603 1.00 34.98 ? 92 ILE A HG22 1 ATOM 1049 H HG23 . ILE A 1 80 ? -38.282 0.727 -5.924 1.00 34.98 ? 92 ILE A HG23 1 ATOM 1050 H HD11 . ILE A 1 80 ? -40.014 3.796 -8.150 1.00 31.96 ? 92 ILE A HD11 1 ATOM 1051 H HD12 . ILE A 1 80 ? -41.157 2.777 -7.728 1.00 31.96 ? 92 ILE A HD12 1 ATOM 1052 H HD13 . ILE A 1 80 ? -39.991 3.129 -6.708 1.00 31.96 ? 92 ILE A HD13 1 ATOM 1053 N N . LYS A 1 81 ? -39.791 -2.650 -7.368 1.00 28.74 ? 93 LYS A N 1 ATOM 1054 C CA . LYS A 1 81 ? -39.848 -3.873 -6.578 1.00 31.69 ? 93 LYS A CA 1 ATOM 1055 C C . LYS A 1 81 ? -38.783 -4.859 -7.022 1.00 33.33 ? 93 LYS A C 1 ATOM 1056 O O . LYS A 1 81 ? -38.185 -5.555 -6.196 1.00 35.22 ? 93 LYS A O 1 ATOM 1057 C CB . LYS A 1 81 ? -41.240 -4.493 -6.730 1.00 33.13 ? 93 LYS A CB 1 ATOM 1058 C CG . LYS A 1 81 ? -41.461 -5.778 -5.926 1.00 35.78 ? 93 LYS A CG 1 ATOM 1059 C CD . LYS A 1 81 ? -42.030 -5.439 -4.584 1.00 40.64 ? 93 LYS A CD 1 ATOM 1060 C CE . LYS A 1 81 ? -42.055 -6.600 -3.618 1.00 43.16 ? 93 LYS A CE 1 ATOM 1061 N NZ . LYS A 1 81 ? -41.983 -6.079 -2.204 1.00 43.32 ? 93 LYS A NZ 1 ATOM 1062 H H . LYS A 1 81 ? -40.517 -2.475 -7.794 1.00 34.49 ? 93 LYS A H 1 ATOM 1063 H HA . LYS A 1 81 ? -39.704 -3.663 -5.643 1.00 38.03 ? 93 LYS A HA 1 ATOM 1064 H HB2 . LYS A 1 81 ? -41.901 -3.846 -6.437 1.00 39.76 ? 93 LYS A HB2 1 ATOM 1065 H HB3 . LYS A 1 81 ? -41.384 -4.704 -7.666 1.00 39.76 ? 93 LYS A HB3 1 ATOM 1066 H HG2 . LYS A 1 81 ? -42.088 -6.352 -6.393 1.00 42.94 ? 93 LYS A HG2 1 ATOM 1067 H HG3 . LYS A 1 81 ? -40.613 -6.232 -5.797 1.00 42.94 ? 93 LYS A HG3 1 ATOM 1068 H HD2 . LYS A 1 81 ? -41.495 -4.735 -4.186 1.00 48.77 ? 93 LYS A HD2 1 ATOM 1069 H HD3 . LYS A 1 81 ? -42.943 -5.132 -4.700 1.00 48.77 ? 93 LYS A HD3 1 ATOM 1070 H HE2 . LYS A 1 81 ? -42.883 -7.096 -3.724 1.00 51.80 ? 93 LYS A HE2 1 ATOM 1071 H HE3 . LYS A 1 81 ? -41.290 -7.174 -3.777 1.00 51.80 ? 93 LYS A HE3 1 ATOM 1072 H HZ1 . LYS A 1 81 ? -41.997 -6.759 -1.629 1.00 51.99 ? 93 LYS A HZ1 1 ATOM 1073 H HZ2 . LYS A 1 81 ? -41.230 -5.618 -2.088 1.00 51.99 ? 93 LYS A HZ2 1 ATOM 1074 H HZ3 . LYS A 1 81 ? -42.677 -5.547 -2.040 1.00 51.99 ? 93 LYS A HZ3 1 ATOM 1075 N N . ASN A 1 82 ? -38.538 -4.947 -8.322 1.00 33.41 ? 94 ASN A N 1 ATOM 1076 C CA . ASN A 1 82 ? -37.670 -5.984 -8.860 1.00 35.40 ? 94 ASN A CA 1 ATOM 1077 C C . ASN A 1 82 ? -36.264 -5.496 -9.157 1.00 37.17 ? 94 ASN A C 1 ATOM 1078 O O . ASN A 1 82 ? -35.446 -6.272 -9.663 1.00 38.23 ? 94 ASN A O 1 ATOM 1079 C CB . ASN A 1 82 ? -38.303 -6.566 -10.115 1.00 38.36 ? 94 ASN A CB 1 ATOM 1080 C CG . ASN A 1 82 ? -39.584 -7.273 -9.815 1.00 42.62 ? 94 ASN A CG 1 ATOM 1081 O OD1 . ASN A 1 82 ? -39.679 -7.998 -8.825 1.00 44.97 ? 94 ASN A OD1 1 ATOM 1082 N ND2 . ASN A 1 82 ? -40.586 -7.076 -10.663 1.00 45.43 ? 94 ASN A ND2 1 ATOM 1083 H H . ASN A 1 82 ? -38.864 -4.418 -8.916 1.00 40.10 ? 94 ASN A H 1 ATOM 1084 H HA . ASN A 1 82 ? -37.600 -6.698 -8.207 1.00 42.48 ? 94 ASN A HA 1 ATOM 1085 H HB2 . ASN A 1 82 ? -38.492 -5.849 -10.740 1.00 46.03 ? 94 ASN A HB2 1 ATOM 1086 H HB3 . ASN A 1 82 ? -37.691 -7.205 -10.514 1.00 46.03 ? 94 ASN A HB3 1 ATOM 1087 H HD21 . ASN A 1 82 ? -41.343 -7.462 -10.531 1.00 54.52 ? 94 ASN A HD21 1 ATOM 1088 H HD22 . ASN A 1 82 ? -40.478 -6.562 -11.344 1.00 54.52 ? 94 ASN A HD22 1 ATOM 1089 N N . SER A 1 83 ? -35.950 -4.250 -8.797 1.00 37.79 ? 95 SER A N 1 ATOM 1090 C CA . SER A 1 83 ? -34.732 -3.578 -9.227 1.00 38.40 ? 95 SER A CA 1 ATOM 1091 C C . SER A 1 83 ? -33.464 -4.107 -8.569 1.00 41.37 ? 95 SER A C 1 ATOM 1092 O O . SER A 1 83 ? -32.369 -3.750 -9.015 1.00 43.30 ? 95 SER A O 1 ATOM 1093 C CB . SER A 1 83 ? -34.847 -2.090 -8.910 1.00 36.60 ? 95 SER A CB 1 ATOM 1094 O OG . SER A 1 83 ? -34.872 -1.865 -7.514 1.00 34.59 ? 95 SER A OG 1 ATOM 1095 H H . SER A 1 83 ? -36.444 -3.764 -8.288 1.00 45.34 ? 95 SER A H 1 ATOM 1096 H HA . SER A 1 83 ? -34.637 -3.676 -10.188 1.00 46.09 ? 95 SER A HA 1 ATOM 1097 H HB2 . SER A 1 83 ? -34.083 -1.627 -9.290 1.00 43.92 ? 95 SER A HB2 1 ATOM 1098 H HB3 . SER A 1 83 ? -35.667 -1.748 -9.299 1.00 43.92 ? 95 SER A HB3 1 ATOM 1099 H HG . SER A 1 83 ? -35.529 -2.260 -7.171 1.00 41.50 ? 95 SER A HG 1 ATOM 1100 N N . GLY A 1 84 ? -33.558 -4.893 -7.507 1.00 41.68 ? 96 GLY A N 1 ATOM 1101 C CA . GLY A 1 84 ? -32.353 -5.250 -6.779 1.00 43.67 ? 96 GLY A CA 1 ATOM 1102 C C . GLY A 1 84 ? -31.769 -4.131 -5.947 1.00 44.76 ? 96 GLY A C 1 ATOM 1103 O O . GLY A 1 84 ? -30.737 -4.330 -5.301 1.00 45.90 ? 96 GLY A O 1 ATOM 1104 H H . GLY A 1 84 ? -34.288 -5.224 -7.194 1.00 50.02 ? 96 GLY A H 1 ATOM 1105 H HA2 . GLY A 1 84 ? -32.550 -5.993 -6.187 1.00 52.40 ? 96 GLY A HA2 1 ATOM 1106 H HA3 . GLY A 1 84 ? -31.676 -5.539 -7.411 1.00 52.40 ? 96 GLY A HA3 1 ATOM 1107 N N . GLN A 1 85 ? -32.380 -2.955 -5.940 1.00 45.61 ? 97 GLN A N 1 ATOM 1108 C CA . GLN A 1 85 ? -31.934 -1.900 -5.049 1.00 45.70 ? 97 GLN A CA 1 ATOM 1109 C C . GLN A 1 85 ? -32.593 -2.106 -3.697 1.00 47.41 ? 97 GLN A C 1 ATOM 1110 O O . GLN A 1 85 ? -33.804 -2.327 -3.611 1.00 49.57 ? 97 GLN A O 1 ATOM 1111 C CB . GLN A 1 85 ? -32.324 -0.537 -5.612 1.00 44.93 ? 97 GLN A CB 1 ATOM 1112 C CG . GLN A 1 85 ? -31.594 -0.192 -6.905 1.00 45.42 ? 97 GLN A CG 1 ATOM 1113 C CD . GLN A 1 85 ? -30.186 0.336 -6.679 1.00 46.21 ? 97 GLN A CD 1 ATOM 1114 O OE1 . GLN A 1 85 ? -29.505 -0.048 -5.738 1.00 45.09 ? 97 GLN A OE1 1 ATOM 1115 N NE2 . GLN A 1 85 ? -29.755 1.244 -7.540 1.00 48.22 ? 97 GLN A NE2 1 ATOM 1116 H H . GLN A 1 85 ? -33.050 -2.745 -6.437 1.00 54.74 ? 97 GLN A H 1 ATOM 1117 H HA . GLN A 1 85 ? -30.971 -1.937 -4.942 1.00 54.84 ? 97 GLN A HA 1 ATOM 1118 H HB2 . GLN A 1 85 ? -33.276 -0.533 -5.796 1.00 53.92 ? 97 GLN A HB2 1 ATOM 1119 H HB3 . GLN A 1 85 ? -32.111 0.147 -4.957 1.00 53.92 ? 97 GLN A HB3 1 ATOM 1120 H HG2 . GLN A 1 85 ? -31.529 -0.991 -7.451 1.00 54.50 ? 97 GLN A HG2 1 ATOM 1121 H HG3 . GLN A 1 85 ? -32.097 0.491 -7.377 1.00 54.50 ? 97 GLN A HG3 1 ATOM 1122 H HE21 . GLN A 1 85 ? -30.265 1.503 -8.183 1.00 57.86 ? 97 GLN A HE21 1 ATOM 1123 H HE22 . GLN A 1 85 ? -28.966 1.575 -7.457 1.00 57.86 ? 97 GLN A HE22 1 ATOM 1124 N N . GLU A 1 86 ? -31.804 -2.053 -2.640 1.00 47.03 ? 98 GLU A N 1 ATOM 1125 C CA . GLU A 1 86 ? -32.386 -2.042 -1.316 1.00 47.30 ? 98 GLU A CA 1 ATOM 1126 C C . GLU A 1 86 ? -32.733 -0.599 -1.026 1.00 43.37 ? 98 GLU A C 1 ATOM 1127 O O . GLU A 1 86 ? -32.021 0.314 -1.454 1.00 46.18 ? 98 GLU A O 1 ATOM 1128 C CB . GLU A 1 86 ? -31.390 -2.579 -0.282 1.00 51.96 ? 98 GLU A CB 1 ATOM 1129 C CG . GLU A 1 86 ? -30.909 -4.019 -0.546 1.00 56.11 ? 98 GLU A CG 1 ATOM 1130 C CD . GLU A 1 86 ? -32.039 -5.058 -0.510 1.00 59.69 ? 98 GLU A CD 1 ATOM 1131 O OE1 . GLU A 1 86 ? -33.017 -4.857 0.239 1.00 61.40 ? 98 GLU A OE1 1 ATOM 1132 O OE2 . GLU A 1 86 ? -31.951 -6.077 -1.235 1.00 60.75 ? 98 GLU A OE2 1 ATOM 1133 H H . GLU A 1 86 ? -30.945 -2.023 -2.661 1.00 56.43 ? 98 GLU A H 1 ATOM 1134 H HA . GLU A 1 86 ? -33.194 -2.579 -1.296 1.00 56.75 ? 98 GLU A HA 1 ATOM 1135 H HB2 . GLU A 1 86 ? -30.609 -2.004 -0.277 1.00 62.35 ? 98 GLU A HB2 1 ATOM 1136 H HB3 . GLU A 1 86 ? -31.812 -2.565 0.591 1.00 62.35 ? 98 GLU A HB3 1 ATOM 1137 H HG2 . GLU A 1 86 ? -30.498 -4.056 -1.424 1.00 67.33 ? 98 GLU A HG2 1 ATOM 1138 H HG3 . GLU A 1 86 ? -30.260 -4.262 0.133 1.00 67.33 ? 98 GLU A HG3 1 ATOM 1139 N N . ALA A 1 87 ? -33.877 -0.382 -0.402 1.00 36.65 ? 99 ALA A N 1 ATOM 1140 C CA . ALA A 1 87 ? -34.260 0.962 -0.006 1.00 32.65 ? 99 ALA A CA 1 ATOM 1141 C C . ALA A 1 87 ? -34.964 0.861 1.327 1.00 29.89 ? 99 ALA A C 1 ATOM 1142 O O . ALA A 1 87 ? -35.746 -0.064 1.538 1.00 30.07 ? 99 ALA A O 1 ATOM 1143 C CB . ALA A 1 87 ? -35.207 1.604 -1.016 1.00 32.75 ? 99 ALA A CB 1 ATOM 1144 H H . ALA A 1 87 ? -34.449 -0.991 -0.196 1.00 43.98 ? 99 ALA A H 1 ATOM 1145 H HA . ALA A 1 87 ? -33.472 1.519 0.091 1.00 39.18 ? 99 ALA A HA 1 ATOM 1146 H HB1 . ALA A 1 87 ? -35.435 2.497 -0.711 1.00 39.30 ? 99 ALA A HB1 1 ATOM 1147 H HB2 . ALA A 1 87 ? -34.765 1.651 -1.878 1.00 39.30 ? 99 ALA A HB2 1 ATOM 1148 H HB3 . ALA A 1 87 ? -36.009 1.063 -1.085 1.00 39.30 ? 99 ALA A HB3 1 ATOM 1149 N N . SER A 1 88 ? -34.705 1.810 2.224 1.00 27.80 ? 100 SER A N 1 ATOM 1150 C CA . SER A 1 88 ? -35.321 1.700 3.540 1.00 28.54 ? 100 SER A CA 1 ATOM 1151 C C . SER A 1 88 ? -36.605 2.507 3.684 1.00 28.11 ? 100 SER A C 1 ATOM 1152 O O . SER A 1 88 ? -37.314 2.338 4.696 1.00 29.57 ? 100 SER A O 1 ATOM 1153 C CB . SER A 1 88 ? -34.333 2.048 4.637 1.00 31.18 ? 100 SER A CB 1 ATOM 1154 O OG . SER A 1 88 ? -33.834 3.326 4.458 1.00 32.07 ? 100 SER A OG 1 ATOM 1155 H H . SER A 1 88 ? -34.200 2.495 2.105 1.00 33.36 ? 100 SER A H 1 ATOM 1156 H HA . SER A 1 88 ? -35.564 0.770 3.671 1.00 34.25 ? 100 SER A HA 1 ATOM 1157 H HB2 . SER A 1 88 ? -34.784 2.002 5.494 1.00 37.42 ? 100 SER A HB2 1 ATOM 1158 H HB3 . SER A 1 88 ? -33.598 1.415 4.613 1.00 37.42 ? 100 SER A HB3 1 ATOM 1159 H HG . SER A 1 88 ? -34.461 3.884 4.476 1.00 38.48 ? 100 SER A HG 1 ATOM 1160 N N . PHE A 1 89 ? -36.919 3.364 2.721 1.00 26.57 ? 101 PHE A N 1 ATOM 1161 C CA . PHE A 1 89 ? -38.180 4.103 2.701 1.00 24.95 ? 101 PHE A CA 1 ATOM 1162 C C . PHE A 1 89 ? -38.368 4.691 1.304 1.00 24.91 ? 101 PHE A C 1 ATOM 1163 O O . PHE A 1 89 ? -37.503 4.572 0.431 1.00 24.63 ? 101 PHE A O 1 ATOM 1164 C CB . PHE A 1 89 ? -38.296 5.163 3.815 1.00 24.83 ? 101 PHE A CB 1 ATOM 1165 C CG . PHE A 1 89 ? -37.283 6.265 3.735 1.00 24.90 ? 101 PHE A CG 1 ATOM 1166 C CD1 . PHE A 1 89 ? -37.606 7.505 3.154 1.00 25.63 ? 101 PHE A CD1 1 ATOM 1167 C CD2 . PHE A 1 89 ? -36.025 6.081 4.234 1.00 25.06 ? 101 PHE A CD2 1 ATOM 1168 C CE1 . PHE A 1 89 ? -36.663 8.518 3.093 1.00 24.65 ? 101 PHE A CE1 1 ATOM 1169 C CE2 . PHE A 1 89 ? -35.075 7.091 4.175 1.00 24.70 ? 101 PHE A CE2 1 ATOM 1170 C CZ . PHE A 1 89 ? -35.382 8.296 3.629 1.00 24.72 ? 101 PHE A CZ 1 ATOM 1171 H H . PHE A 1 89 ? -36.409 3.539 2.051 1.00 31.89 ? 101 PHE A H 1 ATOM 1172 H HA . PHE A 1 89 ? -38.901 3.468 2.841 1.00 29.93 ? 101 PHE A HA 1 ATOM 1173 H HB2 . PHE A 1 89 ? -39.176 5.568 3.766 1.00 29.80 ? 101 PHE A HB2 1 ATOM 1174 H HB3 . PHE A 1 89 ? -38.186 4.724 4.673 1.00 29.80 ? 101 PHE A HB3 1 ATOM 1175 H HD1 . PHE A 1 89 ? -38.459 7.647 2.812 1.00 30.76 ? 101 PHE A HD1 1 ATOM 1176 H HD2 . PHE A 1 89 ? -35.802 5.266 4.621 1.00 30.07 ? 101 PHE A HD2 1 ATOM 1177 H HE1 . PHE A 1 89 ? -36.878 9.339 2.712 1.00 29.58 ? 101 PHE A HE1 1 ATOM 1178 H HE2 . PHE A 1 89 ? -34.225 6.945 4.525 1.00 29.64 ? 101 PHE A HE2 1 ATOM 1179 H HZ . PHE A 1 89 ? -34.737 8.966 3.586 1.00 29.66 ? 101 PHE A HZ 1 ATOM 1180 N N . MET A 1 90 ? -39.535 5.293 1.107 1.00 24.32 ? 102 MET A N 1 ATOM 1181 C CA . MET A 1 90 ? -39.907 5.953 -0.131 1.00 23.68 ? 102 MET A CA 1 ATOM 1182 C C . MET A 1 90 ? -40.642 7.252 0.191 1.00 23.51 ? 102 MET A C 1 ATOM 1183 O O . MET A 1 90 ? -41.394 7.321 1.168 1.00 23.86 ? 102 MET A O 1 ATOM 1184 C CB . MET A 1 90 ? -40.809 5.038 -0.976 1.00 24.78 ? 102 MET A CB 1 ATOM 1185 C CG . MET A 1 90 ? -41.369 5.695 -2.269 1.00 26.80 ? 102 MET A CG 1 ATOM 1186 S SD . MET A 1 90 ? -42.447 4.547 -3.189 1.00 32.63 ? 102 MET A SD 1 ATOM 1187 C CE . MET A 1 90 ? -41.357 3.259 -3.607 1.00 35.21 ? 102 MET A CE 1 ATOM 1188 H H . MET A 1 90 ? -40.152 5.330 1.704 1.00 29.19 ? 102 MET A H 1 ATOM 1189 H HA . MET A 1 90 ? -39.108 6.153 -0.642 1.00 28.42 ? 102 MET A HA 1 ATOM 1190 H HB2 . MET A 1 90 ? -40.296 4.258 -1.241 1.00 29.74 ? 102 MET A HB2 1 ATOM 1191 H HB3 . MET A 1 90 ? -41.565 4.762 -0.435 1.00 29.74 ? 102 MET A HB3 1 ATOM 1192 H HG2 . MET A 1 90 ? -41.891 6.477 -2.031 1.00 32.16 ? 102 MET A HG2 1 ATOM 1193 H HG3 . MET A 1 90 ? -40.631 5.947 -2.846 1.00 32.16 ? 102 MET A HG3 1 ATOM 1194 H HE1 . MET A 1 90 ? -41.843 2.585 -4.107 1.00 42.26 ? 102 MET A HE1 1 ATOM 1195 H HE2 . MET A 1 90 ? -40.637 3.618 -4.148 1.00 42.26 ? 102 MET A HE2 1 ATOM 1196 H HE3 . MET A 1 90 ? -40.998 2.872 -2.793 1.00 42.26 ? 102 MET A HE3 1 ATOM 1197 N N . ILE A 1 91 ? -40.379 8.295 -0.599 1.00 22.68 ? 103 ILE A N 1 ATOM 1198 C CA . ILE A 1 91 ? -41.148 9.535 -0.544 1.00 21.43 ? 103 ILE A CA 1 ATOM 1199 C C . ILE A 1 91 ? -41.999 9.648 -1.802 1.00 22.26 ? 103 ILE A C 1 ATOM 1200 O O . ILE A 1 91 ? -41.597 9.222 -2.895 1.00 22.26 ? 103 ILE A O 1 ATOM 1201 C CB . ILE A 1 91 ? -40.264 10.784 -0.319 1.00 23.09 ? 103 ILE A CB 1 ATOM 1202 C CG1 . ILE A 1 91 ? -39.295 10.977 -1.471 1.00 24.02 ? 103 ILE A CG1 1 ATOM 1203 C CG2 . ILE A 1 91 ? -39.567 10.648 1.030 1.00 23.93 ? 103 ILE A CG2 1 ATOM 1204 C CD1 . ILE A 1 91 ? -38.606 12.315 -1.473 1.00 24.26 ? 103 ILE A CD1 1 ATOM 1205 H H . ILE A 1 91 ? -39.749 8.307 -1.184 1.00 27.21 ? 103 ILE A H 1 ATOM 1206 H HA . ILE A 1 91 ? -41.758 9.479 0.208 1.00 25.71 ? 103 ILE A HA 1 ATOM 1207 H HB . ILE A 1 91 ? -40.844 11.561 -0.280 1.00 27.70 ? 103 ILE A HB 1 ATOM 1208 H HG12 . ILE A 1 91 ? -38.610 10.292 -1.422 1.00 28.83 ? 103 ILE A HG12 1 ATOM 1209 H HG13 . ILE A 1 91 ? -39.782 10.894 -2.306 1.00 28.83 ? 103 ILE A HG13 1 ATOM 1210 H HG21 . ILE A 1 91 ? -39.010 11.428 1.177 1.00 28.72 ? 103 ILE A HG21 1 ATOM 1211 H HG22 . ILE A 1 91 ? -40.238 10.583 1.727 1.00 28.72 ? 103 ILE A HG22 1 ATOM 1212 H HG23 . ILE A 1 91 ? -39.019 9.847 1.022 1.00 28.72 ? 103 ILE A HG23 1 ATOM 1213 H HD11 . ILE A 1 91 ? -38.007 12.360 -2.235 1.00 29.11 ? 103 ILE A HD11 1 ATOM 1214 H HD12 . ILE A 1 91 ? -39.275 13.014 -1.535 1.00 29.11 ? 103 ILE A HD12 1 ATOM 1215 H HD13 . ILE A 1 91 ? -38.101 12.411 -0.650 1.00 29.11 ? 103 ILE A HD13 1 ATOM 1216 N N . TRP A 1 92 ? -43.191 10.205 -1.646 1.00 21.44 ? 104 TRP A N 1 ATOM 1217 C CA . TRP A 1 92 ? -44.170 10.194 -2.721 1.00 21.27 ? 104 TRP A CA 1 ATOM 1218 C C . TRP A 1 92 ? -44.848 11.555 -2.718 1.00 22.34 ? 104 TRP A C 1 ATOM 1219 O O . TRP A 1 92 ? -45.696 11.807 -1.868 1.00 22.99 ? 104 TRP A O 1 ATOM 1220 C CB . TRP A 1 92 ? -45.151 9.062 -2.460 1.00 22.44 ? 104 TRP A CB 1 ATOM 1221 C CG . TRP A 1 92 ? -46.344 9.070 -3.337 1.00 22.41 ? 104 TRP A CG 1 ATOM 1222 C CD1 . TRP A 1 92 ? -46.470 9.648 -4.580 1.00 22.18 ? 104 TRP A CD1 1 ATOM 1223 C CD2 . TRP A 1 92 ? -47.616 8.481 -3.040 1.00 22.81 ? 104 TRP A CD2 1 ATOM 1224 N NE1 . TRP A 1 92 ? -47.743 9.453 -5.056 1.00 23.13 ? 104 TRP A NE1 1 ATOM 1225 C CE2 . TRP A 1 92 ? -48.461 8.744 -4.129 1.00 23.07 ? 104 TRP A CE2 1 ATOM 1226 C CE3 . TRP A 1 92 ? -48.128 7.780 -1.944 1.00 23.58 ? 104 TRP A CE3 1 ATOM 1227 C CZ2 . TRP A 1 92 ? -49.782 8.315 -4.169 1.00 22.56 ? 104 TRP A CZ2 1 ATOM 1228 C CZ3 . TRP A 1 92 ? -49.448 7.353 -1.970 1.00 25.05 ? 104 TRP A CZ3 1 ATOM 1229 C CH2 . TRP A 1 92 ? -50.267 7.630 -3.081 1.00 24.26 ? 104 TRP A CH2 1 ATOM 1230 H H . TRP A 1 92 ? -43.458 10.596 -0.927 1.00 25.73 ? 104 TRP A H 1 ATOM 1231 H HA . TRP A 1 92 ? -43.733 10.053 -3.575 1.00 25.52 ? 104 TRP A HA 1 ATOM 1232 H HB2 . TRP A 1 92 ? -44.693 8.218 -2.594 1.00 26.93 ? 104 TRP A HB2 1 ATOM 1233 H HB3 . TRP A 1 92 ? -45.460 9.124 -1.543 1.00 26.93 ? 104 TRP A HB3 1 ATOM 1234 H HD1 . TRP A 1 92 ? -45.794 10.100 -5.031 1.00 26.62 ? 104 TRP A HD1 1 ATOM 1235 H HE1 . TRP A 1 92 ? -48.038 9.724 -5.817 1.00 27.76 ? 104 TRP A HE1 1 ATOM 1236 H HE3 . TRP A 1 92 ? -47.591 7.605 -1.205 1.00 28.30 ? 104 TRP A HE3 1 ATOM 1237 H HZ2 . TRP A 1 92 ? -50.324 8.497 -4.902 1.00 27.08 ? 104 TRP A HZ2 1 ATOM 1238 H HZ3 . TRP A 1 92 ? -49.794 6.879 -1.249 1.00 30.05 ? 104 TRP A HZ3 1 ATOM 1239 H HH2 . TRP A 1 92 ? -51.146 7.325 -3.087 1.00 29.11 ? 104 TRP A HH2 1 ATOM 1240 N N . THR A 1 93 ? -44.482 12.429 -3.666 1.00 21.68 ? 105 THR A N 1 ATOM 1241 C CA . THR A 1 93 ? -44.837 13.845 -3.520 1.00 21.95 ? 105 THR A CA 1 ATOM 1242 C C . THR A 1 93 ? -46.065 14.297 -4.298 1.00 22.63 ? 105 THR A C 1 ATOM 1243 O O . THR A 1 93 ? -46.090 15.426 -4.793 1.00 23.75 ? 105 THR A O 1 ATOM 1244 C CB . THR A 1 93 ? -43.644 14.768 -3.757 1.00 22.27 ? 105 THR A CB 1 ATOM 1245 O OG1 . THR A 1 93 ? -42.947 14.394 -4.928 1.00 21.56 ? 105 THR A OG1 1 ATOM 1246 C CG2 . THR A 1 93 ? -42.650 14.645 -2.616 1.00 23.52 ? 105 THR A CG2 1 ATOM 1247 H H . THR A 1 93 ? -44.042 12.235 -4.380 1.00 26.02 ? 105 THR A H 1 ATOM 1248 H HA . THR A 1 93 ? -45.071 13.968 -2.587 1.00 26.34 ? 105 THR A HA 1 ATOM 1249 H HB . THR A 1 93 ? -43.940 15.689 -3.823 1.00 26.73 ? 105 THR A HB 1 ATOM 1250 H HG1 . THR A 1 93 ? -42.665 13.606 -4.855 1.00 25.87 ? 105 THR A HG1 1 ATOM 1251 H HG21 . THR A 1 93 ? -41.893 15.232 -2.770 1.00 28.22 ? 105 THR A HG21 1 ATOM 1252 H HG22 . THR A 1 93 ? -43.074 14.890 -1.779 1.00 28.22 ? 105 THR A HG22 1 ATOM 1253 H HG23 . THR A 1 93 ? -42.331 13.731 -2.551 1.00 28.22 ? 105 THR A HG23 1 ATOM 1254 N N . GLY A 1 94 ? -47.095 13.461 -4.400 1.00 22.49 ? 106 GLY A N 1 ATOM 1255 C CA . GLY A 1 94 ? -48.436 13.923 -4.724 1.00 23.52 ? 106 GLY A CA 1 ATOM 1256 C C . GLY A 1 94 ? -48.827 13.889 -6.193 1.00 23.22 ? 106 GLY A C 1 ATOM 1257 O O . GLY A 1 94 ? -48.078 13.474 -7.091 1.00 23.45 ? 106 GLY A O 1 ATOM 1258 H H . GLY A 1 94 ? -47.039 12.611 -4.285 1.00 26.99 ? 106 GLY A H 1 ATOM 1259 H HA2 . GLY A 1 94 ? -49.075 13.379 -4.237 1.00 28.22 ? 106 GLY A HA2 1 ATOM 1260 H HA3 . GLY A 1 94 ? -48.530 14.837 -4.415 1.00 28.22 ? 106 GLY A HA3 1 ATOM 1261 N N . ASP A 1 95 ? -50.074 14.329 -6.419 1.00 22.37 ? 107 ASP A N 1 ATOM 1262 C CA . ASP A 1 95 ? -50.702 14.498 -7.737 1.00 22.55 ? 107 ASP A CA 1 ATOM 1263 C C . ASP A 1 95 ? -51.128 13.186 -8.370 1.00 22.80 ? 107 ASP A C 1 ATOM 1264 O O . ASP A 1 95 ? -50.583 12.754 -9.401 1.00 23.73 ? 107 ASP A O 1 ATOM 1265 C CB . ASP A 1 95 ? -49.854 15.334 -8.685 1.00 22.60 ? 107 ASP A CB 1 ATOM 1266 C CG . ASP A 1 95 ? -50.323 16.790 -8.780 1.00 23.40 ? 107 ASP A CG 1 ATOM 1267 O OD1 . ASP A 1 95 ? -51.134 17.216 -7.955 1.00 23.76 ? 107 ASP A OD1 1 ATOM 1268 O OD2 . ASP A 1 95 ? -49.840 17.543 -9.673 1.00 24.26 ? 107 ASP A OD2 1 ATOM 1269 H H . ASP A 1 95 ? -50.605 14.548 -5.779 1.00 26.84 ? 107 ASP A H 1 ATOM 1270 H HA . ASP A 1 95 ? -51.519 15.003 -7.596 1.00 27.06 ? 107 ASP A HA 1 ATOM 1271 H HB2 . ASP A 1 95 ? -48.936 15.335 -8.369 1.00 27.12 ? 107 ASP A HB2 1 ATOM 1272 H HB3 . ASP A 1 95 ? -49.898 14.946 -9.573 1.00 27.12 ? 107 ASP A HB3 1 ATOM 1273 N N . SER A 1 96 ? -52.158 12.595 -7.800 1.00 21.86 ? 108 SER A N 1 ATOM 1274 C CA . SER A 1 96 ? -52.613 11.291 -8.246 1.00 23.35 ? 108 SER A CA 1 ATOM 1275 C C . SER A 1 96 ? -53.757 11.303 -9.258 1.00 24.30 ? 108 SER A C 1 ATOM 1276 O O . SER A 1 96 ? -53.733 10.492 -10.181 1.00 24.88 ? 108 SER A O 1 ATOM 1277 C CB . SER A 1 96 ? -52.909 10.392 -7.050 1.00 24.32 ? 108 SER A CB 1 ATOM 1278 O OG . SER A 1 96 ? -51.698 10.083 -6.365 1.00 25.51 ? 108 SER A OG 1 ATOM 1279 H H . SER A 1 96 ? -52.614 12.927 -7.150 1.00 26.23 ? 108 SER A H 1 ATOM 1280 H HA . SER A 1 96 ? -51.865 10.879 -8.705 1.00 28.02 ? 108 SER A HA 1 ATOM 1281 H HB2 . SER A 1 96 ? -53.509 10.855 -6.444 1.00 29.19 ? 108 SER A HB2 1 ATOM 1282 H HB3 . SER A 1 96 ? -53.318 9.570 -7.362 1.00 29.19 ? 108 SER A HB3 1 ATOM 1283 H HG . SER A 1 96 ? -51.333 10.789 -6.093 1.00 30.61 ? 108 SER A HG 1 ATOM 1284 N N . PRO A 1 97 ? -54.771 12.152 -9.142 1.00 25.07 ? 109 PRO A N 1 ATOM 1285 C CA . PRO A 1 97 ? -55.839 12.163 -10.159 1.00 24.88 ? 109 PRO A CA 1 ATOM 1286 C C . PRO A 1 97 ? -55.370 12.795 -11.461 1.00 25.27 ? 109 PRO A C 1 ATOM 1287 O O . PRO A 1 97 ? -54.374 13.523 -11.495 1.00 25.43 ? 109 PRO A O 1 ATOM 1288 C CB . PRO A 1 97 ? -56.930 13.017 -9.498 1.00 25.90 ? 109 PRO A CB 1 ATOM 1289 C CG . PRO A 1 97 ? -56.600 13.038 -8.053 1.00 25.10 ? 109 PRO A CG 1 ATOM 1290 C CD . PRO A 1 97 ? -55.114 13.013 -8.000 1.00 25.03 ? 109 PRO A CD 1 ATOM 1291 H HA . PRO A 1 97 ? -56.173 11.267 -10.323 1.00 29.85 ? 109 PRO A HA 1 ATOM 1292 H HB2 . PRO A 1 97 ? -56.908 13.914 -9.866 1.00 31.07 ? 109 PRO A HB2 1 ATOM 1293 H HB3 . PRO A 1 97 ? -57.797 12.608 -9.645 1.00 31.07 ? 109 PRO A HB3 1 ATOM 1294 H HG2 . PRO A 1 97 ? -56.944 13.850 -7.650 1.00 30.12 ? 109 PRO A HG2 1 ATOM 1295 H HG3 . PRO A 1 97 ? -56.972 12.253 -7.621 1.00 30.12 ? 109 PRO A HG3 1 ATOM 1296 H HD2 . PRO A 1 97 ? -54.753 13.905 -8.124 1.00 30.03 ? 109 PRO A HD2 1 ATOM 1297 H HD3 . PRO A 1 97 ? -54.809 12.615 -7.169 1.00 30.03 ? 109 PRO A HD3 1 ATOM 1298 N N . PRO A 1 98 ? -56.078 12.548 -12.558 1.00 25.83 ? 110 PRO A N 1 ATOM 1299 C CA . PRO A 1 98 ? -55.650 13.036 -13.876 1.00 26.05 ? 110 PRO A CA 1 ATOM 1300 C C . PRO A 1 98 ? -56.095 14.467 -14.142 1.00 25.21 ? 110 PRO A C 1 ATOM 1301 O O . PRO A 1 98 ? -56.929 15.037 -13.439 1.00 24.55 ? 110 PRO A O 1 ATOM 1302 C CB . PRO A 1 98 ? -56.357 12.074 -14.830 1.00 26.75 ? 110 PRO A CB 1 ATOM 1303 C CG . PRO A 1 98 ? -57.652 11.763 -14.074 1.00 27.91 ? 110 PRO A CG 1 ATOM 1304 C CD . PRO A 1 98 ? -57.308 11.761 -12.615 1.00 27.35 ? 110 PRO A CD 1 ATOM 1305 H HA . PRO A 1 98 ? -54.689 12.960 -13.981 1.00 31.25 ? 110 PRO A HA 1 ATOM 1306 H HB2 . PRO A 1 98 ? -56.540 12.514 -15.675 1.00 32.10 ? 110 PRO A HB2 1 ATOM 1307 H HB3 . PRO A 1 98 ? -55.823 11.274 -14.956 1.00 32.10 ? 110 PRO A HB3 1 ATOM 1308 H HG2 . PRO A 1 98 ? -58.310 12.450 -14.266 1.00 33.49 ? 110 PRO A HG2 1 ATOM 1309 H HG3 . PRO A 1 98 ? -57.982 10.892 -14.345 1.00 33.49 ? 110 PRO A HG3 1 ATOM 1310 H HD2 . PRO A 1 98 ? -58.009 12.191 -12.102 1.00 32.81 ? 110 PRO A HD2 1 ATOM 1311 H HD3 . PRO A 1 98 ? -57.145 10.856 -12.307 1.00 32.81 ? 110 PRO A HD3 1 ATOM 1312 N N . HIS A 1 99 ? -55.516 15.034 -15.206 1.00 25.83 ? 111 HIS A N 1 ATOM 1313 C CA . HIS A 1 99 ? -55.837 16.379 -15.683 1.00 26.30 ? 111 HIS A CA 1 ATOM 1314 C C . HIS A 1 99 ? -57.084 16.256 -16.537 1.00 27.30 ? 111 HIS A C 1 ATOM 1315 O O . HIS A 1 99 ? -57.030 16.137 -17.768 1.00 28.14 ? 111 HIS A O 1 ATOM 1316 C CB . HIS A 1 99 ? -54.687 16.959 -16.497 1.00 26.60 ? 111 HIS A CB 1 ATOM 1317 C CG . HIS A 1 99 ? -53.404 17.102 -15.740 1.00 27.08 ? 111 HIS A CG 1 ATOM 1318 N ND1 . HIS A 1 99 ? -52.543 16.041 -15.563 1.00 27.01 ? 111 HIS A ND1 1 ATOM 1319 C CD2 . HIS A 1 99 ? -52.855 18.145 -15.064 1.00 27.01 ? 111 HIS A CD2 1 ATOM 1320 C CE1 . HIS A 1 99 ? -51.495 16.436 -14.864 1.00 26.93 ? 111 HIS A CE1 1 ATOM 1321 N NE2 . HIS A 1 99 ? -51.666 17.704 -14.540 1.00 26.63 ? 111 HIS A NE2 1 ATOM 1322 H H . HIS A 1 99 ? -54.915 14.643 -15.681 1.00 31.00 ? 111 HIS A H 1 ATOM 1323 H HA . HIS A 1 99 ? -56.023 16.964 -14.932 1.00 31.56 ? 111 HIS A HA 1 ATOM 1324 H HB2 . HIS A 1 99 ? -54.519 16.378 -17.255 1.00 31.92 ? 111 HIS A HB2 1 ATOM 1325 H HB3 . HIS A 1 99 ? -54.943 17.841 -16.811 1.00 31.92 ? 111 HIS A HB3 1 ATOM 1326 H HD1 . HIS A 1 99 ? -52.651 15.254 -15.893 1.00 32.41 ? 111 HIS A HD1 1 ATOM 1327 H HD2 . HIS A 1 99 ? -53.205 19.004 -14.994 1.00 32.42 ? 111 HIS A HD2 1 ATOM 1328 H HE1 . HIS A 1 99 ? -50.774 15.903 -14.616 1.00 32.31 ? 111 HIS A HE1 1 ATOM 1329 H HE2 . HIS A 1 99 ? -51.120 18.178 -14.075 1.00 31.96 ? 111 HIS A HE2 1 ATOM 1330 N N . VAL A 1 100 ? -58.227 16.272 -15.861 1.00 26.92 ? 112 VAL A N 1 ATOM 1331 C CA . VAL A 1 100 ? -59.509 16.462 -16.540 1.00 28.45 ? 112 VAL A CA 1 ATOM 1332 C C . VAL A 1 100 ? -60.217 17.637 -15.879 1.00 28.72 ? 112 VAL A C 1 ATOM 1333 O O . VAL A 1 100 ? -59.851 18.050 -14.769 1.00 28.74 ? 112 VAL A O 1 ATOM 1334 C CB . VAL A 1 100 ? -60.382 15.190 -16.493 1.00 30.37 ? 112 VAL A CB 1 ATOM 1335 C CG1 . VAL A 1 100 ? -59.704 14.007 -17.243 1.00 31.19 ? 112 VAL A CG1 1 ATOM 1336 C CG2 . VAL A 1 100 ? -60.706 14.840 -15.059 1.00 30.97 ? 112 VAL A CG2 1 ATOM 1337 H H . VAL A 1 100 ? -58.291 16.175 -15.009 1.00 32.31 ? 112 VAL A H 1 ATOM 1338 H HA . VAL A 1 100 ? -59.349 16.687 -17.470 1.00 34.13 ? 112 VAL A HA 1 ATOM 1339 H HB . VAL A 1 100 ? -61.221 15.377 -16.943 1.00 36.44 ? 112 VAL A HB 1 ATOM 1340 H HG11 . VAL A 1 100 ? -60.281 13.229 -17.192 1.00 37.42 ? 112 VAL A HG11 1 ATOM 1341 H HG12 . VAL A 1 100 ? -59.568 14.258 -18.170 1.00 37.42 ? 112 VAL A HG12 1 ATOM 1342 H HG13 . VAL A 1 100 ? -58.851 13.815 -16.824 1.00 37.42 ? 112 VAL A HG13 1 ATOM 1343 H HG21 . VAL A 1 100 ? -61.254 14.040 -15.046 1.00 37.17 ? 112 VAL A HG21 1 ATOM 1344 H HG22 . VAL A 1 100 ? -59.878 14.683 -14.579 1.00 37.17 ? 112 VAL A HG22 1 ATOM 1345 H HG23 . VAL A 1 100 ? -61.188 15.578 -14.655 1.00 37.17 ? 112 VAL A HG23 1 ATOM 1346 N N . PRO A 1 101 ? -61.228 18.209 -16.546 1.00 31.98 ? 113 PRO A N 1 ATOM 1347 C CA . PRO A 1 101 ? -61.904 19.379 -15.987 1.00 33.83 ? 113 PRO A CA 1 ATOM 1348 C C . PRO A 1 101 ? -62.573 19.074 -14.659 1.00 33.09 ? 113 PRO A C 1 ATOM 1349 O O . PRO A 1 101 ? -62.968 17.945 -14.373 1.00 32.66 ? 113 PRO A O 1 ATOM 1350 C CB . PRO A 1 101 ? -62.938 19.730 -17.058 1.00 35.82 ? 113 PRO A CB 1 ATOM 1351 C CG . PRO A 1 101 ? -62.340 19.203 -18.306 1.00 34.81 ? 113 PRO A CG 1 ATOM 1352 C CD . PRO A 1 101 ? -61.680 17.933 -17.923 1.00 33.99 ? 113 PRO A CD 1 ATOM 1353 H HA . PRO A 1 101 ? -61.282 20.116 -15.879 1.00 40.59 ? 113 PRO A HA 1 ATOM 1354 H HB2 . PRO A 1 101 ? -63.780 19.290 -16.863 1.00 42.99 ? 113 PRO A HB2 1 ATOM 1355 H HB3 . PRO A 1 101 ? -63.051 20.693 -17.106 1.00 42.99 ? 113 PRO A HB3 1 ATOM 1356 H HG2 . PRO A 1 101 ? -63.038 19.041 -18.959 1.00 41.78 ? 113 PRO A HG2 1 ATOM 1357 H HG3 . PRO A 1 101 ? -61.690 19.836 -18.649 1.00 41.78 ? 113 PRO A HG3 1 ATOM 1358 H HD2 . PRO A 1 101 ? -62.317 17.202 -17.932 1.00 40.79 ? 113 PRO A HD2 1 ATOM 1359 H HD3 . PRO A 1 101 ? -60.921 17.756 -18.501 1.00 40.79 ? 113 PRO A HD3 1 ATOM 1360 N N . VAL A 1 102 ? -62.691 20.123 -13.848 1.00 33.21 ? 114 VAL A N 1 ATOM 1361 C CA . VAL A 1 102 ? -63.291 19.994 -12.519 1.00 33.36 ? 114 VAL A CA 1 ATOM 1362 C C . VAL A 1 102 ? -64.599 19.210 -12.519 1.00 33.47 ? 114 VAL A C 1 ATOM 1363 O O . VAL A 1 102 ? -64.756 18.317 -11.675 1.00 32.77 ? 114 VAL A O 1 ATOM 1364 C CB . VAL A 1 102 ? -63.401 21.377 -11.857 1.00 33.74 ? 114 VAL A CB 1 ATOM 1365 C CG1 . VAL A 1 102 ? -64.319 21.366 -10.657 1.00 32.69 ? 114 VAL A CG1 1 ATOM 1366 C CG2 . VAL A 1 102 ? -62.010 21.856 -11.469 1.00 36.17 ? 114 VAL A CG2 1 ATOM 1367 H H . VAL A 1 102 ? -62.432 20.919 -14.042 1.00 39.85 ? 114 VAL A H 1 ATOM 1368 H HA . VAL A 1 102 ? -62.673 19.483 -11.975 1.00 40.03 ? 114 VAL A HA 1 ATOM 1369 H HB . VAL A 1 102 ? -63.763 22.006 -12.502 1.00 40.49 ? 114 VAL A HB 1 ATOM 1370 H HG11 . VAL A 1 102 ? -64.353 22.258 -10.278 1.00 39.23 ? 114 VAL A HG11 1 ATOM 1371 H HG12 . VAL A 1 102 ? -65.205 21.092 -10.941 1.00 39.23 ? 114 VAL A HG12 1 ATOM 1372 H HG13 . VAL A 1 102 ? -63.973 20.740 -10.002 1.00 39.23 ? 114 VAL A HG13 1 ATOM 1373 H HG21 . VAL A 1 102 ? -62.082 22.728 -11.052 1.00 43.40 ? 114 VAL A HG21 1 ATOM 1374 H HG22 . VAL A 1 102 ? -61.621 21.222 -10.847 1.00 43.40 ? 114 VAL A HG22 1 ATOM 1375 H HG23 . VAL A 1 102 ? -61.463 21.915 -12.268 1.00 43.40 ? 114 VAL A HG23 1 ATOM 1376 N N . PRO A 1 103 ? -65.566 19.487 -13.401 1.00 34.83 ? 115 PRO A N 1 ATOM 1377 C CA . PRO A 1 103 ? -66.847 18.774 -13.336 1.00 34.29 ? 115 PRO A CA 1 ATOM 1378 C C . PRO A 1 103 ? -66.756 17.300 -13.677 1.00 33.95 ? 115 PRO A C 1 ATOM 1379 O O . PRO A 1 103 ? -67.736 16.579 -13.456 1.00 34.14 ? 115 PRO A O 1 ATOM 1380 C CB . PRO A 1 103 ? -67.723 19.518 -14.352 1.00 35.33 ? 115 PRO A CB 1 ATOM 1381 C CG . PRO A 1 103 ? -67.045 20.815 -14.578 1.00 36.29 ? 115 PRO A CG 1 ATOM 1382 C CD . PRO A 1 103 ? -65.598 20.590 -14.368 1.00 35.08 ? 115 PRO A CD 1 ATOM 1383 H HA . PRO A 1 103 ? -67.236 18.871 -12.453 1.00 41.15 ? 115 PRO A HA 1 ATOM 1384 H HB2 . PRO A 1 103 ? -67.771 19.008 -15.176 1.00 42.39 ? 115 PRO A HB2 1 ATOM 1385 H HB3 . PRO A 1 103 ? -68.608 19.655 -13.981 1.00 42.39 ? 115 PRO A HB3 1 ATOM 1386 H HG2 . PRO A 1 103 ? -67.211 21.110 -15.487 1.00 43.55 ? 115 PRO A HG2 1 ATOM 1387 H HG3 . PRO A 1 103 ? -67.380 21.468 -13.944 1.00 43.55 ? 115 PRO A HG3 1 ATOM 1388 H HD2 . PRO A 1 103 ? -65.172 20.325 -15.198 1.00 42.10 ? 115 PRO A HD2 1 ATOM 1389 H HD3 . PRO A 1 103 ? -65.183 21.382 -13.991 1.00 42.10 ? 115 PRO A HD3 1 ATOM 1390 N N . GLU A 1 104 ? -65.632 16.829 -14.200 1.00 32.19 ? 116 GLU A N 1 ATOM 1391 C CA . GLU A 1 104 ? -65.465 15.411 -14.476 1.00 33.65 ? 116 GLU A CA 1 ATOM 1392 C C . GLU A 1 104 ? -64.882 14.653 -13.292 1.00 33.07 ? 116 GLU A C 1 ATOM 1393 O O . GLU A 1 104 ? -64.636 13.447 -13.396 1.00 34.46 ? 116 GLU A O 1 ATOM 1394 C CB . GLU A 1 104 ? -64.593 15.223 -15.710 1.00 35.95 ? 116 GLU A CB 1 ATOM 1395 C CG . GLU A 1 104 ? -65.232 15.745 -16.984 1.00 40.41 ? 116 GLU A CG 1 ATOM 1396 C CD . GLU A 1 104 ? -64.363 15.550 -18.208 1.00 46.11 ? 116 GLU A CD 1 ATOM 1397 O OE1 . GLU A 1 104 ? -63.671 14.504 -18.321 1.00 48.16 ? 116 GLU A OE1 1 ATOM 1398 O OE2 . GLU A 1 104 ? -64.377 16.463 -19.065 1.00 48.39 ? 116 GLU A OE2 1 ATOM 1399 H H . GLU A 1 104 ? -64.949 17.311 -14.405 1.00 38.63 ? 116 GLU A H 1 ATOM 1400 H HA . GLU A 1 104 ? -66.335 15.029 -14.670 1.00 40.38 ? 116 GLU A HA 1 ATOM 1401 H HB2 . GLU A 1 104 ? -63.757 15.699 -15.579 1.00 43.15 ? 116 GLU A HB2 1 ATOM 1402 H HB3 . GLU A 1 104 ? -64.418 14.276 -15.830 1.00 43.15 ? 116 GLU A HB3 1 ATOM 1403 H HG2 . GLU A 1 104 ? -66.068 15.275 -17.133 1.00 48.50 ? 116 GLU A HG2 1 ATOM 1404 H HG3 . GLU A 1 104 ? -65.401 16.695 -16.886 1.00 48.50 ? 116 GLU A HG3 1 ATOM 1405 N N . LEU A 1 105 ? -64.670 15.328 -12.174 1.00 32.80 ? 117 LEU A N 1 ATOM 1406 C CA . LEU A 1 105 ? -64.180 14.721 -10.958 1.00 31.32 ? 117 LEU A CA 1 ATOM 1407 C C . LEU A 1 105 ? -65.148 15.087 -9.844 1.00 31.01 ? 117 LEU A C 1 ATOM 1408 O O . LEU A 1 105 ? -66.172 15.757 -10.065 1.00 32.52 ? 117 LEU A O 1 ATOM 1409 C CB . LEU A 1 105 ? -62.753 15.197 -10.641 1.00 32.05 ? 117 LEU A CB 1 ATOM 1410 C CG . LEU A 1 105 ? -61.746 14.774 -11.695 1.00 33.49 ? 117 LEU A CG 1 ATOM 1411 C CD1 . LEU A 1 105 ? -60.448 15.494 -11.508 1.00 34.74 ? 117 LEU A CD1 1 ATOM 1412 C CD2 . LEU A 1 105 ? -61.555 13.295 -11.591 1.00 34.36 ? 117 LEU A CD2 1 ATOM 1413 H H . LEU A 1 105 ? -64.809 16.174 -12.097 1.00 39.36 ? 117 LEU A H 1 ATOM 1414 H HA . LEU A 1 105 ? -64.170 13.756 -11.056 1.00 37.58 ? 117 LEU A HA 1 ATOM 1415 H HB2 . LEU A 1 105 ? -62.747 16.166 -10.591 1.00 38.46 ? 117 LEU A HB2 1 ATOM 1416 H HB3 . LEU A 1 105 ? -62.475 14.820 -9.791 1.00 38.46 ? 117 LEU A HB3 1 ATOM 1417 H HG . LEU A 1 105 ? -62.092 14.980 -12.578 1.00 40.19 ? 117 LEU A HG 1 ATOM 1418 H HD11 . LEU A 1 105 ? -59.826 15.205 -12.193 1.00 41.68 ? 117 LEU A HD11 1 ATOM 1419 H HD12 . LEU A 1 105 ? -60.604 16.449 -11.583 1.00 41.68 ? 117 LEU A HD12 1 ATOM 1420 H HD13 . LEU A 1 105 ? -60.095 15.284 -10.629 1.00 41.68 ? 117 LEU A HD13 1 ATOM 1421 H HD21 . LEU A 1 105 ? -60.912 13.012 -12.261 1.00 41.23 ? 117 LEU A HD21 1 ATOM 1422 H HD22 . LEU A 1 105 ? -61.224 13.081 -10.704 1.00 41.23 ? 117 LEU A HD22 1 ATOM 1423 H HD23 . LEU A 1 105 ? -62.406 12.855 -11.742 1.00 41.23 ? 117 LEU A HD23 1 ATOM 1424 N N . SER A 1 106 ? -64.809 14.637 -8.644 1.00 30.18 ? 118 SER A N 1 ATOM 1425 C CA . SER A 1 106 ? -65.560 14.924 -7.430 1.00 30.24 ? 118 SER A CA 1 ATOM 1426 C C . SER A 1 106 ? -64.652 14.599 -6.260 1.00 28.87 ? 118 SER A C 1 ATOM 1427 O O . SER A 1 106 ? -63.601 13.970 -6.424 1.00 29.25 ? 118 SER A O 1 ATOM 1428 C CB . SER A 1 106 ? -66.810 14.060 -7.339 1.00 32.34 ? 118 SER A CB 1 ATOM 1429 O OG . SER A 1 106 ? -66.446 12.695 -7.222 1.00 32.45 ? 118 SER A OG 1 ATOM 1430 H H . SER A 1 106 ? -64.119 14.144 -8.503 1.00 36.22 ? 118 SER A H 1 ATOM 1431 H HA . SER A 1 106 ? -65.809 15.861 -7.396 1.00 36.29 ? 118 SER A HA 1 ATOM 1432 H HB2 . SER A 1 106 ? -67.323 14.322 -6.558 1.00 38.81 ? 118 SER A HB2 1 ATOM 1433 H HB3 . SER A 1 106 ? -67.340 14.181 -8.143 1.00 38.81 ? 118 SER A HB3 1 ATOM 1434 H HG . SER A 1 106 ? -67.135 12.217 -7.172 1.00 38.94 ? 118 SER A HG 1 ATOM 1435 N N . THR A 1 107 ? -65.069 15.029 -5.061 1.00 29.01 ? 119 THR A N 1 ATOM 1436 C CA . THR A 1 107 ? -64.344 14.643 -3.840 1.00 30.37 ? 119 THR A CA 1 ATOM 1437 C C . THR A 1 107 ? -64.179 13.128 -3.752 1.00 29.59 ? 119 THR A C 1 ATOM 1438 O O . THR A 1 107 ? -63.082 12.618 -3.488 1.00 29.07 ? 119 THR A O 1 ATOM 1439 C CB . THR A 1 107 ? -65.055 15.217 -2.610 1.00 33.64 ? 119 THR A CB 1 ATOM 1440 O OG1 . THR A 1 107 ? -64.930 16.648 -2.644 1.00 35.16 ? 119 THR A OG1 1 ATOM 1441 C CG2 . THR A 1 107 ? -64.476 14.669 -1.291 1.00 34.54 ? 119 THR A CG2 1 ATOM 1442 H H . THR A 1 107 ? -65.753 15.534 -4.928 1.00 34.81 ? 119 THR A H 1 ATOM 1443 H HA . THR A 1 107 ? -63.456 15.032 -3.872 1.00 36.45 ? 119 THR A HA 1 ATOM 1444 H HB . THR A 1 107 ? -65.995 14.979 -2.648 1.00 40.36 ? 119 THR A HB 1 ATOM 1445 H HG1 . THR A 1 107 ? -64.119 16.866 -2.631 1.00 42.19 ? 119 THR A HG1 1 ATOM 1446 H HG21 . THR A 1 107 ? -64.950 15.054 -0.536 1.00 41.45 ? 119 THR A HG21 1 ATOM 1447 H HG22 . THR A 1 107 ? -64.569 13.704 -1.263 1.00 41.45 ? 119 THR A HG22 1 ATOM 1448 H HG23 . THR A 1 107 ? -63.536 14.898 -1.222 1.00 41.45 ? 119 THR A HG23 1 ATOM 1449 N N . GLY A 1 108 ? -65.260 12.388 -4.001 1.00 31.10 ? 120 GLY A N 1 ATOM 1450 C CA . GLY A 1 108 ? -65.197 10.940 -3.916 1.00 32.98 ? 120 GLY A CA 1 ATOM 1451 C C . GLY A 1 108 ? -64.286 10.335 -4.965 1.00 32.08 ? 120 GLY A C 1 ATOM 1452 O O . GLY A 1 108 ? -63.550 9.388 -4.685 1.00 32.52 ? 120 GLY A O 1 ATOM 1453 H H . GLY A 1 108 ? -66.031 12.701 -4.220 1.00 37.32 ? 120 GLY A H 1 ATOM 1454 H HA2 . GLY A 1 108 ? -64.869 10.682 -3.040 1.00 39.58 ? 120 GLY A HA2 1 ATOM 1455 H HA3 . GLY A 1 108 ? -66.086 10.570 -4.032 1.00 39.58 ? 120 GLY A HA3 1 ATOM 1456 N N . THR A 1 109 ? -64.306 10.889 -6.183 1.00 31.34 ? 121 THR A N 1 ATOM 1457 C CA . THR A 1 109 ? -63.449 10.377 -7.240 1.00 30.14 ? 121 THR A CA 1 ATOM 1458 C C . THR A 1 109 ? -61.982 10.627 -6.915 1.00 28.35 ? 121 THR A C 1 ATOM 1459 O O . THR A 1 109 ? -61.142 9.748 -7.125 1.00 27.90 ? 121 THR A O 1 ATOM 1460 C CB . THR A 1 109 ? -63.824 11.010 -8.593 1.00 32.19 ? 121 THR A CB 1 ATOM 1461 O OG1 . THR A 1 109 ? -65.226 10.863 -8.836 1.00 33.99 ? 121 THR A OG1 1 ATOM 1462 C CG2 . THR A 1 109 ? -63.080 10.344 -9.722 1.00 32.01 ? 121 THR A CG2 1 ATOM 1463 H H . THR A 1 109 ? -64.802 11.552 -6.414 1.00 37.61 ? 121 THR A H 1 ATOM 1464 H HA . THR A 1 109 ? -63.579 9.418 -7.313 1.00 36.16 ? 121 THR A HA 1 ATOM 1465 H HB . THR A 1 109 ? -63.593 11.952 -8.585 1.00 38.62 ? 121 THR A HB 1 ATOM 1466 H HG1 . THR A 1 109 ? -65.664 11.244 -8.228 1.00 40.79 ? 121 THR A HG1 1 ATOM 1467 H HG21 . THR A 1 109 ? -63.326 10.753 -10.567 1.00 38.41 ? 121 THR A HG21 1 ATOM 1468 H HG22 . THR A 1 109 ? -62.124 10.441 -9.592 1.00 38.41 ? 121 THR A HG22 1 ATOM 1469 H HG23 . THR A 1 109 ? -63.300 9.400 -9.752 1.00 38.41 ? 121 THR A HG23 1 ATOM 1470 N N . VAL A 1 110 ? -61.658 11.818 -6.405 1.00 28.13 ? 122 VAL A N 1 ATOM 1471 C CA . VAL A 1 110 ? -60.286 12.105 -5.993 1.00 27.46 ? 122 VAL A CA 1 ATOM 1472 C C . VAL A 1 110 ? -59.848 11.109 -4.928 1.00 28.08 ? 122 VAL A C 1 ATOM 1473 O O . VAL A 1 110 ? -58.752 10.548 -4.988 1.00 28.18 ? 122 VAL A O 1 ATOM 1474 C CB . VAL A 1 110 ? -60.181 13.554 -5.493 1.00 27.64 ? 122 VAL A CB 1 ATOM 1475 C CG1 . VAL A 1 110 ? -58.886 13.766 -4.676 1.00 28.14 ? 122 VAL A CG1 1 ATOM 1476 C CG2 . VAL A 1 110 ? -60.277 14.531 -6.666 1.00 29.54 ? 122 VAL A CG2 1 ATOM 1477 H H . VAL A 1 110 ? -62.208 12.469 -6.290 1.00 33.76 ? 122 VAL A H 1 ATOM 1478 H HA . VAL A 1 110 ? -59.698 12.007 -6.757 1.00 32.95 ? 122 VAL A HA 1 ATOM 1479 H HB . VAL A 1 110 ? -60.930 13.732 -4.903 1.00 33.17 ? 122 VAL A HB 1 ATOM 1480 H HG11 . VAL A 1 110 ? -58.850 14.687 -4.376 1.00 33.77 ? 122 VAL A HG11 1 ATOM 1481 H HG12 . VAL A 1 110 ? -58.894 13.169 -3.912 1.00 33.77 ? 122 VAL A HG12 1 ATOM 1482 H HG13 . VAL A 1 110 ? -58.122 13.571 -5.241 1.00 33.77 ? 122 VAL A HG13 1 ATOM 1483 H HG21 . VAL A 1 110 ? -60.208 15.437 -6.329 1.00 35.45 ? 122 VAL A HG21 1 ATOM 1484 H HG22 . VAL A 1 110 ? -59.551 14.352 -7.285 1.00 35.45 ? 122 VAL A HG22 1 ATOM 1485 H HG23 . VAL A 1 110 ? -61.130 14.407 -7.111 1.00 35.45 ? 122 VAL A HG23 1 ATOM 1486 N N . ILE A 1 111 ? -60.692 10.891 -3.919 1.00 27.88 ? 123 ILE A N 1 ATOM 1487 C CA . ILE A 1 111 ? -60.346 9.943 -2.870 1.00 28.67 ? 123 ILE A CA 1 ATOM 1488 C C . ILE A 1 111 ? -60.177 8.531 -3.436 1.00 28.58 ? 123 ILE A C 1 ATOM 1489 O O . ILE A 1 111 ? -59.276 7.785 -3.031 1.00 29.18 ? 123 ILE A O 1 ATOM 1490 C CB . ILE A 1 111 ? -61.384 10.005 -1.737 1.00 30.11 ? 123 ILE A CB 1 ATOM 1491 C CG1 . ILE A 1 111 ? -61.299 11.363 -1.039 1.00 30.20 ? 123 ILE A CG1 1 ATOM 1492 C CG2 . ILE A 1 111 ? -61.134 8.884 -0.734 1.00 31.61 ? 123 ILE A CG2 1 ATOM 1493 C CD1 . ILE A 1 111 ? -62.407 11.621 -0.032 1.00 32.09 ? 123 ILE A CD1 1 ATOM 1494 H H . ILE A 1 111 ? -61.456 11.273 -3.823 1.00 33.46 ? 123 ILE A H 1 ATOM 1495 H HA . ILE A 1 111 ? -59.492 10.205 -2.492 1.00 34.40 ? 123 ILE A HA 1 ATOM 1496 H HB . ILE A 1 111 ? -62.271 9.899 -2.115 1.00 36.13 ? 123 ILE A HB 1 ATOM 1497 H HG12 . ILE A 1 111 ? -60.454 11.417 -0.567 1.00 36.24 ? 123 ILE A HG12 1 ATOM 1498 H HG13 . ILE A 1 111 ? -61.344 12.061 -1.711 1.00 36.24 ? 123 ILE A HG13 1 ATOM 1499 H HG21 . ILE A 1 111 ? -61.797 8.939 -0.028 1.00 37.93 ? 123 ILE A HG21 1 ATOM 1500 H HG22 . ILE A 1 111 ? -61.206 8.031 -1.191 1.00 37.93 ? 123 ILE A HG22 1 ATOM 1501 H HG23 . ILE A 1 111 ? -60.244 8.986 -0.362 1.00 37.93 ? 123 ILE A HG23 1 ATOM 1502 H HD11 . ILE A 1 111 ? -62.278 12.498 0.360 1.00 38.51 ? 123 ILE A HD11 1 ATOM 1503 H HD12 . ILE A 1 111 ? -63.262 11.584 -0.489 1.00 38.51 ? 123 ILE A HD12 1 ATOM 1504 H HD13 . ILE A 1 111 ? -62.371 10.940 0.658 1.00 38.51 ? 123 ILE A HD13 1 ATOM 1505 N N . LYS A 1 112 ? -61.034 8.141 -4.374 1.00 29.34 ? 124 LYS A N 1 ATOM 1506 C CA . LYS A 1 112 ? -60.899 6.830 -5.002 1.00 29.04 ? 124 LYS A CA 1 ATOM 1507 C C . LYS A 1 112 ? -59.546 6.668 -5.691 1.00 27.41 ? 124 LYS A C 1 ATOM 1508 O O . LYS A 1 112 ? -58.906 5.606 -5.590 1.00 28.64 ? 124 LYS A O 1 ATOM 1509 C CB . LYS A 1 112 ? -62.054 6.637 -5.982 1.00 31.13 ? 124 LYS A CB 1 ATOM 1510 C CG . LYS A 1 112 ? -62.028 5.349 -6.748 1.00 34.51 ? 124 LYS A CG 1 ATOM 1511 C CD . LYS A 1 112 ? -63.228 5.253 -7.647 1.00 37.40 ? 124 LYS A CD 1 ATOM 1512 C CE . LYS A 1 112 ? -63.241 3.930 -8.402 1.00 40.52 ? 124 LYS A CE 1 ATOM 1513 N NZ . LYS A 1 112 ? -64.488 3.786 -9.207 1.00 43.43 ? 124 LYS A NZ 1 ATOM 1514 H H . LYS A 1 112 ? -61.695 8.609 -4.662 1.00 35.21 ? 124 LYS A H 1 ATOM 1515 H HA . LYS A 1 112 ? -60.970 6.145 -4.319 1.00 34.85 ? 124 LYS A HA 1 ATOM 1516 H HB2 . LYS A 1 112 ? -62.887 6.666 -5.485 1.00 37.36 ? 124 LYS A HB2 1 ATOM 1517 H HB3 . LYS A 1 112 ? -62.036 7.362 -6.627 1.00 37.36 ? 124 LYS A HB3 1 ATOM 1518 H HG2 . LYS A 1 112 ? -61.229 5.314 -7.297 1.00 41.41 ? 124 LYS A HG2 1 ATOM 1519 H HG3 . LYS A 1 112 ? -62.047 4.603 -6.128 1.00 41.41 ? 124 LYS A HG3 1 ATOM 1520 H HD2 . LYS A 1 112 ? -64.035 5.307 -7.112 1.00 44.88 ? 124 LYS A HD2 1 ATOM 1521 H HD3 . LYS A 1 112 ? -63.203 5.974 -8.294 1.00 44.88 ? 124 LYS A HD3 1 ATOM 1522 H HE2 . LYS A 1 112 ? -62.482 3.897 -9.006 1.00 48.62 ? 124 LYS A HE2 1 ATOM 1523 H HE3 . LYS A 1 112 ? -63.200 3.197 -7.768 1.00 48.62 ? 124 LYS A HE3 1 ATOM 1524 H HZ1 . LYS A 1 112 ? -64.480 3.009 -9.642 1.00 52.12 ? 124 LYS A HZ1 1 ATOM 1525 H HZ2 . LYS A 1 112 ? -65.199 3.811 -8.672 1.00 52.12 ? 124 LYS A HZ2 1 ATOM 1526 H HZ3 . LYS A 1 112 ? -64.546 4.448 -9.798 1.00 52.12 ? 124 LYS A HZ3 1 ATOM 1527 N N . VAL A 1 113 ? -59.092 7.689 -6.418 1.00 25.45 ? 125 VAL A N 1 ATOM 1528 C CA . VAL A 1 113 ? -57.817 7.546 -7.124 1.00 25.44 ? 125 VAL A CA 1 ATOM 1529 C C . VAL A 1 113 ? -56.656 7.484 -6.124 1.00 24.72 ? 125 VAL A C 1 ATOM 1530 O O . VAL A 1 113 ? -55.738 6.668 -6.259 1.00 25.18 ? 125 VAL A O 1 ATOM 1531 C CB . VAL A 1 113 ? -57.637 8.663 -8.175 1.00 26.78 ? 125 VAL A CB 1 ATOM 1532 C CG1 . VAL A 1 113 ? -56.258 8.590 -8.778 1.00 28.45 ? 125 VAL A CG1 1 ATOM 1533 C CG2 . VAL A 1 113 ? -58.679 8.529 -9.286 1.00 27.35 ? 125 VAL A CG2 1 ATOM 1534 H H . VAL A 1 113 ? -59.484 8.447 -6.517 1.00 30.54 ? 125 VAL A H 1 ATOM 1535 H HA . VAL A 1 113 ? -57.828 6.702 -7.602 1.00 30.52 ? 125 VAL A HA 1 ATOM 1536 H HB . VAL A 1 113 ? -57.745 9.529 -7.752 1.00 32.14 ? 125 VAL A HB 1 ATOM 1537 H HG11 . VAL A 1 113 ? -56.163 9.298 -9.435 1.00 34.14 ? 125 VAL A HG11 1 ATOM 1538 H HG12 . VAL A 1 113 ? -55.600 8.701 -8.074 1.00 34.14 ? 125 VAL A HG12 1 ATOM 1539 H HG13 . VAL A 1 113 ? -56.145 7.726 -9.204 1.00 34.14 ? 125 VAL A HG13 1 ATOM 1540 H HG21 . VAL A 1 113 ? -58.545 9.240 -9.932 1.00 32.82 ? 125 VAL A HG21 1 ATOM 1541 H HG22 . VAL A 1 113 ? -58.571 7.666 -9.717 1.00 32.82 ? 125 VAL A HG22 1 ATOM 1542 H HG23 . VAL A 1 113 ? -59.565 8.596 -8.898 1.00 32.82 ? 125 VAL A HG23 1 ATOM 1543 N N . ILE A 1 114 ? -56.658 8.362 -5.119 1.00 25.53 ? 126 ILE A N 1 ATOM 1544 C CA . ILE A 1 114 ? -55.557 8.355 -4.157 1.00 23.93 ? 126 ILE A CA 1 ATOM 1545 C C . ILE A 1 114 ? -55.538 7.030 -3.406 1.00 24.51 ? 126 ILE A C 1 ATOM 1546 O O . ILE A 1 114 ? -54.470 6.458 -3.142 1.00 23.96 ? 126 ILE A O 1 ATOM 1547 C CB . ILE A 1 114 ? -55.676 9.544 -3.184 1.00 24.24 ? 126 ILE A CB 1 ATOM 1548 C CG1 . ILE A 1 114 ? -55.557 10.868 -3.921 1.00 25.27 ? 126 ILE A CG1 1 ATOM 1549 C CG2 . ILE A 1 114 ? -54.622 9.453 -2.084 1.00 25.80 ? 126 ILE A CG2 1 ATOM 1550 C CD1 . ILE A 1 114 ? -55.947 12.046 -3.051 1.00 25.69 ? 126 ILE A CD1 1 ATOM 1551 H H . ILE A 1 114 ? -57.265 8.954 -4.976 1.00 30.64 ? 126 ILE A H 1 ATOM 1552 H HA . ILE A 1 114 ? -54.718 8.441 -4.635 1.00 28.72 ? 126 ILE A HA 1 ATOM 1553 H HB . ILE A 1 114 ? -56.552 9.508 -2.767 1.00 29.08 ? 126 ILE A HB 1 ATOM 1554 H HG12 . ILE A 1 114 ? -54.637 10.993 -4.202 1.00 30.32 ? 126 ILE A HG12 1 ATOM 1555 H HG13 . ILE A 1 114 ? -56.144 10.856 -4.693 1.00 30.32 ? 126 ILE A HG13 1 ATOM 1556 H HG21 . ILE A 1 114 ? -54.721 10.212 -1.489 1.00 30.95 ? 126 ILE A HG21 1 ATOM 1557 H HG22 . ILE A 1 114 ? -54.750 8.627 -1.592 1.00 30.95 ? 126 ILE A HG22 1 ATOM 1558 H HG23 . ILE A 1 114 ? -53.741 9.464 -2.491 1.00 30.95 ? 126 ILE A HG23 1 ATOM 1559 H HD11 . ILE A 1 114 ? -55.854 12.863 -3.565 1.00 30.83 ? 126 ILE A HD11 1 ATOM 1560 H HD12 . ILE A 1 114 ? -56.868 11.937 -2.767 1.00 30.83 ? 126 ILE A HD12 1 ATOM 1561 H HD13 . ILE A 1 114 ? -55.363 12.074 -2.277 1.00 30.83 ? 126 ILE A HD13 1 ATOM 1562 N N . THR A 1 115 ? -56.725 6.490 -3.113 1.00 25.79 ? 127 THR A N 1 ATOM 1563 C CA . THR A 1 115 ? -56.825 5.175 -2.485 1.00 27.30 ? 127 THR A CA 1 ATOM 1564 C C . THR A 1 115 ? -56.201 4.102 -3.371 1.00 27.69 ? 127 THR A C 1 ATOM 1565 O O . THR A 1 115 ? -55.435 3.243 -2.893 1.00 27.39 ? 127 THR A O 1 ATOM 1566 C CB . THR A 1 115 ? -58.293 4.841 -2.188 1.00 28.15 ? 127 THR A CB 1 ATOM 1567 O OG1 . THR A 1 115 ? -58.853 5.780 -1.261 1.00 28.01 ? 127 THR A OG1 1 ATOM 1568 C CG2 . THR A 1 115 ? -58.418 3.416 -1.602 1.00 29.75 ? 127 THR A CG2 1 ATOM 1569 H H . THR A 1 115 ? -57.483 6.866 -3.269 1.00 30.95 ? 127 THR A H 1 ATOM 1570 H HA . THR A 1 115 ? -56.343 5.188 -1.643 1.00 32.76 ? 127 THR A HA 1 ATOM 1571 H HB . THR A 1 115 ? -58.799 4.872 -3.015 1.00 33.78 ? 127 THR A HB 1 ATOM 1572 H HG1 . THR A 1 115 ? -58.815 6.556 -1.580 1.00 33.61 ? 127 THR A HG1 1 ATOM 1573 H HG21 . THR A 1 115 ? -59.349 3.213 -1.417 1.00 35.70 ? 127 THR A HG21 1 ATOM 1574 H HG22 . THR A 1 115 ? -58.074 2.766 -2.234 1.00 35.70 ? 127 THR A HG22 1 ATOM 1575 H HG23 . THR A 1 115 ? -57.912 3.351 -0.777 1.00 35.70 ? 127 THR A HG23 1 ATOM 1576 N N . ASN A 1 116 ? -56.531 4.115 -4.669 1.00 27.70 ? 128 ASN A N 1 ATOM 1577 C CA . ASN A 1 116 ? -55.957 3.135 -5.590 1.00 28.27 ? 128 ASN A CA 1 ATOM 1578 C C . ASN A 1 116 ? -54.438 3.193 -5.567 1.00 27.17 ? 128 ASN A C 1 ATOM 1579 O O . ASN A 1 116 ? -53.770 2.166 -5.423 1.00 28.10 ? 128 ASN A O 1 ATOM 1580 C CB . ASN A 1 116 ? -56.489 3.362 -7.009 1.00 28.65 ? 128 ASN A CB 1 ATOM 1581 C CG . ASN A 1 116 ? -55.999 2.300 -7.979 1.00 32.36 ? 128 ASN A CG 1 ATOM 1582 O OD1 . ASN A 1 116 ? -54.801 2.224 -8.270 1.00 31.58 ? 128 ASN A OD1 1 ATOM 1583 N ND2 . ASN A 1 116 ? -56.920 1.470 -8.469 1.00 35.71 ? 128 ASN A ND2 1 ATOM 1584 H H . ASN A 1 116 ? -57.075 4.673 -5.033 1.00 33.24 ? 128 ASN A H 1 ATOM 1585 H HA . ASN A 1 116 ? -56.226 2.246 -5.310 1.00 33.93 ? 128 ASN A HA 1 ATOM 1586 H HB2 . ASN A 1 116 ? -57.458 3.332 -6.994 1.00 34.38 ? 128 ASN A HB2 1 ATOM 1587 H HB3 . ASN A 1 116 ? -56.186 4.226 -7.329 1.00 34.38 ? 128 ASN A HB3 1 ATOM 1588 H HD21 . ASN A 1 116 ? -57.739 1.573 -8.228 1.00 42.86 ? 128 ASN A HD21 1 ATOM 1589 N N . MET A 1 117 ? -53.865 4.391 -5.718 1.00 26.17 ? 129 MET A N 1 ATOM 1590 C CA . MET A 1 117 ? -52.404 4.515 -5.698 1.00 26.41 ? 129 MET A CA 1 ATOM 1591 C C . MET A 1 117 ? -51.826 4.082 -4.348 1.00 25.57 ? 129 MET A C 1 ATOM 1592 O O . MET A 1 117 ? -50.802 3.385 -4.282 1.00 26.56 ? 129 MET A O 1 ATOM 1593 C CB . MET A 1 117 ? -51.999 5.949 -5.996 1.00 25.65 ? 129 MET A CB 1 ATOM 1594 C CG . MET A 1 117 ? -52.360 6.426 -7.390 1.00 26.74 ? 129 MET A CG 1 ATOM 1595 S SD . MET A 1 117 ? -51.489 5.612 -8.716 1.00 27.50 ? 129 MET A SD 1 ATOM 1596 C CE . MET A 1 117 ? -52.550 4.249 -9.125 1.00 28.41 ? 129 MET A CE 1 ATOM 1597 H H . MET A 1 117 ? -54.289 5.130 -5.831 1.00 31.41 ? 129 MET A H 1 ATOM 1598 H HA . MET A 1 117 ? -52.032 3.950 -6.393 1.00 31.69 ? 129 MET A HA 1 ATOM 1599 H HB2 . MET A 1 117 ? -52.441 6.534 -5.361 1.00 30.78 ? 129 MET A HB2 1 ATOM 1600 H HB3 . MET A 1 117 ? -51.037 6.026 -5.898 1.00 30.78 ? 129 MET A HB3 1 ATOM 1601 H HG2 . MET A 1 117 ? -53.309 6.279 -7.530 1.00 32.08 ? 129 MET A HG2 1 ATOM 1602 H HG3 . MET A 1 117 ? -52.166 7.374 -7.452 1.00 32.08 ? 129 MET A HG3 1 ATOM 1603 H HE1 . MET A 1 117 ? -52.652 3.684 -8.343 1.00 34.09 ? 129 MET A HE1 1 ATOM 1604 H HE2 . MET A 1 117 ? -53.414 4.593 -9.400 1.00 34.09 ? 129 MET A HE2 1 ATOM 1605 H HE3 . MET A 1 117 ? -52.148 3.743 -9.848 1.00 34.09 ? 129 MET A HE3 1 ATOM 1606 N N . THR A 1 118 ? -52.452 4.503 -3.256 1.00 24.86 ? 130 THR A N 1 ATOM 1607 C CA . THR A 1 118 ? -51.937 4.146 -1.936 1.00 25.57 ? 130 THR A CA 1 ATOM 1608 C C . THR A 1 118 ? -51.934 2.634 -1.752 1.00 26.07 ? 130 THR A C 1 ATOM 1609 O O . THR A 1 118 ? -50.951 2.049 -1.272 1.00 26.17 ? 130 THR A O 1 ATOM 1610 C CB . THR A 1 118 ? -52.773 4.808 -0.827 1.00 24.95 ? 130 THR A CB 1 ATOM 1611 O OG1 . THR A 1 118 ? -52.682 6.228 -0.908 1.00 25.57 ? 130 THR A OG1 1 ATOM 1612 C CG2 . THR A 1 118 ? -52.252 4.385 0.537 1.00 26.16 ? 130 THR A CG2 1 ATOM 1613 H H . THR A 1 118 ? -53.163 4.987 -3.248 1.00 29.83 ? 130 THR A H 1 ATOM 1614 H HA . THR A 1 118 ? -51.023 4.462 -1.855 1.00 30.68 ? 130 THR A HA 1 ATOM 1615 H HB . THR A 1 118 ? -53.700 4.534 -0.906 1.00 29.93 ? 130 THR A HB 1 ATOM 1616 H HG1 . THR A 1 118 ? -52.968 6.492 -1.653 1.00 30.69 ? 130 THR A HG1 1 ATOM 1617 H HG21 . THR A 1 118 ? -52.778 4.802 1.237 1.00 31.39 ? 130 THR A HG21 1 ATOM 1618 H HG22 . THR A 1 118 ? -52.311 3.421 0.630 1.00 31.39 ? 130 THR A HG22 1 ATOM 1619 H HG23 . THR A 1 118 ? -51.325 4.654 0.636 1.00 31.39 ? 130 THR A HG23 1 ATOM 1620 N N . MET A 1 119 ? -53.037 1.984 -2.113 1.00 28.40 ? 131 MET A N 1 ATOM 1621 C CA . MET A 1 119 ? -53.133 0.543 -1.936 1.00 29.19 ? 131 MET A CA 1 ATOM 1622 C C . MET A 1 119 ? -52.233 -0.216 -2.909 1.00 29.30 ? 131 MET A C 1 ATOM 1623 O O . MET A 1 119 ? -51.720 -1.285 -2.561 1.00 31.09 ? 131 MET A O 1 ATOM 1624 C CB . MET A 1 119 ? -54.587 0.096 -2.080 1.00 30.70 ? 131 MET A CB 1 ATOM 1625 C CG . MET A 1 119 ? -55.528 0.608 -0.996 1.00 35.25 ? 131 MET A CG 1 ATOM 1626 S SD . MET A 1 119 ? -54.958 0.214 0.671 1.00 42.35 ? 131 MET A SD 1 ATOM 1627 C CE . MET A 1 119 ? -54.777 -1.563 0.532 1.00 44.23 ? 131 MET A CE 1 ATOM 1628 H H . MET A 1 119 ? -53.734 2.350 -2.458 1.00 34.08 ? 131 MET A H 1 ATOM 1629 H HA . MET A 1 119 ? -52.853 0.328 -1.033 1.00 35.02 ? 131 MET A HA 1 ATOM 1630 H HB2 . MET A 1 119 ? -54.924 0.412 -2.933 1.00 36.84 ? 131 MET A HB2 1 ATOM 1631 H HB3 . MET A 1 119 ? -54.616 -0.873 -2.058 1.00 36.84 ? 131 MET A HB3 1 ATOM 1632 H HG2 . MET A 1 119 ? -55.598 1.573 -1.069 1.00 42.30 ? 131 MET A HG2 1 ATOM 1633 H HG3 . MET A 1 119 ? -56.401 0.202 -1.118 1.00 42.30 ? 131 MET A HG3 1 ATOM 1634 H HE1 . MET A 1 119 ? -54.467 -1.916 1.381 1.00 53.07 ? 131 MET A HE1 1 ATOM 1635 H HE2 . MET A 1 119 ? -55.637 -1.951 0.306 1.00 53.07 ? 131 MET A HE2 1 ATOM 1636 H HE3 . MET A 1 119 ? -54.132 -1.761 -0.164 1.00 53.07 ? 131 MET A HE3 1 ATOM 1637 N N . THR A 1 120 ? -52.031 0.304 -4.121 1.00 27.26 ? 132 THR A N 1 ATOM 1638 C CA . THR A 1 120 ? -51.036 -0.288 -5.015 1.00 27.82 ? 132 THR A CA 1 ATOM 1639 C C . THR A 1 120 ? -49.675 -0.351 -4.328 1.00 28.17 ? 132 THR A C 1 ATOM 1640 O O . THR A 1 120 ? -48.993 -1.391 -4.344 1.00 29.47 ? 132 THR A O 1 ATOM 1641 C CB . THR A 1 120 ? -50.965 0.521 -6.322 1.00 27.83 ? 132 THR A CB 1 ATOM 1642 O OG1 . THR A 1 120 ? -52.217 0.464 -7.013 1.00 28.34 ? 132 THR A OG1 1 ATOM 1643 C CG2 . THR A 1 120 ? -49.905 -0.022 -7.267 1.00 27.75 ? 132 THR A CG2 1 ATOM 1644 H H . THR A 1 120 ? -52.447 0.985 -4.443 1.00 32.71 ? 132 THR A H 1 ATOM 1645 H HA . THR A 1 120 ? -51.305 -1.194 -5.235 1.00 33.39 ? 132 THR A HA 1 ATOM 1646 H HB . THR A 1 120 ? -50.750 1.445 -6.118 1.00 33.40 ? 132 THR A HB 1 ATOM 1647 H HG1 . THR A 1 120 ? -52.826 0.783 -6.531 1.00 34.00 ? 132 THR A HG1 1 ATOM 1648 H HG21 . THR A 1 120 ? -49.884 0.507 -8.080 1.00 33.29 ? 132 THR A HG21 1 ATOM 1649 H HG22 . THR A 1 120 ? -49.033 0.015 -6.843 1.00 33.29 ? 132 THR A HG22 1 ATOM 1650 H HG23 . THR A 1 120 ? -50.106 -0.943 -7.495 1.00 33.29 ? 132 THR A HG23 1 ATOM 1651 N N . VAL A 1 121 ? -49.256 0.761 -3.731 1.00 26.00 ? 133 VAL A N 1 ATOM 1652 C CA . VAL A 1 121 ? -47.985 0.796 -3.021 1.00 25.74 ? 133 VAL A CA 1 ATOM 1653 C C . VAL A 1 121 ? -48.006 -0.140 -1.819 1.00 26.79 ? 133 VAL A C 1 ATOM 1654 O O . VAL A 1 121 ? -47.065 -0.907 -1.605 1.00 27.02 ? 133 VAL A O 1 ATOM 1655 C CB . VAL A 1 121 ? -47.654 2.238 -2.606 1.00 25.45 ? 133 VAL A CB 1 ATOM 1656 C CG1 . VAL A 1 121 ? -46.438 2.248 -1.725 1.00 26.12 ? 133 VAL A CG1 1 ATOM 1657 C CG2 . VAL A 1 121 ? -47.412 3.129 -3.820 1.00 26.25 ? 133 VAL A CG2 1 ATOM 1658 H H . VAL A 1 121 ? -49.689 1.504 -3.722 1.00 31.20 ? 133 VAL A H 1 ATOM 1659 H HA . VAL A 1 121 ? -47.285 0.493 -3.620 1.00 30.88 ? 133 VAL A HA 1 ATOM 1660 H HB . VAL A 1 121 ? -48.398 2.604 -2.103 1.00 30.54 ? 133 VAL A HB 1 ATOM 1661 H HG11 . VAL A 1 121 ? -46.241 3.163 -1.470 1.00 31.34 ? 133 VAL A HG11 1 ATOM 1662 H HG12 . VAL A 1 121 ? -46.617 1.716 -0.934 1.00 31.34 ? 133 VAL A HG12 1 ATOM 1663 H HG13 . VAL A 1 121 ? -45.690 1.872 -2.215 1.00 31.34 ? 133 VAL A HG13 1 ATOM 1664 H HG21 . VAL A 1 121 ? -47.207 4.027 -3.516 1.00 31.49 ? 133 VAL A HG21 1 ATOM 1665 H HG22 . VAL A 1 121 ? -46.667 2.774 -4.329 1.00 31.49 ? 133 VAL A HG22 1 ATOM 1666 H HG23 . VAL A 1 121 ? -48.212 3.139 -4.369 1.00 31.49 ? 133 VAL A HG23 1 ATOM 1667 N N . GLN A 1 122 ? -49.052 -0.068 -0.995 1.00 27.70 ? 134 GLN A N 1 ATOM 1668 C CA . GLN A 1 122 ? -49.081 -0.893 0.217 1.00 28.90 ? 134 GLN A CA 1 ATOM 1669 C C . GLN A 1 122 ? -49.132 -2.385 -0.109 1.00 29.28 ? 134 GLN A C 1 ATOM 1670 O O . GLN A 1 122 ? -48.544 -3.205 0.602 1.00 29.80 ? 134 GLN A O 1 ATOM 1671 C CB . GLN A 1 122 ? -50.230 -0.479 1.143 1.00 28.03 ? 134 GLN A CB 1 ATOM 1672 C CG . GLN A 1 122 ? -49.987 0.892 1.753 1.00 28.20 ? 134 GLN A CG 1 ATOM 1673 C CD . GLN A 1 122 ? -51.108 1.439 2.625 1.00 30.39 ? 134 GLN A CD 1 ATOM 1674 O OE1 . GLN A 1 122 ? -52.118 0.795 2.842 1.00 34.01 ? 134 GLN A OE1 1 ATOM 1675 N NE2 . GLN A 1 122 ? -50.903 2.650 3.149 1.00 30.08 ? 134 GLN A NE2 1 ATOM 1676 H H . GLN A 1 122 ? -49.741 0.434 -1.110 1.00 33.23 ? 134 GLN A H 1 ATOM 1677 H HA . GLN A 1 122 ? -48.256 -0.738 0.703 1.00 34.68 ? 134 GLN A HA 1 ATOM 1678 H HB2 . GLN A 1 122 ? -51.055 -0.443 0.634 1.00 33.64 ? 134 GLN A HB2 1 ATOM 1679 H HB3 . GLN A 1 122 ? -50.308 -1.123 1.864 1.00 33.64 ? 134 GLN A HB3 1 ATOM 1680 H HG2 . GLN A 1 122 ? -49.189 0.845 2.303 1.00 33.83 ? 134 GLN A HG2 1 ATOM 1681 H HG3 . GLN A 1 122 ? -49.846 1.526 1.033 1.00 33.83 ? 134 GLN A HG3 1 ATOM 1682 H HE21 . GLN A 1 122 ? -50.171 3.072 2.985 1.00 36.10 ? 134 GLN A HE21 1 ATOM 1683 H HE22 . GLN A 1 122 ? -51.502 3.009 3.650 1.00 36.10 ? 134 GLN A HE22 1 ATOM 1684 N N . ASN A 1 123 ? -49.825 -2.758 -1.178 1.00 31.87 ? 135 ASN A N 1 ATOM 1685 C CA . ASN A 1 123 ? -49.872 -4.164 -1.553 1.00 32.11 ? 135 ASN A CA 1 ATOM 1686 C C . ASN A 1 123 ? -48.521 -4.661 -2.059 1.00 32.52 ? 135 ASN A C 1 ATOM 1687 O O . ASN A 1 123 ? -48.119 -5.784 -1.736 1.00 33.07 ? 135 ASN A O 1 ATOM 1688 C CB . ASN A 1 123 ? -50.957 -4.395 -2.584 1.00 33.52 ? 135 ASN A CB 1 ATOM 1689 C CG . ASN A 1 123 ? -52.340 -4.270 -2.010 1.00 36.12 ? 135 ASN A CG 1 ATOM 1690 O OD1 . ASN A 1 123 ? -52.543 -4.348 -0.790 1.00 38.30 ? 135 ASN A OD1 1 ATOM 1691 N ND2 . ASN A 1 123 ? -53.317 -4.106 -2.889 1.00 37.45 ? 135 ASN A ND2 1 ATOM 1692 H H . ASN A 1 123 ? -50.267 -2.229 -1.693 1.00 38.25 ? 135 ASN A H 1 ATOM 1693 H HA . ASN A 1 123 ? -50.099 -4.685 -0.767 1.00 38.53 ? 135 ASN A HA 1 ATOM 1694 H HB2 . ASN A 1 123 ? -50.865 -3.738 -3.292 1.00 40.23 ? 135 ASN A HB2 1 ATOM 1695 H HB3 . ASN A 1 123 ? -50.863 -5.290 -2.947 1.00 40.23 ? 135 ASN A HB3 1 ATOM 1696 H HD21 . ASN A 1 123 ? -54.130 -4.029 -2.618 1.00 44.94 ? 135 ASN A HD21 1 ATOM 1697 H HD22 . ASN A 1 123 ? -53.139 -4.077 -3.730 1.00 44.94 ? 135 ASN A HD22 1 ATOM 1698 N N . LEU A 1 124 ? -47.798 -3.842 -2.838 1.00 32.17 ? 136 LEU A N 1 ATOM 1699 C CA . LEU A 1 124 ? -46.530 -4.280 -3.427 1.00 33.08 ? 136 LEU A CA 1 ATOM 1700 C C . LEU A 1 124 ? -45.349 -4.168 -2.470 1.00 32.78 ? 136 LEU A C 1 ATOM 1701 O O . LEU A 1 124 ? -44.387 -4.938 -2.600 1.00 34.08 ? 136 LEU A O 1 ATOM 1702 C CB . LEU A 1 124 ? -46.207 -3.441 -4.659 1.00 34.58 ? 136 LEU A CB 1 ATOM 1703 C CG . LEU A 1 124 ? -46.799 -3.887 -5.962 1.00 37.40 ? 136 LEU A CG 1 ATOM 1704 C CD1 . LEU A 1 124 ? -46.499 -2.829 -6.989 1.00 37.60 ? 136 LEU A CD1 1 ATOM 1705 C CD2 . LEU A 1 124 ? -46.221 -5.245 -6.369 1.00 38.21 ? 136 LEU A CD2 1 ATOM 1706 H H . LEU A 1 124 ? -48.021 -3.035 -3.037 1.00 38.60 ? 136 LEU A H 1 ATOM 1707 H HA . LEU A 1 124 ? -46.610 -5.207 -3.702 1.00 39.69 ? 136 LEU A HA 1 ATOM 1708 H HB2 . LEU A 1 124 ? -46.520 -2.537 -4.498 1.00 41.49 ? 136 LEU A HB2 1 ATOM 1709 H HB3 . LEU A 1 124 ? -45.244 -3.430 -4.772 1.00 41.49 ? 136 LEU A HB3 1 ATOM 1710 H HG . LEU A 1 124 ? -47.761 -3.972 -5.873 1.00 44.88 ? 136 LEU A HG 1 ATOM 1711 H HD11 . LEU A 1 124 ? -46.876 -3.100 -7.841 1.00 45.12 ? 136 LEU A HD11 1 ATOM 1712 H HD12 . LEU A 1 124 ? -46.897 -1.991 -6.703 1.00 45.12 ? 136 LEU A HD12 1 ATOM 1713 H HD13 . LEU A 1 124 ? -45.538 -2.729 -7.068 1.00 45.12 ? 136 LEU A HD13 1 ATOM 1714 H HD21 . LEU A 1 124 ? -46.616 -5.515 -7.212 1.00 45.85 ? 136 LEU A HD21 1 ATOM 1715 H HD22 . LEU A 1 124 ? -45.260 -5.162 -6.464 1.00 45.85 ? 136 LEU A HD22 1 ATOM 1716 H HD23 . LEU A 1 124 ? -46.431 -5.895 -5.681 1.00 45.85 ? 136 LEU A HD23 1 ATOM 1717 N N . PHE A 1 125 ? -45.406 -3.225 -1.532 1.00 30.45 ? 137 PHE A N 1 ATOM 1718 C CA . PHE A 1 125 ? -44.315 -2.922 -0.597 1.00 29.63 ? 137 PHE A CA 1 ATOM 1719 C C . PHE A 1 125 ? -44.836 -2.935 0.835 1.00 29.81 ? 137 PHE A C 1 ATOM 1720 O O . PHE A 1 125 ? -44.746 -1.929 1.553 1.00 30.09 ? 137 PHE A O 1 ATOM 1721 C CB . PHE A 1 125 ? -43.696 -1.561 -0.906 1.00 29.33 ? 137 PHE A CB 1 ATOM 1722 C CG . PHE A 1 125 ? -43.251 -1.399 -2.316 1.00 30.15 ? 137 PHE A CG 1 ATOM 1723 C CD1 . PHE A 1 125 ? -42.005 -1.835 -2.714 1.00 31.17 ? 137 PHE A CD1 1 ATOM 1724 C CD2 . PHE A 1 125 ? -44.073 -0.793 -3.253 1.00 29.94 ? 137 PHE A CD2 1 ATOM 1725 C CE1 . PHE A 1 125 ? -41.604 -1.693 -4.036 1.00 30.88 ? 137 PHE A CE1 1 ATOM 1726 C CE2 . PHE A 1 125 ? -43.670 -0.640 -4.530 1.00 30.21 ? 137 PHE A CE2 1 ATOM 1727 C CZ . PHE A 1 125 ? -42.438 -1.089 -4.928 1.00 30.76 ? 137 PHE A CZ 1 ATOM 1728 H H . PHE A 1 125 ? -46.095 -2.725 -1.411 1.00 36.54 ? 137 PHE A H 1 ATOM 1729 H HA . PHE A 1 125 ? -43.624 -3.598 -0.678 1.00 35.56 ? 137 PHE A HA 1 ATOM 1730 H HB2 . PHE A 1 125 ? -44.354 -0.872 -0.723 1.00 35.20 ? 137 PHE A HB2 1 ATOM 1731 H HB3 . PHE A 1 125 ? -42.922 -1.434 -0.336 1.00 35.20 ? 137 PHE A HB3 1 ATOM 1732 H HD1 . PHE A 1 125 ? -41.442 -2.250 -2.101 1.00 37.40 ? 137 PHE A HD1 1 ATOM 1733 H HD2 . PHE A 1 125 ? -44.914 -0.487 -2.997 1.00 35.93 ? 137 PHE A HD2 1 ATOM 1734 H HE1 . PHE A 1 125 ? -40.764 -1.988 -4.305 1.00 37.05 ? 137 PHE A HE1 1 ATOM 1735 H HE2 . PHE A 1 125 ? -44.236 -0.236 -5.148 1.00 36.25 ? 137 PHE A HE2 1 ATOM 1736 H HZ . PHE A 1 125 ? -42.171 -0.982 -5.813 1.00 36.91 ? 137 PHE A HZ 1 ATOM 1737 N N . PRO A 1 126 ? -45.325 -4.088 1.308 1.00 30.40 ? 138 PRO A N 1 ATOM 1738 C CA . PRO A 1 126 ? -45.993 -4.118 2.618 1.00 30.47 ? 138 PRO A CA 1 ATOM 1739 C C . PRO A 1 126 ? -45.123 -3.701 3.781 1.00 29.97 ? 138 PRO A C 1 ATOM 1740 O O . PRO A 1 126 ? -45.665 -3.234 4.784 1.00 30.52 ? 138 PRO A O 1 ATOM 1741 C CB . PRO A 1 126 ? -46.445 -5.582 2.767 1.00 31.06 ? 138 PRO A CB 1 ATOM 1742 C CG . PRO A 1 126 ? -45.609 -6.352 1.784 1.00 32.59 ? 138 PRO A CG 1 ATOM 1743 C CD . PRO A 1 126 ? -45.355 -5.400 0.648 1.00 30.95 ? 138 PRO A CD 1 ATOM 1744 H HA . PRO A 1 126 ? -46.779 -3.550 2.598 1.00 36.57 ? 138 PRO A HA 1 ATOM 1745 H HB2 . PRO A 1 126 ? -46.276 -5.886 3.672 1.00 37.28 ? 138 PRO A HB2 1 ATOM 1746 H HB3 . PRO A 1 126 ? -47.387 -5.657 2.549 1.00 37.28 ? 138 PRO A HB3 1 ATOM 1747 H HG2 . PRO A 1 126 ? -44.775 -6.617 2.202 1.00 39.11 ? 138 PRO A HG2 1 ATOM 1748 H HG3 . PRO A 1 126 ? -46.101 -7.129 1.476 1.00 39.11 ? 138 PRO A HG3 1 ATOM 1749 H HD2 . PRO A 1 126 ? -44.500 -5.590 0.232 1.00 37.14 ? 138 PRO A HD2 1 ATOM 1750 H HD3 . PRO A 1 126 ? -46.081 -5.439 0.005 1.00 37.14 ? 138 PRO A HD3 1 ATOM 1751 N N . ASN A 1 127 ? -43.807 -3.861 3.679 1.00 30.10 ? 139 ASN A N 1 ATOM 1752 C CA . ASN A 1 127 ? -42.877 -3.586 4.759 1.00 31.72 ? 139 ASN A CA 1 ATOM 1753 C C . ASN A 1 127 ? -42.157 -2.255 4.637 1.00 30.30 ? 139 ASN A C 1 ATOM 1754 O O . ASN A 1 127 ? -41.335 -1.953 5.504 1.00 31.79 ? 139 ASN A O 1 ATOM 1755 C CB . ASN A 1 127 ? -41.830 -4.699 4.823 1.00 33.91 ? 139 ASN A CB 1 ATOM 1756 C CG . ASN A 1 127 ? -42.445 -6.040 5.036 1.00 36.53 ? 139 ASN A CG 1 ATOM 1757 O OD1 . ASN A 1 127 ? -43.389 -6.175 5.806 1.00 37.52 ? 139 ASN A OD1 1 ATOM 1758 N ND2 . ASN A 1 127 ? -41.937 -7.049 4.335 1.00 38.50 ? 139 ASN A ND2 1 ATOM 1759 H H . ASN A 1 127 ? -43.418 -4.140 2.964 1.00 36.12 ? 139 ASN A H 1 ATOM 1760 H HA . ASN A 1 127 ? -43.364 -3.585 5.598 1.00 38.07 ? 139 ASN A HA 1 ATOM 1761 H HB2 . ASN A 1 127 ? -41.339 -4.722 3.986 1.00 40.69 ? 139 ASN A HB2 1 ATOM 1762 H HB3 . ASN A 1 127 ? -41.224 -4.524 5.560 1.00 40.69 ? 139 ASN A HB3 1 ATOM 1763 H HD21 . ASN A 1 127 ? -42.261 -7.841 4.426 1.00 46.20 ? 139 ASN A HD21 1 ATOM 1764 H HD22 . ASN A 1 127 ? -41.286 -6.911 3.791 1.00 46.20 ? 139 ASN A HD22 1 ATOM 1765 N N . LEU A 1 128 ? -42.454 -1.444 3.619 1.00 28.15 ? 140 LEU A N 1 ATOM 1766 C CA . LEU A 1 128 ? -41.723 -0.212 3.341 1.00 27.80 ? 140 LEU A CA 1 ATOM 1767 C C . LEU A 1 128 ? -42.513 0.996 3.858 1.00 27.31 ? 140 LEU A C 1 ATOM 1768 O O . LEU A 1 128 ? -43.643 1.240 3.424 1.00 27.07 ? 140 LEU A O 1 ATOM 1769 C CB . LEU A 1 128 ? -41.521 -0.079 1.830 1.00 28.23 ? 140 LEU A CB 1 ATOM 1770 C CG . LEU A 1 128 ? -40.578 1.014 1.336 1.00 29.46 ? 140 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 128 ? -39.161 0.675 1.793 1.00 30.49 ? 140 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 128 ? -40.625 1.195 -0.190 1.00 30.02 ? 140 LEU A CD2 1 ATOM 1773 H H . LEU A 1 128 ? -43.093 -1.593 3.062 1.00 33.78 ? 140 LEU A H 1 ATOM 1774 H HA . LEU A 1 128 ? -40.856 -0.233 3.776 1.00 33.36 ? 140 LEU A HA 1 ATOM 1775 H HB2 . LEU A 1 128 ? -41.176 -0.923 1.499 1.00 33.88 ? 140 LEU A HB2 1 ATOM 1776 H HB3 . LEU A 1 128 ? -42.387 0.090 1.426 1.00 33.88 ? 140 LEU A HB3 1 ATOM 1777 H HG . LEU A 1 128 ? -40.831 1.857 1.745 1.00 35.35 ? 140 LEU A HG 1 ATOM 1778 H HD11 . LEU A 1 128 ? -38.556 1.367 1.482 1.00 36.59 ? 140 LEU A HD11 1 ATOM 1779 H HD12 . LEU A 1 128 ? -39.144 0.632 2.762 1.00 36.59 ? 140 LEU A HD12 1 ATOM 1780 H HD13 . LEU A 1 128 ? -38.905 -0.182 1.419 1.00 36.59 ? 140 LEU A HD13 1 ATOM 1781 H HD21 . LEU A 1 128 ? -40.008 1.899 -0.444 1.00 36.03 ? 140 LEU A HD21 1 ATOM 1782 H HD22 . LEU A 1 128 ? -40.368 0.361 -0.615 1.00 36.03 ? 140 LEU A HD22 1 ATOM 1783 H HD23 . LEU A 1 128 ? -41.528 1.435 -0.452 1.00 36.03 ? 140 LEU A HD23 1 ATOM 1784 N N . GLN A 1 129 ? -41.895 1.788 4.723 1.00 26.72 ? 141 GLN A N 1 ATOM 1785 C CA . GLN A 1 129 ? -42.513 3.033 5.143 1.00 24.80 ? 141 GLN A CA 1 ATOM 1786 C C . GLN A 1 129 ? -42.447 4.037 4.004 1.00 25.36 ? 141 GLN A C 1 ATOM 1787 O O . GLN A 1 129 ? -41.397 4.221 3.369 1.00 26.17 ? 141 GLN A O 1 ATOM 1788 C CB . GLN A 1 129 ? -41.778 3.581 6.356 1.00 23.87 ? 141 GLN A CB 1 ATOM 1789 C CG . GLN A 1 129 ? -42.475 4.771 7.023 1.00 24.77 ? 141 GLN A CG 1 ATOM 1790 C CD . GLN A 1 129 ? -41.804 5.216 8.316 1.00 26.00 ? 141 GLN A CD 1 ATOM 1791 O OE1 . GLN A 1 129 ? -40.631 4.921 8.577 1.00 27.19 ? 141 GLN A OE1 1 ATOM 1792 N NE2 . GLN A 1 129 ? -42.559 5.892 9.151 1.00 25.34 ? 141 GLN A NE2 1 ATOM 1793 H H . GLN A 1 129 ? -41.127 1.630 5.076 1.00 32.06 ? 141 GLN A H 1 ATOM 1794 H HA . GLN A 1 129 ? -43.442 2.881 5.378 1.00 29.76 ? 141 GLN A HA 1 ATOM 1795 H HB2 . GLN A 1 129 ? -41.700 2.876 7.018 1.00 28.64 ? 141 GLN A HB2 1 ATOM 1796 H HB3 . GLN A 1 129 ? -40.895 3.871 6.081 1.00 28.64 ? 141 GLN A HB3 1 ATOM 1797 H HG2 . GLN A 1 129 ? -42.468 5.523 6.410 1.00 29.73 ? 141 GLN A HG2 1 ATOM 1798 H HG3 . GLN A 1 129 ? -43.389 4.524 7.232 1.00 29.73 ? 141 GLN A HG3 1 ATOM 1799 H HE21 . GLN A 1 129 ? -43.379 6.058 8.952 1.00 30.41 ? 141 GLN A HE21 1 ATOM 1800 H HE22 . GLN A 1 129 ? -42.233 6.169 9.898 1.00 30.41 ? 141 GLN A HE22 1 ATOM 1801 N N . VAL A 1 130 ? -43.581 4.655 3.719 1.00 24.48 ? 142 VAL A N 1 ATOM 1802 C CA . VAL A 1 130 ? -43.710 5.636 2.647 1.00 23.50 ? 142 VAL A CA 1 ATOM 1803 C C . VAL A 1 130 ? -44.185 6.954 3.244 1.00 23.01 ? 142 VAL A C 1 ATOM 1804 O O . VAL A 1 130 ? -45.038 6.966 4.139 1.00 23.26 ? 142 VAL A O 1 ATOM 1805 C CB . VAL A 1 130 ? -44.686 5.133 1.568 1.00 23.00 ? 142 VAL A CB 1 ATOM 1806 C CG1 . VAL A 1 130 ? -44.803 6.156 0.414 1.00 23.34 ? 142 VAL A CG1 1 ATOM 1807 C CG2 . VAL A 1 130 ? -44.232 3.770 1.017 1.00 25.77 ? 142 VAL A CG2 1 ATOM 1808 H H . VAL A 1 130 ? -44.316 4.519 4.144 1.00 29.38 ? 142 VAL A H 1 ATOM 1809 H HA . VAL A 1 130 ? -42.844 5.781 2.235 1.00 28.20 ? 142 VAL A HA 1 ATOM 1810 H HB . VAL A 1 130 ? -45.565 5.022 1.962 1.00 27.60 ? 142 VAL A HB 1 ATOM 1811 H HG11 . VAL A 1 130 ? -45.423 5.813 -0.249 1.00 28.01 ? 142 VAL A HG11 1 ATOM 1812 H HG12 . VAL A 1 130 ? -45.130 6.997 0.770 1.00 28.01 ? 142 VAL A HG12 1 ATOM 1813 H HG13 . VAL A 1 130 ? -43.928 6.282 0.015 1.00 28.01 ? 142 VAL A HG13 1 ATOM 1814 H HG21 . VAL A 1 130 ? -44.863 3.477 0.341 1.00 30.92 ? 142 VAL A HG21 1 ATOM 1815 H HG22 . VAL A 1 130 ? -43.349 3.867 0.626 1.00 30.92 ? 142 VAL A HG22 1 ATOM 1816 H HG23 . VAL A 1 130 ? -44.204 3.129 1.744 1.00 30.92 ? 142 VAL A HG23 1 ATOM 1817 N N . PHE A 1 131 ? -43.607 8.062 2.771 1.00 22.88 ? 143 PHE A N 1 ATOM 1818 C CA . PHE A 1 131 ? -43.957 9.393 3.242 1.00 22.12 ? 143 PHE A CA 1 ATOM 1819 C C . PHE A 1 131 ? -44.631 10.152 2.107 1.00 22.61 ? 143 PHE A C 1 ATOM 1820 O O . PHE A 1 131 ? -43.945 10.650 1.209 1.00 22.24 ? 143 PHE A O 1 ATOM 1821 C CB . PHE A 1 131 ? -42.702 10.120 3.720 1.00 22.05 ? 143 PHE A CB 1 ATOM 1822 C CG . PHE A 1 131 ? -42.016 9.404 4.821 1.00 22.10 ? 143 PHE A CG 1 ATOM 1823 C CD1 . PHE A 1 131 ? -42.416 9.617 6.128 1.00 23.21 ? 143 PHE A CD1 1 ATOM 1824 C CD2 . PHE A 1 131 ? -41.036 8.452 4.579 1.00 23.32 ? 143 PHE A CD2 1 ATOM 1825 C CE1 . PHE A 1 131 ? -41.832 8.940 7.171 1.00 24.21 ? 143 PHE A CE1 1 ATOM 1826 C CE2 . PHE A 1 131 ? -40.461 7.747 5.679 1.00 23.76 ? 143 PHE A CE2 1 ATOM 1827 C CZ . PHE A 1 131 ? -40.853 8.034 6.950 1.00 24.11 ? 143 PHE A CZ 1 ATOM 1828 H H . PHE A 1 131 ? -42.997 8.062 2.164 1.00 27.46 ? 143 PHE A H 1 ATOM 1829 H HA . PHE A 1 131 ? -44.579 9.325 3.983 1.00 26.55 ? 143 PHE A HA 1 ATOM 1830 H HB2 . PHE A 1 131 ? -42.080 10.200 2.980 1.00 26.46 ? 143 PHE A HB2 1 ATOM 1831 H HB3 . PHE A 1 131 ? -42.950 11.001 4.043 1.00 26.46 ? 143 PHE A HB3 1 ATOM 1832 H HD1 . PHE A 1 131 ? -43.078 10.245 6.306 1.00 27.85 ? 143 PHE A HD1 1 ATOM 1833 H HD2 . PHE A 1 131 ? -40.763 8.269 3.709 1.00 27.99 ? 143 PHE A HD2 1 ATOM 1834 H HE1 . PHE A 1 131 ? -42.103 9.118 8.043 1.00 29.05 ? 143 PHE A HE1 1 ATOM 1835 H HE2 . PHE A 1 131 ? -39.784 7.127 5.531 1.00 28.51 ? 143 PHE A HE2 1 ATOM 1836 H HZ . PHE A 1 131 ? -40.473 7.579 7.666 1.00 28.93 ? 143 PHE A HZ 1 ATOM 1837 N N . PRO A 1 132 ? -45.962 10.260 2.099 1.00 21.83 ? 144 PRO A N 1 ATOM 1838 C CA . PRO A 1 132 ? -46.640 10.997 1.037 1.00 22.62 ? 144 PRO A CA 1 ATOM 1839 C C . PRO A 1 132 ? -46.745 12.477 1.373 1.00 21.62 ? 144 PRO A C 1 ATOM 1840 O O . PRO A 1 132 ? -46.731 12.904 2.535 1.00 21.36 ? 144 PRO A O 1 ATOM 1841 C CB . PRO A 1 132 ? -48.036 10.361 1.004 1.00 22.14 ? 144 PRO A CB 1 ATOM 1842 C CG . PRO A 1 132 ? -47.932 9.066 1.816 1.00 22.31 ? 144 PRO A CG 1 ATOM 1843 C CD . PRO A 1 132 ? -46.905 9.410 2.861 1.00 22.16 ? 144 PRO A CD 1 ATOM 1844 H HA . PRO A 1 132 ? -46.196 10.875 0.183 1.00 27.15 ? 144 PRO A HA 1 ATOM 1845 H HB2 . PRO A 1 132 ? -48.678 10.966 1.409 1.00 26.57 ? 144 PRO A HB2 1 ATOM 1846 H HB3 . PRO A 1 132 ? -48.283 10.168 0.086 1.00 26.57 ? 144 PRO A HB3 1 ATOM 1847 H HG2 . PRO A 1 132 ? -48.788 8.858 2.223 1.00 26.78 ? 144 PRO A HG2 1 ATOM 1848 H HG3 . PRO A 1 132 ? -47.626 8.341 1.250 1.00 26.78 ? 144 PRO A HG3 1 ATOM 1849 H HD2 . PRO A 1 132 ? -47.309 9.912 3.585 1.00 26.60 ? 144 PRO A HD2 1 ATOM 1850 H HD3 . PRO A 1 132 ? -46.461 8.609 3.181 1.00 26.60 ? 144 PRO A HD3 1 ATOM 1851 N N . ALA A 1 133 ? -46.861 13.261 0.326 1.00 21.89 ? 145 ALA A N 1 ATOM 1852 C CA . ALA A 1 133 ? -47.306 14.633 0.428 1.00 22.28 ? 145 ALA A CA 1 ATOM 1853 C C . ALA A 1 133 ? -48.449 14.807 -0.553 1.00 22.36 ? 145 ALA A C 1 ATOM 1854 O O . ALA A 1 133 ? -48.521 14.123 -1.587 1.00 23.89 ? 145 ALA A O 1 ATOM 1855 C CB . ALA A 1 133 ? -46.196 15.611 0.079 1.00 23.70 ? 145 ALA A CB 1 ATOM 1856 H H . ALA A 1 133 ? -46.684 13.015 -0.479 1.00 26.27 ? 145 ALA A H 1 ATOM 1857 H HA . ALA A 1 133 ? -47.624 14.817 1.326 1.00 26.74 ? 145 ALA A HA 1 ATOM 1858 H HB1 . ALA A 1 133 ? -46.536 16.516 0.161 1.00 28.44 ? 145 ALA A HB1 1 ATOM 1859 H HB2 . ALA A 1 133 ? -45.455 15.479 0.692 1.00 28.44 ? 145 ALA A HB2 1 ATOM 1860 H HB3 . ALA A 1 133 ? -45.906 15.447 -0.832 1.00 28.44 ? 145 ALA A HB3 1 ATOM 1861 N N . LEU A 1 134 ? -49.331 15.744 -0.234 1.00 22.14 ? 146 LEU A N 1 ATOM 1862 C CA . LEU A 1 134 ? -50.463 16.043 -1.088 1.00 22.13 ? 146 LEU A CA 1 ATOM 1863 C C . LEU A 1 134 ? -50.041 16.955 -2.226 1.00 21.64 ? 146 LEU A C 1 ATOM 1864 O O . LEU A 1 134 ? -49.240 17.884 -2.042 1.00 22.02 ? 146 LEU A O 1 ATOM 1865 C CB . LEU A 1 134 ? -51.546 16.756 -0.287 1.00 22.34 ? 146 LEU A CB 1 ATOM 1866 C CG . LEU A 1 134 ? -52.365 15.877 0.642 1.00 23.77 ? 146 LEU A CG 1 ATOM 1867 C CD1 . LEU A 1 134 ? -53.126 16.711 1.648 1.00 25.12 ? 146 LEU A CD1 1 ATOM 1868 C CD2 . LEU A 1 134 ? -53.330 14.996 -0.179 1.00 24.20 ? 146 LEU A CD2 1 ATOM 1869 H H . LEU A 1 134 ? -49.293 16.224 0.479 1.00 26.57 ? 146 LEU A H 1 ATOM 1870 H HA . LEU A 1 134 ? -50.829 15.224 -1.456 1.00 26.55 ? 146 LEU A HA 1 ATOM 1871 H HB2 . LEU A 1 134 ? -51.124 17.440 0.257 1.00 26.81 ? 146 LEU A HB2 1 ATOM 1872 H HB3 . LEU A 1 134 ? -52.162 17.174 -0.909 1.00 26.81 ? 146 LEU A HB3 1 ATOM 1873 H HG . LEU A 1 134 ? -51.767 15.291 1.131 1.00 28.52 ? 146 LEU A HG 1 ATOM 1874 H HD11 . LEU A 1 134 ? -53.637 16.122 2.224 1.00 30.14 ? 146 LEU A HD11 1 ATOM 1875 H HD12 . LEU A 1 134 ? -52.494 17.224 2.176 1.00 30.14 ? 146 LEU A HD12 1 ATOM 1876 H HD13 . LEU A 1 134 ? -53.724 17.310 1.173 1.00 30.14 ? 146 LEU A HD13 1 ATOM 1877 H HD21 . LEU A 1 134 ? -53.845 14.442 0.428 1.00 29.04 ? 146 LEU A HD21 1 ATOM 1878 H HD22 . LEU A 1 134 ? -53.924 15.570 -0.689 1.00 29.04 ? 146 LEU A HD22 1 ATOM 1879 H HD23 . LEU A 1 134 ? -52.813 14.438 -0.780 1.00 29.04 ? 146 LEU A HD23 1 ATOM 1880 N N . GLY A 1 135 ? -50.604 16.697 -3.404 1.00 22.06 ? 147 GLY A N 1 ATOM 1881 C CA . GLY A 1 135 ? -50.406 17.565 -4.549 1.00 22.50 ? 147 GLY A CA 1 ATOM 1882 C C . GLY A 1 135 ? -51.644 18.428 -4.816 1.00 22.24 ? 147 GLY A C 1 ATOM 1883 O O . GLY A 1 135 ? -52.700 18.245 -4.212 1.00 22.83 ? 147 GLY A O 1 ATOM 1884 H H . GLY A 1 135 ? -51.108 16.019 -3.562 1.00 26.48 ? 147 GLY A H 1 ATOM 1885 H HA2 . GLY A 1 135 ? -49.648 18.149 -4.390 1.00 27.00 ? 147 GLY A HA2 1 ATOM 1886 H HA3 . GLY A 1 135 ? -50.225 17.029 -5.338 1.00 27.00 ? 147 GLY A HA3 1 ATOM 1887 N N . ASN A 1 136 ? -51.496 19.398 -5.741 1.00 21.34 ? 148 ASN A N 1 ATOM 1888 C CA . ASN A 1 136 ? -52.600 20.328 -5.971 1.00 22.37 ? 148 ASN A CA 1 ATOM 1889 C C . ASN A 1 136 ? -53.792 19.641 -6.629 1.00 22.95 ? 148 ASN A C 1 ATOM 1890 O O . ASN A 1 136 ? -54.925 20.110 -6.458 1.00 25.23 ? 148 ASN A O 1 ATOM 1891 C CB . ASN A 1 136 ? -52.157 21.560 -6.778 1.00 23.16 ? 148 ASN A CB 1 ATOM 1892 C CG . ASN A 1 136 ? -51.439 21.196 -8.049 1.00 23.17 ? 148 ASN A CG 1 ATOM 1893 O OD1 . ASN A 1 136 ? -50.381 20.576 -8.012 1.00 23.72 ? 148 ASN A OD1 1 ATOM 1894 N ND2 . ASN A 1 136 ? -52.008 21.567 -9.194 1.00 24.95 ? 148 ASN A ND2 1 ATOM 1895 H H . ASN A 1 136 ? -50.796 19.528 -6.224 1.00 25.61 ? 148 ASN A H 1 ATOM 1896 H HA . ASN A 1 136 ? -52.902 20.650 -5.108 1.00 26.85 ? 148 ASN A HA 1 ATOM 1897 H HB2 . ASN A 1 136 ? -52.940 22.081 -7.015 1.00 27.80 ? 148 ASN A HB2 1 ATOM 1898 H HB3 . ASN A 1 136 ? -51.555 22.093 -6.236 1.00 27.80 ? 148 ASN A HB3 1 ATOM 1899 H HD21 . ASN A 1 136 ? -51.630 21.378 -9.942 1.00 29.94 ? 148 ASN A HD21 1 ATOM 1900 H HD22 . ASN A 1 136 ? -52.754 21.995 -9.184 1.00 29.94 ? 148 ASN A HD22 1 ATOM 1901 N N . HIS A 1 137 ? -53.575 18.522 -7.347 1.00 22.80 ? 149 HIS A N 1 ATOM 1902 C CA . HIS A 1 137 ? -54.685 17.756 -7.899 1.00 22.69 ? 149 HIS A CA 1 ATOM 1903 C C . HIS A 1 137 ? -55.289 16.790 -6.894 1.00 23.70 ? 149 HIS A C 1 ATOM 1904 O O . HIS A 1 137 ? -56.327 16.173 -7.194 1.00 24.65 ? 149 HIS A O 1 ATOM 1905 C CB . HIS A 1 137 ? -54.267 16.995 -9.160 1.00 23.32 ? 149 HIS A CB 1 ATOM 1906 C CG . HIS A 1 137 ? -54.019 17.879 -10.321 1.00 23.91 ? 149 HIS A CG 1 ATOM 1907 N ND1 . HIS A 1 137 ? -55.000 18.186 -11.240 1.00 24.16 ? 149 HIS A ND1 1 ATOM 1908 C CD2 . HIS A 1 137 ? -52.925 18.587 -10.673 1.00 23.08 ? 149 HIS A CD2 1 ATOM 1909 C CE1 . HIS A 1 137 ? -54.499 19.017 -12.133 1.00 24.96 ? 149 HIS A CE1 1 ATOM 1910 N NE2 . HIS A 1 137 ? -53.242 19.267 -11.819 1.00 24.46 ? 149 HIS A NE2 1 ATOM 1911 H H . HIS A 1 137 ? -52.798 18.197 -7.522 1.00 27.36 ? 149 HIS A H 1 ATOM 1912 H HA . HIS A 1 137 ? -55.384 18.377 -8.156 1.00 27.22 ? 149 HIS A HA 1 ATOM 1913 H HB2 . HIS A 1 137 ? -53.449 16.507 -8.977 1.00 27.98 ? 149 HIS A HB2 1 ATOM 1914 H HB3 . HIS A 1 137 ? -54.973 16.375 -9.403 1.00 27.98 ? 149 HIS A HB3 1 ATOM 1915 H HD1 . HIS A 1 137 ? -55.802 17.874 -11.241 1.00 28.99 ? 149 HIS A HD1 1 ATOM 1916 H HD2 . HIS A 1 137 ? -52.102 18.586 -10.240 1.00 27.69 ? 149 HIS A HD2 1 ATOM 1917 H HE1 . HIS A 1 137 ? -54.954 19.363 -12.867 1.00 29.95 ? 149 HIS A HE1 1 ATOM 1918 H HE2 . HIS A 1 137 ? -52.712 19.787 -12.253 1.00 29.35 ? 149 HIS A HE2 1 ATOM 1919 N N . ASP A 1 138 ? -54.708 16.681 -5.703 1.00 23.41 ? 150 ASP A N 1 ATOM 1920 C CA . ASP A 1 138 ? -55.193 15.746 -4.680 1.00 23.18 ? 150 ASP A CA 1 ATOM 1921 C C . ASP A 1 138 ? -56.279 16.387 -3.829 1.00 24.25 ? 150 ASP A C 1 ATOM 1922 O O . ASP A 1 138 ? -56.267 16.312 -2.604 1.00 25.06 ? 150 ASP A O 1 ATOM 1923 C CB . ASP A 1 138 ? -54.021 15.278 -3.816 1.00 23.23 ? 150 ASP A CB 1 ATOM 1924 C CG . ASP A 1 138 ? -53.028 14.423 -4.582 1.00 23.17 ? 150 ASP A CG 1 ATOM 1925 O OD1 . ASP A 1 138 ? -53.441 13.705 -5.494 1.00 24.16 ? 150 ASP A OD1 1 ATOM 1926 O OD2 . ASP A 1 138 ? -51.836 14.414 -4.219 1.00 23.86 ? 150 ASP A OD2 1 ATOM 1927 H H . ASP A 1 138 ? -54.023 17.139 -5.458 1.00 28.10 ? 150 ASP A H 1 ATOM 1928 H HA . ASP A 1 138 ? -55.573 14.968 -5.116 1.00 27.81 ? 150 ASP A HA 1 ATOM 1929 H HB2 . ASP A 1 138 ? -53.549 16.054 -3.477 1.00 27.88 ? 150 ASP A HB2 1 ATOM 1930 H HB3 . ASP A 1 138 ? -54.364 14.750 -3.078 1.00 27.88 ? 150 ASP A HB3 1 ATOM 1931 N N . TYR A 1 139 ? -57.229 17.029 -4.494 1.00 25.02 ? 151 TYR A N 1 ATOM 1932 C CA . TYR A 1 139 ? -58.300 17.778 -3.842 1.00 25.59 ? 151 TYR A CA 1 ATOM 1933 C C . TYR A 1 139 ? -59.351 18.033 -4.897 1.00 26.15 ? 151 TYR A C 1 ATOM 1934 O O . TYR A 1 139 ? -59.025 18.138 -6.088 1.00 25.61 ? 151 TYR A O 1 ATOM 1935 C CB . TYR A 1 139 ? -57.830 19.121 -3.223 1.00 24.73 ? 151 TYR A CB 1 ATOM 1936 C CG . TYR A 1 139 ? -58.758 19.524 -2.123 1.00 23.82 ? 151 TYR A CG 1 ATOM 1937 C CD1 . TYR A 1 139 ? -58.653 18.926 -0.875 1.00 25.53 ? 151 TYR A CD1 1 ATOM 1938 C CD2 . TYR A 1 139 ? -59.809 20.405 -2.348 1.00 24.26 ? 151 TYR A CD2 1 ATOM 1939 C CE1 . TYR A 1 139 ? -59.531 19.216 0.132 1.00 25.65 ? 151 TYR A CE1 1 ATOM 1940 C CE2 . TYR A 1 139 ? -60.714 20.705 -1.305 1.00 25.31 ? 151 TYR A CE2 1 ATOM 1941 C CZ . TYR A 1 139 ? -60.551 20.101 -0.086 1.00 27.10 ? 151 TYR A CZ 1 ATOM 1942 O OH . TYR A 1 139 ? -61.419 20.349 0.956 1.00 29.48 ? 151 TYR A OH 1 ATOM 1943 H H . TYR A 1 139 ? -57.278 17.048 -5.353 1.00 30.03 ? 151 TYR A H 1 ATOM 1944 H HA . TYR A 1 139 ? -58.693 17.236 -3.140 1.00 30.71 ? 151 TYR A HA 1 ATOM 1945 H HB2 . TYR A 1 139 ? -56.939 19.015 -2.854 1.00 29.68 ? 151 TYR A HB2 1 ATOM 1946 H HB3 . TYR A 1 139 ? -57.837 19.812 -3.903 1.00 29.68 ? 151 TYR A HB3 1 ATOM 1947 H HD1 . TYR A 1 139 ? -57.969 18.316 -0.720 1.00 30.63 ? 151 TYR A HD1 1 ATOM 1948 H HD2 . TYR A 1 139 ? -59.913 20.801 -3.183 1.00 29.11 ? 151 TYR A HD2 1 ATOM 1949 H HE1 . TYR A 1 139 ? -59.434 18.812 0.964 1.00 30.77 ? 151 TYR A HE1 1 ATOM 1950 H HE2 . TYR A 1 139 ? -61.413 21.303 -1.445 1.00 30.37 ? 151 TYR A HE2 1 ATOM 1951 H HH . TYR A 1 139 ? -62.004 20.903 0.718 1.00 35.38 ? 151 TYR A HH 1 ATOM 1952 N N . TRP A 1 140 ? -60.606 18.142 -4.457 1.00 27.23 ? 152 TRP A N 1 ATOM 1953 C CA . TRP A 1 140 ? -61.678 18.550 -5.356 1.00 27.71 ? 152 TRP A CA 1 ATOM 1954 C C . TRP A 1 140 ? -62.391 19.794 -4.822 1.00 29.02 ? 152 TRP A C 1 ATOM 1955 O O . TRP A 1 140 ? -62.860 19.828 -3.678 1.00 30.84 ? 152 TRP A O 1 ATOM 1956 C CB . TRP A 1 140 ? -62.725 17.455 -5.616 1.00 27.34 ? 152 TRP A CB 1 ATOM 1957 C CG . TRP A 1 140 ? -63.658 17.880 -6.730 1.00 28.94 ? 152 TRP A CG 1 ATOM 1958 C CD1 . TRP A 1 140 ? -63.451 17.733 -8.088 1.00 29.76 ? 152 TRP A CD1 1 ATOM 1959 C CD2 . TRP A 1 140 ? -64.902 18.554 -6.588 1.00 31.42 ? 152 TRP A CD2 1 ATOM 1960 N NE1 . TRP A 1 140 ? -64.498 18.267 -8.776 1.00 30.44 ? 152 TRP A NE1 1 ATOM 1961 C CE2 . TRP A 1 140 ? -65.403 18.783 -7.877 1.00 32.65 ? 152 TRP A CE2 1 ATOM 1962 C CE3 . TRP A 1 140 ? -65.640 19.006 -5.484 1.00 33.33 ? 152 TRP A CE3 1 ATOM 1963 C CZ2 . TRP A 1 140 ? -66.613 19.432 -8.098 1.00 34.74 ? 152 TRP A CZ2 1 ATOM 1964 C CZ3 . TRP A 1 140 ? -66.858 19.640 -5.710 1.00 35.19 ? 152 TRP A CZ3 1 ATOM 1965 C CH2 . TRP A 1 140 ? -67.320 19.859 -7.007 1.00 35.74 ? 152 TRP A CH2 1 ATOM 1966 H H . TRP A 1 140 ? -60.858 17.987 -3.649 1.00 32.68 ? 152 TRP A H 1 ATOM 1967 H HA . TRP A 1 140 ? -61.286 18.785 -6.212 1.00 33.25 ? 152 TRP A HA 1 ATOM 1968 H HB2 . TRP A 1 140 ? -62.279 16.636 -5.883 1.00 32.81 ? 152 TRP A HB2 1 ATOM 1969 H HB3 . TRP A 1 140 ? -63.250 17.311 -4.813 1.00 32.81 ? 152 TRP A HB3 1 ATOM 1970 H HD1 . TRP A 1 140 ? -62.710 17.324 -8.474 1.00 35.71 ? 152 TRP A HD1 1 ATOM 1971 H HE1 . TRP A 1 140 ? -64.580 18.281 -9.632 1.00 36.53 ? 152 TRP A HE1 1 ATOM 1972 H HE3 . TRP A 1 140 ? -65.329 18.872 -4.619 1.00 39.99 ? 152 TRP A HE3 1 ATOM 1973 H HZ2 . TRP A 1 140 ? -66.934 19.567 -8.960 1.00 41.69 ? 152 TRP A HZ2 1 ATOM 1974 H HZ3 . TRP A 1 140 ? -67.358 19.944 -4.987 1.00 42.23 ? 152 TRP A HZ3 1 ATOM 1975 H HH2 . TRP A 1 140 ? -68.139 20.281 -7.133 1.00 42.89 ? 152 TRP A HH2 1 ATOM 1976 N N . PRO A 1 141 ? -62.479 20.835 -5.640 1.00 30.55 ? 153 PRO A N 1 ATOM 1977 C CA . PRO A 1 141 ? -61.847 21.059 -6.936 1.00 30.70 ? 153 PRO A CA 1 ATOM 1978 C C . PRO A 1 141 ? -60.342 21.204 -6.802 1.00 28.59 ? 153 PRO A C 1 ATOM 1979 O O . PRO A 1 141 ? -59.810 21.582 -5.730 1.00 28.08 ? 153 PRO A O 1 ATOM 1980 C CB . PRO A 1 141 ? -62.485 22.367 -7.420 1.00 33.35 ? 153 PRO A CB 1 ATOM 1981 C CG . PRO A 1 141 ? -63.056 22.986 -6.266 1.00 34.21 ? 153 PRO A CG 1 ATOM 1982 C CD . PRO A 1 141 ? -63.351 21.949 -5.252 1.00 32.09 ? 153 PRO A CD 1 ATOM 1983 H HA . PRO A 1 141 ? -62.057 20.341 -7.553 1.00 36.84 ? 153 PRO A HA 1 ATOM 1984 H HB2 . PRO A 1 141 ? -61.802 22.936 -7.808 1.00 40.02 ? 153 PRO A HB2 1 ATOM 1985 H HB3 . PRO A 1 141 ? -63.173 22.168 -8.074 1.00 40.02 ? 153 PRO A HB3 1 ATOM 1986 H HG2 . PRO A 1 141 ? -62.423 23.628 -5.908 1.00 41.05 ? 153 PRO A HG2 1 ATOM 1987 H HG3 . PRO A 1 141 ? -63.874 23.438 -6.525 1.00 41.05 ? 153 PRO A HG3 1 ATOM 1988 H HD2 . PRO A 1 141 ? -63.119 22.267 -4.365 1.00 38.51 ? 153 PRO A HD2 1 ATOM 1989 H HD3 . PRO A 1 141 ? -64.283 21.682 -5.302 1.00 38.51 ? 153 PRO A HD3 1 ATOM 1990 N N . GLN A 1 142 ? -59.642 20.912 -7.897 1.00 26.83 ? 154 GLN A N 1 ATOM 1991 C CA . GLN A 1 142 ? -58.198 20.976 -7.866 1.00 26.23 ? 154 GLN A CA 1 ATOM 1992 C C . GLN A 1 142 ? -57.742 22.352 -7.410 1.00 24.06 ? 154 GLN A C 1 ATOM 1993 O O . GLN A 1 142 ? -58.392 23.379 -7.670 1.00 24.47 ? 154 GLN A O 1 ATOM 1994 C CB . GLN A 1 142 ? -57.628 20.664 -9.254 1.00 27.11 ? 154 GLN A CB 1 ATOM 1995 C CG . GLN A 1 142 ? -57.926 21.683 -10.321 1.00 27.22 ? 154 GLN A CG 1 ATOM 1996 C CD . GLN A 1 142 ? -57.080 21.452 -11.565 1.00 29.70 ? 154 GLN A CD 1 ATOM 1997 O OE1 . GLN A 1 142 ? -57.439 20.658 -12.425 1.00 32.63 ? 154 GLN A OE1 1 ATOM 1998 N NE2 . GLN A 1 142 ? -55.939 22.127 -11.653 1.00 30.22 ? 154 GLN A NE2 1 ATOM 1999 H H . GLN A 1 142 ? -59.978 20.679 -8.653 1.00 32.20 ? 154 GLN A H 1 ATOM 2000 H HA . GLN A 1 142 ? -57.859 20.317 -7.240 1.00 31.47 ? 154 GLN A HA 1 ATOM 2001 H HB2 . GLN A 1 142 ? -56.663 20.594 -9.180 1.00 32.53 ? 154 GLN A HB2 1 ATOM 2002 H HB3 . GLN A 1 142 ? -57.992 19.816 -9.552 1.00 32.53 ? 154 GLN A HB3 1 ATOM 2003 H HG2 . GLN A 1 142 ? -58.860 21.618 -10.572 1.00 32.66 ? 154 GLN A HG2 1 ATOM 2004 H HG3 . GLN A 1 142 ? -57.730 22.569 -9.980 1.00 32.66 ? 154 GLN A HG3 1 ATOM 2005 H HE21 . GLN A 1 142 ? -55.709 22.666 -11.022 1.00 36.27 ? 154 GLN A HE21 1 ATOM 2006 H HE22 . GLN A 1 142 ? -55.431 22.027 -12.339 1.00 36.27 ? 154 GLN A HE22 1 ATOM 2007 N N . ASP A 1 143 ? -56.619 22.359 -6.706 1.00 24.59 ? 155 ASP A N 1 ATOM 2008 C CA . ASP A 1 143 ? -55.895 23.539 -6.265 1.00 24.56 ? 155 ASP A CA 1 ATOM 2009 C C . ASP A 1 143 ? -56.513 24.196 -5.034 1.00 25.08 ? 155 ASP A C 1 ATOM 2010 O O . ASP A 1 143 ? -55.853 25.028 -4.415 1.00 25.69 ? 155 ASP A O 1 ATOM 2011 C CB . ASP A 1 143 ? -55.752 24.607 -7.363 1.00 27.44 ? 155 ASP A CB 1 ATOM 2012 C CG . ASP A 1 143 ? -55.200 24.052 -8.661 1.00 28.94 ? 155 ASP A CG 1 ATOM 2013 O OD1 . ASP A 1 143 ? -54.436 23.066 -8.606 1.00 30.40 ? 155 ASP A OD1 1 ATOM 2014 O OD2 . ASP A 1 143 ? -55.533 24.611 -9.743 1.00 28.44 ? 155 ASP A OD2 1 ATOM 2015 H H . ASP A 1 143 ? -56.231 21.634 -6.456 1.00 29.51 ? 155 ASP A H 1 ATOM 2016 H HA . ASP A 1 143 ? -54.998 23.264 -6.019 1.00 29.47 ? 155 ASP A HA 1 ATOM 2017 H HB2 . ASP A 1 143 ? -56.624 24.989 -7.548 1.00 32.92 ? 155 ASP A HB2 1 ATOM 2018 H HB3 . ASP A 1 143 ? -55.147 25.299 -7.053 1.00 32.92 ? 155 ASP A HB3 1 ATOM 2019 N N . GLN A 1 144 ? -57.740 23.855 -4.649 1.00 24.13 ? 156 GLN A N 1 ATOM 2020 C CA . GLN A 1 144 ? -58.446 24.621 -3.618 1.00 25.74 ? 156 GLN A CA 1 ATOM 2021 C C . GLN A 1 144 ? -58.293 23.970 -2.250 1.00 25.31 ? 156 GLN A C 1 ATOM 2022 O O . GLN A 1 144 ? -59.259 23.757 -1.513 1.00 26.50 ? 156 GLN A O 1 ATOM 2023 C CB . GLN A 1 144 ? -59.915 24.795 -4.006 1.00 28.49 ? 156 GLN A CB 1 ATOM 2024 C CG . GLN A 1 144 ? -60.097 25.378 -5.355 1.00 31.67 ? 156 GLN A CG 1 ATOM 2025 C CD . GLN A 1 144 ? -59.264 26.618 -5.552 1.00 34.74 ? 156 GLN A CD 1 ATOM 2026 O OE1 . GLN A 1 144 ? -59.049 27.367 -4.624 1.00 35.22 ? 156 GLN A OE1 1 ATOM 2027 N NE2 . GLN A 1 144 ? -58.823 26.860 -6.776 1.00 36.53 ? 156 GLN A NE2 1 ATOM 2028 H H . GLN A 1 144 ? -58.185 23.191 -4.965 1.00 28.96 ? 156 GLN A H 1 ATOM 2029 H HA . GLN A 1 144 ? -58.051 25.505 -3.566 1.00 30.88 ? 156 GLN A HA 1 ATOM 2030 H HB2 . GLN A 1 144 ? -60.348 23.927 -3.995 1.00 34.19 ? 156 GLN A HB2 1 ATOM 2031 H HB3 . GLN A 1 144 ? -60.341 25.386 -3.366 1.00 34.19 ? 156 GLN A HB3 1 ATOM 2032 H HG2 . GLN A 1 144 ? -59.830 24.726 -6.022 1.00 38.01 ? 156 GLN A HG2 1 ATOM 2033 H HG3 . GLN A 1 144 ? -61.029 25.617 -5.476 1.00 38.01 ? 156 GLN A HG3 1 ATOM 2034 H HE21 . GLN A 1 144 ? -59.015 26.319 -7.417 1.00 43.84 ? 156 GLN A HE21 1 ATOM 2035 H HE22 . GLN A 1 144 ? -58.344 27.557 -6.931 1.00 43.84 ? 156 GLN A HE22 1 ATOM 2036 N N . LEU A 1 145 ? -57.053 23.672 -1.876 1.00 25.10 ? 157 LEU A N 1 ATOM 2037 C CA . LEU A 1 145 ? -56.813 22.926 -0.645 1.00 25.71 ? 157 LEU A CA 1 ATOM 2038 C C . LEU A 1 145 ? -57.036 23.862 0.534 1.00 25.57 ? 157 LEU A C 1 ATOM 2039 O O . LEU A 1 145 ? -56.481 24.967 0.545 1.00 25.24 ? 157 LEU A O 1 ATOM 2040 C CB . LEU A 1 145 ? -55.403 22.352 -0.604 1.00 24.75 ? 157 LEU A CB 1 ATOM 2041 C CG . LEU A 1 145 ? -55.253 21.060 -1.438 1.00 26.57 ? 157 LEU A CG 1 ATOM 2042 C CD1 . LEU A 1 145 ? -55.090 21.390 -2.948 1.00 27.10 ? 157 LEU A CD1 1 ATOM 2043 C CD2 . LEU A 1 145 ? -54.154 20.244 -0.977 1.00 28.25 ? 157 LEU A CD2 1 ATOM 2044 H H . LEU A 1 145 ? -56.343 23.887 -2.310 1.00 30.12 ? 157 LEU A H 1 ATOM 2045 H HA . LEU A 1 145 ? -57.446 22.193 -0.581 1.00 30.85 ? 157 LEU A HA 1 ATOM 2046 H HB2 . LEU A 1 145 ? -54.785 23.010 -0.957 1.00 29.69 ? 157 LEU A HB2 1 ATOM 2047 H HB3 . LEU A 1 145 ? -55.175 22.142 0.316 1.00 29.69 ? 157 LEU A HB3 1 ATOM 2048 H HG . LEU A 1 145 ? -56.064 20.537 -1.341 1.00 31.88 ? 157 LEU A HG 1 ATOM 2049 H HD11 . LEU A 1 145 ? -54.998 20.561 -3.443 1.00 32.52 ? 157 LEU A HD11 1 ATOM 2050 H HD12 . LEU A 1 145 ? -55.874 21.873 -3.252 1.00 32.52 ? 157 LEU A HD12 1 ATOM 2051 H HD13 . LEU A 1 145 ? -54.297 21.937 -3.067 1.00 32.52 ? 157 LEU A HD13 1 ATOM 2052 H HD21 . LEU A 1 145 ? -54.100 19.448 -1.529 1.00 33.90 ? 157 LEU A HD21 1 ATOM 2053 H HD22 . LEU A 1 145 ? -53.332 20.753 -1.048 1.00 33.90 ? 157 LEU A HD22 1 ATOM 2054 H HD23 . LEU A 1 145 ? -54.311 19.996 -0.052 1.00 33.90 ? 157 LEU A HD23 1 ATOM 2055 N N . PRO A 1 146 ? -57.824 23.469 1.535 1.00 25.03 ? 158 PRO A N 1 ATOM 2056 C CA . PRO A 1 146 ? -58.269 24.414 2.565 1.00 26.33 ? 158 PRO A CA 1 ATOM 2057 C C . PRO A 1 146 ? -57.318 24.509 3.757 1.00 25.45 ? 158 PRO A C 1 ATOM 2058 O O . PRO A 1 146 ? -56.380 23.718 3.917 1.00 24.84 ? 158 PRO A O 1 ATOM 2059 C CB . PRO A 1 146 ? -59.612 23.829 3.017 1.00 27.64 ? 158 PRO A CB 1 ATOM 2060 C CG . PRO A 1 146 ? -59.436 22.329 2.857 1.00 26.71 ? 158 PRO A CG 1 ATOM 2061 C CD . PRO A 1 146 ? -58.528 22.171 1.627 1.00 26.84 ? 158 PRO A CD 1 ATOM 2062 H HA . PRO A 1 146 ? -58.408 25.296 2.186 1.00 31.60 ? 158 PRO A HA 1 ATOM 2063 H HB2 . PRO A 1 146 ? -59.777 24.060 3.944 1.00 33.17 ? 158 PRO A HB2 1 ATOM 2064 H HB3 . PRO A 1 146 ? -60.323 24.157 2.445 1.00 33.17 ? 158 PRO A HB3 1 ATOM 2065 H HG2 . PRO A 1 146 ? -59.011 21.962 3.648 1.00 32.05 ? 158 PRO A HG2 1 ATOM 2066 H HG3 . PRO A 1 146 ? -60.298 21.912 2.704 1.00 32.05 ? 158 PRO A HG3 1 ATOM 2067 H HD2 . PRO A 1 146 ? -57.891 21.452 1.769 1.00 32.20 ? 158 PRO A HD2 1 ATOM 2068 H HD3 . PRO A 1 146 ? -59.061 22.020 0.832 1.00 32.20 ? 158 PRO A HD3 1 ATOM 2069 N N . ILE A 1 147 ? -57.603 25.499 4.613 1.00 27.33 ? 159 ILE A N 1 ATOM 2070 C CA . ILE A 1 147 ? -56.780 25.792 5.786 1.00 27.77 ? 159 ILE A CA 1 ATOM 2071 C C . ILE A 1 147 ? -57.359 25.185 7.056 1.00 28.83 ? 159 ILE A C 1 ATOM 2072 O O . ILE A 1 147 ? -56.844 25.444 8.158 1.00 28.51 ? 159 ILE A O 1 ATOM 2073 C CB . ILE A 1 147 ? -56.508 27.297 5.964 1.00 30.21 ? 159 ILE A CB 1 ATOM 2074 C CG1 . ILE A 1 147 ? -57.802 28.066 6.215 1.00 31.96 ? 159 ILE A CG1 1 ATOM 2075 C CG2 . ILE A 1 147 ? -55.767 27.857 4.770 1.00 31.42 ? 159 ILE A CG2 1 ATOM 2076 C CD1 . ILE A 1 147 ? -57.563 29.495 6.674 1.00 34.08 ? 159 ILE A CD1 1 ATOM 2077 H H . ILE A 1 147 ? -58.281 26.022 4.531 1.00 32.80 ? 159 ILE A H 1 ATOM 2078 H HA . ILE A 1 147 ? -55.917 25.371 5.648 1.00 33.33 ? 159 ILE A HA 1 ATOM 2079 H HB . ILE A 1 147 ? -55.942 27.407 6.743 1.00 36.25 ? 159 ILE A HB 1 ATOM 2080 H HG12 . ILE A 1 147 ? -58.314 28.098 5.392 1.00 38.36 ? 159 ILE A HG12 1 ATOM 2081 H HG13 . ILE A 1 147 ? -58.310 27.611 6.904 1.00 38.36 ? 159 ILE A HG13 1 ATOM 2082 H HG21 . ILE A 1 147 ? -55.611 28.804 4.911 1.00 37.71 ? 159 ILE A HG21 1 ATOM 2083 H HG22 . ILE A 1 147 ? -54.921 27.393 4.677 1.00 37.71 ? 159 ILE A HG22 1 ATOM 2084 H HG23 . ILE A 1 147 ? -56.306 27.726 3.974 1.00 37.71 ? 159 ILE A HG23 1 ATOM 2085 H HD11 . ILE A 1 147 ? -58.419 29.928 6.816 1.00 40.89 ? 159 ILE A HD11 1 ATOM 2086 H HD12 . ILE A 1 147 ? -57.058 29.479 7.502 1.00 40.89 ? 159 ILE A HD12 1 ATOM 2087 H HD13 . ILE A 1 147 ? -57.062 29.966 5.990 1.00 40.89 ? 159 ILE A HD13 1 ATOM 2088 N N . VAL A 1 148 ? -58.406 24.367 6.923 1.00 30.17 ? 160 VAL A N 1 ATOM 2089 C CA . VAL A 1 148 ? -59.032 23.641 8.016 1.00 31.33 ? 160 VAL A CA 1 ATOM 2090 C C . VAL A 1 148 ? -59.302 22.219 7.544 1.00 29.90 ? 160 VAL A C 1 ATOM 2091 O O . VAL A 1 148 ? -59.116 21.880 6.373 1.00 29.66 ? 160 VAL A O 1 ATOM 2092 C CB . VAL A 1 148 ? -60.355 24.299 8.459 1.00 33.60 ? 160 VAL A CB 1 ATOM 2093 C CG1 . VAL A 1 148 ? -60.103 25.705 9.087 1.00 34.09 ? 160 VAL A CG1 1 ATOM 2094 C CG2 . VAL A 1 148 ? -61.320 24.373 7.280 1.00 33.60 ? 160 VAL A CG2 1 ATOM 2095 H H . VAL A 1 148 ? -58.785 24.215 6.166 1.00 36.20 ? 160 VAL A H 1 ATOM 2096 H HA . VAL A 1 148 ? -58.430 23.609 8.775 1.00 37.60 ? 160 VAL A HA 1 ATOM 2097 H HB . VAL A 1 148 ? -60.765 23.742 9.139 1.00 40.32 ? 160 VAL A HB 1 ATOM 2098 H HG11 . VAL A 1 148 ? -60.954 26.088 9.353 1.00 40.90 ? 160 VAL A HG11 1 ATOM 2099 H HG12 . VAL A 1 148 ? -59.528 25.606 9.861 1.00 40.90 ? 160 VAL A HG12 1 ATOM 2100 H HG13 . VAL A 1 148 ? -59.676 26.273 8.427 1.00 40.90 ? 160 VAL A HG13 1 ATOM 2101 H HG21 . VAL A 1 148 ? -62.145 24.788 7.574 1.00 40.32 ? 160 VAL A HG21 1 ATOM 2102 H HG22 . VAL A 1 148 ? -60.916 24.901 6.574 1.00 40.32 ? 160 VAL A HG22 1 ATOM 2103 H HG23 . VAL A 1 148 ? -61.497 23.474 6.961 1.00 40.32 ? 160 VAL A HG23 1 ATOM 2104 N N . THR A 1 149 ? -59.785 21.385 8.466 1.00 29.15 ? 161 THR A N 1 ATOM 2105 C CA . THR A 1 149 ? -59.979 19.988 8.123 1.00 30.60 ? 161 THR A CA 1 ATOM 2106 C C . THR A 1 149 ? -60.987 19.825 6.982 1.00 29.63 ? 161 THR A C 1 ATOM 2107 O O . THR A 1 149 ? -61.827 20.698 6.718 1.00 30.42 ? 161 THR A O 1 ATOM 2108 C CB . THR A 1 149 ? -60.383 19.188 9.356 1.00 32.47 ? 161 THR A CB 1 ATOM 2109 O OG1 . THR A 1 149 ? -60.279 17.785 9.057 1.00 34.15 ? 161 THR A OG1 1 ATOM 2110 C CG2 . THR A 1 149 ? -61.805 19.537 9.802 1.00 31.58 ? 161 THR A CG2 1 ATOM 2111 H H . THR A 1 149 ? -60.001 21.599 9.270 1.00 34.98 ? 161 THR A H 1 ATOM 2112 H HA . THR A 1 149 ? -59.132 19.630 7.812 1.00 36.71 ? 161 THR A HA 1 ATOM 2113 H HB . THR A 1 149 ? -59.779 19.401 10.085 1.00 38.97 ? 161 THR A HB 1 ATOM 2114 H HG1 . THR A 1 149 ? -59.489 17.594 8.846 1.00 40.98 ? 161 THR A HG1 1 ATOM 2115 H HG21 . THR A 1 149 ? -62.043 19.019 10.586 1.00 37.90 ? 161 THR A HG21 1 ATOM 2116 H HG22 . THR A 1 149 ? -61.861 20.481 10.018 1.00 37.90 ? 161 THR A HG22 1 ATOM 2117 H HG23 . THR A 1 149 ? -62.433 19.338 9.090 1.00 37.90 ? 161 THR A HG23 1 ATOM 2118 N N . SER A 1 150 ? -60.903 18.678 6.309 1.00 30.50 ? 162 SER A N 1 ATOM 2119 C CA . SER A 1 150 ? -61.724 18.404 5.140 1.00 30.34 ? 162 SER A CA 1 ATOM 2120 C C . SER A 1 150 ? -61.839 16.897 4.959 1.00 30.22 ? 162 SER A C 1 ATOM 2121 O O . SER A 1 150 ? -61.052 16.117 5.509 1.00 30.95 ? 162 SER A O 1 ATOM 2122 C CB . SER A 1 150 ? -61.113 19.031 3.883 1.00 30.69 ? 162 SER A CB 1 ATOM 2123 O OG . SER A 1 150 ? -59.877 18.403 3.550 1.00 30.21 ? 162 SER A OG 1 ATOM 2124 H H . SER A 1 150 ? -60.369 18.037 6.517 1.00 36.59 ? 162 SER A H 1 ATOM 2125 H HA . SER A 1 150 ? -62.613 18.770 5.271 1.00 36.40 ? 162 SER A HA 1 ATOM 2126 H HB2 . SER A 1 150 ? -61.731 18.923 3.144 1.00 36.83 ? 162 SER A HB2 1 ATOM 2127 H HB3 . SER A 1 150 ? -60.954 19.974 4.046 1.00 36.83 ? 162 SER A HB3 1 ATOM 2128 H HG . SER A 1 150 ? -59.331 18.489 4.182 1.00 36.26 ? 162 SER A HG 1 ATOM 2129 N N . LYS A 1 151 ? -62.820 16.501 4.152 1.00 30.09 ? 163 LYS A N 1 ATOM 2130 C CA . LYS A 1 151 ? -62.983 15.094 3.780 1.00 31.30 ? 163 LYS A CA 1 ATOM 2131 C C . LYS A 1 151 ? -61.710 14.492 3.202 1.00 30.51 ? 163 LYS A C 1 ATOM 2132 O O . LYS A 1 151 ? -61.336 13.366 3.552 1.00 31.65 ? 163 LYS A O 1 ATOM 2133 C CB . LYS A 1 151 ? -64.147 14.938 2.799 1.00 34.01 ? 163 LYS A CB 1 ATOM 2134 C CG . LYS A 1 151 ? -65.507 15.232 3.402 1.00 37.77 ? 163 LYS A CG 1 ATOM 2135 C CD . LYS A 1 151 ? -66.628 14.970 2.405 1.00 41.32 ? 163 LYS A CD 1 ATOM 2136 C CE . LYS A 1 151 ? -67.998 15.321 2.998 1.00 45.56 ? 163 LYS A CE 1 ATOM 2137 N NZ . LYS A 1 151 ? -68.846 16.081 2.023 1.00 48.53 ? 163 LYS A NZ 1 ATOM 2138 H H . LYS A 1 151 ? -63.406 17.026 3.805 1.00 36.11 ? 163 LYS A H 1 ATOM 2139 H HA . LYS A 1 151 ? -63.205 14.590 4.578 1.00 37.56 ? 163 LYS A HA 1 ATOM 2140 H HB2 . LYS A 1 151 ? -64.014 15.548 2.058 1.00 40.81 ? 163 LYS A HB2 1 ATOM 2141 H HB3 . LYS A 1 151 ? -64.160 14.024 2.474 1.00 40.81 ? 163 LYS A HB3 1 ATOM 2142 H HG2 . LYS A 1 151 ? -65.646 14.660 4.173 1.00 45.32 ? 163 LYS A HG2 1 ATOM 2143 H HG3 . LYS A 1 151 ? -65.546 16.165 3.664 1.00 45.32 ? 163 LYS A HG3 1 ATOM 2144 H HD2 . LYS A 1 151 ? -66.488 15.516 1.616 1.00 49.59 ? 163 LYS A HD2 1 ATOM 2145 H HD3 . LYS A 1 151 ? -66.631 14.029 2.167 1.00 49.59 ? 163 LYS A HD3 1 ATOM 2146 H HE2 . LYS A 1 151 ? -68.464 14.503 3.232 1.00 54.68 ? 163 LYS A HE2 1 ATOM 2147 H HE3 . LYS A 1 151 ? -67.873 15.873 3.786 1.00 54.68 ? 163 LYS A HE3 1 ATOM 2148 H HZ1 . LYS A 1 151 ? -69.634 16.273 2.391 1.00 58.24 ? 163 LYS A HZ1 1 ATOM 2149 H HZ2 . LYS A 1 151 ? -68.441 16.840 1.795 1.00 58.24 ? 163 LYS A HZ2 1 ATOM 2150 H HZ3 . LYS A 1 151 ? -68.979 15.593 1.291 1.00 58.24 ? 163 LYS A HZ3 1 ATOM 2151 N N . VAL A 1 152 ? -61.044 15.202 2.284 1.00 28.42 ? 164 VAL A N 1 ATOM 2152 C CA . VAL A 1 152 ? -59.810 14.673 1.705 1.00 25.84 ? 164 VAL A CA 1 ATOM 2153 C C . VAL A 1 152 ? -58.727 14.508 2.765 1.00 25.23 ? 164 VAL A C 1 ATOM 2154 O O . VAL A 1 152 ? -58.046 13.480 2.808 1.00 25.03 ? 164 VAL A O 1 ATOM 2155 C CB . VAL A 1 152 ? -59.346 15.516 0.504 1.00 25.96 ? 164 VAL A CB 1 ATOM 2156 C CG1 . VAL A 1 152 ? -57.942 15.117 0.077 1.00 26.95 ? 164 VAL A CG1 1 ATOM 2157 C CG2 . VAL A 1 152 ? -60.290 15.286 -0.693 1.00 26.45 ? 164 VAL A CG2 1 ATOM 2158 H H . VAL A 1 152 ? -61.280 15.974 1.988 1.00 34.11 ? 164 VAL A H 1 ATOM 2159 H HA . VAL A 1 152 ? -60.002 13.785 1.364 1.00 31.01 ? 164 VAL A HA 1 ATOM 2160 H HB . VAL A 1 152 ? -59.351 16.458 0.735 1.00 31.15 ? 164 VAL A HB 1 ATOM 2161 H HG11 . VAL A 1 152 ? -57.675 15.662 -0.679 1.00 32.34 ? 164 VAL A HG11 1 ATOM 2162 H HG12 . VAL A 1 152 ? -57.334 15.260 0.819 1.00 32.34 ? 164 VAL A HG12 1 ATOM 2163 H HG13 . VAL A 1 152 ? -57.943 14.180 -0.174 1.00 32.34 ? 164 VAL A HG13 1 ATOM 2164 H HG21 . VAL A 1 152 ? -59.987 15.823 -1.442 1.00 31.74 ? 164 VAL A HG21 1 ATOM 2165 H HG22 . VAL A 1 152 ? -60.274 14.346 -0.931 1.00 31.74 ? 164 VAL A HG22 1 ATOM 2166 H HG23 . VAL A 1 152 ? -61.189 15.548 -0.441 1.00 31.74 ? 164 VAL A HG23 1 ATOM 2167 N N . TYR A 1 153 ? -58.519 15.525 3.607 1.00 25.00 ? 165 TYR A N 1 ATOM 2168 C CA . TYR A 1 153 ? -57.471 15.438 4.616 1.00 25.62 ? 165 TYR A CA 1 ATOM 2169 C C . TYR A 1 153 ? -57.737 14.262 5.544 1.00 26.58 ? 165 TYR A C 1 ATOM 2170 O O . TYR A 1 153 ? -56.824 13.500 5.881 1.00 26.03 ? 165 TYR A O 1 ATOM 2171 C CB . TYR A 1 153 ? -57.416 16.738 5.430 1.00 26.56 ? 165 TYR A CB 1 ATOM 2172 C CG . TYR A 1 153 ? -56.891 17.966 4.709 1.00 26.90 ? 165 TYR A CG 1 ATOM 2173 C CD1 . TYR A 1 153 ? -56.234 17.888 3.483 1.00 25.33 ? 165 TYR A CD1 1 ATOM 2174 C CD2 . TYR A 1 153 ? -57.023 19.223 5.294 1.00 25.76 ? 165 TYR A CD2 1 ATOM 2175 C CE1 . TYR A 1 153 ? -55.744 19.029 2.875 1.00 25.11 ? 165 TYR A CE1 1 ATOM 2176 C CE2 . TYR A 1 153 ? -56.538 20.372 4.674 1.00 25.57 ? 165 TYR A CE2 1 ATOM 2177 C CZ . TYR A 1 153 ? -55.905 20.254 3.464 1.00 24.97 ? 165 TYR A CZ 1 ATOM 2178 O OH . TYR A 1 153 ? -55.429 21.364 2.806 1.00 24.78 ? 165 TYR A OH 1 ATOM 2179 H H . TYR A 1 153 ? -58.965 16.260 3.612 1.00 29.99 ? 165 TYR A H 1 ATOM 2180 H HA . TYR A 1 153 ? -56.613 15.306 4.185 1.00 30.74 ? 165 TYR A HA 1 ATOM 2181 H HB2 . TYR A 1 153 ? -58.313 16.944 5.734 1.00 31.88 ? 165 TYR A HB2 1 ATOM 2182 H HB3 . TYR A 1 153 ? -56.843 16.589 6.199 1.00 31.88 ? 165 TYR A HB3 1 ATOM 2183 H HD1 . TYR A 1 153 ? -56.119 17.062 3.073 1.00 30.40 ? 165 TYR A HD1 1 ATOM 2184 H HD2 . TYR A 1 153 ? -57.454 19.299 6.115 1.00 30.92 ? 165 TYR A HD2 1 ATOM 2185 H HE1 . TYR A 1 153 ? -55.321 18.966 2.049 1.00 30.13 ? 165 TYR A HE1 1 ATOM 2186 H HE2 . TYR A 1 153 ? -56.647 21.205 5.071 1.00 30.68 ? 165 TYR A HE2 1 ATOM 2187 H HH . TYR A 1 153 ? -55.583 22.054 3.259 1.00 29.74 ? 165 TYR A HH 1 ATOM 2188 N N . SER A 1 154 ? -58.996 14.076 5.926 1.00 27.63 ? 166 SER A N 1 ATOM 2189 C CA . SER A 1 154 ? -59.364 12.946 6.783 1.00 29.86 ? 166 SER A CA 1 ATOM 2190 C C . SER A 1 154 ? -59.147 11.612 6.085 1.00 29.84 ? 166 SER A C 1 ATOM 2191 O O . SER A 1 154 ? -58.672 10.648 6.709 1.00 30.76 ? 166 SER A O 1 ATOM 2192 C CB . SER A 1 154 ? -60.824 13.069 7.215 1.00 34.01 ? 166 SER A CB 1 ATOM 2193 O OG . SER A 1 154 ? -60.926 14.018 8.237 1.00 38.92 ? 166 SER A OG 1 ATOM 2194 H H . SER A 1 154 ? -59.654 14.584 5.707 1.00 33.16 ? 166 SER A H 1 ATOM 2195 H HA . SER A 1 154 ? -58.812 12.962 7.580 1.00 35.83 ? 166 SER A HA 1 ATOM 2196 H HB2 . SER A 1 154 ? -61.360 13.354 6.459 1.00 40.81 ? 166 SER A HB2 1 ATOM 2197 H HB3 . SER A 1 154 ? -61.135 12.210 7.543 1.00 40.81 ? 166 SER A HB3 1 ATOM 2198 H HG . SER A 1 154 ? -60.654 14.764 7.964 1.00 46.71 ? 166 SER A HG 1 ATOM 2199 N N . ALA A 1 155 ? -59.501 11.540 4.797 1.00 28.38 ? 167 ALA A N 1 ATOM 2200 C CA . ALA A 1 155 ? -59.386 10.292 4.053 1.00 28.33 ? 167 ALA A CA 1 ATOM 2201 C C . ALA A 1 155 ? -57.924 9.892 3.875 1.00 28.00 ? 167 ALA A C 1 ATOM 2202 O O . ALA A 1 155 ? -57.580 8.714 4.033 1.00 28.17 ? 167 ALA A O 1 ATOM 2203 C CB . ALA A 1 155 ? -60.077 10.431 2.697 1.00 29.90 ? 167 ALA A CB 1 ATOM 2204 H H . ALA A 1 155 ? -59.810 12.198 4.338 1.00 34.05 ? 167 ALA A H 1 ATOM 2205 H HA . ALA A 1 155 ? -59.833 9.586 4.547 1.00 34.00 ? 167 ALA A HA 1 ATOM 2206 H HB1 . ALA A 1 155 ? -59.992 9.594 2.213 1.00 35.88 ? 167 ALA A HB1 1 ATOM 2207 H HB2 . ALA A 1 155 ? -61.014 10.638 2.840 1.00 35.88 ? 167 ALA A HB2 1 ATOM 2208 H HB3 . ALA A 1 155 ? -59.652 11.146 2.198 1.00 35.88 ? 167 ALA A HB3 1 ATOM 2209 N N . VAL A 1 156 ? -57.043 10.854 3.551 1.00 27.47 ? 168 VAL A N 1 ATOM 2210 C CA . VAL A 1 156 ? -55.637 10.493 3.398 1.00 26.33 ? 168 VAL A CA 1 ATOM 2211 C C . VAL A 1 156 ? -55.007 10.192 4.753 1.00 26.46 ? 168 VAL A C 1 ATOM 2212 O O . VAL A 1 156 ? -54.081 9.382 4.843 1.00 26.70 ? 168 VAL A O 1 ATOM 2213 C CB . VAL A 1 156 ? -54.809 11.498 2.577 1.00 24.82 ? 168 VAL A CB 1 ATOM 2214 C CG1 . VAL A 1 156 ? -55.411 11.692 1.173 1.00 26.15 ? 168 VAL A CG1 1 ATOM 2215 C CG2 . VAL A 1 156 ? -54.679 12.816 3.313 1.00 24.74 ? 168 VAL A CG2 1 ATOM 2216 H H . VAL A 1 156 ? -57.229 11.684 3.422 1.00 32.97 ? 168 VAL A H 1 ATOM 2217 H HA . VAL A 1 156 ? -55.613 9.660 2.901 1.00 31.60 ? 168 VAL A HA 1 ATOM 2218 H HB . VAL A 1 156 ? -53.916 11.139 2.463 1.00 29.79 ? 168 VAL A HB 1 ATOM 2219 H HG11 . VAL A 1 156 ? -54.868 12.329 0.683 1.00 31.38 ? 168 VAL A HG11 1 ATOM 2220 H HG12 . VAL A 1 156 ? -55.418 10.839 0.712 1.00 31.38 ? 168 VAL A HG12 1 ATOM 2221 H HG13 . VAL A 1 156 ? -56.317 12.028 1.262 1.00 31.38 ? 168 VAL A HG13 1 ATOM 2222 H HG21 . VAL A 1 156 ? -54.155 13.428 2.773 1.00 29.69 ? 168 VAL A HG21 1 ATOM 2223 H HG22 . VAL A 1 156 ? -55.565 13.183 3.462 1.00 29.69 ? 168 VAL A HG22 1 ATOM 2224 H HG23 . VAL A 1 156 ? -54.237 12.661 4.162 1.00 29.69 ? 168 VAL A HG23 1 ATOM 2225 N N . ALA A 1 157 ? -55.499 10.807 5.825 1.00 27.01 ? 169 ALA A N 1 ATOM 2226 C CA . ALA A 1 157 ? -55.028 10.424 7.151 1.00 28.86 ? 169 ALA A CA 1 ATOM 2227 C C . ALA A 1 157 ? -55.336 8.964 7.431 1.00 30.79 ? 169 ALA A C 1 ATOM 2228 O O . ALA A 1 157 ? -54.497 8.242 7.989 1.00 32.72 ? 169 ALA A O 1 ATOM 2229 C CB . ALA A 1 157 ? -55.644 11.323 8.224 1.00 27.73 ? 169 ALA A CB 1 ATOM 2230 H H . ALA A 1 157 ? -56.090 11.432 5.814 1.00 32.41 ? 169 ALA A H 1 ATOM 2231 H HA . ALA A 1 157 ? -54.066 10.536 7.186 1.00 34.63 ? 169 ALA A HA 1 ATOM 2232 H HB1 . ALA A 1 157 ? -55.315 11.047 9.093 1.00 33.28 ? 169 ALA A HB1 1 ATOM 2233 H HB2 . ALA A 1 157 ? -55.388 12.242 8.049 1.00 33.28 ? 169 ALA A HB2 1 ATOM 2234 H HB3 . ALA A 1 157 ? -56.609 11.236 8.192 1.00 33.28 ? 169 ALA A HB3 1 ATOM 2235 N N . ASP A 1 158 ? -56.538 8.506 7.065 1.00 31.15 ? 170 ASP A N 1 ATOM 2236 C CA . ASP A 1 158 ? -56.863 7.087 7.223 1.00 31.56 ? 170 ASP A CA 1 ATOM 2237 C C . ASP A 1 158 ? -56.008 6.216 6.299 1.00 29.14 ? 170 ASP A C 1 ATOM 2238 O O . ASP A 1 158 ? -55.481 5.183 6.715 1.00 29.45 ? 170 ASP A O 1 ATOM 2239 C CB . ASP A 1 158 ? -58.355 6.841 6.958 1.00 35.96 ? 170 ASP A CB 1 ATOM 2240 C CG . ASP A 1 158 ? -59.262 7.457 8.029 1.00 43.12 ? 170 ASP A CG 1 ATOM 2241 O OD1 . ASP A 1 158 ? -58.799 7.627 9.172 1.00 45.81 ? 170 ASP A OD1 1 ATOM 2242 O OD2 . ASP A 1 158 ? -60.455 7.760 7.732 1.00 46.49 ? 170 ASP A OD2 1 ATOM 2243 H H . ASP A 1 158 ? -57.168 8.985 6.730 1.00 37.38 ? 170 ASP A H 1 ATOM 2244 H HA . ASP A 1 158 ? -56.676 6.823 8.137 1.00 37.87 ? 170 ASP A HA 1 ATOM 2245 H HB2 . ASP A 1 158 ? -58.593 7.233 6.103 1.00 43.16 ? 170 ASP A HB2 1 ATOM 2246 H HB3 . ASP A 1 158 ? -58.519 5.885 6.942 1.00 43.16 ? 170 ASP A HB3 1 ATOM 2247 N N . LEU A 1 159 ? -55.844 6.622 5.047 1.00 27.32 ? 171 LEU A N 1 ATOM 2248 C CA . LEU A 1 159 ? -55.091 5.800 4.109 1.00 27.83 ? 171 LEU A CA 1 ATOM 2249 C C . LEU A 1 159 ? -53.636 5.658 4.513 1.00 27.20 ? 171 LEU A C 1 ATOM 2250 O O . LEU A 1 159 ? -53.018 4.627 4.247 1.00 28.47 ? 171 LEU A O 1 ATOM 2251 C CB . LEU A 1 159 ? -55.116 6.437 2.727 1.00 28.12 ? 171 LEU A CB 1 ATOM 2252 C CG . LEU A 1 159 ? -56.430 6.378 1.968 1.00 28.88 ? 171 LEU A CG 1 ATOM 2253 C CD1 . LEU A 1 159 ? -56.339 7.277 0.726 1.00 27.89 ? 171 LEU A CD1 1 ATOM 2254 C CD2 . LEU A 1 159 ? -56.718 4.922 1.600 1.00 30.36 ? 171 LEU A CD2 1 ATOM 2255 H H . LEU A 1 159 ? -56.151 7.355 4.719 1.00 32.79 ? 171 LEU A H 1 ATOM 2256 H HA . LEU A 1 159 ? -55.488 4.916 4.054 1.00 33.40 ? 171 LEU A HA 1 ATOM 2257 H HB2 . LEU A 1 159 ? -54.882 7.374 2.822 1.00 33.74 ? 171 LEU A HB2 1 ATOM 2258 H HB3 . LEU A 1 159 ? -54.449 5.996 2.178 1.00 33.74 ? 171 LEU A HB3 1 ATOM 2259 H HG . LEU A 1 159 ? -57.148 6.703 2.534 1.00 34.65 ? 171 LEU A HG 1 ATOM 2260 H HD11 . LEU A 1 159 ? -57.180 7.237 0.245 1.00 33.47 ? 171 LEU A HD11 1 ATOM 2261 H HD12 . LEU A 1 159 ? -56.163 8.189 1.009 1.00 33.47 ? 171 LEU A HD12 1 ATOM 2262 H HD13 . LEU A 1 159 ? -55.618 6.961 0.160 1.00 33.47 ? 171 LEU A HD13 1 ATOM 2263 H HD21 . LEU A 1 159 ? -57.557 4.879 1.115 1.00 36.43 ? 171 LEU A HD21 1 ATOM 2264 H HD22 . LEU A 1 159 ? -55.997 4.588 1.044 1.00 36.43 ? 171 LEU A HD22 1 ATOM 2265 H HD23 . LEU A 1 159 ? -56.779 4.397 2.414 1.00 36.43 ? 171 LEU A HD23 1 ATOM 2266 N N . TRP A 1 160 ? -53.037 6.724 5.035 1.00 26.45 ? 172 TRP A N 1 ATOM 2267 C CA . TRP A 1 160 ? -51.602 6.744 5.278 1.00 26.43 ? 172 TRP A CA 1 ATOM 2268 C C . TRP A 1 160 ? -51.234 6.383 6.707 1.00 27.45 ? 172 TRP A C 1 ATOM 2269 O O . TRP A 1 160 ? -50.047 6.388 7.048 1.00 27.12 ? 172 TRP A O 1 ATOM 2270 C CB . TRP A 1 160 ? -51.025 8.108 4.873 1.00 25.35 ? 172 TRP A CB 1 ATOM 2271 C CG . TRP A 1 160 ? -51.270 8.397 3.389 1.00 24.93 ? 172 TRP A CG 1 ATOM 2272 C CD1 . TRP A 1 160 ? -51.560 7.482 2.403 1.00 24.28 ? 172 TRP A CD1 1 ATOM 2273 C CD2 . TRP A 1 160 ? -51.273 9.687 2.748 1.00 24.71 ? 172 TRP A CD2 1 ATOM 2274 N NE1 . TRP A 1 160 ? -51.719 8.124 1.198 1.00 23.63 ? 172 TRP A NE1 1 ATOM 2275 C CE2 . TRP A 1 160 ? -51.557 9.478 1.382 1.00 23.34 ? 172 TRP A CE2 1 ATOM 2276 C CE3 . TRP A 1 160 ? -51.053 11.002 3.201 1.00 24.03 ? 172 TRP A CE3 1 ATOM 2277 C CZ2 . TRP A 1 160 ? -51.621 10.534 0.469 1.00 23.42 ? 172 TRP A CZ2 1 ATOM 2278 C CZ3 . TRP A 1 160 ? -51.131 12.043 2.288 1.00 24.83 ? 172 TRP A CZ3 1 ATOM 2279 C CH2 . TRP A 1 160 ? -51.417 11.800 0.944 1.00 23.54 ? 172 TRP A CH2 1 ATOM 2280 H H . TRP A 1 160 ? -53.442 7.450 5.257 1.00 31.74 ? 172 TRP A H 1 ATOM 2281 H HA . TRP A 1 160 ? -51.191 6.079 4.704 1.00 31.72 ? 172 TRP A HA 1 ATOM 2282 H HB2 . TRP A 1 160 ? -51.453 8.805 5.394 1.00 30.42 ? 172 TRP A HB2 1 ATOM 2283 H HB3 . TRP A 1 160 ? -50.068 8.111 5.029 1.00 30.42 ? 172 TRP A HB3 1 ATOM 2284 H HD1 . TRP A 1 160 ? -51.623 6.563 2.530 1.00 29.14 ? 172 TRP A HD1 1 ATOM 2285 H HE1 . TRP A 1 160 ? -51.904 7.742 0.450 1.00 28.35 ? 172 TRP A HE1 1 ATOM 2286 H HE3 . TRP A 1 160 ? -50.868 11.170 4.097 1.00 28.84 ? 172 TRP A HE3 1 ATOM 2287 H HZ2 . TRP A 1 160 ? -51.812 10.382 -0.429 1.00 28.10 ? 172 TRP A HZ2 1 ATOM 2288 H HZ3 . TRP A 1 160 ? -50.988 12.916 2.576 1.00 29.80 ? 172 TRP A HZ3 1 ATOM 2289 H HH2 . TRP A 1 160 ? -51.454 12.516 0.353 1.00 28.25 ? 172 TRP A HH2 1 ATOM 2290 N N . LYS A 1 161 ? -52.218 6.020 7.530 1.00 27.47 ? 173 LYS A N 1 ATOM 2291 C CA . LYS A 1 161 ? -52.009 5.632 8.916 1.00 29.31 ? 173 LYS A CA 1 ATOM 2292 C C . LYS A 1 161 ? -50.976 4.521 9.085 1.00 28.41 ? 173 LYS A C 1 ATOM 2293 O O . LYS A 1 161 ? -50.280 4.524 10.106 1.00 28.12 ? 173 LYS A O 1 ATOM 2294 C CB . LYS A 1 161 ? -53.330 5.244 9.566 1.00 33.01 ? 173 LYS A CB 1 ATOM 2295 C CG . LYS A 1 161 ? -53.226 5.091 11.056 1.00 37.39 ? 173 LYS A CG 1 ATOM 2296 C CD . LYS A 1 161 ? -54.585 4.796 11.657 1.00 41.77 ? 173 LYS A CD 1 ATOM 2297 C CE . LYS A 1 161 ? -54.433 4.336 13.110 1.00 45.54 ? 173 LYS A CE 1 ATOM 2298 N NZ . LYS A 1 161 ? -55.702 3.811 13.686 1.00 47.88 ? 173 LYS A NZ 1 ATOM 2299 H H . LYS A 1 161 ? -53.045 5.991 7.294 1.00 32.97 ? 173 LYS A H 1 ATOM 2300 H HA . LYS A 1 161 ? -51.673 6.405 9.396 1.00 35.17 ? 173 LYS A HA 1 ATOM 2301 H HB2 . LYS A 1 161 ? -53.987 5.933 9.380 1.00 39.61 ? 173 LYS A HB2 1 ATOM 2302 H HB3 . LYS A 1 161 ? -53.626 4.396 9.198 1.00 39.61 ? 173 LYS A HB3 1 ATOM 2303 H HG2 . LYS A 1 161 ? -52.632 4.353 11.264 1.00 44.86 ? 173 LYS A HG2 1 ATOM 2304 H HG3 . LYS A 1 161 ? -52.892 5.915 11.442 1.00 44.86 ? 173 LYS A HG3 1 ATOM 2305 H HD2 . LYS A 1 161 ? -55.127 5.601 11.644 1.00 50.13 ? 173 LYS A HD2 1 ATOM 2306 H HD3 . LYS A 1 161 ? -55.016 4.088 11.153 1.00 50.13 ? 173 LYS A HD3 1 ATOM 2307 H HE2 . LYS A 1 161 ? -53.770 3.628 13.149 1.00 54.65 ? 173 LYS A HE2 1 ATOM 2308 H HE3 . LYS A 1 161 ? -54.146 5.088 13.651 1.00 54.65 ? 173 LYS A HE3 1 ATOM 2309 H HZ1 . LYS A 1 161 ? -55.570 3.555 14.528 1.00 57.46 ? 173 LYS A HZ1 1 ATOM 2310 H HZ2 . LYS A 1 161 ? -56.327 4.444 13.670 1.00 57.46 ? 173 LYS A HZ2 1 ATOM 2311 H HZ3 . LYS A 1 161 ? -55.985 3.113 13.213 1.00 57.46 ? 173 LYS A HZ3 1 ATOM 2312 N N . PRO A 1 162 ? -50.816 3.569 8.153 1.00 26.98 ? 174 PRO A N 1 ATOM 2313 C CA . PRO A 1 162 ? -49.769 2.551 8.365 1.00 26.29 ? 174 PRO A CA 1 ATOM 2314 C C . PRO A 1 162 ? -48.392 3.121 8.488 1.00 26.00 ? 174 PRO A C 1 ATOM 2315 O O . PRO A 1 162 ? -47.523 2.480 9.089 1.00 25.40 ? 174 PRO A O 1 ATOM 2316 C CB . PRO A 1 162 ? -49.891 1.639 7.136 1.00 26.59 ? 174 PRO A CB 1 ATOM 2317 C CG . PRO A 1 162 ? -51.319 1.775 6.716 1.00 27.92 ? 174 PRO A CG 1 ATOM 2318 C CD . PRO A 1 162 ? -51.668 3.221 6.998 1.00 28.37 ? 174 PRO A CD 1 ATOM 2319 H HA . PRO A 1 162 ? -49.967 2.034 9.162 1.00 31.55 ? 174 PRO A HA 1 ATOM 2320 H HB2 . PRO A 1 162 ? -49.294 1.948 6.437 1.00 31.91 ? 174 PRO A HB2 1 ATOM 2321 H HB3 . PRO A 1 162 ? -49.689 0.723 7.385 1.00 31.91 ? 174 PRO A HB3 1 ATOM 2322 H HG2 . PRO A 1 162 ? -51.403 1.579 5.770 1.00 33.51 ? 174 PRO A HG2 1 ATOM 2323 H HG3 . PRO A 1 162 ? -51.874 1.179 7.243 1.00 33.51 ? 174 PRO A HG3 1 ATOM 2324 H HD2 . PRO A 1 162 ? -51.445 3.776 6.234 1.00 34.04 ? 174 PRO A HD2 1 ATOM 2325 H HD3 . PRO A 1 162 ? -52.605 3.301 7.233 1.00 34.04 ? 174 PRO A HD3 1 ATOM 2326 N N . TRP A 1 163 ? -48.167 4.311 7.953 1.00 26.68 ? 175 TRP A N 1 ATOM 2327 C CA . TRP A 1 163 ? -46.846 4.905 7.874 1.00 26.20 ? 175 TRP A CA 1 ATOM 2328 C C . TRP A 1 163 ? -46.629 6.019 8.887 1.00 25.91 ? 175 TRP A C 1 ATOM 2329 O O . TRP A 1 163 ? -45.489 6.476 9.048 1.00 27.02 ? 175 TRP A O 1 ATOM 2330 C CB . TRP A 1 163 ? -46.675 5.500 6.471 1.00 24.78 ? 175 TRP A CB 1 ATOM 2331 C CG . TRP A 1 163 ? -46.766 4.478 5.398 1.00 25.79 ? 175 TRP A CG 1 ATOM 2332 C CD1 . TRP A 1 163 ? -46.288 3.190 5.442 1.00 26.84 ? 175 TRP A CD1 1 ATOM 2333 C CD2 . TRP A 1 163 ? -47.388 4.631 4.124 1.00 24.97 ? 175 TRP A CD2 1 ATOM 2334 N NE1 . TRP A 1 163 ? -46.560 2.535 4.255 1.00 26.72 ? 175 TRP A NE1 1 ATOM 2335 C CE2 . TRP A 1 163 ? -47.223 3.395 3.422 1.00 26.24 ? 175 TRP A CE2 1 ATOM 2336 C CE3 . TRP A 1 163 ? -48.051 5.689 3.484 1.00 23.53 ? 175 TRP A CE3 1 ATOM 2337 C CZ2 . TRP A 1 163 ? -47.675 3.202 2.116 1.00 26.20 ? 175 TRP A CZ2 1 ATOM 2338 C CZ3 . TRP A 1 163 ? -48.530 5.463 2.164 1.00 24.63 ? 175 TRP A CZ3 1 ATOM 2339 C CH2 . TRP A 1 163 ? -48.337 4.243 1.516 1.00 24.95 ? 175 TRP A CH2 1 ATOM 2340 H H . TRP A 1 163 ? -48.784 4.807 7.618 1.00 32.02 ? 175 TRP A H 1 ATOM 2341 H HA . TRP A 1 163 ? -46.169 4.223 8.009 1.00 31.44 ? 175 TRP A HA 1 ATOM 2342 H HB2 . TRP A 1 163 ? -47.372 6.157 6.320 1.00 29.74 ? 175 TRP A HB2 1 ATOM 2343 H HB3 . TRP A 1 163 ? -45.803 5.920 6.411 1.00 29.74 ? 175 TRP A HB3 1 ATOM 2344 H HD1 . TRP A 1 163 ? -45.836 2.816 6.164 1.00 32.20 ? 175 TRP A HD1 1 ATOM 2345 H HE1 . TRP A 1 163 ? -46.331 1.728 4.064 1.00 32.07 ? 175 TRP A HE1 1 ATOM 2346 H HE3 . TRP A 1 163 ? -48.163 6.512 3.903 1.00 28.24 ? 175 TRP A HE3 1 ATOM 2347 H HZ2 . TRP A 1 163 ? -47.580 2.381 1.689 1.00 31.44 ? 175 TRP A HZ2 1 ATOM 2348 H HZ3 . TRP A 1 163 ? -48.965 6.151 1.715 1.00 29.55 ? 175 TRP A HZ3 1 ATOM 2349 H HH2 . TRP A 1 163 ? -48.670 4.131 0.655 1.00 29.94 ? 175 TRP A HH2 1 ATOM 2350 N N . LEU A 1 164 ? -47.683 6.465 9.561 1.00 26.36 ? 176 LEU A N 1 ATOM 2351 C CA . LEU A 1 164 ? -47.674 7.705 10.323 1.00 25.46 ? 176 LEU A CA 1 ATOM 2352 C C . LEU A 1 164 ? -48.169 7.474 11.747 1.00 26.60 ? 176 LEU A C 1 ATOM 2353 O O . LEU A 1 164 ? -49.139 6.743 11.976 1.00 27.75 ? 176 LEU A O 1 ATOM 2354 C CB . LEU A 1 164 ? -48.574 8.735 9.651 1.00 27.08 ? 176 LEU A CB 1 ATOM 2355 C CG . LEU A 1 164 ? -48.238 9.125 8.198 1.00 28.10 ? 176 LEU A CG 1 ATOM 2356 C CD1 . LEU A 1 164 ? -49.207 10.195 7.687 1.00 29.41 ? 176 LEU A CD1 1 ATOM 2357 C CD2 . LEU A 1 164 ? -46.811 9.589 8.033 1.00 28.56 ? 176 LEU A CD2 1 ATOM 2358 H H . LEU A 1 164 ? -48.438 6.053 9.592 1.00 31.63 ? 176 LEU A H 1 ATOM 2359 H HA . LEU A 1 164 ? -46.771 8.058 10.361 1.00 30.55 ? 176 LEU A HA 1 ATOM 2360 H HB2 . LEU A 1 164 ? -49.480 8.389 9.651 1.00 32.50 ? 176 LEU A HB2 1 ATOM 2361 H HB3 . LEU A 1 164 ? -48.544 9.549 10.178 1.00 32.50 ? 176 LEU A HB3 1 ATOM 2362 H HG . LEU A 1 164 ? -48.352 8.341 7.638 1.00 33.72 ? 176 LEU A HG 1 ATOM 2363 H HD11 . LEU A 1 164 ? -48.973 10.421 6.773 1.00 35.29 ? 176 LEU A HD11 1 ATOM 2364 H HD12 . LEU A 1 164 ? -50.110 9.843 7.721 1.00 35.29 ? 176 LEU A HD12 1 ATOM 2365 H HD13 . LEU A 1 164 ? -49.135 10.980 8.252 1.00 35.29 ? 176 LEU A HD13 1 ATOM 2366 H HD21 . LEU A 1 164 ? -46.659 9.819 7.103 1.00 34.27 ? 176 LEU A HD21 1 ATOM 2367 H HD22 . LEU A 1 164 ? -46.665 10.366 8.595 1.00 34.27 ? 176 LEU A HD22 1 ATOM 2368 H HD23 . LEU A 1 164 ? -46.214 8.872 8.299 1.00 34.27 ? 176 LEU A HD23 1 ATOM 2369 N N . GLY A 1 165 ? -47.499 8.115 12.697 1.00 26.33 ? 177 GLY A N 1 ATOM 2370 C CA . GLY A 1 165 ? -47.901 8.098 14.091 1.00 28.43 ? 177 GLY A CA 1 ATOM 2371 C C . GLY A 1 165 ? -49.035 9.064 14.394 1.00 29.06 ? 177 GLY A C 1 ATOM 2372 O O . GLY A 1 165 ? -49.542 9.775 13.525 1.00 28.79 ? 177 GLY A O 1 ATOM 2373 H H . GLY A 1 165 ? -46.789 8.578 12.552 1.00 31.60 ? 177 GLY A H 1 ATOM 2374 H HA2 . GLY A 1 165 ? -48.189 7.204 14.331 1.00 34.12 ? 177 GLY A HA2 1 ATOM 2375 H HA3 . GLY A 1 165 ? -47.142 8.334 14.647 1.00 34.12 ? 177 GLY A HA3 1 ATOM 2376 N N . GLU A 1 166 ? -49.437 9.057 15.670 1.00 30.80 ? 178 GLU A N 1 ATOM 2377 C CA . GLU A 1 166 ? -50.601 9.817 16.111 1.00 32.74 ? 178 GLU A CA 1 ATOM 2378 C C . GLU A 1 166 ? -50.464 11.306 15.833 1.00 31.90 ? 178 GLU A C 1 ATOM 2379 O O . GLU A 1 166 ? -51.417 11.946 15.372 1.00 31.93 ? 178 GLU A O 1 ATOM 2380 C CB . GLU A 1 166 ? -50.838 9.594 17.607 1.00 37.77 ? 178 GLU A CB 1 ATOM 2381 C CG . GLU A 1 166 ? -51.594 8.346 17.888 1.00 44.37 ? 178 GLU A CG 1 ATOM 2382 C CD . GLU A 1 166 ? -51.930 8.211 19.374 1.00 50.15 ? 178 GLU A CD 1 ATOM 2383 O OE1 . GLU A 1 166 ? -52.697 7.296 19.730 1.00 54.00 ? 178 GLU A OE1 1 ATOM 2384 O OE2 . GLU A 1 166 ? -51.433 9.032 20.188 1.00 51.79 ? 178 GLU A OE2 1 ATOM 2385 H H . GLU A 1 166 ? -49.048 8.618 16.298 1.00 36.96 ? 178 GLU A H 1 ATOM 2386 H HA . GLU A 1 166 ? -51.383 9.497 15.634 1.00 39.29 ? 178 GLU A HA 1 ATOM 2387 H HB2 . GLU A 1 166 ? -49.981 9.533 18.057 1.00 45.32 ? 178 GLU A HB2 1 ATOM 2388 H HB3 . GLU A 1 166 ? -51.347 10.339 17.961 1.00 45.32 ? 178 GLU A HB3 1 ATOM 2389 H HG2 . GLU A 1 166 ? -52.426 8.358 17.389 1.00 53.24 ? 178 GLU A HG2 1 ATOM 2390 H HG3 . GLU A 1 166 ? -51.057 7.582 17.627 1.00 53.24 ? 178 GLU A HG3 1 ATOM 2391 N N . GLU A 1 167 ? -49.314 11.892 16.171 1.00 31.21 ? 179 GLU A N 1 ATOM 2392 C CA . GLU A 1 167 ? -49.141 13.325 15.972 1.00 32.16 ? 179 GLU A CA 1 ATOM 2393 C C . GLU A 1 167 ? -49.219 13.688 14.498 1.00 29.70 ? 179 GLU A C 1 ATOM 2394 O O . GLU A 1 167 ? -49.856 14.681 14.134 1.00 30.37 ? 179 GLU A O 1 ATOM 2395 C CB . GLU A 1 167 ? -47.828 13.807 16.582 1.00 35.86 ? 179 GLU A CB 1 ATOM 2396 C CG . GLU A 1 167 ? -47.649 15.309 16.434 1.00 41.34 ? 179 GLU A CG 1 ATOM 2397 C CD . GLU A 1 167 ? -46.650 15.911 17.408 1.00 47.57 ? 179 GLU A CD 1 ATOM 2398 O OE1 . GLU A 1 167 ? -46.294 17.105 17.204 1.00 50.04 ? 179 GLU A OE1 1 ATOM 2399 O OE2 . GLU A 1 167 ? -46.241 15.208 18.373 1.00 49.71 ? 179 GLU A OE2 1 ATOM 2400 H H . GLU A 1 167 ? -48.633 11.490 16.509 1.00 37.45 ? 179 GLU A H 1 ATOM 2401 H HA . GLU A 1 167 ? -49.863 13.788 16.426 1.00 38.60 ? 179 GLU A HA 1 ATOM 2402 H HB2 . GLU A 1 167 ? -47.818 13.593 17.528 1.00 43.04 ? 179 GLU A HB2 1 ATOM 2403 H HB3 . GLU A 1 167 ? -47.088 13.369 16.133 1.00 43.04 ? 179 GLU A HB3 1 ATOM 2404 H HG2 . GLU A 1 167 ? -47.337 15.499 15.535 1.00 49.61 ? 179 GLU A HG2 1 ATOM 2405 H HG3 . GLU A 1 167 ? -48.504 15.742 16.583 1.00 49.61 ? 179 GLU A HG3 1 ATOM 2406 N N . ALA A 1 168 ? -48.597 12.880 13.639 1.00 27.03 ? 180 ALA A N 1 ATOM 2407 C CA . ALA A 1 168 ? -48.638 13.132 12.203 1.00 25.95 ? 180 ALA A CA 1 ATOM 2408 C C . ALA A 1 168 ? -50.053 13.027 11.673 1.00 26.76 ? 180 ALA A C 1 ATOM 2409 O O . ALA A 1 168 ? -50.472 13.825 10.829 1.00 26.99 ? 180 ALA A O 1 ATOM 2410 C CB . ALA A 1 168 ? -47.736 12.141 11.460 1.00 26.04 ? 180 ALA A CB 1 ATOM 2411 H H . ALA A 1 168 ? -48.147 12.182 13.863 1.00 32.44 ? 180 ALA A H 1 ATOM 2412 H HA . ALA A 1 168 ? -48.314 14.029 12.026 1.00 31.14 ? 180 ALA A HA 1 ATOM 2413 H HB1 . ALA A 1 168 ? -47.779 12.327 10.509 1.00 31.25 ? 180 ALA A HB1 1 ATOM 2414 H HB2 . ALA A 1 168 ? -46.825 12.245 11.777 1.00 31.25 ? 180 ALA A HB2 1 ATOM 2415 H HB3 . ALA A 1 168 ? -48.047 11.239 11.636 1.00 31.25 ? 180 ALA A HB3 1 ATOM 2416 N N . ILE A 1 169 ? -50.809 12.035 12.143 1.00 27.30 ? 181 ILE A N 1 ATOM 2417 C CA . ILE A 1 169 ? -52.175 11.896 11.671 1.00 29.28 ? 181 ILE A CA 1 ATOM 2418 C C . ILE A 1 169 ? -52.977 13.124 12.054 1.00 28.87 ? 181 ILE A C 1 ATOM 2419 O O . ILE A 1 169 ? -53.807 13.620 11.272 1.00 29.07 ? 181 ILE A O 1 ATOM 2420 C CB . ILE A 1 169 ? -52.780 10.598 12.239 1.00 31.29 ? 181 ILE A CB 1 ATOM 2421 C CG1 . ILE A 1 169 ? -52.155 9.378 11.537 1.00 33.37 ? 181 ILE A CG1 1 ATOM 2422 C CG2 . ILE A 1 169 ? -54.266 10.614 12.118 1.00 31.85 ? 181 ILE A CG2 1 ATOM 2423 C CD1 . ILE A 1 169 ? -52.485 9.258 10.058 1.00 36.56 ? 181 ILE A CD1 1 ATOM 2424 H H . ILE A 1 169 ? -50.559 11.447 12.719 1.00 32.76 ? 181 ILE A H 1 ATOM 2425 H HA . ILE A 1 169 ? -52.172 11.828 10.704 1.00 35.14 ? 181 ILE A HA 1 ATOM 2426 H HB . ILE A 1 169 ? -52.557 10.549 13.181 1.00 37.55 ? 181 ILE A HB 1 ATOM 2427 H HG12 . ILE A 1 169 ? -51.191 9.435 11.620 1.00 40.04 ? 181 ILE A HG12 1 ATOM 2428 H HG13 . ILE A 1 169 ? -52.473 8.573 11.975 1.00 40.04 ? 181 ILE A HG13 1 ATOM 2429 H HG21 . ILE A 1 169 ? -54.621 9.788 12.481 1.00 38.22 ? 181 ILE A HG21 1 ATOM 2430 H HG22 . ILE A 1 169 ? -54.614 11.371 12.614 1.00 38.22 ? 181 ILE A HG22 1 ATOM 2431 H HG23 . ILE A 1 169 ? -54.505 10.694 11.181 1.00 38.22 ? 181 ILE A HG23 1 ATOM 2432 H HD11 . ILE A 1 169 ? -52.051 8.466 9.702 1.00 43.87 ? 181 ILE A HD11 1 ATOM 2433 H HD12 . ILE A 1 169 ? -53.446 9.184 9.954 1.00 43.87 ? 181 ILE A HD12 1 ATOM 2434 H HD13 . ILE A 1 169 ? -52.161 10.048 9.598 1.00 43.87 ? 181 ILE A HD13 1 ATOM 2435 N N . SER A 1 170 ? -52.723 13.645 13.260 1.00 28.32 ? 182 SER A N 1 ATOM 2436 C CA . SER A 1 170 ? -53.472 14.787 13.755 1.00 29.01 ? 182 SER A CA 1 ATOM 2437 C C . SER A 1 170 ? -53.255 16.025 12.881 1.00 27.67 ? 182 SER A C 1 ATOM 2438 O O . SER A 1 170 ? -54.214 16.714 12.515 1.00 28.82 ? 182 SER A O 1 ATOM 2439 C CB . SER A 1 170 ? -53.062 15.065 15.193 1.00 31.75 ? 182 SER A CB 1 ATOM 2440 O OG . SER A 1 170 ? -53.803 16.150 15.647 1.00 36.65 ? 182 SER A OG 1 ATOM 2441 H H . SER A 1 170 ? -52.124 13.352 13.803 1.00 33.98 ? 182 SER A H 1 ATOM 2442 H HA . SER A 1 170 ? -54.419 14.575 13.747 1.00 34.81 ? 182 SER A HA 1 ATOM 2443 H HB2 . SER A 1 170 ? -53.254 14.288 15.741 1.00 38.10 ? 182 SER A HB2 1 ATOM 2444 H HB3 . SER A 1 170 ? -52.117 15.280 15.225 1.00 38.10 ? 182 SER A HB3 1 ATOM 2445 H HG . SER A 1 170 ? -54.624 15.972 15.612 1.00 43.98 ? 182 SER A HG 1 ATOM 2446 N N . THR A 1 171 ? -52.000 16.335 12.553 1.00 25.22 ? 183 THR A N 1 ATOM 2447 C CA . THR A 1 171 ? -51.747 17.524 11.732 1.00 25.71 ? 183 THR A CA 1 ATOM 2448 C C . THR A 1 171 ? -52.163 17.304 10.288 1.00 24.92 ? 183 THR A C 1 ATOM 2449 O O . THR A 1 171 ? -52.586 18.248 9.618 1.00 25.46 ? 183 THR A O 1 ATOM 2450 C CB . THR A 1 171 ? -50.273 17.971 11.796 1.00 26.51 ? 183 THR A CB 1 ATOM 2451 O OG1 . THR A 1 171 ? -49.433 16.933 11.306 1.00 26.31 ? 183 THR A OG1 1 ATOM 2452 C CG2 . THR A 1 171 ? -49.855 18.319 13.235 1.00 28.34 ? 183 THR A CG2 1 ATOM 2453 H H . THR A 1 171 ? -51.300 15.893 12.783 1.00 30.26 ? 183 THR A H 1 ATOM 2454 H HA . THR A 1 171 ? -52.284 18.253 12.079 1.00 30.86 ? 183 THR A HA 1 ATOM 2455 H HB . THR A 1 171 ? -50.156 18.762 11.247 1.00 31.81 ? 183 THR A HB 1 ATOM 2456 H HG1 . THR A 1 171 ? -49.631 16.755 10.509 1.00 31.57 ? 183 THR A HG1 1 ATOM 2457 H HG21 . THR A 1 171 ? -48.926 18.597 13.252 1.00 34.01 ? 183 THR A HG21 1 ATOM 2458 H HG22 . THR A 1 171 ? -50.406 19.040 13.575 1.00 34.01 ? 183 THR A HG22 1 ATOM 2459 H HG23 . THR A 1 171 ? -49.962 17.543 13.807 1.00 34.01 ? 183 THR A HG23 1 ATOM 2460 N N . LEU A 1 172 ? -52.017 16.081 9.773 1.00 25.06 ? 184 LEU A N 1 ATOM 2461 C CA . LEU A 1 172 ? -52.454 15.794 8.410 1.00 24.55 ? 184 LEU A CA 1 ATOM 2462 C C . LEU A 1 172 ? -53.954 15.997 8.262 1.00 24.67 ? 184 LEU A C 1 ATOM 2463 O O . LEU A 1 172 ? -54.420 16.586 7.282 1.00 24.68 ? 184 LEU A O 1 ATOM 2464 C CB . LEU A 1 172 ? -52.050 14.364 8.063 1.00 24.52 ? 184 LEU A CB 1 ATOM 2465 C CG . LEU A 1 172 ? -52.442 13.837 6.696 1.00 24.16 ? 184 LEU A CG 1 ATOM 2466 C CD1 . LEU A 1 172 ? -51.825 14.649 5.562 1.00 24.71 ? 184 LEU A CD1 1 ATOM 2467 C CD2 . LEU A 1 172 ? -52.027 12.381 6.592 1.00 25.23 ? 184 LEU A CD2 1 ATOM 2468 H H . LEU A 1 172 ? -51.673 15.410 10.187 1.00 30.07 ? 184 LEU A H 1 ATOM 2469 H HA . LEU A 1 172 ? -52.004 16.395 7.796 1.00 29.46 ? 184 LEU A HA 1 ATOM 2470 H HB2 . LEU A 1 172 ? -51.084 14.303 8.124 1.00 29.42 ? 184 LEU A HB2 1 ATOM 2471 H HB3 . LEU A 1 172 ? -52.448 13.772 8.720 1.00 29.42 ? 184 LEU A HB3 1 ATOM 2472 H HG . LEU A 1 172 ? -53.407 13.881 6.605 1.00 28.99 ? 184 LEU A HG 1 ATOM 2473 H HD11 . LEU A 1 172 ? -52.107 14.271 4.714 1.00 29.65 ? 184 LEU A HD11 1 ATOM 2474 H HD12 . LEU A 1 172 ? -52.127 15.568 5.632 1.00 29.65 ? 184 LEU A HD12 1 ATOM 2475 H HD13 . LEU A 1 172 ? -50.859 14.610 5.637 1.00 29.65 ? 184 LEU A HD13 1 ATOM 2476 H HD21 . LEU A 1 172 ? -52.278 12.043 5.718 1.00 30.27 ? 184 LEU A HD21 1 ATOM 2477 H HD22 . LEU A 1 172 ? -51.066 12.318 6.708 1.00 30.27 ? 184 LEU A HD22 1 ATOM 2478 H HD23 . LEU A 1 172 ? -52.479 11.874 7.285 1.00 30.27 ? 184 LEU A HD23 1 ATOM 2479 N N . LYS A 1 173 ? -54.730 15.489 9.214 1.00 26.67 ? 185 LYS A N 1 ATOM 2480 C CA . LYS A 1 173 ? -56.180 15.668 9.194 1.00 27.54 ? 185 LYS A CA 1 ATOM 2481 C C . LYS A 1 173 ? -56.565 17.145 9.226 1.00 27.30 ? 185 LYS A C 1 ATOM 2482 O O . LYS A 1 173 ? -57.560 17.549 8.605 1.00 27.01 ? 185 LYS A O 1 ATOM 2483 C CB . LYS A 1 173 ? -56.749 14.941 10.418 1.00 31.30 ? 185 LYS A CB 1 ATOM 2484 C CG . LYS A 1 173 ? -58.195 14.621 10.359 1.00 36.36 ? 185 LYS A CG 1 ATOM 2485 C CD . LYS A 1 173 ? -58.598 13.720 11.537 1.00 40.65 ? 185 LYS A CD 1 ATOM 2486 C CE . LYS A 1 173 ? -59.741 12.802 11.142 1.00 45.00 ? 185 LYS A CE 1 ATOM 2487 N NZ . LYS A 1 173 ? -61.066 13.471 10.946 1.00 47.50 ? 185 LYS A NZ 1 ATOM 2488 H H . LYS A 1 173 ? -54.441 15.036 9.885 1.00 32.01 ? 185 LYS A H 1 ATOM 2489 H HA . LYS A 1 173 ? -56.549 15.267 8.392 1.00 33.05 ? 185 LYS A HA 1 ATOM 2490 H HB2 . LYS A 1 173 ? -56.271 14.105 10.527 1.00 37.56 ? 185 LYS A HB2 1 ATOM 2491 H HB3 . LYS A 1 173 ? -56.608 15.499 11.199 1.00 37.56 ? 185 LYS A HB3 1 ATOM 2492 H HG2 . LYS A 1 173 ? -58.710 15.441 10.410 1.00 43.63 ? 185 LYS A HG2 1 ATOM 2493 H HG3 . LYS A 1 173 ? -58.388 14.150 9.533 1.00 43.63 ? 185 LYS A HG3 1 ATOM 2494 H HD2 . LYS A 1 173 ? -57.841 13.172 11.798 1.00 48.78 ? 185 LYS A HD2 1 ATOM 2495 H HD3 . LYS A 1 173 ? -58.889 14.271 12.280 1.00 48.78 ? 185 LYS A HD3 1 ATOM 2496 H HE2 . LYS A 1 173 ? -59.510 12.364 10.308 1.00 54.00 ? 185 LYS A HE2 1 ATOM 2497 H HE3 . LYS A 1 173 ? -59.852 12.134 11.837 1.00 54.00 ? 185 LYS A HE3 1 ATOM 2498 H HZ1 . LYS A 1 173 ? -61.680 12.868 10.718 1.00 57.00 ? 185 LYS A HZ1 1 ATOM 2499 H HZ2 . LYS A 1 173 ? -61.319 13.870 11.700 1.00 57.00 ? 185 LYS A HZ2 1 ATOM 2500 H HZ3 . LYS A 1 173 ? -61.006 14.081 10.301 1.00 57.00 ? 185 LYS A HZ3 1 ATOM 2501 N N . LYS A 1 174 ? -55.795 17.968 9.931 1.00 28.00 ? 186 LYS A N 1 ATOM 2502 C CA . LYS A 1 174 ? -56.150 19.367 10.152 1.00 30.15 ? 186 LYS A CA 1 ATOM 2503 C C . LYS A 1 174 ? -55.714 20.267 8.997 1.00 29.55 ? 186 LYS A C 1 ATOM 2504 O O . LYS A 1 174 ? -56.457 21.176 8.602 1.00 30.68 ? 186 LYS A O 1 ATOM 2505 C CB . LYS A 1 174 ? -55.507 19.838 11.465 1.00 33.74 ? 186 LYS A CB 1 ATOM 2506 C CG . LYS A 1 174 ? -56.114 21.047 12.108 1.00 38.75 ? 186 LYS A CG 1 ATOM 2507 C CD . LYS A 1 174 ? -55.517 21.247 13.528 1.00 42.94 ? 186 LYS A CD 1 ATOM 2508 C CE . LYS A 1 174 ? -56.064 22.495 14.224 1.00 46.90 ? 186 LYS A CE 1 ATOM 2509 N NZ . LYS A 1 174 ? -55.354 22.812 15.521 1.00 49.31 ? 186 LYS A NZ 1 ATOM 2510 H H . LYS A 1 174 ? -55.051 17.737 10.296 1.00 33.59 ? 186 LYS A H 1 ATOM 2511 H HA . LYS A 1 174 ? -57.113 19.440 10.244 1.00 36.18 ? 186 LYS A HA 1 ATOM 2512 H HB2 . LYS A 1 174 ? -55.562 19.113 12.107 1.00 40.49 ? 186 LYS A HB2 1 ATOM 2513 H HB3 . LYS A 1 174 ? -54.575 20.042 11.291 1.00 40.49 ? 186 LYS A HB3 1 ATOM 2514 H HG2 . LYS A 1 174 ? -55.915 21.833 11.575 1.00 46.50 ? 186 LYS A HG2 1 ATOM 2515 H HG3 . LYS A 1 174 ? -57.073 20.925 12.190 1.00 46.50 ? 186 LYS A HG3 1 ATOM 2516 H HD2 . LYS A 1 174 ? -55.737 20.477 14.075 1.00 51.53 ? 186 LYS A HD2 1 ATOM 2517 H HD3 . LYS A 1 174 ? -54.554 21.341 13.456 1.00 51.53 ? 186 LYS A HD3 1 ATOM 2518 H HE2 . LYS A 1 174 ? -55.959 23.257 13.632 1.00 56.28 ? 186 LYS A HE2 1 ATOM 2519 H HE3 . LYS A 1 174 ? -57.003 22.358 14.423 1.00 56.28 ? 186 LYS A HE3 1 ATOM 2520 H HZ1 . LYS A 1 174 ? -55.704 23.543 15.889 1.00 59.17 ? 186 LYS A HZ1 1 ATOM 2521 H HZ2 . LYS A 1 174 ? -55.440 22.133 16.089 1.00 59.17 ? 186 LYS A HZ2 1 ATOM 2522 H HZ3 . LYS A 1 174 ? -54.488 22.952 15.368 1.00 59.17 ? 186 LYS A HZ3 1 ATOM 2523 N N . GLY A 1 175 ? -54.534 20.034 8.433 1.00 27.83 ? 187 GLY A N 1 ATOM 2524 C CA . GLY A 1 175 ? -53.965 20.963 7.473 1.00 26.41 ? 187 GLY A CA 1 ATOM 2525 C C . GLY A 1 175 ? -53.234 20.360 6.287 1.00 24.68 ? 187 GLY A C 1 ATOM 2526 O O . GLY A 1 175 ? -52.727 21.113 5.447 1.00 24.96 ? 187 GLY A O 1 ATOM 2527 H H . GLY A 1 175 ? -54.046 19.344 8.591 1.00 33.40 ? 187 GLY A H 1 ATOM 2528 H HA2 . GLY A 1 175 ? -54.678 21.520 7.124 1.00 31.70 ? 187 GLY A HA2 1 ATOM 2529 H HA3 . GLY A 1 175 ? -53.340 21.541 7.938 1.00 31.70 ? 187 GLY A HA3 1 ATOM 2530 N N . GLY A 1 176 ? -53.151 19.031 6.194 1.00 24.24 ? 188 GLY A N 1 ATOM 2531 C CA . GLY A 1 176 ? -52.531 18.389 5.040 1.00 23.16 ? 188 GLY A CA 1 ATOM 2532 C C . GLY A 1 176 ? -51.027 18.272 5.118 1.00 23.12 ? 188 GLY A C 1 ATOM 2533 O O . GLY A 1 176 ? -50.392 18.039 4.077 1.00 22.90 ? 188 GLY A O 1 ATOM 2534 H H . GLY A 1 176 ? -53.446 18.482 6.787 1.00 29.09 ? 188 GLY A H 1 ATOM 2535 H HA2 . GLY A 1 176 ? -52.897 17.496 4.942 1.00 27.79 ? 188 GLY A HA2 1 ATOM 2536 H HA3 . GLY A 1 176 ? -52.752 18.894 4.242 1.00 27.79 ? 188 GLY A HA3 1 ATOM 2537 N N . PHE A 1 177 ? -50.440 18.452 6.321 1.00 22.84 ? 189 PHE A N 1 ATOM 2538 C CA . PHE A 1 177 ? -48.999 18.394 6.522 1.00 21.46 ? 189 PHE A CA 1 ATOM 2539 C C . PHE A 1 177 ? -48.704 17.605 7.778 1.00 21.73 ? 189 PHE A C 1 ATOM 2540 O O . PHE A 1 177 ? -49.587 17.406 8.626 1.00 23.15 ? 189 PHE A O 1 ATOM 2541 C CB . PHE A 1 177 ? -48.355 19.795 6.593 1.00 21.94 ? 189 PHE A CB 1 ATOM 2542 C CG . PHE A 1 177 ? -48.945 20.702 7.623 1.00 22.83 ? 189 PHE A CG 1 ATOM 2543 C CD1 . PHE A 1 177 ? -48.449 20.685 8.910 1.00 23.72 ? 189 PHE A CD1 1 ATOM 2544 C CD2 . PHE A 1 177 ? -49.923 21.645 7.306 1.00 23.86 ? 189 PHE A CD2 1 ATOM 2545 C CE1 . PHE A 1 177 ? -48.937 21.533 9.883 1.00 24.02 ? 189 PHE A CE1 1 ATOM 2546 C CE2 . PHE A 1 177 ? -50.411 22.489 8.291 1.00 24.40 ? 189 PHE A CE2 1 ATOM 2547 C CZ . PHE A 1 177 ? -49.900 22.436 9.566 1.00 24.45 ? 189 PHE A CZ 1 ATOM 2548 H H . PHE A 1 177 ? -50.878 18.612 7.044 1.00 27.41 ? 189 PHE A H 1 ATOM 2549 H HA . PHE A 1 177 ? -48.599 17.922 5.775 1.00 25.75 ? 189 PHE A HA 1 ATOM 2550 H HB2 . PHE A 1 177 ? -47.412 19.693 6.797 1.00 26.33 ? 189 PHE A HB2 1 ATOM 2551 H HB3 . PHE A 1 177 ? -48.457 20.226 5.730 1.00 26.33 ? 189 PHE A HB3 1 ATOM 2552 H HD1 . PHE A 1 177 ? -47.783 20.074 9.132 1.00 28.46 ? 189 PHE A HD1 1 ATOM 2553 H HD2 . PHE A 1 177 ? -50.266 21.689 6.443 1.00 28.63 ? 189 PHE A HD2 1 ATOM 2554 H HE1 . PHE A 1 177 ? -48.599 21.495 10.748 1.00 28.82 ? 189 PHE A HE1 1 ATOM 2555 H HE2 . PHE A 1 177 ? -51.073 23.108 8.083 1.00 29.28 ? 189 PHE A HE2 1 ATOM 2556 H HZ . PHE A 1 177 ? -50.237 23.002 10.223 1.00 29.34 ? 189 PHE A HZ 1 ATOM 2557 N N . TYR A 1 178 ? -47.451 17.154 7.902 1.00 21.94 ? 190 TYR A N 1 ATOM 2558 C CA . TYR A 1 178 ? -47.049 16.392 9.081 1.00 22.39 ? 190 TYR A CA 1 ATOM 2559 C C . TYR A 1 178 ? -45.532 16.242 9.075 1.00 21.62 ? 190 TYR A C 1 ATOM 2560 O O . TYR A 1 178 ? -44.866 16.493 8.074 1.00 22.26 ? 190 TYR A O 1 ATOM 2561 C CB . TYR A 1 178 ? -47.685 14.993 9.078 1.00 21.45 ? 190 TYR A CB 1 ATOM 2562 C CG . TYR A 1 178 ? -47.160 14.134 7.952 1.00 21.09 ? 190 TYR A CG 1 ATOM 2563 C CD1 . TYR A 1 178 ? -46.008 13.376 8.098 1.00 22.37 ? 190 TYR A CD1 1 ATOM 2564 C CD2 . TYR A 1 178 ? -47.814 14.069 6.729 1.00 22.44 ? 190 TYR A CD2 1 ATOM 2565 C CE1 . TYR A 1 178 ? -45.521 12.607 7.059 1.00 23.57 ? 190 TYR A CE1 1 ATOM 2566 C CE2 . TYR A 1 178 ? -47.324 13.287 5.697 1.00 22.40 ? 190 TYR A CE2 1 ATOM 2567 C CZ . TYR A 1 178 ? -46.177 12.588 5.855 1.00 23.25 ? 190 TYR A CZ 1 ATOM 2568 O OH . TYR A 1 178 ? -45.696 11.825 4.813 1.00 23.97 ? 190 TYR A OH 1 ATOM 2569 H H . TYR A 1 178 ? -46.826 17.276 7.324 1.00 26.32 ? 190 TYR A H 1 ATOM 2570 H HA . TYR A 1 178 ? -47.317 16.860 9.887 1.00 26.87 ? 190 TYR A HA 1 ATOM 2571 H HB2 . TYR A 1 178 ? -47.482 14.549 9.917 1.00 25.74 ? 190 TYR A HB2 1 ATOM 2572 H HB3 . TYR A 1 178 ? -48.645 15.080 8.970 1.00 25.74 ? 190 TYR A HB3 1 ATOM 2573 H HD1 . TYR A 1 178 ? -45.543 13.403 8.903 1.00 26.85 ? 190 TYR A HD1 1 ATOM 2574 H HD2 . TYR A 1 178 ? -48.590 14.565 6.599 1.00 26.93 ? 190 TYR A HD2 1 ATOM 2575 H HE1 . TYR A 1 178 ? -44.738 12.118 7.169 1.00 28.29 ? 190 TYR A HE1 1 ATOM 2576 H HE2 . TYR A 1 178 ? -47.766 13.272 4.879 1.00 26.88 ? 190 TYR A HE2 1 ATOM 2577 H HH . TYR A 1 178 ? -46.194 11.909 4.142 1.00 28.77 ? 190 TYR A HH 1 ATOM 2578 N N . SER A 1 179 ? -44.994 15.808 10.214 1.00 21.86 ? 191 SER A N 1 ATOM 2579 C CA . SER A 1 179 ? -43.632 15.299 10.264 1.00 22.17 ? 191 SER A CA 1 ATOM 2580 C C . SER A 1 179 ? -43.686 13.912 10.888 1.00 23.26 ? 191 SER A C 1 ATOM 2581 O O . SER A 1 179 ? -44.618 13.588 11.634 1.00 24.77 ? 191 SER A O 1 ATOM 2582 C CB . SER A 1 179 ? -42.679 16.211 11.034 1.00 22.63 ? 191 SER A CB 1 ATOM 2583 O OG . SER A 1 179 ? -42.743 16.047 12.444 1.00 24.95 ? 191 SER A OG 1 ATOM 2584 H H . SER A 1 179 ? -45.400 15.799 10.971 1.00 26.24 ? 191 SER A H 1 ATOM 2585 H HA . SER A 1 179 ? -43.295 15.208 9.359 1.00 26.61 ? 191 SER A HA 1 ATOM 2586 H HB2 . SER A 1 179 ? -41.772 16.021 10.745 1.00 27.15 ? 191 SER A HB2 1 ATOM 2587 H HB3 . SER A 1 179 ? -42.898 17.132 10.823 1.00 27.15 ? 191 SER A HB3 1 ATOM 2588 H HG . SER A 1 179 ? -43.519 16.216 12.717 1.00 29.94 ? 191 SER A HG 1 ATOM 2589 N N . GLN A 1 180 ? -42.705 13.074 10.537 1.00 24.23 ? 192 GLN A N 1 ATOM 2590 C CA . GLN A 1 180 ? -42.699 11.687 10.984 1.00 24.61 ? 192 GLN A CA 1 ATOM 2591 C C . GLN A 1 180 ? -41.276 11.172 11.057 1.00 25.89 ? 192 GLN A C 1 ATOM 2592 O O . GLN A 1 180 ? -40.521 11.343 10.097 1.00 26.01 ? 192 GLN A O 1 ATOM 2593 C CB . GLN A 1 180 ? -43.499 10.810 10.003 1.00 24.47 ? 192 GLN A CB 1 ATOM 2594 C CG . GLN A 1 180 ? -43.656 9.309 10.398 1.00 26.18 ? 192 GLN A CG 1 ATOM 2595 C CD . GLN A 1 180 ? -44.359 9.122 11.733 1.00 27.20 ? 192 GLN A CD 1 ATOM 2596 O OE1 . GLN A 1 180 ? -45.348 9.793 12.044 1.00 26.80 ? 192 GLN A OE1 1 ATOM 2597 N NE2 . GLN A 1 180 ? -43.844 8.191 12.534 1.00 28.22 ? 192 GLN A NE2 1 ATOM 2598 H H . GLN A 1 180 ? -42.035 13.288 10.042 1.00 29.08 ? 192 GLN A H 1 ATOM 2599 H HA . GLN A 1 180 ? -43.101 11.622 11.864 1.00 29.54 ? 192 GLN A HA 1 ATOM 2600 H HB2 . GLN A 1 180 ? -44.392 11.182 9.921 1.00 29.37 ? 192 GLN A HB2 1 ATOM 2601 H HB3 . GLN A 1 180 ? -43.058 10.837 9.140 1.00 29.37 ? 192 GLN A HB3 1 ATOM 2602 H HG2 . GLN A 1 180 ? -44.179 8.856 9.718 1.00 31.41 ? 192 GLN A HG2 1 ATOM 2603 H HG3 . GLN A 1 180 ? -42.777 8.906 10.463 1.00 31.41 ? 192 GLN A HG3 1 ATOM 2604 H HE21 . GLN A 1 180 ? -43.156 7.740 12.282 1.00 33.87 ? 192 GLN A HE21 1 ATOM 2605 H HE22 . GLN A 1 180 ? -44.199 8.040 13.302 1.00 33.87 ? 192 GLN A HE22 1 ATOM 2606 N N . LYS A 1 181 ? -40.938 10.508 12.177 1.00 27.08 ? 193 LYS A N 1 ATOM 2607 C CA . LYS A 1 181 ? -39.671 9.797 12.290 1.00 28.09 ? 193 LYS A CA 1 ATOM 2608 C C . LYS A 1 181 ? -39.616 8.665 11.284 1.00 27.57 ? 193 LYS A C 1 ATOM 2609 O O . LYS A 1 181 ? -40.619 8.000 11.029 1.00 28.21 ? 193 LYS A O 1 ATOM 2610 C CB . LYS A 1 181 ? -39.530 9.171 13.693 1.00 31.61 ? 193 LYS A CB 1 ATOM 2611 C CG . LYS A 1 181 ? -39.350 10.090 14.776 1.00 37.34 ? 193 LYS A CG 1 ATOM 2612 C CD . LYS A 1 181 ? -39.142 9.249 16.051 1.00 39.34 ? 193 LYS A CD 1 ATOM 2613 C CE . LYS A 1 181 ? -39.924 9.794 17.153 1.00 42.30 ? 193 LYS A CE 1 ATOM 2614 N NZ . LYS A 1 181 ? -39.804 8.868 18.293 1.00 42.58 ? 193 LYS A NZ 1 ATOM 2615 H H . LYS A 1 181 ? -41.431 10.461 12.880 1.00 32.49 ? 193 LYS A H 1 ATOM 2616 H HA . LYS A 1 181 ? -38.930 10.402 12.133 1.00 33.71 ? 193 LYS A HA 1 ATOM 2617 H HB2 . LYS A 1 181 ? -40.332 8.658 13.880 1.00 37.93 ? 193 LYS A HB2 1 ATOM 2618 H HB3 . LYS A 1 181 ? -38.763 8.578 13.687 1.00 37.93 ? 193 LYS A HB3 1 ATOM 2619 H HG2 . LYS A 1 181 ? -38.562 10.636 14.624 1.00 44.81 ? 193 LYS A HG2 1 ATOM 2620 H HG3 . LYS A 1 181 ? -40.142 10.640 14.884 1.00 44.81 ? 193 LYS A HG3 1 ATOM 2621 H HD2 . LYS A 1 181 ? -39.433 8.338 15.888 1.00 47.20 ? 193 LYS A HD2 1 ATOM 2622 H HD3 . LYS A 1 181 ? -38.205 9.266 16.301 1.00 47.20 ? 193 LYS A HD3 1 ATOM 2623 H HE2 . LYS A 1 181 ? -39.574 10.661 17.411 1.00 50.76 ? 193 LYS A HE2 1 ATOM 2624 H HE3 . LYS A 1 181 ? -40.858 9.859 16.896 1.00 50.76 ? 193 LYS A HE3 1 ATOM 2625 H HZ1 . LYS A 1 181 ? -40.272 9.175 18.984 1.00 51.10 ? 193 LYS A HZ1 1 ATOM 2626 H HZ2 . LYS A 1 181 ? -40.114 8.065 18.066 1.00 51.10 ? 193 LYS A HZ2 1 ATOM 2627 H HZ3 . LYS A 1 181 ? -38.950 8.792 18.533 1.00 51.10 ? 193 LYS A HZ3 1 ATOM 2628 N N . VAL A 1 182 ? -38.428 8.429 10.728 1.00 26.92 ? 194 VAL A N 1 ATOM 2629 C CA . VAL A 1 182 ? -38.203 7.315 9.815 1.00 25.98 ? 194 VAL A CA 1 ATOM 2630 C C . VAL A 1 182 ? -37.832 6.090 10.653 1.00 26.94 ? 194 VAL A C 1 ATOM 2631 O O . VAL A 1 182 ? -36.766 6.037 11.274 1.00 28.04 ? 194 VAL A O 1 ATOM 2632 C CB . VAL A 1 182 ? -37.132 7.654 8.768 1.00 26.00 ? 194 VAL A CB 1 ATOM 2633 C CG1 . VAL A 1 182 ? -36.955 6.500 7.787 1.00 27.31 ? 194 VAL A CG1 1 ATOM 2634 C CG2 . VAL A 1 182 ? -37.481 8.964 8.060 1.00 26.20 ? 194 VAL A CG2 1 ATOM 2635 H H . VAL A 1 182 ? -37.728 8.909 10.868 1.00 32.30 ? 194 VAL A H 1 ATOM 2636 H HA . VAL A 1 182 ? -39.029 7.119 9.346 1.00 31.17 ? 194 VAL A HA 1 ATOM 2637 H HB . VAL A 1 182 ? -36.285 7.784 9.224 1.00 31.20 ? 194 VAL A HB 1 ATOM 2638 H HG11 . VAL A 1 182 ? -36.275 6.739 7.138 1.00 32.78 ? 194 VAL A HG11 1 ATOM 2639 H HG12 . VAL A 1 182 ? -36.682 5.709 8.277 1.00 32.78 ? 194 VAL A HG12 1 ATOM 2640 H HG13 . VAL A 1 182 ? -37.799 6.336 7.337 1.00 32.78 ? 194 VAL A HG13 1 ATOM 2641 H HG21 . VAL A 1 182 ? -36.794 9.161 7.404 1.00 31.43 ? 194 VAL A HG21 1 ATOM 2642 H HG22 . VAL A 1 182 ? -38.340 8.865 7.620 1.00 31.43 ? 194 VAL A HG22 1 ATOM 2643 H HG23 . VAL A 1 182 ? -37.525 9.676 8.717 1.00 31.43 ? 194 VAL A HG23 1 ATOM 2644 N N . ALA A 1 183 ? -38.733 5.101 10.692 1.00 26.79 ? 195 ALA A N 1 ATOM 2645 C CA . ALA A 1 183 ? -38.557 3.960 11.593 1.00 27.11 ? 195 ALA A CA 1 ATOM 2646 C C . ALA A 1 183 ? -37.219 3.260 11.385 1.00 28.65 ? 195 ALA A C 1 ATOM 2647 O O . ALA A 1 183 ? -36.535 2.871 12.362 1.00 28.33 ? 195 ALA A O 1 ATOM 2648 C CB . ALA A 1 183 ? -39.690 2.972 11.375 1.00 28.57 ? 195 ALA A CB 1 ATOM 2649 H H . ALA A 1 183 ? -39.446 5.068 10.212 1.00 32.14 ? 195 ALA A H 1 ATOM 2650 H HA . ALA A 1 183 ? -38.598 4.270 12.511 1.00 32.53 ? 195 ALA A HA 1 ATOM 2651 H HB1 . ALA A 1 183 ? -39.570 2.218 11.973 1.00 34.29 ? 195 ALA A HB1 1 ATOM 2652 H HB2 . ALA A 1 183 ? -40.533 3.413 11.562 1.00 34.29 ? 195 ALA A HB2 1 ATOM 2653 H HB3 . ALA A 1 183 ? -39.672 2.670 10.453 1.00 34.29 ? 195 ALA A HB3 1 ATOM 2654 N N . SER A 1 184 ? -36.845 3.074 10.133 1.00 28.83 ? 196 SER A N 1 ATOM 2655 C CA . SER A 1 184 ? -35.642 2.353 9.746 1.00 29.52 ? 196 SER A CA 1 ATOM 2656 C C . SER A 1 184 ? -34.368 3.187 9.844 1.00 29.39 ? 196 SER A C 1 ATOM 2657 O O . SER A 1 184 ? -33.272 2.652 9.595 1.00 29.71 ? 196 SER A O 1 ATOM 2658 C CB . SER A 1 184 ? -35.801 1.907 8.302 1.00 31.10 ? 196 SER A CB 1 ATOM 2659 O OG . SER A 1 184 ? -35.981 3.034 7.429 1.00 31.40 ? 196 SER A OG 1 ATOM 2660 H H . SER A 1 184 ? -37.290 3.369 9.459 1.00 34.59 ? 196 SER A H 1 ATOM 2661 H HA . SER A 1 184 ? -35.541 1.566 10.304 1.00 35.42 ? 196 SER A HA 1 ATOM 2662 H HB2 . SER A 1 184 ? -35.004 1.423 8.032 1.00 37.32 ? 196 SER A HB2 1 ATOM 2663 H HB3 . SER A 1 184 ? -36.577 1.329 8.235 1.00 37.32 ? 196 SER A HB3 1 ATOM 2664 H HG . SER A 1 184 ? -36.668 3.462 7.651 1.00 37.68 ? 196 SER A HG 1 ATOM 2665 N N . ASN A 1 185 ? -34.481 4.458 10.212 1.00 28.85 ? 197 ASN A N 1 ATOM 2666 C CA . ASN A 1 185 ? -33.363 5.396 10.182 1.00 29.01 ? 197 ASN A CA 1 ATOM 2667 C C . ASN A 1 185 ? -33.398 6.279 11.410 1.00 29.15 ? 197 ASN A C 1 ATOM 2668 O O . ASN A 1 185 ? -33.788 7.455 11.341 1.00 28.56 ? 197 ASN A O 1 ATOM 2669 C CB . ASN A 1 185 ? -33.396 6.248 8.908 1.00 29.58 ? 197 ASN A CB 1 ATOM 2670 C CG . ASN A 1 185 ? -32.954 5.476 7.687 1.00 30.80 ? 197 ASN A CG 1 ATOM 2671 O OD1 . ASN A 1 185 ? -31.771 5.376 7.386 1.00 31.04 ? 197 ASN A OD1 1 ATOM 2672 N ND2 . ASN A 1 185 ? -33.903 4.901 7.001 1.00 31.21 ? 197 ASN A ND2 1 ATOM 2673 H H . ASN A 1 185 ? -35.215 4.810 10.490 1.00 34.62 ? 197 ASN A H 1 ATOM 2674 H HA . ASN A 1 185 ? -32.530 4.899 10.191 1.00 34.82 ? 197 ASN A HA 1 ATOM 2675 H HB2 . ASN A 1 185 ? -34.303 6.557 8.757 1.00 35.49 ? 197 ASN A HB2 1 ATOM 2676 H HB3 . ASN A 1 185 ? -32.800 7.006 9.017 1.00 35.49 ? 197 ASN A HB3 1 ATOM 2677 H HD21 . ASN A 1 185 ? -33.709 4.448 6.296 1.00 37.45 ? 197 ASN A HD21 1 ATOM 2678 H HD22 . ASN A 1 185 ? -34.721 4.975 7.253 1.00 37.45 ? 197 ASN A HD22 1 ATOM 2679 N N . PRO A 1 186 ? -33.004 5.743 12.567 1.00 30.30 ? 198 PRO A N 1 ATOM 2680 C CA . PRO A 1 186 ? -32.979 6.562 13.777 1.00 30.88 ? 198 PRO A CA 1 ATOM 2681 C C . PRO A 1 186 ? -32.195 7.841 13.549 1.00 30.10 ? 198 PRO A C 1 ATOM 2682 O O . PRO A 1 186 ? -31.118 7.841 12.942 1.00 30.60 ? 198 PRO A O 1 ATOM 2683 C CB . PRO A 1 186 ? -32.319 5.649 14.811 1.00 32.23 ? 198 PRO A CB 1 ATOM 2684 C CG . PRO A 1 186 ? -32.641 4.274 14.330 1.00 31.85 ? 198 PRO A CG 1 ATOM 2685 C CD . PRO A 1 186 ? -32.576 4.357 12.848 1.00 30.73 ? 198 PRO A CD 1 ATOM 2686 H HA . PRO A 1 186 ? -33.880 6.778 14.062 1.00 37.06 ? 198 PRO A HA 1 ATOM 2687 H HB2 . PRO A 1 186 ? -31.361 5.798 14.820 1.00 38.68 ? 198 PRO A HB2 1 ATOM 2688 H HB3 . PRO A 1 186 ? -32.705 5.809 15.687 1.00 38.68 ? 198 PRO A HB3 1 ATOM 2689 H HG2 . PRO A 1 186 ? -31.983 3.647 14.668 1.00 38.22 ? 198 PRO A HG2 1 ATOM 2690 H HG3 . PRO A 1 186 ? -33.533 4.026 14.621 1.00 38.22 ? 198 PRO A HG3 1 ATOM 2691 H HD2 . PRO A 1 186 ? -31.667 4.214 12.540 1.00 36.88 ? 198 PRO A HD2 1 ATOM 2692 H HD3 . PRO A 1 186 ? -33.192 3.725 12.446 1.00 36.88 ? 198 PRO A HD3 1 ATOM 2693 N N . GLY A 1 187 ? -32.780 8.945 13.987 1.00 29.27 ? 199 GLY A N 1 ATOM 2694 C CA . GLY A 1 187 ? -32.175 10.252 13.832 1.00 30.38 ? 199 GLY A CA 1 ATOM 2695 C C . GLY A 1 187 ? -32.565 11.038 12.593 1.00 28.88 ? 199 GLY A C 1 ATOM 2696 O O . GLY A 1 187 ? -32.019 12.135 12.389 1.00 29.18 ? 199 GLY A O 1 ATOM 2697 H H . GLY A 1 187 ? -33.542 8.961 14.386 1.00 35.12 ? 199 GLY A H 1 ATOM 2698 H HA2 . GLY A 1 187 ? -32.403 10.792 14.605 1.00 36.45 ? 199 GLY A HA2 1 ATOM 2699 H HA3 . GLY A 1 187 ? -31.211 10.147 13.820 1.00 36.45 ? 199 GLY A HA3 1 ATOM 2700 N N . LEU A 1 188 ? -33.470 10.516 11.756 1.00 27.11 ? 200 LEU A N 1 ATOM 2701 C CA . LEU A 1 188 ? -33.946 11.161 10.536 1.00 24.80 ? 200 LEU A CA 1 ATOM 2702 C C . LEU A 1 188 ? -35.439 11.385 10.695 1.00 24.59 ? 200 LEU A C 1 ATOM 2703 O O . LEU A 1 188 ? -36.155 10.483 11.162 1.00 25.69 ? 200 LEU A O 1 ATOM 2704 C CB . LEU A 1 188 ? -33.706 10.253 9.330 1.00 24.05 ? 200 LEU A CB 1 ATOM 2705 C CG . LEU A 1 188 ? -34.184 10.823 7.984 1.00 24.35 ? 200 LEU A CG 1 ATOM 2706 C CD1 . LEU A 1 188 ? -33.476 12.109 7.647 1.00 25.88 ? 200 LEU A CD1 1 ATOM 2707 C CD2 . LEU A 1 188 ? -33.985 9.847 6.822 1.00 25.24 ? 200 LEU A CD2 1 ATOM 2708 H H . LEU A 1 188 ? -33.838 9.750 11.887 1.00 32.54 ? 200 LEU A H 1 ATOM 2709 H HA . LEU A 1 188 ? -33.500 12.012 10.401 1.00 29.76 ? 200 LEU A HA 1 ATOM 2710 H HB2 . LEU A 1 188 ? -32.753 10.086 9.255 1.00 28.85 ? 200 LEU A HB2 1 ATOM 2711 H HB3 . LEU A 1 188 ? -34.173 9.416 9.475 1.00 28.85 ? 200 LEU A HB3 1 ATOM 2712 H HG . LEU A 1 188 ? -35.132 11.016 8.048 1.00 29.22 ? 200 LEU A HG 1 ATOM 2713 H HD11 . LEU A 1 188 ? -33.803 12.435 6.794 1.00 31.05 ? 200 LEU A HD11 1 ATOM 2714 H HD12 . LEU A 1 188 ? -33.657 12.760 8.343 1.00 31.05 ? 200 LEU A HD12 1 ATOM 2715 H HD13 . LEU A 1 188 ? -32.522 11.939 7.592 1.00 31.05 ? 200 LEU A HD13 1 ATOM 2716 H HD21 . LEU A 1 188 ? -34.303 10.260 6.004 1.00 30.29 ? 200 LEU A HD21 1 ATOM 2717 H HD22 . LEU A 1 188 ? -33.040 9.640 6.742 1.00 30.29 ? 200 LEU A HD22 1 ATOM 2718 H HD23 . LEU A 1 188 ? -34.487 9.037 7.001 1.00 30.29 ? 200 LEU A HD23 1 ATOM 2719 N N . ARG A 1 189 ? -35.882 12.602 10.392 1.00 25.84 ? 201 ARG A N 1 ATOM 2720 C CA . ARG A 1 189 ? -37.288 12.964 10.348 1.00 25.91 ? 201 ARG A CA 1 ATOM 2721 C C . ARG A 1 189 ? -37.643 13.514 8.965 1.00 25.29 ? 201 ARG A C 1 ATOM 2722 O O . ARG A 1 189 ? -36.877 14.283 8.368 1.00 26.07 ? 201 ARG A O 1 ATOM 2723 C CB . ARG A 1 189 ? -37.614 13.999 11.453 1.00 25.73 ? 201 ARG A CB 1 ATOM 2724 C CG . ARG A 1 189 ? -39.035 14.577 11.430 1.00 25.94 ? 201 ARG A CG 1 ATOM 2725 C CD . ARG A 1 189 ? -39.260 15.556 12.596 1.00 26.77 ? 201 ARG A CD 1 ATOM 2726 N NE . ARG A 1 189 ? -39.082 14.814 13.850 1.00 28.16 ? 201 ARG A NE 1 ATOM 2727 C CZ . ARG A 1 189 ? -40.023 14.144 14.491 1.00 28.96 ? 201 ARG A CZ 1 ATOM 2728 N NH1 . ARG A 1 189 ? -41.297 14.171 14.097 1.00 29.93 ? 201 ARG A NH1 1 ATOM 2729 N NH2 . ARG A 1 189 ? -39.675 13.448 15.563 1.00 30.69 ? 201 ARG A NH2 1 ATOM 2730 H H . ARG A 1 189 ? -35.362 13.259 10.201 1.00 31.01 ? 201 ARG A H 1 ATOM 2731 H HA . ARG A 1 189 ? -37.827 12.173 10.507 1.00 31.09 ? 201 ARG A HA 1 ATOM 2732 H HB2 . ARG A 1 189 ? -37.487 13.575 12.316 1.00 30.88 ? 201 ARG A HB2 1 ATOM 2733 H HB3 . ARG A 1 189 ? -36.997 14.743 11.366 1.00 30.88 ? 201 ARG A HB3 1 ATOM 2734 H HG2 . ARG A 1 189 ? -39.173 15.056 10.598 1.00 31.13 ? 201 ARG A HG2 1 ATOM 2735 H HG3 . ARG A 1 189 ? -39.676 13.853 11.512 1.00 31.13 ? 201 ARG A HG3 1 ATOM 2736 H HD2 . ARG A 1 189 ? -38.607 16.272 12.558 1.00 32.12 ? 201 ARG A HD2 1 ATOM 2737 H HD3 . ARG A 1 189 ? -40.163 15.908 12.563 1.00 32.12 ? 201 ARG A HD3 1 ATOM 2738 H HE . ARG A 1 189 ? -38.296 14.816 14.199 1.00 33.79 ? 201 ARG A HE 1 ATOM 2739 H HH11 . ARG A 1 189 ? -41.519 14.605 13.388 1.00 35.92 ? 201 ARG A HH11 1 ATOM 2740 H HH12 . ARG A 1 189 ? -41.894 13.740 14.541 1.00 35.92 ? 201 ARG A HH12 1 ATOM 2741 H HH21 . ARG A 1 189 ? -38.857 13.451 15.829 1.00 36.83 ? 201 ARG A HH21 1 ATOM 2742 H HH22 . ARG A 1 189 ? -40.275 13.040 16.024 1.00 36.83 ? 201 ARG A HH22 1 ATOM 2743 N N . ILE A 1 190 ? -38.801 13.108 8.460 1.00 24.11 ? 202 ILE A N 1 ATOM 2744 C CA . ILE A 1 190 ? -39.376 13.671 7.235 1.00 22.59 ? 202 ILE A CA 1 ATOM 2745 C C . ILE A 1 190 ? -40.379 14.746 7.627 1.00 22.93 ? 202 ILE A C 1 ATOM 2746 O O . ILE A 1 190 ? -41.249 14.506 8.468 1.00 22.82 ? 202 ILE A O 1 ATOM 2747 C CB . ILE A 1 190 ? -40.083 12.596 6.392 1.00 24.31 ? 202 ILE A CB 1 ATOM 2748 C CG1 . ILE A 1 190 ? -39.175 11.391 6.123 1.00 26.37 ? 202 ILE A CG1 1 ATOM 2749 C CG2 . ILE A 1 190 ? -40.622 13.215 5.080 1.00 25.33 ? 202 ILE A CG2 1 ATOM 2750 C CD1 . ILE A 1 190 ? -37.855 11.745 5.459 1.00 27.03 ? 202 ILE A CD1 1 ATOM 2751 H H . ILE A 1 190 ? -39.287 12.493 8.814 1.00 28.93 ? 202 ILE A H 1 ATOM 2752 H HA . ILE A 1 190 ? -38.676 14.077 6.701 1.00 27.10 ? 202 ILE A HA 1 ATOM 2753 H HB . ILE A 1 190 ? -40.846 12.280 6.901 1.00 29.17 ? 202 ILE A HB 1 ATOM 2754 H HG12 . ILE A 1 190 ? -38.975 10.957 6.967 1.00 31.65 ? 202 ILE A HG12 1 ATOM 2755 H HG13 . ILE A 1 190 ? -39.642 10.772 5.540 1.00 31.65 ? 202 ILE A HG13 1 ATOM 2756 H HG21 . ILE A 1 190 ? -41.064 12.522 4.563 1.00 30.40 ? 202 ILE A HG21 1 ATOM 2757 H HG22 . ILE A 1 190 ? -41.254 13.918 5.299 1.00 30.40 ? 202 ILE A HG22 1 ATOM 2758 H HG23 . ILE A 1 190 ? -39.879 13.582 4.575 1.00 30.40 ? 202 ILE A HG23 1 ATOM 2759 H HD11 . ILE A 1 190 ? -37.342 10.934 5.324 1.00 32.44 ? 202 ILE A HD11 1 ATOM 2760 H HD12 . ILE A 1 190 ? -38.035 12.169 4.606 1.00 32.44 ? 202 ILE A HD12 1 ATOM 2761 H HD13 . ILE A 1 190 ? -37.366 12.354 6.035 1.00 32.44 ? 202 ILE A HD13 1 ATOM 2762 N N . ILE A 1 191 ? -40.260 15.924 7.017 1.00 22.97 ? 203 ILE A N 1 ATOM 2763 C CA . ILE A 1 191 ? -41.282 16.970 7.091 1.00 21.02 ? 203 ILE A CA 1 ATOM 2764 C C . ILE A 1 191 ? -41.968 17.027 5.747 1.00 20.25 ? 203 ILE A C 1 ATOM 2765 O O . ILE A 1 191 ? -41.337 17.386 4.742 1.00 22.77 ? 203 ILE A O 1 ATOM 2766 C CB . ILE A 1 191 ? -40.695 18.336 7.474 1.00 22.45 ? 203 ILE A CB 1 ATOM 2767 C CG1 . ILE A 1 191 ? -40.033 18.260 8.860 1.00 22.47 ? 203 ILE A CG1 1 ATOM 2768 C CG2 . ILE A 1 191 ? -41.779 19.427 7.413 1.00 23.97 ? 203 ILE A CG2 1 ATOM 2769 C CD1 . ILE A 1 191 ? -39.384 19.566 9.279 1.00 24.16 ? 203 ILE A CD1 1 ATOM 2770 H H . ILE A 1 191 ? -39.579 16.147 6.542 1.00 27.57 ? 203 ILE A H 1 ATOM 2771 H HA . ILE A 1 191 ? -41.941 16.725 7.759 1.00 25.22 ? 203 ILE A HA 1 ATOM 2772 H HB . ILE A 1 191 ? -40.008 18.560 6.826 1.00 26.94 ? 203 ILE A HB 1 ATOM 2773 H HG12 . ILE A 1 191 ? -40.708 18.037 9.520 1.00 26.96 ? 203 ILE A HG12 1 ATOM 2774 H HG13 . ILE A 1 191 ? -39.345 17.576 8.844 1.00 26.96 ? 203 ILE A HG13 1 ATOM 2775 H HG21 . ILE A 1 191 ? -41.384 20.279 7.659 1.00 28.77 ? 203 ILE A HG21 1 ATOM 2776 H HG22 . ILE A 1 191 ? -42.131 19.473 6.510 1.00 28.77 ? 203 ILE A HG22 1 ATOM 2777 H HG23 . ILE A 1 191 ? -42.490 19.201 8.034 1.00 28.77 ? 203 ILE A HG23 1 ATOM 2778 H HD11 . ILE A 1 191 ? -38.987 19.454 10.157 1.00 29.00 ? 203 ILE A HD11 1 ATOM 2779 H HD12 . ILE A 1 191 ? -38.699 19.800 8.633 1.00 29.00 ? 203 ILE A HD12 1 ATOM 2780 H HD13 . ILE A 1 191 ? -40.062 20.260 9.309 1.00 29.00 ? 203 ILE A HD13 1 ATOM 2781 N N . SER A 1 192 ? -43.265 16.739 5.750 1.00 19.93 ? 204 SER A N 1 ATOM 2782 C CA . SER A 1 192 ? -44.089 16.735 4.551 1.00 20.07 ? 204 SER A CA 1 ATOM 2783 C C . SER A 1 192 ? -44.977 17.972 4.602 1.00 20.88 ? 204 SER A C 1 ATOM 2784 O O . SER A 1 192 ? -45.971 18.017 5.338 1.00 22.48 ? 204 SER A O 1 ATOM 2785 C CB . SER A 1 192 ? -44.899 15.443 4.473 1.00 21.93 ? 204 SER A CB 1 ATOM 2786 O OG . SER A 1 192 ? -45.722 15.476 3.304 1.00 21.89 ? 204 SER A OG 1 ATOM 2787 H H . SER A 1 192 ? -43.703 16.536 6.462 1.00 23.91 ? 204 SER A H 1 ATOM 2788 H HA . SER A 1 192 ? -43.523 16.793 3.766 1.00 24.08 ? 204 SER A HA 1 ATOM 2789 H HB2 . SER A 1 192 ? -44.293 14.687 4.418 1.00 26.32 ? 204 SER A HB2 1 ATOM 2790 H HB3 . SER A 1 192 ? -45.460 15.367 5.260 1.00 26.32 ? 204 SER A HB3 1 ATOM 2791 H HG . SER A 1 192 ? -46.173 14.769 3.250 1.00 26.26 ? 204 SER A HG 1 ATOM 2792 N N . LEU A 1 193 ? -44.578 18.998 3.863 1.00 20.67 ? 205 LEU A N 1 ATOM 2793 C CA . LEU A 1 193 ? -45.347 20.236 3.791 1.00 21.51 ? 205 LEU A CA 1 ATOM 2794 C C . LEU A 1 193 ? -46.469 20.139 2.770 1.00 20.92 ? 205 LEU A C 1 ATOM 2795 O O . LEU A 1 193 ? -46.400 19.379 1.783 1.00 23.15 ? 205 LEU A O 1 ATOM 2796 C CB . LEU A 1 193 ? -44.442 21.395 3.384 1.00 22.16 ? 205 LEU A CB 1 ATOM 2797 C CG . LEU A 1 193 ? -43.289 21.652 4.368 1.00 23.29 ? 205 LEU A CG 1 ATOM 2798 C CD1 . LEU A 1 193 ? -42.373 22.705 3.818 1.00 23.70 ? 205 LEU A CD1 1 ATOM 2799 C CD2 . LEU A 1 193 ? -43.796 22.073 5.713 1.00 24.65 ? 205 LEU A CD2 1 ATOM 2800 H H . LEU A 1 193 ? -43.860 19.004 3.390 1.00 24.81 ? 205 LEU A H 1 ATOM 2801 H HA . LEU A 1 193 ? -45.732 20.433 4.660 1.00 25.82 ? 205 LEU A HA 1 ATOM 2802 H HB2 . LEU A 1 193 ? -44.054 21.200 2.517 1.00 26.59 ? 205 LEU A HB2 1 ATOM 2803 H HB3 . LEU A 1 193 ? -44.974 22.205 3.333 1.00 26.59 ? 205 LEU A HB3 1 ATOM 2804 H HG . LEU A 1 193 ? -42.778 20.835 4.479 1.00 27.95 ? 205 LEU A HG 1 ATOM 2805 H HD11 . LEU A 1 193 ? -41.651 22.856 4.449 1.00 28.44 ? 205 LEU A HD11 1 ATOM 2806 H HD12 . LEU A 1 193 ? -42.013 22.400 2.971 1.00 28.44 ? 205 LEU A HD12 1 ATOM 2807 H HD13 . LEU A 1 193 ? -42.876 23.524 3.689 1.00 28.44 ? 205 LEU A HD13 1 ATOM 2808 H HD21 . LEU A 1 193 ? -43.039 22.224 6.302 1.00 29.58 ? 205 LEU A HD21 1 ATOM 2809 H HD22 . LEU A 1 193 ? -44.308 22.890 5.616 1.00 29.58 ? 205 LEU A HD22 1 ATOM 2810 H HD23 . LEU A 1 193 ? -44.359 21.369 6.072 1.00 29.58 ? 205 LEU A HD23 1 ATOM 2811 N N . ASN A 1 194 ? -47.515 20.924 3.014 1.00 21.46 ? 206 ASN A N 1 ATOM 2812 C CA . ASN A 1 194 ? -48.570 21.175 2.036 1.00 21.17 ? 206 ASN A CA 1 ATOM 2813 C C . ASN A 1 194 ? -48.259 22.525 1.393 1.00 21.73 ? 206 ASN A C 1 ATOM 2814 O O . ASN A 1 194 ? -48.750 23.569 1.845 1.00 22.44 ? 206 ASN A O 1 ATOM 2815 C CB . ASN A 1 194 ? -49.901 21.230 2.780 1.00 21.39 ? 206 ASN A CB 1 ATOM 2816 C CG . ASN A 1 194 ? -51.100 21.378 1.866 1.00 21.90 ? 206 ASN A CG 1 ATOM 2817 O OD1 . ASN A 1 194 ? -50.970 21.561 0.662 1.00 22.61 ? 206 ASN A OD1 1 ATOM 2818 N ND2 . ASN A 1 194 ? -52.291 21.351 2.470 1.00 22.95 ? 206 ASN A ND2 1 ATOM 2819 H H . ASN A 1 194 ? -47.638 21.333 3.760 1.00 25.75 ? 206 ASN A H 1 ATOM 2820 H HA . ASN A 1 194 ? -48.593 20.480 1.360 1.00 25.41 ? 206 ASN A HA 1 ATOM 2821 H HB2 . ASN A 1 194 ? -50.011 20.409 3.285 1.00 25.67 ? 206 ASN A HB2 1 ATOM 2822 H HB3 . ASN A 1 194 ? -49.892 21.989 3.384 1.00 25.67 ? 206 ASN A HB3 1 ATOM 2823 H HD21 . ASN A 1 194 ? -53.011 21.430 2.006 1.00 27.54 ? 206 ASN A HD21 1 ATOM 2824 H HD22 . ASN A 1 194 ? -52.339 21.255 3.324 1.00 27.54 ? 206 ASN A HD22 1 ATOM 2825 N N . THR A 1 195 ? -47.432 22.521 0.328 1.00 20.72 ? 207 THR A N 1 ATOM 2826 C CA . THR A 1 195 ? -47.113 23.789 -0.325 1.00 20.97 ? 207 THR A CA 1 ATOM 2827 C C . THR A 1 195 ? -48.209 24.230 -1.277 1.00 21.85 ? 207 THR A C 1 ATOM 2828 O O . THR A 1 195 ? -48.144 25.346 -1.815 1.00 23.44 ? 207 THR A O 1 ATOM 2829 C CB . THR A 1 195 ? -45.760 23.720 -1.022 1.00 21.21 ? 207 THR A CB 1 ATOM 2830 O OG1 . THR A 1 195 ? -45.748 22.571 -1.869 1.00 21.10 ? 207 THR A OG1 1 ATOM 2831 C CG2 . THR A 1 195 ? -44.628 23.674 0.007 1.00 23.18 ? 207 THR A CG2 1 ATOM 2832 H H . THR A 1 195 ? -47.062 21.825 -0.017 1.00 24.87 ? 207 THR A H 1 ATOM 2833 H HA . THR A 1 195 ? -47.044 24.470 0.361 1.00 25.16 ? 207 THR A HA 1 ATOM 2834 H HB . THR A 1 195 ? -45.642 24.516 -1.565 1.00 25.45 ? 207 THR A HB 1 ATOM 2835 H HG1 . THR A 1 195 ? -45.010 22.514 -2.265 1.00 25.32 ? 207 THR A HG1 1 ATOM 2836 H HG21 . THR A 1 195 ? -43.771 23.630 -0.445 1.00 27.81 ? 207 THR A HG21 1 ATOM 2837 H HG22 . THR A 1 195 ? -44.651 24.469 0.562 1.00 27.81 ? 207 THR A HG22 1 ATOM 2838 H HG23 . THR A 1 195 ? -44.726 22.892 0.573 1.00 27.81 ? 207 THR A HG23 1 ATOM 2839 N N . ASN A 1 196 ? -49.256 23.418 -1.411 1.00 21.52 ? 208 ASN A N 1 ATOM 2840 C CA . ASN A 1 196 ? -50.412 23.826 -2.207 1.00 20.95 ? 208 ASN A CA 1 ATOM 2841 C C . ASN A 1 196 ? -51.166 24.955 -1.519 1.00 21.29 ? 208 ASN A C 1 ATOM 2842 O O . ASN A 1 196 ? -51.927 25.671 -2.177 1.00 22.63 ? 208 ASN A O 1 ATOM 2843 C CB . ASN A 1 196 ? -51.322 22.634 -2.429 1.00 21.84 ? 208 ASN A CB 1 ATOM 2844 C CG . ASN A 1 196 ? -50.567 21.429 -2.919 1.00 22.10 ? 208 ASN A CG 1 ATOM 2845 O OD1 . ASN A 1 196 ? -50.080 21.404 -4.052 1.00 24.47 ? 208 ASN A OD1 1 ATOM 2846 N ND2 . ASN A 1 196 ? -50.432 20.436 -2.065 1.00 21.65 ? 208 ASN A ND2 1 ATOM 2847 H H . ASN A 1 196 ? -49.322 22.637 -1.057 1.00 25.82 ? 208 ASN A H 1 ATOM 2848 H HA . ASN A 1 196 ? -50.110 24.144 -3.073 1.00 25.14 ? 208 ASN A HA 1 ATOM 2849 H HB2 . ASN A 1 196 ? -51.751 22.401 -1.591 1.00 26.21 ? 208 ASN A HB2 1 ATOM 2850 H HB3 . ASN A 1 196 ? -51.990 22.863 -3.094 1.00 26.21 ? 208 ASN A HB3 1 ATOM 2851 H HD21 . ASN A 1 196 ? -50.009 19.724 -2.297 1.00 25.98 ? 208 ASN A HD21 1 ATOM 2852 H HD22 . ASN A 1 196 ? -50.767 20.499 -1.276 1.00 25.98 ? 208 ASN A HD22 1 ATOM 2853 N N . LEU A 1 197 ? -50.951 25.139 -0.212 1.00 23.26 ? 209 LEU A N 1 ATOM 2854 C CA . LEU A 1 197 ? -51.520 26.285 0.466 1.00 22.23 ? 209 LEU A CA 1 ATOM 2855 C C . LEU A 1 197 ? -50.941 27.599 -0.045 1.00 24.13 ? 209 LEU A C 1 ATOM 2856 O O . LEU A 1 197 ? -51.536 28.652 0.183 1.00 23.63 ? 209 LEU A O 1 ATOM 2857 C CB . LEU A 1 197 ? -51.255 26.162 1.963 1.00 23.11 ? 209 LEU A CB 1 ATOM 2858 C CG . LEU A 1 197 ? -51.846 24.941 2.666 1.00 24.63 ? 209 LEU A CG 1 ATOM 2859 C CD1 . LEU A 1 197 ? -51.472 24.944 4.157 1.00 25.57 ? 209 LEU A CD1 1 ATOM 2860 C CD2 . LEU A 1 197 ? -53.376 24.901 2.500 1.00 26.27 ? 209 LEU A CD2 1 ATOM 2861 H H . LEU A 1 197 ? -50.485 24.619 0.289 1.00 27.91 ? 209 LEU A H 1 ATOM 2862 H HA . LEU A 1 197 ? -52.480 26.298 0.325 1.00 26.68 ? 209 LEU A HA 1 ATOM 2863 H HB2 . LEU A 1 197 ? -50.295 26.134 2.099 1.00 27.74 ? 209 LEU A HB2 1 ATOM 2864 H HB3 . LEU A 1 197 ? -51.618 26.948 2.400 1.00 27.74 ? 209 LEU A HB3 1 ATOM 2865 H HG . LEU A 1 197 ? -51.479 24.137 2.266 1.00 29.55 ? 209 LEU A HG 1 ATOM 2866 H HD11 . LEU A 1 197 ? -51.858 24.161 4.580 1.00 30.69 ? 209 LEU A HD11 1 ATOM 2867 H HD12 . LEU A 1 197 ? -50.506 24.922 4.240 1.00 30.69 ? 209 LEU A HD12 1 ATOM 2868 H HD13 . LEU A 1 197 ? -51.822 25.749 4.568 1.00 30.69 ? 209 LEU A HD13 1 ATOM 2869 H HD21 . LEU A 1 197 ? -53.722 24.118 2.955 1.00 31.52 ? 209 LEU A HD21 1 ATOM 2870 H HD22 . LEU A 1 197 ? -53.757 25.705 2.887 1.00 31.52 ? 209 LEU A HD22 1 ATOM 2871 H HD23 . LEU A 1 197 ? -53.589 24.856 1.555 1.00 31.52 ? 209 LEU A HD23 1 ATOM 2872 N N . TYR A 1 198 ? -49.800 27.554 -0.721 1.00 23.03 ? 210 TYR A N 1 ATOM 2873 C CA . TYR A 1 198 ? -49.099 28.732 -1.202 1.00 22.38 ? 210 TYR A CA 1 ATOM 2874 C C . TYR A 1 198 ? -49.161 28.880 -2.719 1.00 24.35 ? 210 TYR A C 1 ATOM 2875 O O . TYR A 1 198 ? -48.594 29.828 -3.251 1.00 25.92 ? 210 TYR A O 1 ATOM 2876 C CB . TYR A 1 198 ? -47.634 28.640 -0.781 1.00 21.49 ? 210 TYR A CB 1 ATOM 2877 C CG . TYR A 1 198 ? -47.453 28.309 0.671 1.00 22.21 ? 210 TYR A CG 1 ATOM 2878 C CD1 . TYR A 1 198 ? -48.149 29.015 1.655 1.00 22.72 ? 210 TYR A CD1 1 ATOM 2879 C CD2 . TYR A 1 198 ? -46.553 27.328 1.071 1.00 23.27 ? 210 TYR A CD2 1 ATOM 2880 C CE1 . TYR A 1 198 ? -47.982 28.729 2.994 1.00 23.20 ? 210 TYR A CE1 1 ATOM 2881 C CE2 . TYR A 1 198 ? -46.377 27.011 2.417 1.00 23.45 ? 210 TYR A CE2 1 ATOM 2882 C CZ . TYR A 1 198 ? -47.075 27.720 3.378 1.00 23.57 ? 210 TYR A CZ 1 ATOM 2883 O OH . TYR A 1 198 ? -46.895 27.375 4.704 1.00 24.15 ? 210 TYR A OH 1 ATOM 2884 H H . TYR A 1 198 ? -49.399 26.820 -0.920 1.00 27.63 ? 210 TYR A H 1 ATOM 2885 H HA . TYR A 1 198 ? -49.486 29.525 -0.800 1.00 26.86 ? 210 TYR A HA 1 ATOM 2886 H HB2 . TYR A 1 198 ? -47.200 27.945 -1.301 1.00 25.78 ? 210 TYR A HB2 1 ATOM 2887 H HB3 . TYR A 1 198 ? -47.205 29.494 -0.948 1.00 25.78 ? 210 TYR A HB3 1 ATOM 2888 H HD1 . TYR A 1 198 ? -48.746 29.682 1.402 1.00 27.27 ? 210 TYR A HD1 1 ATOM 2889 H HD2 . TYR A 1 198 ? -46.082 26.851 0.425 1.00 27.92 ? 210 TYR A HD2 1 ATOM 2890 H HE1 . TYR A 1 198 ? -48.463 29.197 3.637 1.00 27.84 ? 210 TYR A HE1 1 ATOM 2891 H HE2 . TYR A 1 198 ? -45.780 26.343 2.668 1.00 28.14 ? 210 TYR A HE2 1 ATOM 2892 H HH . TYR A 1 198 ? -46.325 26.761 4.766 1.00 28.97 ? 210 TYR A HH 1 ATOM 2893 N N . TYR A 1 199 ? -49.822 27.959 -3.416 1.00 23.91 ? 211 TYR A N 1 ATOM 2894 C CA . TYR A 1 199 ? -49.844 27.906 -4.862 1.00 23.27 ? 211 TYR A CA 1 ATOM 2895 C C . TYR A 1 199 ? -50.851 28.925 -5.378 1.00 23.88 ? 211 TYR A C 1 ATOM 2896 O O . TYR A 1 199 ? -51.968 29.059 -4.842 1.00 25.71 ? 211 TYR A O 1 ATOM 2897 C CB . TYR A 1 199 ? -50.240 26.475 -5.209 1.00 24.58 ? 211 TYR A CB 1 ATOM 2898 C CG . TYR A 1 199 ? -50.251 26.119 -6.672 1.00 24.67 ? 211 TYR A CG 1 ATOM 2899 C CD1 . TYR A 1 199 ? -49.226 26.494 -7.518 1.00 25.11 ? 211 TYR A CD1 1 ATOM 2900 C CD2 . TYR A 1 199 ? -51.311 25.387 -7.199 1.00 26.13 ? 211 TYR A CD2 1 ATOM 2901 C CE1 . TYR A 1 199 ? -49.261 26.135 -8.890 1.00 26.99 ? 211 TYR A CE1 1 ATOM 2902 C CE2 . TYR A 1 199 ? -51.356 24.989 -8.515 1.00 27.23 ? 211 TYR A CE2 1 ATOM 2903 C CZ . TYR A 1 199 ? -50.333 25.389 -9.383 1.00 27.99 ? 211 TYR A CZ 1 ATOM 2904 O OH . TYR A 1 199 ? -50.363 25.074 -10.736 1.00 30.38 ? 211 TYR A OH 1 ATOM 2905 H H . TYR A 1 199 ? -50.283 27.331 -3.051 1.00 28.69 ? 211 TYR A H 1 ATOM 2906 H HA . TYR A 1 199 ? -48.965 28.099 -5.226 1.00 27.92 ? 211 TYR A HA 1 ATOM 2907 H HB2 . TYR A 1 199 ? -49.619 25.873 -4.771 1.00 29.50 ? 211 TYR A HB2 1 ATOM 2908 H HB3 . TYR A 1 199 ? -51.135 26.317 -4.868 1.00 29.50 ? 211 TYR A HB3 1 ATOM 2909 H HD1 . TYR A 1 199 ? -48.512 26.990 -7.189 1.00 30.14 ? 211 TYR A HD1 1 ATOM 2910 H HD2 . TYR A 1 199 ? -51.993 25.115 -6.628 1.00 31.36 ? 211 TYR A HD2 1 ATOM 2911 H HE1 . TYR A 1 199 ? -48.574 26.398 -9.459 1.00 32.39 ? 211 TYR A HE1 1 ATOM 2912 H HE2 . TYR A 1 199 ? -52.088 24.515 -8.838 1.00 32.68 ? 211 TYR A HE2 1 ATOM 2913 H HH . TYR A 1 199 ? -51.051 24.626 -10.911 1.00 36.46 ? 211 TYR A HH 1 ATOM 2914 N N . GLY A 1 200 ? -50.434 29.664 -6.395 1.00 25.36 ? 212 GLY A N 1 ATOM 2915 C CA . GLY A 1 200 ? -51.184 30.783 -6.930 1.00 27.16 ? 212 GLY A CA 1 ATOM 2916 C C . GLY A 1 200 ? -52.655 30.509 -7.165 1.00 27.30 ? 212 GLY A C 1 ATOM 2917 O O . GLY A 1 200 ? -53.515 31.286 -6.770 1.00 27.32 ? 212 GLY A O 1 ATOM 2918 H H . GLY A 1 200 ? -49.691 29.529 -6.805 1.00 30.44 ? 212 GLY A H 1 ATOM 2919 H HA2 . GLY A 1 200 ? -51.113 31.531 -6.317 1.00 32.59 ? 212 GLY A HA2 1 ATOM 2920 H HA3 . GLY A 1 200 ? -50.790 31.049 -7.776 1.00 32.59 ? 212 GLY A HA3 1 ATOM 2921 N N . PRO A 1 201 ? -52.976 29.406 -7.839 1.00 26.60 ? 213 PRO A N 1 ATOM 2922 C CA . PRO A 1 201 ? -54.384 29.127 -8.138 1.00 26.29 ? 213 PRO A CA 1 ATOM 2923 C C . PRO A 1 201 ? -55.245 28.818 -6.919 1.00 26.97 ? 213 PRO A C 1 ATOM 2924 O O . PRO A 1 201 ? -56.464 28.708 -7.093 1.00 28.67 ? 213 PRO A O 1 ATOM 2925 C CB . PRO A 1 201 ? -54.316 27.915 -9.079 1.00 27.23 ? 213 PRO A CB 1 ATOM 2926 C CG . PRO A 1 201 ? -52.990 28.037 -9.737 1.00 27.91 ? 213 PRO A CG 1 ATOM 2927 C CD . PRO A 1 201 ? -52.079 28.554 -8.622 1.00 27.09 ? 213 PRO A CD 1 ATOM 2928 H HA . PRO A 1 201 ? -54.774 29.875 -8.617 1.00 31.55 ? 213 PRO A HA 1 ATOM 2929 H HB2 . PRO A 1 201 ? -54.373 27.094 -8.564 1.00 32.68 ? 213 PRO A HB2 1 ATOM 2930 H HB3 . PRO A 1 201 ? -55.032 27.964 -9.732 1.00 32.68 ? 213 PRO A HB3 1 ATOM 2931 H HG2 . PRO A 1 201 ? -52.695 27.168 -10.052 1.00 33.50 ? 213 PRO A HG2 1 ATOM 2932 H HG3 . PRO A 1 201 ? -53.040 28.674 -10.467 1.00 33.50 ? 213 PRO A HG3 1 ATOM 2933 H HD2 . PRO A 1 201 ? -51.752 27.818 -8.081 1.00 32.51 ? 213 PRO A HD2 1 ATOM 2934 H HD3 . PRO A 1 201 ? -51.351 29.077 -8.993 1.00 32.51 ? 213 PRO A HD3 1 ATOM 2935 N N . ASN A 1 202 ? -54.679 28.680 -5.713 1.00 25.41 ? 214 ASN A N 1 ATOM 2936 C CA . ASN A 1 202 ? -55.485 28.357 -4.537 1.00 24.50 ? 214 ASN A CA 1 ATOM 2937 C C . ASN A 1 202 ? -56.214 29.604 -4.058 1.00 26.44 ? 214 ASN A C 1 ATOM 2938 O O . ASN A 1 202 ? -55.610 30.480 -3.430 1.00 28.00 ? 214 ASN A O 1 ATOM 2939 C CB . ASN A 1 202 ? -54.620 27.759 -3.425 1.00 24.19 ? 214 ASN A CB 1 ATOM 2940 C CG . ASN A 1 202 ? -55.452 27.177 -2.301 1.00 23.77 ? 214 ASN A CG 1 ATOM 2941 O OD1 . ASN A 1 202 ? -56.603 27.535 -2.131 1.00 24.92 ? 214 ASN A OD1 1 ATOM 2942 N ND2 . ASN A 1 202 ? -54.851 26.330 -1.492 1.00 24.43 ? 214 ASN A ND2 1 ATOM 2943 H H . ASN A 1 202 ? -53.838 28.769 -5.554 1.00 30.49 ? 214 ASN A H 1 ATOM 2944 H HA . ASN A 1 202 ? -56.152 27.697 -4.784 1.00 29.40 ? 214 ASN A HA 1 ATOM 2945 H HB2 . ASN A 1 202 ? -54.073 27.048 -3.795 1.00 29.03 ? 214 ASN A HB2 1 ATOM 2946 H HB3 . ASN A 1 202 ? -54.055 28.454 -3.053 1.00 29.03 ? 214 ASN A HB3 1 ATOM 2947 H HD21 . ASN A 1 202 ? -55.285 25.975 -0.841 1.00 29.31 ? 214 ASN A HD21 1 ATOM 2948 H HD22 . ASN A 1 202 ? -54.023 26.131 -1.616 1.00 29.31 ? 214 ASN A HD22 1 ATOM 2949 N N . ILE A 1 203 ? -57.527 29.681 -4.302 1.00 25.10 ? 215 ILE A N 1 ATOM 2950 C CA . ILE A 1 203 ? -58.289 30.862 -3.904 1.00 26.95 ? 215 ILE A CA 1 ATOM 2951 C C . ILE A 1 203 ? -58.797 30.783 -2.469 1.00 27.24 ? 215 ILE A C 1 ATOM 2952 O O . ILE A 1 203 ? -59.459 31.718 -1.996 1.00 28.25 ? 215 ILE A O 1 ATOM 2953 C CB . ILE A 1 203 ? -59.394 31.181 -4.933 1.00 27.61 ? 215 ILE A CB 1 ATOM 2954 C CG1 . ILE A 1 203 ? -60.322 30.002 -5.178 1.00 29.28 ? 215 ILE A CG1 1 ATOM 2955 C CG2 . ILE A 1 203 ? -58.737 31.605 -6.218 1.00 27.87 ? 215 ILE A CG2 1 ATOM 2956 C CD1 . ILE A 1 203 ? -61.490 30.360 -6.125 1.00 31.87 ? 215 ILE A CD1 1 ATOM 2957 H H . ILE A 1 203 ? -57.991 29.071 -4.692 1.00 30.12 ? 215 ILE A H 1 ATOM 2958 H HA . ILE A 1 203 ? -57.677 31.615 -3.928 1.00 32.34 ? 215 ILE A HA 1 ATOM 2959 H HB . ILE A 1 203 ? -59.922 31.923 -4.597 1.00 33.13 ? 215 ILE A HB 1 ATOM 2960 H HG12 . ILE A 1 203 ? -59.816 29.280 -5.582 1.00 35.14 ? 215 ILE A HG12 1 ATOM 2961 H HG13 . ILE A 1 203 ? -60.697 29.713 -4.331 1.00 35.14 ? 215 ILE A HG13 1 ATOM 2962 H HG21 . ILE A 1 203 ? -59.425 31.808 -6.872 1.00 33.44 ? 215 ILE A HG21 1 ATOM 2963 H HG22 . ILE A 1 203 ? -58.196 32.393 -6.051 1.00 33.44 ? 215 ILE A HG22 1 ATOM 2964 H HG23 . ILE A 1 203 ? -58.178 30.881 -6.540 1.00 33.44 ? 215 ILE A HG23 1 ATOM 2965 H HD11 . ILE A 1 203 ? -62.049 29.576 -6.247 1.00 38.24 ? 215 ILE A HD11 1 ATOM 2966 H HD12 . ILE A 1 203 ? -62.009 31.078 -5.729 1.00 38.24 ? 215 ILE A HD12 1 ATOM 2967 H HD13 . ILE A 1 203 ? -61.128 30.645 -6.978 1.00 38.24 ? 215 ILE A HD13 1 ATOM 2968 N N . MET A 1 204 ? -58.489 29.706 -1.761 1.00 28.02 ? 216 MET A N 1 ATOM 2969 C CA . MET A 1 204 ? -58.877 29.536 -0.374 1.00 30.96 ? 216 MET A CA 1 ATOM 2970 C C . MET A 1 204 ? -57.880 30.155 0.594 1.00 32.75 ? 216 MET A C 1 ATOM 2971 O O . MET A 1 204 ? -58.203 30.237 1.765 1.00 37.29 ? 216 MET A O 1 ATOM 2972 C CB . MET A 1 204 ? -59.001 28.052 -0.030 1.00 34.12 ? 216 MET A CB 1 ATOM 2973 C CG . MET A 1 204 ? -59.902 27.251 -0.920 1.00 37.38 ? 216 MET A CG 1 ATOM 2974 S SD . MET A 1 204 ? -61.566 27.881 -0.836 1.00 43.71 ? 216 MET A SD 1 ATOM 2975 C CE . MET A 1 204 ? -61.888 27.944 -2.533 1.00 43.79 ? 216 MET A CE 1 ATOM 2976 H H . MET A 1 204 ? -58.043 29.042 -2.075 1.00 33.63 ? 216 MET A H 1 ATOM 2977 H HA . MET A 1 204 ? -59.745 29.948 -0.238 1.00 37.15 ? 216 MET A HA 1 ATOM 2978 H HB2 . MET A 1 204 ? -58.118 27.653 -0.076 1.00 40.95 ? 216 MET A HB2 1 ATOM 2979 H HB3 . MET A 1 204 ? -59.344 27.975 0.874 1.00 40.95 ? 216 MET A HB3 1 ATOM 2980 H HG2 . MET A 1 204 ? -59.594 27.317 -1.838 1.00 44.86 ? 216 MET A HG2 1 ATOM 2981 H HG3 . MET A 1 204 ? -59.908 26.326 -0.629 1.00 44.86 ? 216 MET A HG3 1 ATOM 2982 H HE1 . MET A 1 204 ? -62.788 28.279 -2.672 1.00 52.55 ? 216 MET A HE1 1 ATOM 2983 H HE2 . MET A 1 204 ? -61.246 28.538 -2.954 1.00 52.55 ? 216 MET A HE2 1 ATOM 2984 H HE3 . MET A 1 204 ? -61.806 27.052 -2.903 1.00 52.55 ? 216 MET A HE3 1 ATOM 2985 N N . THR A 1 205 ? -56.681 30.558 0.138 1.00 33.43 ? 217 THR A N 1 ATOM 2986 C CA . THR A 1 205 ? -55.596 31.058 0.993 1.00 34.48 ? 217 THR A CA 1 ATOM 2987 C C . THR A 1 205 ? -55.141 32.469 0.625 1.00 37.72 ? 217 THR A C 1 ATOM 2988 O O . THR A 1 205 ? -54.127 32.944 1.170 1.00 39.05 ? 217 THR A O 1 ATOM 2989 C CB . THR A 1 205 ? -54.367 30.154 0.935 1.00 35.26 ? 217 THR A CB 1 ATOM 2990 O OG1 . THR A 1 205 ? -53.814 30.188 -0.403 1.00 35.48 ? 217 THR A OG1 1 ATOM 2991 C CG2 . THR A 1 205 ? -54.717 28.698 1.317 1.00 33.98 ? 217 THR A CG2 1 ATOM 2992 H H . THR A 1 205 ? -56.470 30.548 -0.695 1.00 40.12 ? 217 THR A H 1 ATOM 2993 H HA . THR A 1 205 ? -55.907 31.077 1.912 1.00 41.38 ? 217 THR A HA 1 ATOM 2994 H HB . THR A 1 205 ? -53.703 30.480 1.562 1.00 42.31 ? 217 THR A HB 1 ATOM 2995 H HG1 . THR A 1 205 ? -53.137 29.693 -0.446 1.00 42.57 ? 217 THR A HG1 1 ATOM 2996 H HG21 . THR A 1 205 ? -53.922 28.144 1.273 1.00 40.77 ? 217 THR A HG21 1 ATOM 2997 H HG22 . THR A 1 205 ? -55.073 28.668 2.218 1.00 40.77 ? 217 THR A HG22 1 ATOM 2998 H HG23 . THR A 1 205 ? -55.381 28.346 0.704 1.00 40.77 ? 217 THR A HG23 1 ATOM 2999 N N . LEU A 1 206 ? -55.866 33.174 -0.240 1.00 40.04 ? 218 LEU A N 1 ATOM 3000 C CA . LEU A 1 206 ? -55.415 34.487 -0.681 1.00 42.35 ? 218 LEU A CA 1 ATOM 3001 C C . LEU A 1 206 ? -55.275 35.428 0.510 1.00 43.76 ? 218 LEU A C 1 ATOM 3002 O O . LEU A 1 206 ? -56.189 35.558 1.331 1.00 45.50 ? 218 LEU A O 1 ATOM 3003 C CB . LEU A 1 206 ? -56.388 35.065 -1.728 1.00 43.83 ? 218 LEU A CB 1 ATOM 3004 C CG . LEU A 1 206 ? -56.366 34.373 -3.101 1.00 45.06 ? 218 LEU A CG 1 ATOM 3005 C CD1 . LEU A 1 206 ? -57.619 34.677 -3.936 1.00 45.08 ? 218 LEU A CD1 1 ATOM 3006 C CD2 . LEU A 1 206 ? -55.128 34.771 -3.900 1.00 46.10 ? 218 LEU A CD2 1 ATOM 3007 H H . LEU A 1 206 ? -56.612 32.918 -0.582 1.00 48.05 ? 218 LEU A H 1 ATOM 3008 H HA . LEU A 1 206 ? -54.544 34.398 -1.098 1.00 50.82 ? 218 LEU A HA 1 ATOM 3009 H HB2 . LEU A 1 206 ? -57.291 34.993 -1.381 1.00 52.60 ? 218 LEU A HB2 1 ATOM 3010 H HB3 . LEU A 1 206 ? -56.168 35.999 -1.869 1.00 52.60 ? 218 LEU A HB3 1 ATOM 3011 H HG . LEU A 1 206 ? -56.331 33.413 -2.964 1.00 54.08 ? 218 LEU A HG 1 ATOM 3012 H HD11 . LEU A 1 206 ? -57.550 34.217 -4.787 1.00 54.09 ? 218 LEU A HD11 1 ATOM 3013 H HD12 . LEU A 1 206 ? -58.402 34.368 -3.454 1.00 54.09 ? 218 LEU A HD12 1 ATOM 3014 H HD13 . LEU A 1 206 ? -57.676 35.635 -4.080 1.00 54.09 ? 218 LEU A HD13 1 ATOM 3015 H HD21 . LEU A 1 206 ? -55.147 34.318 -4.757 1.00 55.32 ? 218 LEU A HD21 1 ATOM 3016 H HD22 . LEU A 1 206 ? -55.134 35.732 -4.033 1.00 55.32 ? 218 LEU A HD22 1 ATOM 3017 H HD23 . LEU A 1 206 ? -54.336 34.510 -3.405 1.00 55.32 ? 218 LEU A HD23 1 ATOM 3018 N N . ASN A 1 207 ? -54.099 36.050 0.625 1.00 43.80 ? 219 ASN A N 1 ATOM 3019 C CA . ASN A 1 207 ? -53.803 37.131 1.568 1.00 44.26 ? 219 ASN A CA 1 ATOM 3020 C C . ASN A 1 207 ? -53.617 36.675 3.017 1.00 42.35 ? 219 ASN A C 1 ATOM 3021 O O . ASN A 1 207 ? -53.538 37.521 3.914 1.00 42.16 ? 219 ASN A O 1 ATOM 3022 C CB . ASN A 1 207 ? -54.860 38.240 1.500 1.00 47.89 ? 219 ASN A CB 1 ATOM 3023 C CG . ASN A 1 207 ? -54.354 39.563 2.018 1.00 52.10 ? 219 ASN A CG 1 ATOM 3024 O OD1 . ASN A 1 207 ? -54.978 40.161 2.881 1.00 52.48 ? 219 ASN A OD1 1 ATOM 3025 N ND2 . ASN A 1 207 ? -53.215 40.028 1.488 1.00 56.72 ? 219 ASN A ND2 1 ATOM 3026 H H . ASN A 1 207 ? -53.420 35.848 0.138 1.00 52.56 ? 219 ASN A H 1 ATOM 3027 H HA . ASN A 1 207 ? -52.963 37.532 1.295 1.00 53.11 ? 219 ASN A HA 1 ATOM 3028 H HB2 . ASN A 1 207 ? -55.129 38.363 0.576 1.00 57.47 ? 219 ASN A HB2 1 ATOM 3029 H HB3 . ASN A 1 207 ? -55.625 37.980 2.036 1.00 57.47 ? 219 ASN A HB3 1 ATOM 3030 H HD21 . ASN A 1 207 ? -52.824 39.554 0.886 1.00 68.06 ? 219 ASN A HD21 1 ATOM 3031 N N . LYS A 1 208 ? -53.513 35.383 3.297 1.00 41.85 ? 220 LYS A N 1 ATOM 3032 C CA . LYS A 1 208 ? -53.319 34.930 4.672 1.00 39.90 ? 220 LYS A CA 1 ATOM 3033 C C . LYS A 1 208 ? -51.833 34.893 5.014 1.00 35.04 ? 220 LYS A C 1 ATOM 3034 O O . LYS A 1 208 ? -51.033 34.415 4.216 1.00 35.25 ? 220 LYS A O 1 ATOM 3035 C CB . LYS A 1 208 ? -53.978 33.565 4.831 1.00 44.46 ? 220 LYS A CB 1 ATOM 3036 C CG . LYS A 1 208 ? -55.493 33.706 4.752 1.00 47.51 ? 220 LYS A CG 1 ATOM 3037 C CD . LYS A 1 208 ? -56.150 32.465 4.197 1.00 49.67 ? 220 LYS A CD 1 ATOM 3038 C CE . LYS A 1 208 ? -57.624 32.438 4.603 1.00 51.84 ? 220 LYS A CE 1 ATOM 3039 N NZ . LYS A 1 208 ? -58.377 33.608 4.049 1.00 52.66 ? 220 LYS A NZ 1 ATOM 3040 H H . LYS A 1 208 ? -53.551 34.751 2.716 1.00 50.22 ? 220 LYS A H 1 ATOM 3041 H HA . LYS A 1 208 ? -53.755 35.550 5.278 1.00 47.89 ? 220 LYS A HA 1 ATOM 3042 H HB2 . LYS A 1 208 ? -53.685 32.978 4.117 1.00 53.35 ? 220 LYS A HB2 1 ATOM 3043 H HB3 . LYS A 1 208 ? -53.747 33.191 5.696 1.00 53.35 ? 220 LYS A HB3 1 ATOM 3044 H HG2 . LYS A 1 208 ? -55.845 33.861 5.643 1.00 57.01 ? 220 LYS A HG2 1 ATOM 3045 H HG3 . LYS A 1 208 ? -55.714 34.450 4.171 1.00 57.01 ? 220 LYS A HG3 1 ATOM 3046 H HD2 . LYS A 1 208 ? -56.096 32.473 3.229 1.00 59.60 ? 220 LYS A HD2 1 ATOM 3047 H HD3 . LYS A 1 208 ? -55.715 31.677 4.558 1.00 59.60 ? 220 LYS A HD3 1 ATOM 3048 H HE2 . LYS A 1 208 ? -58.034 31.626 4.264 1.00 62.21 ? 220 LYS A HE2 1 ATOM 3049 H HE3 . LYS A 1 208 ? -57.689 32.466 5.571 1.00 62.21 ? 220 LYS A HE3 1 ATOM 3050 H HZ1 . LYS A 1 208 ? -59.230 33.567 4.300 1.00 63.19 ? 220 LYS A HZ1 1 ATOM 3051 H HZ2 . LYS A 1 208 ? -58.023 34.367 4.350 1.00 63.19 ? 220 LYS A HZ2 1 ATOM 3052 H HZ3 . LYS A 1 208 ? -58.337 33.603 3.160 1.00 63.19 ? 220 LYS A HZ3 1 ATOM 3053 N N . THR A 1 209 ? -51.450 35.430 6.188 1.00 32.15 ? 221 THR A N 1 ATOM 3054 C CA . THR A 1 209 ? -50.019 35.506 6.492 1.00 31.61 ? 221 THR A CA 1 ATOM 3055 C C . THR A 1 209 ? -49.424 34.139 6.791 1.00 28.95 ? 221 THR A C 1 ATOM 3056 O O . THR A 1 209 ? -48.254 33.900 6.477 1.00 28.71 ? 221 THR A O 1 ATOM 3057 C CB . THR A 1 209 ? -49.714 36.470 7.637 1.00 34.84 ? 221 THR A CB 1 ATOM 3058 O OG1 . THR A 1 209 ? -50.272 35.963 8.839 1.00 37.13 ? 221 THR A OG1 1 ATOM 3059 C CG2 . THR A 1 209 ? -50.309 37.831 7.387 1.00 36.48 ? 221 THR A CG2 1 ATOM 3060 H H . THR A 1 209 ? -51.975 35.741 6.795 1.00 38.58 ? 221 THR A H 1 ATOM 3061 H HA . THR A 1 209 ? -49.565 35.847 5.705 1.00 37.93 ? 221 THR A HA 1 ATOM 3062 H HB . THR A 1 209 ? -48.754 36.565 7.738 1.00 41.81 ? 221 THR A HB 1 ATOM 3063 H HG1 . THR A 1 209 ? -50.109 36.486 9.476 1.00 44.55 ? 221 THR A HG1 1 ATOM 3064 H HG21 . THR A 1 209 ? -50.102 38.424 8.126 1.00 43.77 ? 221 THR A HG21 1 ATOM 3065 H HG22 . THR A 1 209 ? -49.945 38.207 6.570 1.00 43.77 ? 221 THR A HG22 1 ATOM 3066 H HG23 . THR A 1 209 ? -51.273 37.760 7.299 1.00 43.77 ? 221 THR A HG23 1 ATOM 3067 N N . ASP A 1 210 ? -50.191 33.237 7.402 1.00 27.35 ? 222 ASP A N 1 ATOM 3068 C CA . ASP A 1 210 ? -49.692 31.909 7.774 1.00 27.37 ? 222 ASP A CA 1 ATOM 3069 C C . ASP A 1 210 ? -50.831 30.907 7.644 1.00 26.80 ? 222 ASP A C 1 ATOM 3070 O O . ASP A 1 210 ? -51.392 30.433 8.640 1.00 27.38 ? 222 ASP A O 1 ATOM 3071 C CB . ASP A 1 210 ? -49.096 31.906 9.191 1.00 27.18 ? 222 ASP A CB 1 ATOM 3072 C CG . ASP A 1 210 ? -48.387 30.586 9.551 1.00 27.05 ? 222 ASP A CG 1 ATOM 3073 O OD1 . ASP A 1 210 ? -48.312 29.698 8.670 1.00 26.70 ? 222 ASP A OD1 1 ATOM 3074 O OD2 . ASP A 1 210 ? -47.901 30.415 10.727 1.00 27.13 ? 222 ASP A OD2 1 ATOM 3075 H H . ASP A 1 210 ? -51.013 33.370 7.616 1.00 32.82 ? 222 ASP A H 1 ATOM 3076 H HA . ASP A 1 210 ? -48.993 31.649 7.154 1.00 32.84 ? 222 ASP A HA 1 ATOM 3077 H HB2 . ASP A 1 210 ? -48.446 32.622 9.260 1.00 32.62 ? 222 ASP A HB2 1 ATOM 3078 H HB3 . ASP A 1 210 ? -49.810 32.045 9.833 1.00 32.62 ? 222 ASP A HB3 1 ATOM 3079 N N . PRO A 1 211 ? -51.197 30.557 6.419 1.00 27.09 ? 223 PRO A N 1 ATOM 3080 C CA . PRO A 1 211 ? -52.292 29.595 6.216 1.00 28.45 ? 223 PRO A CA 1 ATOM 3081 C C . PRO A 1 211 ? -52.098 28.253 6.918 1.00 27.35 ? 223 PRO A C 1 ATOM 3082 O O . PRO A 1 211 ? -51.042 27.605 6.831 1.00 26.42 ? 223 PRO A O 1 ATOM 3083 C CB . PRO A 1 211 ? -52.347 29.428 4.695 1.00 29.53 ? 223 PRO A CB 1 ATOM 3084 C CG . PRO A 1 211 ? -51.192 30.077 4.172 1.00 30.42 ? 223 PRO A CG 1 ATOM 3085 C CD . PRO A 1 211 ? -50.668 31.059 5.153 1.00 28.62 ? 223 PRO A CD 1 ATOM 3086 H HA . PRO A 1 211 ? -53.128 29.984 6.516 1.00 34.13 ? 223 PRO A HA 1 ATOM 3087 H HB2 . PRO A 1 211 ? -52.334 28.484 4.474 1.00 35.44 ? 223 PRO A HB2 1 ATOM 3088 H HB3 . PRO A 1 211 ? -53.154 29.845 4.354 1.00 35.44 ? 223 PRO A HB3 1 ATOM 3089 H HG2 . PRO A 1 211 ? -50.516 29.407 3.986 1.00 36.50 ? 223 PRO A HG2 1 ATOM 3090 H HG3 . PRO A 1 211 ? -51.436 30.533 3.351 1.00 36.50 ? 223 PRO A HG3 1 ATOM 3091 H HD2 . PRO A 1 211 ? -49.698 31.047 5.162 1.00 34.34 ? 223 PRO A HD2 1 ATOM 3092 H HD3 . PRO A 1 211 ? -51.014 31.945 4.966 1.00 34.34 ? 223 PRO A HD3 1 ATOM 3093 N N . ALA A 1 212 ? -53.139 27.846 7.638 1.00 26.85 ? 224 ALA A N 1 ATOM 3094 C CA . ALA A 1 212 ? -53.141 26.628 8.441 1.00 26.60 ? 224 ALA A CA 1 ATOM 3095 C C . ALA A 1 212 ? -52.043 26.622 9.506 1.00 25.98 ? 224 ALA A C 1 ATOM 3096 O O . ALA A 1 212 ? -51.740 25.572 10.068 1.00 25.44 ? 224 ALA A O 1 ATOM 3097 C CB . ALA A 1 212 ? -53.063 25.365 7.565 1.00 26.80 ? 224 ALA A CB 1 ATOM 3098 H H . ALA A 1 212 ? -53.883 28.276 7.677 1.00 32.22 ? 224 ALA A H 1 ATOM 3099 H HA . ALA A 1 212 ? -53.987 26.588 8.914 1.00 31.91 ? 224 ALA A HA 1 ATOM 3100 H HB1 . ALA A 1 212 ? -53.066 24.583 8.138 1.00 32.16 ? 224 ALA A HB1 1 ATOM 3101 H HB2 . ALA A 1 212 ? -53.830 25.345 6.972 1.00 32.16 ? 224 ALA A HB2 1 ATOM 3102 H HB3 . ALA A 1 212 ? -52.243 25.392 7.046 1.00 32.16 ? 224 ALA A HB3 1 ATOM 3103 N N . ASN A 1 213 ? -51.436 27.770 9.791 1.00 25.33 ? 225 ASN A N 1 ATOM 3104 C CA . ASN A 1 213 ? -50.363 27.874 10.783 1.00 25.45 ? 225 ASN A CA 1 ATOM 3105 C C . ASN A 1 213 ? -49.173 26.975 10.469 1.00 23.92 ? 225 ASN A C 1 ATOM 3106 O O . ASN A 1 213 ? -48.435 26.569 11.361 1.00 25.52 ? 225 ASN A O 1 ATOM 3107 C CB . ASN A 1 213 ? -50.881 27.646 12.202 1.00 29.75 ? 225 ASN A CB 1 ATOM 3108 C CG . ASN A 1 213 ? -51.988 28.569 12.515 1.00 34.02 ? 225 ASN A CG 1 ATOM 3109 O OD1 . ASN A 1 213 ? -51.821 29.790 12.454 1.00 36.38 ? 225 ASN A OD1 1 ATOM 3110 N ND2 . ASN A 1 213 ? -53.156 28.015 12.760 1.00 37.21 ? 225 ASN A ND2 1 ATOM 3111 H H . ASN A 1 213 ? -51.631 28.519 9.416 1.00 30.40 ? 225 ASN A H 1 ATOM 3112 H HA . ASN A 1 213 ? -50.031 28.785 10.755 1.00 30.53 ? 225 ASN A HA 1 ATOM 3113 H HB2 . ASN A 1 213 ? -51.210 26.737 12.282 1.00 35.70 ? 225 ASN A HB2 1 ATOM 3114 H HB3 . ASN A 1 213 ? -50.164 27.803 12.836 1.00 35.70 ? 225 ASN A HB3 1 ATOM 3115 H HD21 . ASN A 1 213 ? -53.835 28.509 12.948 1.00 44.65 ? 225 ASN A HD21 1 ATOM 3116 H HD22 . ASN A 1 213 ? -53.241 27.160 12.733 1.00 44.65 ? 225 ASN A HD22 1 ATOM 3117 N N . GLN A 1 214 ? -48.949 26.698 9.197 1.00 23.39 ? 226 GLN A N 1 ATOM 3118 C CA . GLN A 1 214 ? -47.872 25.801 8.799 1.00 22.37 ? 226 GLN A CA 1 ATOM 3119 C C . GLN A 1 214 ? -46.495 26.411 9.012 1.00 23.36 ? 226 GLN A C 1 ATOM 3120 O O . GLN A 1 214 ? -45.556 25.682 9.304 1.00 22.52 ? 226 GLN A O 1 ATOM 3121 C CB . GLN A 1 214 ? -48.079 25.371 7.360 1.00 23.00 ? 226 GLN A CB 1 ATOM 3122 C CG . GLN A 1 214 ? -47.112 24.285 6.895 1.00 22.23 ? 226 GLN A CG 1 ATOM 3123 C CD . GLN A 1 214 ? -47.413 23.728 5.501 1.00 22.46 ? 226 GLN A CD 1 ATOM 3124 O OE1 . GLN A 1 214 ? -47.460 22.518 5.321 1.00 22.13 ? 226 GLN A OE1 1 ATOM 3125 N NE2 . GLN A 1 214 ? -47.596 24.601 4.517 1.00 23.43 ? 226 GLN A NE2 1 ATOM 3126 H H . GLN A 1 214 ? -49.406 27.016 8.541 1.00 28.07 ? 226 GLN A H 1 ATOM 3127 H HA . GLN A 1 214 ? -47.921 25.003 9.348 1.00 26.84 ? 226 GLN A HA 1 ATOM 3128 H HB2 . GLN A 1 214 ? -48.980 25.026 7.264 1.00 27.60 ? 226 GLN A HB2 1 ATOM 3129 H HB3 . GLN A 1 214 ? -47.958 26.142 6.784 1.00 27.60 ? 226 GLN A HB3 1 ATOM 3130 H HG2 . GLN A 1 214 ? -46.215 24.655 6.877 1.00 26.67 ? 226 GLN A HG2 1 ATOM 3131 H HG3 . GLN A 1 214 ? -47.149 23.547 7.522 1.00 26.67 ? 226 GLN A HG3 1 ATOM 3132 H HE21 . GLN A 1 214 ? -47.544 25.445 4.676 1.00 28.11 ? 226 GLN A HE21 1 ATOM 3133 H HE22 . GLN A 1 214 ? -47.767 24.323 3.722 1.00 28.11 ? 226 GLN A HE22 1 ATOM 3134 N N . PHE A 1 215 ? -46.339 27.729 8.878 1.00 23.74 ? 227 PHE A N 1 ATOM 3135 C CA . PHE A 1 215 ? -45.014 28.301 9.100 1.00 24.37 ? 227 PHE A CA 1 ATOM 3136 C C . PHE A 1 215 ? -44.638 28.198 10.572 1.00 23.43 ? 227 PHE A C 1 ATOM 3137 O O . PHE A 1 215 ? -43.525 27.799 10.898 1.00 23.93 ? 227 PHE A O 1 ATOM 3138 C CB . PHE A 1 215 ? -44.920 29.766 8.675 1.00 24.87 ? 227 PHE A CB 1 ATOM 3139 C CG . PHE A 1 215 ? -45.048 30.009 7.174 1.00 25.10 ? 227 PHE A CG 1 ATOM 3140 C CD1 . PHE A 1 215 ? -44.224 29.389 6.258 1.00 26.21 ? 227 PHE A CD1 1 ATOM 3141 C CD2 . PHE A 1 215 ? -45.997 30.886 6.697 1.00 25.76 ? 227 PHE A CD2 1 ATOM 3142 C CE1 . PHE A 1 215 ? -44.361 29.620 4.890 1.00 26.50 ? 227 PHE A CE1 1 ATOM 3143 C CE2 . PHE A 1 215 ? -46.139 31.136 5.316 1.00 25.86 ? 227 PHE A CE2 1 ATOM 3144 C CZ . PHE A 1 215 ? -45.306 30.499 4.424 1.00 25.43 ? 227 PHE A CZ 1 ATOM 3145 H H . PHE A 1 215 ? -46.955 28.291 8.668 1.00 28.49 ? 227 PHE A H 1 ATOM 3146 H HA . PHE A 1 215 ? -44.362 27.797 8.587 1.00 29.25 ? 227 PHE A HA 1 ATOM 3147 H HB2 . PHE A 1 215 ? -45.630 30.260 9.113 1.00 29.85 ? 227 PHE A HB2 1 ATOM 3148 H HB3 . PHE A 1 215 ? -44.060 30.114 8.955 1.00 29.85 ? 227 PHE A HB3 1 ATOM 3149 H HD1 . PHE A 1 215 ? -43.577 28.791 6.557 1.00 31.46 ? 227 PHE A HD1 1 ATOM 3150 H HD2 . PHE A 1 215 ? -46.560 31.319 7.298 1.00 30.92 ? 227 PHE A HD2 1 ATOM 3151 H HE1 . PHE A 1 215 ? -43.795 29.191 4.290 1.00 31.80 ? 227 PHE A HE1 1 ATOM 3152 H HE2 . PHE A 1 215 ? -46.787 31.729 5.012 1.00 31.03 ? 227 PHE A HE2 1 ATOM 3153 H HZ . PHE A 1 215 ? -45.392 30.654 3.511 1.00 30.52 ? 227 PHE A HZ 1 ATOM 3154 N N . GLU A 1 216 ? -45.555 28.594 11.471 1.00 23.54 ? 228 GLU A N 1 ATOM 3155 C CA . GLU A 1 216 ? -45.319 28.459 12.904 1.00 25.09 ? 228 GLU A CA 1 ATOM 3156 C C . GLU A 1 216 ? -45.001 27.014 13.261 1.00 25.07 ? 228 GLU A C 1 ATOM 3157 O O . GLU A 1 216 ? -44.049 26.742 14.004 1.00 24.52 ? 228 GLU A O 1 ATOM 3158 C CB . GLU A 1 216 ? -46.545 28.949 13.664 1.00 27.99 ? 228 GLU A CB 1 ATOM 3159 C CG . GLU A 1 216 ? -46.547 28.654 15.168 1.00 33.41 ? 228 GLU A CG 1 ATOM 3160 C CD . GLU A 1 216 ? -47.825 29.105 15.833 1.00 40.09 ? 228 GLU A CD 1 ATOM 3161 O OE1 . GLU A 1 216 ? -48.921 28.919 15.272 1.00 43.19 ? 228 GLU A OE1 1 ATOM 3162 O OE2 . GLU A 1 216 ? -47.738 29.623 16.943 1.00 43.58 ? 228 GLU A OE2 1 ATOM 3163 H H . GLU A 1 216 ? -46.316 28.941 11.270 1.00 28.25 ? 228 GLU A H 1 ATOM 3164 H HA . GLU A 1 216 ? -44.562 29.010 13.158 1.00 30.11 ? 228 GLU A HA 1 ATOM 3165 H HB2 . GLU A 1 216 ? -46.609 29.911 13.556 1.00 33.59 ? 228 GLU A HB2 1 ATOM 3166 H HB3 . GLU A 1 216 ? -47.331 28.527 13.283 1.00 33.59 ? 228 GLU A HB3 1 ATOM 3167 H HG2 . GLU A 1 216 ? -46.457 27.698 15.305 1.00 40.09 ? 228 GLU A HG2 1 ATOM 3168 H HG3 . GLU A 1 216 ? -45.808 29.122 15.585 1.00 40.09 ? 228 GLU A HG3 1 ATOM 3169 N N . TRP A 1 217 ? -45.773 26.081 12.702 1.00 25.20 ? 229 TRP A N 1 ATOM 3170 C CA . TRP A 1 217 ? -45.560 24.661 12.947 1.00 23.95 ? 229 TRP A CA 1 ATOM 3171 C C . TRP A 1 217 ? -44.206 24.203 12.422 1.00 22.41 ? 229 TRP A C 1 ATOM 3172 O O . TRP A 1 217 ? -43.486 23.458 13.099 1.00 23.27 ? 229 TRP A O 1 ATOM 3173 C CB . TRP A 1 217 ? -46.674 23.873 12.275 1.00 23.20 ? 229 TRP A CB 1 ATOM 3174 C CG . TRP A 1 217 ? -46.448 22.404 12.335 1.00 22.76 ? 229 TRP A CG 1 ATOM 3175 C CD1 . TRP A 1 217 ? -46.815 21.541 13.344 1.00 23.48 ? 229 TRP A CD1 1 ATOM 3176 C CD2 . TRP A 1 217 ? -45.820 21.612 11.339 1.00 23.57 ? 229 TRP A CD2 1 ATOM 3177 N NE1 . TRP A 1 217 ? -46.450 20.257 13.019 1.00 24.65 ? 229 TRP A NE1 1 ATOM 3178 C CE2 . TRP A 1 217 ? -45.821 20.277 11.800 1.00 24.37 ? 229 TRP A CE2 1 ATOM 3179 C CE3 . TRP A 1 217 ? -45.268 21.896 10.089 1.00 23.93 ? 229 TRP A CE3 1 ATOM 3180 C CZ2 . TRP A 1 217 ? -45.288 19.239 11.060 1.00 24.97 ? 229 TRP A CZ2 1 ATOM 3181 C CZ3 . TRP A 1 217 ? -44.734 20.853 9.348 1.00 24.09 ? 229 TRP A CZ3 1 ATOM 3182 C CH2 . TRP A 1 217 ? -44.756 19.546 9.833 1.00 24.51 ? 229 TRP A CH2 1 ATOM 3183 H H . TRP A 1 217 ? -46.431 26.250 12.173 1.00 30.24 ? 229 TRP A H 1 ATOM 3184 H HA . TRP A 1 217 ? -45.594 24.489 13.901 1.00 28.74 ? 229 TRP A HA 1 ATOM 3185 H HB2 . TRP A 1 217 ? -47.513 24.067 12.722 1.00 27.84 ? 229 TRP A HB2 1 ATOM 3186 H HB3 . TRP A 1 217 ? -46.727 24.132 11.342 1.00 27.84 ? 229 TRP A HB3 1 ATOM 3187 H HD1 . TRP A 1 217 ? -47.240 21.791 14.132 1.00 28.18 ? 229 TRP A HD1 1 ATOM 3188 H HE1 . TRP A 1 217 ? -46.564 19.562 13.514 1.00 29.57 ? 229 TRP A HE1 1 ATOM 3189 H HE3 . TRP A 1 217 ? -45.252 22.767 9.763 1.00 28.71 ? 229 TRP A HE3 1 ATOM 3190 H HZ2 . TRP A 1 217 ? -45.307 18.363 11.373 1.00 29.97 ? 229 TRP A HZ2 1 ATOM 3191 H HZ3 . TRP A 1 217 ? -44.349 21.029 8.520 1.00 28.91 ? 229 TRP A HZ3 1 ATOM 3192 H HH2 . TRP A 1 217 ? -44.382 18.867 9.320 1.00 29.41 ? 229 TRP A HH2 1 ATOM 3193 N N . LEU A 1 218 ? -43.832 24.649 11.230 1.00 23.14 ? 230 LEU A N 1 ATOM 3194 C CA . LEU A 1 218 ? -42.556 24.249 10.644 1.00 22.30 ? 230 LEU A CA 1 ATOM 3195 C C . LEU A 1 218 ? -41.375 24.757 11.479 1.00 23.51 ? 230 LEU A C 1 ATOM 3196 O O . LEU A 1 218 ? -40.408 24.016 11.736 1.00 23.13 ? 230 LEU A O 1 ATOM 3197 C CB . LEU A 1 218 ? -42.484 24.822 9.227 1.00 22.36 ? 230 LEU A CB 1 ATOM 3198 C CG . LEU A 1 218 ? -41.158 24.604 8.492 1.00 23.32 ? 230 LEU A CG 1 ATOM 3199 C CD1 . LEU A 1 218 ? -40.785 23.126 8.408 1.00 24.62 ? 230 LEU A CD1 1 ATOM 3200 C CD2 . LEU A 1 218 ? -41.206 25.241 7.126 1.00 23.63 ? 230 LEU A CD2 1 ATOM 3201 H H . LEU A 1 218 ? -44.295 25.183 10.739 1.00 27.77 ? 230 LEU A H 1 ATOM 3202 H HA . LEU A 1 218 ? -42.508 23.281 10.593 1.00 26.76 ? 230 LEU A HA 1 ATOM 3203 H HB2 . LEU A 1 218 ? -43.183 24.410 8.694 1.00 26.84 ? 230 LEU A HB2 1 ATOM 3204 H HB3 . LEU A 1 218 ? -42.636 25.779 9.275 1.00 26.84 ? 230 LEU A HB3 1 ATOM 3205 H HG . LEU A 1 218 ? -40.456 25.049 8.993 1.00 27.99 ? 230 LEU A HG 1 ATOM 3206 H HD11 . LEU A 1 218 ? -39.942 23.040 7.936 1.00 29.54 ? 230 LEU A HD11 1 ATOM 3207 H HD12 . LEU A 1 218 ? -40.700 22.771 9.306 1.00 29.54 ? 230 LEU A HD12 1 ATOM 3208 H HD13 . LEU A 1 218 ? -41.482 22.652 7.928 1.00 29.54 ? 230 LEU A HD13 1 ATOM 3209 H HD21 . LEU A 1 218 ? -40.358 25.091 6.679 1.00 28.35 ? 230 LEU A HD21 1 ATOM 3210 H HD22 . LEU A 1 218 ? -41.925 24.837 6.615 1.00 28.35 ? 230 LEU A HD22 1 ATOM 3211 H HD23 . LEU A 1 218 ? -41.364 26.192 7.227 1.00 28.35 ? 230 LEU A HD23 1 ATOM 3212 N N . GLU A 1 219 ? -41.444 26.020 11.922 1.00 23.64 ? 231 GLU A N 1 ATOM 3213 C CA . GLU A 1 219 ? -40.396 26.571 12.780 1.00 23.65 ? 231 GLU A CA 1 ATOM 3214 C C . GLU A 1 219 ? -40.270 25.762 14.066 1.00 24.71 ? 231 GLU A C 1 ATOM 3215 O O . GLU A 1 219 ? -39.150 25.454 14.528 1.00 25.40 ? 231 GLU A O 1 ATOM 3216 C CB . GLU A 1 219 ? -40.704 28.038 13.099 1.00 26.22 ? 231 GLU A CB 1 ATOM 3217 C CG . GLU A 1 219 ? -40.615 28.951 11.884 1.00 31.50 ? 231 GLU A CG 1 ATOM 3218 C CD . GLU A 1 219 ? -41.191 30.348 12.140 1.00 38.04 ? 231 GLU A CD 1 ATOM 3219 O OE1 . GLU A 1 219 ? -41.926 30.553 13.131 1.00 41.34 ? 231 GLU A OE1 1 ATOM 3220 O OE2 . GLU A 1 219 ? -40.916 31.253 11.356 1.00 41.58 ? 231 GLU A OE2 1 ATOM 3221 H H . GLU A 1 219 ? -42.080 26.569 11.740 1.00 28.37 ? 231 GLU A H 1 ATOM 3222 H HA . GLU A 1 219 ? -39.546 26.533 12.313 1.00 28.37 ? 231 GLU A HA 1 ATOM 3223 H HB2 . GLU A 1 219 ? -41.606 28.100 13.453 1.00 31.47 ? 231 GLU A HB2 1 ATOM 3224 H HB3 . GLU A 1 219 ? -40.069 28.357 13.759 1.00 31.47 ? 231 GLU A HB3 1 ATOM 3225 H HG2 . GLU A 1 219 ? -39.683 29.053 11.635 1.00 37.80 ? 231 GLU A HG2 1 ATOM 3226 H HG3 . GLU A 1 219 ? -41.111 28.552 11.153 1.00 37.80 ? 231 GLU A HG3 1 ATOM 3227 N N . ASN A 1 220 ? -41.409 25.432 14.679 1.00 25.04 ? 232 ASN A N 1 ATOM 3228 C CA A ASN A 1 220 ? -41.379 24.672 15.921 0.44 24.90 ? 232 ASN A CA 1 ATOM 3229 C CA B ASN A 1 220 ? -41.366 24.679 15.919 0.56 24.81 ? 232 ASN A CA 1 ATOM 3230 C C . ASN A 1 220 ? -40.808 23.283 15.691 1.00 23.81 ? 232 ASN A C 1 ATOM 3231 O O . ASN A 1 220 ? -40.016 22.788 16.510 1.00 24.11 ? 232 ASN A O 1 ATOM 3232 C CB A ASN A 1 220 ? -42.784 24.563 16.511 0.44 25.97 ? 232 ASN A CB 1 ATOM 3233 C CB B ASN A 1 220 ? -42.738 24.614 16.562 0.56 25.52 ? 232 ASN A CB 1 ATOM 3234 C CG A ASN A 1 220 ? -43.323 25.894 16.993 0.44 28.15 ? 232 ASN A CG 1 ATOM 3235 C CG B ASN A 1 220 ? -42.679 24.001 17.929 0.56 27.83 ? 232 ASN A CG 1 ATOM 3236 O OD1 A ASN A 1 220 ? -42.565 26.829 17.241 0.44 29.28 ? 232 ASN A OD1 1 ATOM 3237 O OD1 B ASN A 1 220 ? -41.966 24.497 18.813 0.56 28.89 ? 232 ASN A OD1 1 ATOM 3238 N ND2 A ASN A 1 220 ? -44.640 25.977 17.153 0.44 28.97 ? 232 ASN A ND2 1 ATOM 3239 N ND2 B ASN A 1 220 ? -43.371 22.888 18.104 0.56 29.70 ? 232 ASN A ND2 1 ATOM 3240 H H . ASN A 1 220 ? -42.199 25.629 14.403 1.00 30.04 ? 232 ASN A H 1 ATOM 3241 H HA . ASN A 1 220 ? -40.794 25.132 16.551 1.00 29.77 ? 232 ASN A HA 1 ATOM 3242 H HB2 A ASN A 1 220 ? -43.386 24.224 15.831 0.44 31.17 ? 232 ASN A HB2 1 ATOM 3243 H HB2 B ASN A 1 220 ? -43.094 25.513 16.648 0.56 30.63 ? 232 ASN A HB2 1 ATOM 3244 H HB3 A ASN A 1 220 ? -42.762 23.957 17.268 0.44 31.17 ? 232 ASN A HB3 1 ATOM 3245 H HB3 B ASN A 1 220 ? -43.324 24.072 16.011 0.56 30.63 ? 232 ASN A HB3 1 ATOM 3246 H HD21 A ASN A 1 220 ? -44.995 26.712 17.425 0.44 34.77 ? 232 ASN A HD21 1 ATOM 3247 H HD21 B ASN A 1 220 ? -43.369 22.497 18.870 0.56 35.64 ? 232 ASN A HD21 1 ATOM 3248 H HD22 A ASN A 1 220 ? -45.138 25.296 16.986 0.44 34.77 ? 232 ASN A HD22 1 ATOM 3249 H HD22 B ASN A 1 220 ? -43.822 22.555 17.452 0.56 35.64 ? 232 ASN A HD22 1 ATOM 3250 N N . THR A 1 221 ? -41.197 22.642 14.573 1.00 22.70 ? 233 THR A N 1 ATOM 3251 C CA . THR A 1 221 ? -40.702 21.301 14.250 1.00 24.60 ? 233 THR A CA 1 ATOM 3252 C C . THR A 1 221 ? -39.195 21.298 14.042 1.00 24.82 ? 233 THR A C 1 ATOM 3253 O O . THR A 1 221 ? -38.490 20.407 14.552 1.00 25.01 ? 233 THR A O 1 ATOM 3254 C CB . THR A 1 221 ? -41.427 20.791 13.009 1.00 25.15 ? 233 THR A CB 1 ATOM 3255 O OG1 . THR A 1 221 ? -42.830 20.720 13.293 1.00 25.16 ? 233 THR A OG1 1 ATOM 3256 C CG2 . THR A 1 221 ? -40.912 19.404 12.567 1.00 25.22 ? 233 THR A CG2 1 ATOM 3257 H H . THR A 1 221 ? -41.743 22.964 13.993 1.00 27.24 ? 233 THR A H 1 ATOM 3258 H HA . THR A 1 221 ? -40.906 20.702 14.985 1.00 29.52 ? 233 THR A HA 1 ATOM 3259 H HB . THR A 1 221 ? -41.282 21.412 12.278 1.00 30.17 ? 233 THR A HB 1 ATOM 3260 H HG1 . THR A 1 221 ? -43.120 21.481 13.497 1.00 30.19 ? 233 THR A HG1 1 ATOM 3261 H HG21 . THR A 1 221 ? -41.391 19.108 11.777 1.00 30.26 ? 233 THR A HG21 1 ATOM 3262 H HG22 . THR A 1 221 ? -39.965 19.452 12.361 1.00 30.26 ? 233 THR A HG22 1 ATOM 3263 H HG23 . THR A 1 221 ? -41.047 18.758 13.278 1.00 30.26 ? 233 THR A HG23 1 ATOM 3264 N N . LEU A 1 222 ? -38.680 22.300 13.324 1.00 23.62 ? 234 LEU A N 1 ATOM 3265 C CA . LEU A 1 222 ? -37.239 22.375 13.074 1.00 23.84 ? 234 LEU A CA 1 ATOM 3266 C C . LEU A 1 222 ? -36.483 22.660 14.354 1.00 24.08 ? 234 LEU A C 1 ATOM 3267 O O . LEU A 1 222 ? -35.419 22.082 14.594 1.00 23.91 ? 234 LEU A O 1 ATOM 3268 C CB . LEU A 1 222 ? -36.934 23.457 12.032 1.00 23.01 ? 234 LEU A CB 1 ATOM 3269 C CG . LEU A 1 222 ? -37.421 23.054 10.635 1.00 24.91 ? 234 LEU A CG 1 ATOM 3270 C CD1 . LEU A 1 222 ? -37.432 24.257 9.676 1.00 24.62 ? 234 LEU A CD1 1 ATOM 3271 C CD2 . LEU A 1 222 ? -36.569 21.945 10.075 1.00 26.66 ? 234 LEU A CD2 1 ATOM 3272 H H . LEU A 1 222 ? -39.137 22.939 12.975 1.00 28.34 ? 234 LEU A H 1 ATOM 3273 H HA . LEU A 1 222 ? -36.932 21.524 12.724 1.00 28.60 ? 234 LEU A HA 1 ATOM 3274 H HB2 . LEU A 1 222 ? -37.382 24.279 12.284 1.00 27.61 ? 234 LEU A HB2 1 ATOM 3275 H HB3 . LEU A 1 222 ? -35.975 23.597 11.989 1.00 27.61 ? 234 LEU A HB3 1 ATOM 3276 H HG . LEU A 1 222 ? -38.330 22.723 10.705 1.00 29.89 ? 234 LEU A HG 1 ATOM 3277 H HD11 . LEU A 1 222 ? -37.745 23.964 8.806 1.00 29.54 ? 234 LEU A HD11 1 ATOM 3278 H HD12 . LEU A 1 222 ? -38.027 24.937 10.030 1.00 29.54 ? 234 LEU A HD12 1 ATOM 3279 H HD13 . LEU A 1 222 ? -36.532 24.610 9.603 1.00 29.54 ? 234 LEU A HD13 1 ATOM 3280 H HD21 . LEU A 1 222 ? -36.898 21.709 9.193 1.00 32.00 ? 234 LEU A HD21 1 ATOM 3281 H HD22 . LEU A 1 222 ? -35.651 22.252 10.015 1.00 32.00 ? 234 LEU A HD22 1 ATOM 3282 H HD23 . LEU A 1 222 ? -36.624 21.177 10.665 1.00 32.00 ? 234 LEU A HD23 1 ATOM 3283 N N . ASN A 1 223 ? -37.033 23.522 15.208 1.00 24.69 ? 235 ASN A N 1 ATOM 3284 C CA . ASN A 1 223 ? -36.411 23.759 16.505 1.00 26.30 ? 235 ASN A CA 1 ATOM 3285 C C . ASN A 1 223 ? -36.304 22.471 17.311 1.00 26.06 ? 235 ASN A C 1 ATOM 3286 O O . ASN A 1 223 ? -35.259 22.194 17.902 1.00 26.39 ? 235 ASN A O 1 ATOM 3287 C CB . ASN A 1 223 ? -37.160 24.837 17.284 1.00 29.52 ? 235 ASN A CB 1 ATOM 3288 C CG . ASN A 1 223 ? -36.537 25.099 18.632 1.00 34.81 ? 235 ASN A CG 1 ATOM 3289 O OD1 . ASN A 1 223 ? -35.415 25.584 18.744 1.00 36.17 ? 235 ASN A OD1 1 ATOM 3290 N ND2 . ASN A 1 223 ? -37.275 24.761 19.669 1.00 38.48 ? 235 ASN A ND2 1 ATOM 3291 H H . ASN A 1 223 ? -37.750 23.974 15.063 1.00 29.63 ? 235 ASN A H 1 ATOM 3292 H HA . ASN A 1 223 ? -35.509 24.083 16.356 1.00 31.56 ? 235 ASN A HA 1 ATOM 3293 H HB2 . ASN A 1 223 ? -37.144 25.664 16.778 1.00 35.42 ? 235 ASN A HB2 1 ATOM 3294 H HB3 . ASN A 1 223 ? -38.075 24.549 17.424 1.00 35.42 ? 235 ASN A HB3 1 ATOM 3295 H HD21 . ASN A 1 223 ? -38.058 24.429 19.542 1.00 46.17 ? 235 ASN A HD21 1 ATOM 3296 N N . SER A 1 224 ? -37.374 21.674 17.357 1.00 24.76 ? 236 SER A N 1 ATOM 3297 C CA . SER A 1 224 ? -37.329 20.424 18.116 1.00 26.10 ? 236 SER A CA 1 ATOM 3298 C C . SER A 1 224 ? -36.329 19.435 17.501 1.00 25.69 ? 236 SER A C 1 ATOM 3299 O O . SER A 1 224 ? -35.598 18.751 18.220 1.00 26.42 ? 236 SER A O 1 ATOM 3300 C CB . SER A 1 224 ? -38.729 19.827 18.193 1.00 27.05 ? 236 SER A CB 1 ATOM 3301 O OG . SER A 1 224 ? -39.521 20.608 19.066 1.00 30.67 ? 236 SER A OG 1 ATOM 3302 H H . SER A 1 224 ? -38.123 21.831 16.965 1.00 29.71 ? 236 SER A H 1 ATOM 3303 H HA . SER A 1 224 ? -37.037 20.617 19.021 1.00 31.31 ? 236 SER A HA 1 ATOM 3304 H HB2 . SER A 1 224 ? -39.128 19.829 17.309 1.00 32.45 ? 236 SER A HB2 1 ATOM 3305 H HB3 . SER A 1 224 ? -38.673 18.921 18.535 1.00 32.45 ? 236 SER A HB3 1 ATOM 3306 H HG . SER A 1 224 ? -39.570 21.396 18.780 1.00 36.80 ? 236 SER A HG 1 ATOM 3307 N N . SER A 1 225 ? -36.269 19.362 16.172 1.00 24.91 ? 237 SER A N 1 ATOM 3308 C CA . SER A 1 225 ? -35.279 18.503 15.506 1.00 25.58 ? 237 SER A CA 1 ATOM 3309 C C . SER A 1 225 ? -33.854 18.920 15.851 1.00 27.10 ? 237 SER A C 1 ATOM 3310 O O . SER A 1 225 ? -32.992 18.068 16.133 1.00 28.54 ? 237 SER A O 1 ATOM 3311 C CB . SER A 1 225 ? -35.509 18.519 13.990 1.00 26.84 ? 237 SER A CB 1 ATOM 3312 O OG . SER A 1 225 ? -36.707 17.839 13.689 1.00 27.35 ? 237 SER A OG 1 ATOM 3313 H H . SER A 1 225 ? -36.783 19.794 15.634 1.00 29.89 ? 237 SER A H 1 ATOM 3314 H HA . SER A 1 225 ? -35.402 17.591 15.813 1.00 30.70 ? 237 SER A HA 1 ATOM 3315 H HB2 . SER A 1 225 ? -35.578 19.438 13.686 1.00 32.20 ? 237 SER A HB2 1 ATOM 3316 H HB3 . SER A 1 225 ? -34.769 18.074 13.549 1.00 32.20 ? 237 SER A HB3 1 ATOM 3317 H HG . SER A 1 225 ? -36.660 17.043 13.952 1.00 32.82 ? 237 SER A HG 1 ATOM 3318 N N . LEU A 1 226 ? -33.582 20.227 15.849 1.00 26.62 ? 238 LEU A N 1 ATOM 3319 C CA . LEU A 1 226 ? -32.279 20.706 16.305 1.00 27.31 ? 238 LEU A CA 1 ATOM 3320 C C . LEU A 1 226 ? -31.952 20.170 17.688 1.00 27.03 ? 238 LEU A C 1 ATOM 3321 O O . LEU A 1 226 ? -30.884 19.591 17.912 1.00 28.07 ? 238 LEU A O 1 ATOM 3322 C CB . LEU A 1 226 ? -32.271 22.230 16.341 1.00 29.18 ? 238 LEU A CB 1 ATOM 3323 C CG . LEU A 1 226 ? -31.035 22.882 16.969 1.00 31.03 ? 238 LEU A CG 1 ATOM 3324 C CD1 . LEU A 1 226 ? -29.849 22.759 16.031 1.00 32.70 ? 238 LEU A CD1 1 ATOM 3325 C CD2 . LEU A 1 226 ? -31.368 24.318 17.277 1.00 31.28 ? 238 LEU A CD2 1 ATOM 3326 H H . LEU A 1 226 ? -34.124 20.844 15.593 1.00 31.95 ? 238 LEU A H 1 ATOM 3327 H HA . LEU A 1 226 ? -31.591 20.409 15.689 1.00 32.77 ? 238 LEU A HA 1 ATOM 3328 H HB2 . LEU A 1 226 ? -32.339 22.556 15.430 1.00 35.02 ? 238 LEU A HB2 1 ATOM 3329 H HB3 . LEU A 1 226 ? -33.044 22.526 16.847 1.00 35.02 ? 238 LEU A HB3 1 ATOM 3330 H HG . LEU A 1 226 ? -30.818 22.432 17.800 1.00 37.23 ? 238 LEU A HG 1 ATOM 3331 H HD11 . LEU A 1 226 ? -29.076 23.176 16.442 1.00 39.24 ? 238 LEU A HD11 1 ATOM 3332 H HD12 . LEU A 1 226 ? -29.672 21.819 15.869 1.00 39.24 ? 238 LEU A HD12 1 ATOM 3333 H HD13 . LEU A 1 226 ? -30.061 23.204 15.195 1.00 39.24 ? 238 LEU A HD13 1 ATOM 3334 H HD21 . LEU A 1 226 ? -30.592 24.743 17.676 1.00 37.53 ? 238 LEU A HD21 1 ATOM 3335 H HD22 . LEU A 1 226 ? -31.606 24.770 16.453 1.00 37.53 ? 238 LEU A HD22 1 ATOM 3336 H HD23 . LEU A 1 226 ? -32.114 24.343 17.896 1.00 37.53 ? 238 LEU A HD23 1 ATOM 3337 N N . TRP A 1 227 ? -32.844 20.399 18.647 1.00 26.97 ? 239 TRP A N 1 ATOM 3338 C CA . TRP A 1 227 ? -32.523 20.023 20.015 1.00 29.01 ? 239 TRP A CA 1 ATOM 3339 C C . TRP A 1 227 ? -32.522 18.517 20.220 1.00 30.31 ? 239 TRP A C 1 ATOM 3340 O O . TRP A 1 227 ? -31.817 18.030 21.113 1.00 32.50 ? 239 TRP A O 1 ATOM 3341 C CB . TRP A 1 227 ? -33.447 20.753 20.972 1.00 29.51 ? 239 TRP A CB 1 ATOM 3342 C CG . TRP A 1 227 ? -33.057 22.212 21.038 1.00 29.85 ? 239 TRP A CG 1 ATOM 3343 C CD1 . TRP A 1 227 ? -33.704 23.264 20.469 1.00 29.62 ? 239 TRP A CD1 1 ATOM 3344 C CD2 . TRP A 1 227 ? -31.908 22.756 21.691 1.00 32.02 ? 239 TRP A CD2 1 ATOM 3345 N NE1 . TRP A 1 227 ? -33.036 24.427 20.729 1.00 30.29 ? 239 TRP A NE1 1 ATOM 3346 C CE2 . TRP A 1 227 ? -31.926 24.147 21.475 1.00 31.85 ? 239 TRP A CE2 1 ATOM 3347 C CE3 . TRP A 1 227 ? -30.859 22.201 22.420 1.00 34.18 ? 239 TRP A CE3 1 ATOM 3348 C CZ2 . TRP A 1 227 ? -30.941 24.997 21.979 1.00 34.03 ? 239 TRP A CZ2 1 ATOM 3349 C CZ3 . TRP A 1 227 ? -29.891 23.037 22.920 1.00 35.94 ? 239 TRP A CZ3 1 ATOM 3350 C CH2 . TRP A 1 227 ? -29.932 24.420 22.696 1.00 35.68 ? 239 TRP A CH2 1 ATOM 3351 H H . TRP A 1 227 ? -33.617 20.759 18.537 1.00 32.36 ? 239 TRP A H 1 ATOM 3352 H HA . TRP A 1 227 ? -31.623 20.331 20.204 1.00 34.81 ? 239 TRP A HA 1 ATOM 3353 H HB2 . TRP A 1 227 ? -34.361 20.690 20.654 1.00 35.42 ? 239 TRP A HB2 1 ATOM 3354 H HB3 . TRP A 1 227 ? -33.367 20.369 21.859 1.00 35.42 ? 239 TRP A HB3 1 ATOM 3355 H HD1 . TRP A 1 227 ? -34.490 23.201 19.977 1.00 35.55 ? 239 TRP A HD1 1 ATOM 3356 H HE1 . TRP A 1 227 ? -33.277 25.210 20.468 1.00 36.35 ? 239 TRP A HE1 1 ATOM 3357 H HE3 . TRP A 1 227 ? -30.820 21.285 22.573 1.00 41.01 ? 239 TRP A HE3 1 ATOM 3358 H HZ2 . TRP A 1 227 ? -30.970 25.915 21.833 1.00 40.84 ? 239 TRP A HZ2 1 ATOM 3359 H HZ3 . TRP A 1 227 ? -29.190 22.677 23.414 1.00 43.13 ? 239 TRP A HZ3 1 ATOM 3360 H HH2 . TRP A 1 227 ? -29.262 24.958 23.051 1.00 42.81 ? 239 TRP A HH2 1 ATOM 3361 N N . ASN A 1 228 ? -33.246 17.771 19.391 1.00 31.15 ? 240 ASN A N 1 ATOM 3362 C CA . ASN A 1 228 ? -33.233 16.314 19.449 1.00 32.83 ? 240 ASN A CA 1 ATOM 3363 C C . ASN A 1 228 ? -32.151 15.696 18.582 1.00 32.86 ? 240 ASN A C 1 ATOM 3364 O O . ASN A 1 228 ? -32.116 14.469 18.439 1.00 34.82 ? 240 ASN A O 1 ATOM 3365 C CB . ASN A 1 228 ? -34.603 15.767 19.059 1.00 34.42 ? 240 ASN A CB 1 ATOM 3366 C CG . ASN A 1 228 ? -35.578 15.844 20.208 1.00 37.64 ? 240 ASN A CG 1 ATOM 3367 O OD1 . ASN A 1 228 ? -35.185 15.674 21.360 1.00 40.48 ? 240 ASN A OD1 1 ATOM 3368 N ND2 . ASN A 1 228 ? -36.836 16.109 19.918 1.00 38.65 ? 240 ASN A ND2 1 ATOM 3369 H H . ASN A 1 228 ? -33.759 18.089 18.778 1.00 37.38 ? 240 ASN A H 1 ATOM 3370 H HA . ASN A 1 228 ? -33.061 16.045 20.365 1.00 39.39 ? 240 ASN A HA 1 ATOM 3371 H HB2 . ASN A 1 228 ? -34.959 16.290 18.323 1.00 41.31 ? 240 ASN A HB2 1 ATOM 3372 H HB3 . ASN A 1 228 ? -34.514 14.837 18.798 1.00 41.31 ? 240 ASN A HB3 1 ATOM 3373 H HD21 . ASN A 1 228 ? -37.420 16.161 20.547 1.00 46.38 ? 240 ASN A HD21 1 ATOM 3374 H HD22 . ASN A 1 228 ? -37.072 16.231 19.101 1.00 46.38 ? 240 ASN A HD22 1 ATOM 3375 N N . LYS A 1 229 ? -31.261 16.511 18.031 1.00 31.55 ? 241 LYS A N 1 ATOM 3376 C CA . LYS A 1 229 ? -30.147 16.041 17.211 1.00 33.54 ? 241 LYS A CA 1 ATOM 3377 C C . LYS A 1 229 ? -30.617 15.206 16.024 1.00 32.14 ? 241 LYS A C 1 ATOM 3378 O O . LYS A 1 229 ? -29.971 14.223 15.638 1.00 34.66 ? 241 LYS A O 1 ATOM 3379 C CB . LYS A 1 229 ? -29.109 15.293 18.050 1.00 37.62 ? 241 LYS A CB 1 ATOM 3380 C CG . LYS A 1 229 ? -28.546 16.150 19.163 1.00 41.54 ? 241 LYS A CG 1 ATOM 3381 C CD . LYS A 1 229 ? -27.391 15.458 19.879 1.00 45.92 ? 241 LYS A CD 1 ATOM 3382 C CE . LYS A 1 229 ? -26.905 16.267 21.065 1.00 49.30 ? 241 LYS A CE 1 ATOM 3383 N NZ . LYS A 1 229 ? -27.777 16.055 22.270 1.00 51.56 ? 241 LYS A NZ 1 ATOM 3384 H H . LYS A 1 229 ? -31.280 17.366 18.120 1.00 37.86 ? 241 LYS A H 1 ATOM 3385 H HA . LYS A 1 229 ? -29.701 16.821 16.845 1.00 40.25 ? 241 LYS A HA 1 ATOM 3386 H HB2 . LYS A 1 229 ? -29.527 14.514 18.450 1.00 45.14 ? 241 LYS A HB2 1 ATOM 3387 H HB3 . LYS A 1 229 ? -28.375 15.020 17.478 1.00 45.14 ? 241 LYS A HB3 1 ATOM 3388 H HG2 . LYS A 1 229 ? -28.216 16.982 18.790 1.00 49.85 ? 241 LYS A HG2 1 ATOM 3389 H HG3 . LYS A 1 229 ? -29.243 16.327 19.814 1.00 49.85 ? 241 LYS A HG3 1 ATOM 3390 H HD2 . LYS A 1 229 ? -27.688 14.593 20.203 1.00 55.10 ? 241 LYS A HD2 1 ATOM 3391 H HD3 . LYS A 1 229 ? -26.651 15.350 19.262 1.00 55.10 ? 241 LYS A HD3 1 ATOM 3392 H HE2 . LYS A 1 229 ? -26.002 15.994 21.291 1.00 59.16 ? 241 LYS A HE2 1 ATOM 3393 H HE3 . LYS A 1 229 ? -26.924 17.210 20.838 1.00 59.16 ? 241 LYS A HE3 1 ATOM 3394 H HZ1 . LYS A 1 229 ? -27.474 16.538 22.953 1.00 61.87 ? 241 LYS A HZ1 1 ATOM 3395 H HZ2 . LYS A 1 229 ? -28.612 16.302 22.088 1.00 61.87 ? 241 LYS A HZ2 1 ATOM 3396 H HZ3 . LYS A 1 229 ? -27.774 15.195 22.500 1.00 61.87 ? 241 LYS A HZ3 1 ATOM 3397 N N . GLU A 1 230 ? -31.749 15.589 15.441 1.00 29.40 ? 242 GLU A N 1 ATOM 3398 C CA . GLU A 1 230 ? -32.248 14.930 14.241 1.00 28.74 ? 242 GLU A CA 1 ATOM 3399 C C . GLU A 1 230 ? -31.800 15.674 12.989 1.00 29.17 ? 242 GLU A C 1 ATOM 3400 O O . GLU A 1 230 ? -31.553 16.886 13.015 1.00 31.14 ? 242 GLU A O 1 ATOM 3401 C CB . GLU A 1 230 ? -33.771 14.867 14.233 1.00 29.62 ? 242 GLU A CB 1 ATOM 3402 C CG . GLU A 1 230 ? -34.381 14.004 15.278 1.00 31.03 ? 242 GLU A CG 1 ATOM 3403 C CD . GLU A 1 230 ? -35.877 14.201 15.352 1.00 32.93 ? 242 GLU A CD 1 ATOM 3404 O OE1 . GLU A 1 230 ? -36.374 15.258 14.902 1.00 32.76 ? 242 GLU A OE1 1 ATOM 3405 O OE2 . GLU A 1 230 ? -36.566 13.279 15.834 1.00 35.13 ? 242 GLU A OE2 1 ATOM 3406 H H . GLU A 1 230 ? -32.248 16.229 15.724 1.00 35.28 ? 242 GLU A H 1 ATOM 3407 H HA . GLU A 1 230 ? -31.902 14.025 14.201 1.00 34.49 ? 242 GLU A HA 1 ATOM 3408 H HB2 . GLU A 1 230 ? -34.116 15.765 14.359 1.00 35.54 ? 242 GLU A HB2 1 ATOM 3409 H HB3 . GLU A 1 230 ? -34.060 14.528 13.371 1.00 35.54 ? 242 GLU A HB3 1 ATOM 3410 H HG2 . GLU A 1 230 ? -34.206 13.074 15.067 1.00 37.23 ? 242 GLU A HG2 1 ATOM 3411 H HG3 . GLU A 1 230 ? -34.001 14.230 16.141 1.00 37.23 ? 242 GLU A HG3 1 ATOM 3412 N N . LYS A 1 231 ? -31.693 14.930 11.881 1.00 27.65 ? 243 LYS A N 1 ATOM 3413 C CA . LYS A 1 231 ? -31.610 15.531 10.562 1.00 27.93 ? 243 LYS A CA 1 ATOM 3414 C C . LYS A 1 231 ? -32.978 15.434 9.903 1.00 26.63 ? 243 LYS A C 1 ATOM 3415 O O . LYS A 1 231 ? -33.764 14.529 10.215 1.00 27.06 ? 243 LYS A O 1 ATOM 3416 C CB . LYS A 1 231 ? -30.558 14.846 9.694 1.00 28.84 ? 243 LYS A CB 1 ATOM 3417 C CG . LYS A 1 231 ? -29.160 14.989 10.252 1.00 32.49 ? 243 LYS A CG 1 ATOM 3418 C CD . LYS A 1 231 ? -28.685 16.416 10.140 1.00 36.12 ? 243 LYS A CD 1 ATOM 3419 C CE . LYS A 1 231 ? -27.283 16.535 10.619 1.00 39.95 ? 243 LYS A CE 1 ATOM 3420 N NZ . LYS A 1 231 ? -26.659 17.699 10.005 1.00 41.63 ? 243 LYS A NZ 1 ATOM 3421 H H . LYS A 1 231 ? -31.666 14.071 11.875 1.00 33.18 ? 243 LYS A H 1 ATOM 3422 H HA . LYS A 1 231 ? -31.376 16.468 10.647 1.00 33.52 ? 243 LYS A HA 1 ATOM 3423 H HB2 . LYS A 1 231 ? -30.763 13.899 9.636 1.00 34.61 ? 243 LYS A HB2 1 ATOM 3424 H HB3 . LYS A 1 231 ? -30.571 15.243 8.809 1.00 34.61 ? 243 LYS A HB3 1 ATOM 3425 H HG2 . LYS A 1 231 ? -29.160 14.738 11.188 1.00 38.99 ? 243 LYS A HG2 1 ATOM 3426 H HG3 . LYS A 1 231 ? -28.553 14.424 9.749 1.00 38.99 ? 243 LYS A HG3 1 ATOM 3427 H HD2 . LYS A 1 231 ? -28.718 16.697 9.212 1.00 43.34 ? 243 LYS A HD2 1 ATOM 3428 H HD3 . LYS A 1 231 ? -29.246 16.988 10.688 1.00 43.34 ? 243 LYS A HD3 1 ATOM 3429 H HE2 . LYS A 1 231 ? -27.275 16.649 11.582 1.00 47.94 ? 243 LYS A HE2 1 ATOM 3430 H HE3 . LYS A 1 231 ? -26.783 15.744 10.364 1.00 47.94 ? 243 LYS A HE3 1 ATOM 3431 H HZ1 . LYS A 1 231 ? -25.818 17.777 10.287 1.00 49.96 ? 243 LYS A HZ1 1 ATOM 3432 H HZ2 . LYS A 1 231 ? -26.660 17.613 9.120 1.00 49.96 ? 243 LYS A HZ2 1 ATOM 3433 H HZ3 . LYS A 1 231 ? -27.107 18.436 10.226 1.00 49.96 ? 243 LYS A HZ3 1 ATOM 3434 N N . VAL A 1 232 ? -33.265 16.379 9.005 1.00 26.45 ? 244 VAL A N 1 ATOM 3435 C CA . VAL A 1 232 ? -34.574 16.514 8.366 1.00 25.86 ? 244 VAL A CA 1 ATOM 3436 C C . VAL A 1 232 ? -34.448 16.448 6.843 1.00 25.12 ? 244 VAL A C 1 ATOM 3437 O O . VAL A 1 232 ? -33.582 17.098 6.252 1.00 24.36 ? 244 VAL A O 1 ATOM 3438 C CB . VAL A 1 232 ? -35.241 17.833 8.794 1.00 26.45 ? 244 VAL A CB 1 ATOM 3439 C CG1 . VAL A 1 232 ? -36.396 18.204 7.905 1.00 29.43 ? 244 VAL A CG1 1 ATOM 3440 C CG2 . VAL A 1 232 ? -35.679 17.745 10.288 1.00 27.62 ? 244 VAL A CG2 1 ATOM 3441 H H . VAL A 1 232 ? -32.698 16.971 8.743 1.00 31.73 ? 244 VAL A H 1 ATOM 3442 H HA . VAL A 1 232 ? -35.143 15.783 8.652 1.00 31.04 ? 244 VAL A HA 1 ATOM 3443 H HB . VAL A 1 232 ? -34.584 18.544 8.726 1.00 31.74 ? 244 VAL A HB 1 ATOM 3444 H HG11 . VAL A 1 232 ? -36.779 19.039 8.217 1.00 35.32 ? 244 VAL A HG11 1 ATOM 3445 H HG12 . VAL A 1 232 ? -36.074 18.306 6.996 1.00 35.32 ? 244 VAL A HG12 1 ATOM 3446 H HG13 . VAL A 1 232 ? -37.062 17.499 7.943 1.00 35.32 ? 244 VAL A HG13 1 ATOM 3447 H HG21 . VAL A 1 232 ? -36.097 18.582 10.544 1.00 33.15 ? 244 VAL A HG21 1 ATOM 3448 H HG22 . VAL A 1 232 ? -36.310 17.015 10.389 1.00 33.15 ? 244 VAL A HG22 1 ATOM 3449 H HG23 . VAL A 1 232 ? -34.896 17.584 10.837 1.00 33.15 ? 244 VAL A HG23 1 ATOM 3450 N N . TYR A 1 233 ? -35.327 15.678 6.204 1.00 23.91 ? 245 TYR A N 1 ATOM 3451 C CA . TYR A 1 233 ? -35.601 15.825 4.783 1.00 22.70 ? 245 TYR A CA 1 ATOM 3452 C C . TYR A 1 233 ? -36.961 16.494 4.627 1.00 22.40 ? 245 TYR A C 1 ATOM 3453 O O . TYR A 1 233 ? -37.952 16.019 5.188 1.00 24.21 ? 245 TYR A O 1 ATOM 3454 C CB . TYR A 1 233 ? -35.618 14.455 4.091 1.00 23.40 ? 245 TYR A CB 1 ATOM 3455 C CG . TYR A 1 233 ? -34.307 13.733 3.960 1.00 24.95 ? 245 TYR A CG 1 ATOM 3456 C CD1 . TYR A 1 233 ? -33.080 14.393 4.040 1.00 25.81 ? 245 TYR A CD1 1 ATOM 3457 C CD2 . TYR A 1 233 ? -34.291 12.364 3.750 1.00 26.09 ? 245 TYR A CD2 1 ATOM 3458 C CE1 . TYR A 1 233 ? -31.869 13.682 3.900 1.00 26.05 ? 245 TYR A CE1 1 ATOM 3459 C CE2 . TYR A 1 233 ? -33.092 11.661 3.619 1.00 26.17 ? 245 TYR A CE2 1 ATOM 3460 C CZ . TYR A 1 233 ? -31.898 12.329 3.705 1.00 25.29 ? 245 TYR A CZ 1 ATOM 3461 O OH . TYR A 1 233 ? -30.745 11.594 3.587 1.00 26.74 ? 245 TYR A OH 1 ATOM 3462 H H . TYR A 1 233 ? -35.782 15.053 6.580 1.00 28.69 ? 245 TYR A H 1 ATOM 3463 H HA . TYR A 1 233 ? -34.923 16.382 4.369 1.00 27.24 ? 245 TYR A HA 1 ATOM 3464 H HB2 . TYR A 1 233 ? -36.214 13.874 4.589 1.00 28.08 ? 245 TYR A HB2 1 ATOM 3465 H HB3 . TYR A 1 233 ? -35.967 14.575 3.194 1.00 28.08 ? 245 TYR A HB3 1 ATOM 3466 H HD1 . TYR A 1 233 ? -33.061 15.313 4.176 1.00 30.98 ? 245 TYR A HD1 1 ATOM 3467 H HD2 . TYR A 1 233 ? -35.097 11.903 3.694 1.00 31.30 ? 245 TYR A HD2 1 ATOM 3468 H HE1 . TYR A 1 233 ? -31.055 14.128 3.963 1.00 31.25 ? 245 TYR A HE1 1 ATOM 3469 H HE2 . TYR A 1 233 ? -33.103 10.741 3.486 1.00 31.40 ? 245 TYR A HE2 1 ATOM 3470 H HH . TYR A 1 233 ? -30.076 12.097 3.653 1.00 32.09 ? 245 TYR A HH 1 ATOM 3471 N N . ILE A 1 234 ? -37.006 17.593 3.876 1.00 21.49 ? 246 ILE A N 1 ATOM 3472 C CA . ILE A 1 234 ? -38.254 18.288 3.535 1.00 20.95 ? 246 ILE A CA 1 ATOM 3473 C C . ILE A 1 234 ? -38.787 17.693 2.234 1.00 21.72 ? 246 ILE A C 1 ATOM 3474 O O . ILE A 1 234 ? -38.041 17.596 1.248 1.00 23.30 ? 246 ILE A O 1 ATOM 3475 C CB . ILE A 1 234 ? -38.003 19.788 3.295 1.00 24.17 ? 246 ILE A CB 1 ATOM 3476 C CG1 . ILE A 1 234 ? -37.327 20.485 4.463 1.00 25.35 ? 246 ILE A CG1 1 ATOM 3477 C CG2 . ILE A 1 234 ? -39.290 20.467 2.837 1.00 24.56 ? 246 ILE A CG2 1 ATOM 3478 C CD1 . ILE A 1 234 ? -38.223 20.756 5.602 1.00 26.65 ? 246 ILE A CD1 1 ATOM 3479 H H . ILE A 1 234 ? -36.308 17.968 3.542 1.00 25.79 ? 246 ILE A H 1 ATOM 3480 H HA . ILE A 1 234 ? -38.912 18.176 4.239 1.00 25.14 ? 246 ILE A HA 1 ATOM 3481 H HB . ILE A 1 234 ? -37.384 19.846 2.550 1.00 29.00 ? 246 ILE A HB 1 ATOM 3482 H HG12 . ILE A 1 234 ? -36.603 19.925 4.783 1.00 30.42 ? 246 ILE A HG12 1 ATOM 3483 H HG13 . ILE A 1 234 ? -36.974 21.335 4.157 1.00 30.42 ? 246 ILE A HG13 1 ATOM 3484 H HG21 . ILE A 1 234 ? -39.115 21.410 2.691 1.00 29.47 ? 246 ILE A HG21 1 ATOM 3485 H HG22 . ILE A 1 234 ? -39.589 20.054 2.012 1.00 29.47 ? 246 ILE A HG22 1 ATOM 3486 H HG23 . ILE A 1 234 ? -39.966 20.359 3.525 1.00 29.47 ? 246 ILE A HG23 1 ATOM 3487 H HD11 . ILE A 1 234 ? -37.718 21.200 6.302 1.00 31.97 ? 246 ILE A HD11 1 ATOM 3488 H HD12 . ILE A 1 234 ? -38.948 21.327 5.304 1.00 31.97 ? 246 ILE A HD12 1 ATOM 3489 H HD13 . ILE A 1 234 ? -38.577 19.915 5.932 1.00 31.97 ? 246 ILE A HD13 1 ATOM 3490 N N . ILE A 1 235 ? -40.072 17.343 2.214 1.00 21.48 ? 247 ILE A N 1 ATOM 3491 C CA . ILE A 1 235 ? -40.756 16.907 0.995 1.00 21.13 ? 247 ILE A CA 1 ATOM 3492 C C . ILE A 1 235 ? -42.007 17.756 0.847 1.00 20.96 ? 247 ILE A C 1 ATOM 3493 O O . ILE A 1 235 ? -42.627 18.152 1.850 1.00 21.43 ? 247 ILE A O 1 ATOM 3494 C CB . ILE A 1 235 ? -41.073 15.400 0.970 1.00 22.12 ? 247 ILE A CB 1 ATOM 3495 C CG1 . ILE A 1 235 ? -42.234 15.024 1.881 1.00 21.58 ? 247 ILE A CG1 1 ATOM 3496 C CG2 . ILE A 1 235 ? -39.833 14.591 1.348 1.00 21.64 ? 247 ILE A CG2 1 ATOM 3497 C CD1 . ILE A 1 235 ? -42.713 13.575 1.724 1.00 20.90 ? 247 ILE A CD1 1 ATOM 3498 H H . ILE A 1 235 ? -40.580 17.350 2.908 1.00 25.77 ? 247 ILE A H 1 ATOM 3499 H HA . ILE A 1 235 ? -40.183 17.096 0.236 1.00 25.36 ? 247 ILE A HA 1 ATOM 3500 H HB . ILE A 1 235 ? -41.318 15.163 0.062 1.00 26.55 ? 247 ILE A HB 1 ATOM 3501 H HG12 . ILE A 1 235 ? -41.958 15.145 2.803 1.00 25.89 ? 247 ILE A HG12 1 ATOM 3502 H HG13 . ILE A 1 235 ? -42.985 15.606 1.685 1.00 25.89 ? 247 ILE A HG13 1 ATOM 3503 H HG21 . ILE A 1 235 ? -40.053 13.647 1.325 1.00 25.97 ? 247 ILE A HG21 1 ATOM 3504 H HG22 . ILE A 1 235 ? -39.126 14.782 0.711 1.00 25.97 ? 247 ILE A HG22 1 ATOM 3505 H HG23 . ILE A 1 235 ? -39.551 14.845 2.241 1.00 25.97 ? 247 ILE A HG23 1 ATOM 3506 H HD11 . ILE A 1 235 ? -43.449 13.418 2.336 1.00 25.08 ? 247 ILE A HD11 1 ATOM 3507 H HD12 . ILE A 1 235 ? -43.007 13.437 0.810 1.00 25.08 ? 247 ILE A HD12 1 ATOM 3508 H HD13 . ILE A 1 235 ? -41.978 12.976 1.930 1.00 25.08 ? 247 ILE A HD13 1 ATOM 3509 N N . ALA A 1 236 ? -42.367 18.031 -0.411 1.00 20.46 ? 248 ALA A N 1 ATOM 3510 C CA . ALA A 1 236 ? -43.605 18.729 -0.732 1.00 20.06 ? 248 ALA A CA 1 ATOM 3511 C C . ALA A 1 236 ? -43.866 18.545 -2.215 1.00 20.69 ? 248 ALA A C 1 ATOM 3512 O O . ALA A 1 236 ? -43.019 18.051 -2.957 1.00 21.76 ? 248 ALA A O 1 ATOM 3513 C CB . ALA A 1 236 ? -43.548 20.229 -0.396 1.00 21.05 ? 248 ALA A CB 1 ATOM 3514 H H . ALA A 1 236 ? -41.902 17.818 -1.102 1.00 24.55 ? 248 ALA A H 1 ATOM 3515 H HA . ALA A 1 236 ? -44.339 18.331 -0.239 1.00 24.07 ? 248 ALA A HA 1 ATOM 3516 H HB1 . ALA A 1 236 ? -44.396 20.637 -0.631 1.00 25.26 ? 248 ALA A HB1 1 ATOM 3517 H HB2 . ALA A 1 236 ? -43.382 20.333 0.554 1.00 25.26 ? 248 ALA A HB2 1 ATOM 3518 H HB3 . ALA A 1 236 ? -42.831 20.639 -0.905 1.00 25.26 ? 248 ALA A HB3 1 ATOM 3519 N N . HIS A 1 237 ? -45.070 18.930 -2.625 1.00 22.12 ? 249 HIS A N 1 ATOM 3520 C CA . HIS A 1 237 ? -45.440 18.871 -4.033 1.00 21.53 ? 249 HIS A CA 1 ATOM 3521 C C . HIS A 1 237 ? -44.863 20.057 -4.799 1.00 21.52 ? 249 HIS A C 1 ATOM 3522 O O . HIS A 1 237 ? -43.900 19.895 -5.549 1.00 22.28 ? 249 HIS A O 1 ATOM 3523 C CB . HIS A 1 237 ? -46.956 18.761 -4.204 1.00 21.53 ? 249 HIS A CB 1 ATOM 3524 C CG . HIS A 1 237 ? -47.361 18.643 -5.642 1.00 21.20 ? 249 HIS A CG 1 ATOM 3525 N ND1 . HIS A 1 237 ? -47.046 17.539 -6.400 1.00 22.01 ? 249 HIS A ND1 1 ATOM 3526 C CD2 . HIS A 1 237 ? -48.030 19.487 -6.466 1.00 21.11 ? 249 HIS A CD2 1 ATOM 3527 C CE1 . HIS A 1 237 ? -47.509 17.703 -7.627 1.00 21.80 ? 249 HIS A CE1 1 ATOM 3528 N NE2 . HIS A 1 237 ? -48.111 18.878 -7.696 1.00 21.60 ? 249 HIS A NE2 1 ATOM 3529 H H . HIS A 1 237 ? -45.690 19.227 -2.109 1.00 26.54 ? 249 HIS A H 1 ATOM 3530 H HA . HIS A 1 237 ? -45.050 18.069 -4.414 1.00 25.84 ? 249 HIS A HA 1 ATOM 3531 H HB2 . HIS A 1 237 ? -47.271 17.972 -3.737 1.00 25.83 ? 249 HIS A HB2 1 ATOM 3532 H HB3 . HIS A 1 237 ? -47.375 19.555 -3.837 1.00 25.83 ? 249 HIS A HB3 1 ATOM 3533 H HD1 . HIS A 1 237 ? -46.616 16.849 -6.119 1.00 26.42 ? 249 HIS A HD1 1 ATOM 3534 H HD2 . HIS A 1 237 ? -48.372 20.322 -6.241 1.00 25.33 ? 249 HIS A HD2 1 ATOM 3535 H HE1 . HIS A 1 237 ? -47.427 17.093 -8.324 1.00 26.16 ? 249 HIS A HE1 1 ATOM 3536 N N . VAL A 1 238 ? -45.397 21.257 -4.575 1.00 21.36 ? 250 VAL A N 1 ATOM 3537 C CA . VAL A 1 238 ? -44.943 22.433 -5.308 1.00 21.34 ? 250 VAL A CA 1 ATOM 3538 C C . VAL A 1 238 ? -43.621 22.904 -4.704 1.00 21.60 ? 250 VAL A C 1 ATOM 3539 O O . VAL A 1 238 ? -43.538 23.099 -3.466 1.00 22.35 ? 250 VAL A O 1 ATOM 3540 C CB . VAL A 1 238 ? -45.986 23.550 -5.263 1.00 21.93 ? 250 VAL A CB 1 ATOM 3541 C CG1 . VAL A 1 238 ? -45.552 24.683 -6.201 1.00 23.74 ? 250 VAL A CG1 1 ATOM 3542 C CG2 . VAL A 1 238 ? -47.371 23.029 -5.593 1.00 22.26 ? 250 VAL A CG2 1 ATOM 3543 H H . VAL A 1 238 ? -46.021 21.415 -4.005 1.00 25.63 ? 250 VAL A H 1 ATOM 3544 H HA . VAL A 1 238 ? -44.788 22.195 -6.236 1.00 25.60 ? 250 VAL A HA 1 ATOM 3545 H HB . VAL A 1 238 ? -46.015 23.909 -4.363 1.00 26.31 ? 250 VAL A HB 1 ATOM 3546 H HG11 . VAL A 1 238 ? -46.216 25.389 -6.171 1.00 28.49 ? 250 VAL A HG11 1 ATOM 3547 H HG12 . VAL A 1 238 ? -44.692 25.023 -5.908 1.00 28.49 ? 250 VAL A HG12 1 ATOM 3548 H HG13 . VAL A 1 238 ? -45.480 24.335 -7.104 1.00 28.49 ? 250 VAL A HG13 1 ATOM 3549 H HG21 . VAL A 1 238 ? -48.002 23.765 -5.555 1.00 26.71 ? 250 VAL A HG21 1 ATOM 3550 H HG22 . VAL A 1 238 ? -47.361 22.648 -6.486 1.00 26.71 ? 250 VAL A HG22 1 ATOM 3551 H HG23 . VAL A 1 238 ? -47.615 22.349 -4.946 1.00 26.71 ? 250 VAL A HG23 1 ATOM 3552 N N . PRO A 1 239 ? -42.605 23.170 -5.515 1.00 22.01 ? 251 PRO A N 1 ATOM 3553 C CA . PRO A 1 239 ? -41.315 23.591 -4.954 1.00 22.51 ? 251 PRO A CA 1 ATOM 3554 C C . PRO A 1 239 ? -41.249 25.076 -4.616 1.00 24.18 ? 251 PRO A C 1 ATOM 3555 O O . PRO A 1 239 ? -42.049 25.903 -5.061 1.00 23.92 ? 251 PRO A O 1 ATOM 3556 C CB . PRO A 1 239 ? -40.337 23.253 -6.084 1.00 22.92 ? 251 PRO A CB 1 ATOM 3557 C CG . PRO A 1 239 ? -41.156 23.450 -7.351 1.00 22.34 ? 251 PRO A CG 1 ATOM 3558 C CD . PRO A 1 239 ? -42.528 22.922 -6.976 1.00 23.28 ? 251 PRO A CD 1 ATOM 3559 H HA . PRO A 1 239 ? -41.097 23.066 -4.168 1.00 27.01 ? 251 PRO A HA 1 ATOM 3560 H HB2 . PRO A 1 239 ? -39.583 23.863 -6.061 1.00 27.50 ? 251 PRO A HB2 1 ATOM 3561 H HB3 . PRO A 1 239 ? -40.042 22.333 -6.002 1.00 27.50 ? 251 PRO A HB3 1 ATOM 3562 H HG2 . PRO A 1 239 ? -41.196 24.392 -7.576 1.00 26.81 ? 251 PRO A HG2 1 ATOM 3563 H HG3 . PRO A 1 239 ? -40.772 22.934 -8.077 1.00 26.81 ? 251 PRO A HG3 1 ATOM 3564 H HD2 . PRO A 1 239 ? -43.220 23.419 -7.440 1.00 27.94 ? 251 PRO A HD2 1 ATOM 3565 H HD3 . PRO A 1 239 ? -42.588 21.972 -7.162 1.00 27.94 ? 251 PRO A HD3 1 ATOM 3566 N N . VAL A 1 240 ? -40.226 25.404 -3.832 1.00 24.04 ? 252 VAL A N 1 ATOM 3567 C CA . VAL A 1 240 ? -39.763 26.777 -3.712 1.00 23.48 ? 252 VAL A CA 1 ATOM 3568 C C . VAL A 1 240 ? -39.035 27.220 -4.974 1.00 23.44 ? 252 VAL A C 1 ATOM 3569 O O . VAL A 1 240 ? -38.725 26.413 -5.863 1.00 23.81 ? 252 VAL A O 1 ATOM 3570 C CB . VAL A 1 240 ? -38.873 26.940 -2.461 1.00 25.81 ? 252 VAL A CB 1 ATOM 3571 C CG1 . VAL A 1 240 ? -39.697 26.747 -1.185 1.00 27.96 ? 252 VAL A CG1 1 ATOM 3572 C CG2 . VAL A 1 240 ? -37.701 25.957 -2.483 1.00 26.43 ? 252 VAL A CG2 1 ATOM 3573 H H . VAL A 1 240 ? -39.780 24.843 -3.357 1.00 28.84 ? 252 VAL A H 1 ATOM 3574 H HA . VAL A 1 240 ? -40.535 27.355 -3.600 1.00 28.18 ? 252 VAL A HA 1 ATOM 3575 H HB . VAL A 1 240 ? -38.509 27.839 -2.448 1.00 30.97 ? 252 VAL A HB 1 ATOM 3576 H HG11 . VAL A 1 240 ? -39.117 26.854 -0.416 1.00 33.55 ? 252 VAL A HG11 1 ATOM 3577 H HG12 . VAL A 1 240 ? -40.404 27.411 -1.163 1.00 33.55 ? 252 VAL A HG12 1 ATOM 3578 H HG13 . VAL A 1 240 ? -40.080 25.856 -1.189 1.00 33.55 ? 252 VAL A HG13 1 ATOM 3579 H HG21 . VAL A 1 240 ? -37.165 26.088 -1.685 1.00 31.72 ? 252 VAL A HG21 1 ATOM 3580 H HG22 . VAL A 1 240 ? -38.049 25.052 -2.504 1.00 31.72 ? 252 VAL A HG22 1 ATOM 3581 H HG23 . VAL A 1 240 ? -37.164 26.124 -3.274 1.00 31.72 ? 252 VAL A HG23 1 ATOM 3582 N N . GLY A 1 241 ? -38.690 28.487 -5.011 1.00 22.78 ? 253 GLY A N 1 ATOM 3583 C CA . GLY A 1 241 ? -37.920 29.057 -6.108 1.00 23.04 ? 253 GLY A CA 1 ATOM 3584 C C . GLY A 1 241 ? -38.755 29.378 -7.340 1.00 23.58 ? 253 GLY A C 1 ATOM 3585 O O . GLY A 1 241 ? -39.996 29.453 -7.311 1.00 24.91 ? 253 GLY A O 1 ATOM 3586 H H . GLY A 1 241 ? -38.893 29.057 -4.400 1.00 27.33 ? 253 GLY A H 1 ATOM 3587 H HA2 . GLY A 1 241 ? -37.495 29.875 -5.808 1.00 27.65 ? 253 GLY A HA2 1 ATOM 3588 H HA3 . GLY A 1 241 ? -37.226 28.432 -6.368 1.00 27.65 ? 253 GLY A HA3 1 ATOM 3589 N N . TYR A 1 242 ? -38.042 29.558 -8.451 1.00 23.78 ? 254 TYR A N 1 ATOM 3590 C CA . TYR A 1 242 ? -38.579 30.116 -9.685 1.00 24.49 ? 254 TYR A CA 1 ATOM 3591 C C . TYR A 1 242 ? -38.681 29.031 -10.744 1.00 24.67 ? 254 TYR A C 1 ATOM 3592 O O . TYR A 1 242 ? -37.825 28.139 -10.821 1.00 26.50 ? 254 TYR A O 1 ATOM 3593 C CB . TYR A 1 242 ? -37.714 31.308 -10.166 1.00 25.05 ? 254 TYR A CB 1 ATOM 3594 C CG . TYR A 1 242 ? -38.030 32.542 -9.352 1.00 25.22 ? 254 TYR A CG 1 ATOM 3595 C CD1 . TYR A 1 242 ? -37.553 32.699 -8.035 1.00 26.76 ? 254 TYR A CD1 1 ATOM 3596 C CD2 . TYR A 1 242 ? -38.908 33.491 -9.843 1.00 26.98 ? 254 TYR A CD2 1 ATOM 3597 C CE1 . TYR A 1 242 ? -37.904 33.791 -7.265 1.00 27.60 ? 254 TYR A CE1 1 ATOM 3598 C CE2 . TYR A 1 242 ? -39.251 34.601 -9.082 1.00 28.10 ? 254 TYR A CE2 1 ATOM 3599 C CZ . TYR A 1 242 ? -38.764 34.719 -7.777 1.00 28.34 ? 254 TYR A CZ 1 ATOM 3600 O OH . TYR A 1 242 ? -39.117 35.784 -7.013 1.00 29.24 ? 254 TYR A OH 1 ATOM 3601 H H . TYR A 1 242 ? -37.209 29.355 -8.512 1.00 28.54 ? 254 TYR A H 1 ATOM 3602 H HA . TYR A 1 242 ? -39.474 30.448 -9.515 1.00 29.38 ? 254 TYR A HA 1 ATOM 3603 H HB2 . TYR A 1 242 ? -36.775 31.094 -10.051 1.00 30.06 ? 254 TYR A HB2 1 ATOM 3604 H HB3 . TYR A 1 242 ? -37.908 31.495 -11.098 1.00 30.06 ? 254 TYR A HB3 1 ATOM 3605 H HD1 . TYR A 1 242 ? -36.986 32.055 -7.677 1.00 32.11 ? 254 TYR A HD1 1 ATOM 3606 H HD2 . TYR A 1 242 ? -39.249 33.401 -10.703 1.00 32.38 ? 254 TYR A HD2 1 ATOM 3607 H HE1 . TYR A 1 242 ? -37.575 33.880 -6.400 1.00 33.11 ? 254 TYR A HE1 1 ATOM 3608 H HE2 . TYR A 1 242 ? -39.840 35.236 -9.420 1.00 33.72 ? 254 TYR A HE2 1 ATOM 3609 H HH . TYR A 1 242 ? -39.647 36.278 -7.438 1.00 35.09 ? 254 TYR A HH 1 ATOM 3610 N N . LEU A 1 243 ? -39.744 29.107 -11.547 1.00 24.52 ? 255 LEU A N 1 ATOM 3611 C CA . LEU A 1 243 ? -39.942 28.165 -12.647 1.00 26.17 ? 255 LEU A CA 1 ATOM 3612 C C . LEU A 1 243 ? -38.873 28.428 -13.702 1.00 27.06 ? 255 LEU A C 1 ATOM 3613 O O . LEU A 1 243 ? -38.740 29.573 -14.172 1.00 27.73 ? 255 LEU A O 1 ATOM 3614 C CB . LEU A 1 243 ? -41.349 28.264 -13.226 1.00 29.19 ? 255 LEU A CB 1 ATOM 3615 C CG . LEU A 1 243 ? -42.450 27.750 -12.257 1.00 31.97 ? 255 LEU A CG 1 ATOM 3616 C CD1 . LEU A 1 243 ? -43.808 27.887 -12.889 1.00 34.51 ? 255 LEU A CD1 1 ATOM 3617 C CD2 . LEU A 1 243 ? -42.238 26.296 -11.768 1.00 32.03 ? 255 LEU A CD2 1 ATOM 3618 H H . LEU A 1 243 ? -40.366 29.697 -11.474 1.00 29.42 ? 255 LEU A H 1 ATOM 3619 H HA . LEU A 1 243 ? -39.818 27.262 -12.315 1.00 31.40 ? 255 LEU A HA 1 ATOM 3620 H HB2 . LEU A 1 243 ? -41.540 29.193 -13.429 1.00 35.03 ? 255 LEU A HB2 1 ATOM 3621 H HB3 . LEU A 1 243 ? -41.393 27.732 -14.036 1.00 35.03 ? 255 LEU A HB3 1 ATOM 3622 H HG . LEU A 1 243 ? -42.444 28.317 -11.470 1.00 38.36 ? 255 LEU A HG 1 ATOM 3623 H HD11 . LEU A 1 243 ? -44.479 27.561 -12.269 1.00 41.41 ? 255 LEU A HD11 1 ATOM 3624 H HD12 . LEU A 1 243 ? -43.969 28.822 -13.091 1.00 41.41 ? 255 LEU A HD12 1 ATOM 3625 H HD13 . LEU A 1 243 ? -43.830 27.364 -13.706 1.00 41.41 ? 255 LEU A HD13 1 ATOM 3626 H HD21 . LEU A 1 243 ? -42.964 26.055 -11.172 1.00 38.43 ? 255 LEU A HD21 1 ATOM 3627 H HD22 . LEU A 1 243 ? -42.230 25.703 -12.536 1.00 38.43 ? 255 LEU A HD22 1 ATOM 3628 H HD23 . LEU A 1 243 ? -41.392 26.241 -11.298 1.00 38.43 ? 255 LEU A HD23 1 ATOM 3629 N N . PRO A 1 244 ? -38.072 27.428 -14.078 1.00 26.66 ? 256 PRO A N 1 ATOM 3630 C CA . PRO A 1 244 ? -36.843 27.705 -14.836 1.00 27.02 ? 256 PRO A CA 1 ATOM 3631 C C . PRO A 1 244 ? -37.059 27.979 -16.314 1.00 27.14 ? 256 PRO A C 1 ATOM 3632 O O . PRO A 1 244 ? -36.118 28.427 -16.988 1.00 28.60 ? 256 PRO A O 1 ATOM 3633 C CB . PRO A 1 244 ? -36.019 26.419 -14.626 1.00 27.22 ? 256 PRO A CB 1 ATOM 3634 C CG . PRO A 1 244 ? -37.061 25.351 -14.467 1.00 26.75 ? 256 PRO A CG 1 ATOM 3635 C CD . PRO A 1 244 ? -38.120 26.027 -13.614 1.00 25.91 ? 256 PRO A CD 1 ATOM 3636 H HA . PRO A 1 244 ? -36.370 28.453 -14.441 1.00 32.42 ? 256 PRO A HA 1 ATOM 3637 H HB2 . PRO A 1 244 ? -35.465 26.251 -15.404 1.00 32.66 ? 256 PRO A HB2 1 ATOM 3638 H HB3 . PRO A 1 244 ? -35.479 26.500 -13.824 1.00 32.66 ? 256 PRO A HB3 1 ATOM 3639 H HG2 . PRO A 1 244 ? -37.418 25.103 -15.334 1.00 32.10 ? 256 PRO A HG2 1 ATOM 3640 H HG3 . PRO A 1 244 ? -36.683 24.583 -14.011 1.00 32.10 ? 256 PRO A HG3 1 ATOM 3641 H HD2 . PRO A 1 244 ? -38.993 25.642 -13.787 1.00 31.09 ? 256 PRO A HD2 1 ATOM 3642 H HD3 . PRO A 1 244 ? -37.884 25.973 -12.674 1.00 31.09 ? 256 PRO A HD3 1 ATOM 3643 N N . TYR A 1 245 ? -38.256 27.730 -16.822 1.00 27.65 ? 257 TYR A N 1 ATOM 3644 C CA . TYR A 1 245 ? -38.599 27.981 -18.224 1.00 28.54 ? 257 TYR A CA 1 ATOM 3645 C C . TYR A 1 245 ? -39.292 29.322 -18.426 1.00 29.15 ? 257 TYR A C 1 ATOM 3646 O O . TYR A 1 245 ? -39.545 29.715 -19.574 1.00 30.23 ? 257 TYR A O 1 ATOM 3647 C CB . TYR A 1 245 ? -39.502 26.859 -18.748 1.00 29.68 ? 257 TYR A CB 1 ATOM 3648 C CG . TYR A 1 245 ? -40.784 26.730 -17.980 1.00 30.72 ? 257 TYR A CG 1 ATOM 3649 C CD1 . TYR A 1 245 ? -40.879 25.877 -16.882 1.00 30.58 ? 257 TYR A CD1 1 ATOM 3650 C CD2 . TYR A 1 245 ? -41.904 27.460 -18.342 1.00 33.00 ? 257 TYR A CD2 1 ATOM 3651 C CE1 . TYR A 1 245 ? -42.040 25.775 -16.165 1.00 31.40 ? 257 TYR A CE1 1 ATOM 3652 C CE2 . TYR A 1 245 ? -43.080 27.362 -17.630 1.00 34.05 ? 257 TYR A CE2 1 ATOM 3653 C CZ . TYR A 1 245 ? -43.148 26.504 -16.561 1.00 33.15 ? 257 TYR A CZ 1 ATOM 3654 O OH . TYR A 1 245 ? -44.320 26.414 -15.865 1.00 35.76 ? 257 TYR A OH 1 ATOM 3655 H H . TYR A 1 245 ? -38.909 27.407 -16.366 1.00 33.18 ? 257 TYR A H 1 ATOM 3656 H HA . TYR A 1 245 ? -37.785 27.982 -18.752 1.00 34.25 ? 257 TYR A HA 1 ATOM 3657 H HB2 . TYR A 1 245 ? -39.725 27.041 -19.675 1.00 35.62 ? 257 TYR A HB2 1 ATOM 3658 H HB3 . TYR A 1 245 ? -39.027 26.015 -18.682 1.00 35.62 ? 257 TYR A HB3 1 ATOM 3659 H HD1 . TYR A 1 245 ? -40.135 25.383 -16.621 1.00 36.69 ? 257 TYR A HD1 1 ATOM 3660 H HD2 . TYR A 1 245 ? -41.859 28.036 -19.071 1.00 39.60 ? 257 TYR A HD2 1 ATOM 3661 H HE1 . TYR A 1 245 ? -42.094 25.197 -15.438 1.00 37.68 ? 257 TYR A HE1 1 ATOM 3662 H HE2 . TYR A 1 245 ? -43.827 27.852 -17.887 1.00 40.86 ? 257 TYR A HE2 1 ATOM 3663 H HH . TYR A 1 245 ? -44.902 26.908 -16.216 1.00 42.91 ? 257 TYR A HH 1 ATOM 3664 N N . ALA A 1 246 ? -39.573 30.047 -17.353 1.00 30.65 ? 258 ALA A N 1 ATOM 3665 C CA . ALA A 1 246 ? -40.336 31.286 -17.396 1.00 31.55 ? 258 ALA A CA 1 ATOM 3666 C C . ALA A 1 246 ? -39.528 32.420 -16.781 1.00 31.14 ? 258 ALA A C 1 ATOM 3667 O O . ALA A 1 246 ? -38.527 32.192 -16.094 1.00 30.60 ? 258 ALA A O 1 ATOM 3668 C CB . ALA A 1 246 ? -41.633 31.133 -16.604 1.00 32.62 ? 258 ALA A CB 1 ATOM 3669 H H . ALA A 1 246 ? -39.322 29.833 -16.558 1.00 36.77 ? 258 ALA A H 1 ATOM 3670 H HA . ALA A 1 246 ? -40.551 31.512 -18.315 1.00 37.86 ? 258 ALA A HA 1 ATOM 3671 H HB1 . ALA A 1 246 ? -42.127 31.967 -16.644 1.00 39.14 ? 258 ALA A HB1 1 ATOM 3672 H HB2 . ALA A 1 246 ? -42.159 30.418 -16.994 1.00 39.14 ? 258 ALA A HB2 1 ATOM 3673 H HB3 . ALA A 1 246 ? -41.417 30.921 -15.682 1.00 39.14 ? 258 ALA A HB3 1 ATOM 3674 N N . THR A 1 247 ? -39.954 33.654 -17.060 1.00 31.35 ? 259 THR A N 1 ATOM 3675 C CA . THR A 1 247 ? -39.321 34.833 -16.484 1.00 31.40 ? 259 THR A CA 1 ATOM 3676 C C . THR A 1 247 ? -40.059 35.235 -15.209 1.00 30.62 ? 259 THR A C 1 ATOM 3677 O O . THR A 1 247 ? -41.259 35.523 -15.246 1.00 31.53 ? 259 THR A O 1 ATOM 3678 C CB . THR A 1 247 ? -39.307 35.984 -17.495 1.00 34.05 ? 259 THR A CB 1 ATOM 3679 O OG1 . THR A 1 247 ? -38.583 35.589 -18.671 1.00 35.23 ? 259 THR A OG1 1 ATOM 3680 C CG2 . THR A 1 247 ? -38.636 37.209 -16.902 1.00 34.79 ? 259 THR A CG2 1 ATOM 3681 H H . THR A 1 247 ? -40.613 33.832 -17.583 1.00 37.62 ? 259 THR A H 1 ATOM 3682 H HA . THR A 1 247 ? -38.403 34.622 -16.251 1.00 37.68 ? 259 THR A HA 1 ATOM 3683 H HB . THR A 1 247 ? -40.217 36.216 -17.736 1.00 40.86 ? 259 THR A HB 1 ATOM 3684 H HG1 . THR A 1 247 ? -38.574 36.218 -19.227 1.00 42.27 ? 259 THR A HG1 1 ATOM 3685 H HG21 . THR A 1 247 ? -38.633 37.931 -17.550 1.00 41.75 ? 259 THR A HG21 1 ATOM 3686 H HG22 . THR A 1 247 ? -39.115 37.498 -16.110 1.00 41.75 ? 259 THR A HG22 1 ATOM 3687 H HG23 . THR A 1 247 ? -37.721 37.000 -16.658 1.00 41.75 ? 259 THR A HG23 1 ATOM 3688 N N . ASP A 1 248 ? -39.345 35.247 -14.077 1.00 30.03 ? 260 ASP A N 1 ATOM 3689 C CA . ASP A 1 248 ? -39.845 35.891 -12.861 1.00 31.88 ? 260 ASP A CA 1 ATOM 3690 C C . ASP A 1 248 ? -41.209 35.335 -12.454 1.00 31.26 ? 260 ASP A C 1 ATOM 3691 O O . ASP A 1 248 ? -42.152 36.069 -12.165 1.00 32.72 ? 260 ASP A O 1 ATOM 3692 C CB . ASP A 1 248 ? -39.898 37.412 -13.039 1.00 34.79 ? 260 ASP A CB 1 ATOM 3693 C CG . ASP A 1 248 ? -40.073 38.148 -11.738 1.00 37.80 ? 260 ASP A CG 1 ATOM 3694 O OD1 . ASP A 1 248 ? -39.677 37.634 -10.670 1.00 38.07 ? 260 ASP A OD1 1 ATOM 3695 O OD2 . ASP A 1 248 ? -40.621 39.260 -11.790 1.00 39.27 ? 260 ASP A OD2 1 ATOM 3696 H H . ASP A 1 248 ? -38.568 34.888 -13.989 1.00 36.04 ? 260 ASP A H 1 ATOM 3697 H HA . ASP A 1 248 ? -39.227 35.704 -12.138 1.00 38.25 ? 260 ASP A HA 1 ATOM 3698 H HB2 . ASP A 1 248 ? -39.068 37.711 -13.442 1.00 41.75 ? 260 ASP A HB2 1 ATOM 3699 H HB3 . ASP A 1 248 ? -40.646 37.637 -13.614 1.00 41.75 ? 260 ASP A HB3 1 ATOM 3700 N N . THR A 1 249 ? -41.309 34.017 -12.421 1.00 30.32 ? 261 THR A N 1 ATOM 3701 C CA . THR A 1 249 ? -42.557 33.345 -12.089 1.00 30.87 ? 261 THR A CA 1 ATOM 3702 C C . THR A 1 249 ? -42.229 32.326 -11.013 1.00 30.77 ? 261 THR A C 1 ATOM 3703 O O . THR A 1 249 ? -41.775 31.215 -11.320 1.00 31.32 ? 261 THR A O 1 ATOM 3704 C CB . THR A 1 249 ? -43.164 32.666 -13.311 1.00 32.79 ? 261 THR A CB 1 ATOM 3705 O OG1 . THR A 1 249 ? -43.388 33.645 -14.325 1.00 33.20 ? 261 THR A OG1 1 ATOM 3706 C CG2 . THR A 1 249 ? -44.485 32.038 -12.947 1.00 35.04 ? 261 THR A CG2 1 ATOM 3707 H H . THR A 1 249 ? -40.659 33.480 -12.589 1.00 36.38 ? 261 THR A H 1 ATOM 3708 H HA . THR A 1 249 ? -43.194 33.984 -11.735 1.00 37.04 ? 261 THR A HA 1 ATOM 3709 H HB . THR A 1 249 ? -42.566 31.977 -13.640 1.00 39.35 ? 261 THR A HB 1 ATOM 3710 H HG1 . THR A 1 249 ? -42.662 34.008 -14.539 1.00 39.84 ? 261 THR A HG1 1 ATOM 3711 H HG21 . THR A 1 249 ? -44.871 31.606 -13.724 1.00 42.05 ? 261 THR A HG21 1 ATOM 3712 H HG22 . THR A 1 249 ? -44.356 31.376 -12.249 1.00 42.05 ? 261 THR A HG22 1 ATOM 3713 H HG23 . THR A 1 249 ? -45.098 32.718 -12.626 1.00 42.05 ? 261 THR A HG23 1 ATOM 3714 N N . PRO A 1 250 ? -42.410 32.681 -9.743 1.00 30.22 ? 262 PRO A N 1 ATOM 3715 C CA . PRO A 1 250 ? -42.147 31.718 -8.673 1.00 28.50 ? 262 PRO A CA 1 ATOM 3716 C C . PRO A 1 250 ? -43.195 30.610 -8.671 1.00 27.21 ? 262 PRO A C 1 ATOM 3717 O O . PRO A 1 250 ? -44.336 30.792 -9.101 1.00 27.77 ? 262 PRO A O 1 ATOM 3718 C CB . PRO A 1 250 ? -42.216 32.578 -7.406 1.00 29.87 ? 262 PRO A CB 1 ATOM 3719 C CG . PRO A 1 250 ? -43.099 33.645 -7.733 1.00 30.48 ? 262 PRO A CG 1 ATOM 3720 C CD . PRO A 1 250 ? -42.874 33.970 -9.191 1.00 30.94 ? 262 PRO A CD 1 ATOM 3721 H HA . PRO A 1 250 ? -41.260 31.334 -8.763 1.00 34.19 ? 262 PRO A HA 1 ATOM 3722 H HB2 . PRO A 1 250 ? -42.571 32.052 -6.672 1.00 35.84 ? 262 PRO A HB2 1 ATOM 3723 H HB3 . PRO A 1 250 ? -41.333 32.916 -7.191 1.00 35.84 ? 262 PRO A HB3 1 ATOM 3724 H HG2 . PRO A 1 250 ? -44.015 33.361 -7.588 1.00 36.58 ? 262 PRO A HG2 1 ATOM 3725 H HG3 . PRO A 1 250 ? -42.892 34.414 -7.180 1.00 36.58 ? 262 PRO A HG3 1 ATOM 3726 H HD2 . PRO A 1 250 ? -43.705 34.241 -9.611 1.00 37.13 ? 262 PRO A HD2 1 ATOM 3727 H HD3 . PRO A 1 250 ? -42.187 34.648 -9.286 1.00 37.13 ? 262 PRO A HD3 1 ATOM 3728 N N . ALA A 1 251 ? -42.768 29.426 -8.237 1.00 26.72 ? 263 ALA A N 1 ATOM 3729 C CA . ALA A 1 251 ? -43.656 28.276 -8.272 1.00 26.43 ? 263 ALA A CA 1 ATOM 3730 C C . ALA A 1 251 ? -44.823 28.444 -7.301 1.00 25.98 ? 263 ALA A C 1 ATOM 3731 O O . ALA A 1 251 ? -45.967 28.087 -7.626 1.00 27.37 ? 263 ALA A O 1 ATOM 3732 C CB . ALA A 1 251 ? -42.858 27.002 -8.013 1.00 28.59 ? 263 ALA A CB 1 ATOM 3733 H H . ALA A 1 251 ? -41.984 29.267 -7.923 1.00 32.06 ? 263 ALA A H 1 ATOM 3734 H HA . ALA A 1 251 ? -44.031 28.206 -9.164 1.00 31.72 ? 263 ALA A HA 1 ATOM 3735 H HB1 . ALA A 1 251 ? -43.461 26.242 -8.038 1.00 34.31 ? 263 ALA A HB1 1 ATOM 3736 H HB2 . ALA A 1 251 ? -42.179 26.909 -8.699 1.00 34.31 ? 263 ALA A HB2 1 ATOM 3737 H HB3 . ALA A 1 251 ? -42.441 27.063 -7.139 1.00 34.31 ? 263 ALA A HB3 1 ATOM 3738 N N . ILE A 1 252 ? -44.557 28.984 -6.116 1.00 25.45 ? 264 ILE A N 1 ATOM 3739 C CA . ILE A 1 252 ? -45.594 29.412 -5.189 1.00 24.83 ? 264 ILE A CA 1 ATOM 3740 C C . ILE A 1 252 ? -45.547 30.939 -5.122 1.00 24.78 ? 264 ILE A C 1 ATOM 3741 O O . ILE A 1 252 ? -44.602 31.567 -5.591 1.00 26.49 ? 264 ILE A O 1 ATOM 3742 C CB . ILE A 1 252 ? -45.440 28.772 -3.781 1.00 24.22 ? 264 ILE A CB 1 ATOM 3743 C CG1 . ILE A 1 252 ? -44.114 29.185 -3.105 1.00 26.30 ? 264 ILE A CG1 1 ATOM 3744 C CG2 . ILE A 1 252 ? -45.537 27.233 -3.874 1.00 26.64 ? 264 ILE A CG2 1 ATOM 3745 C CD1 . ILE A 1 252 ? -43.900 28.623 -1.671 1.00 26.97 ? 264 ILE A CD1 1 ATOM 3746 H H . ILE A 1 252 ? -43.761 29.116 -5.820 1.00 30.54 ? 264 ILE A H 1 ATOM 3747 H HA . ILE A 1 252 ? -46.459 29.154 -5.543 1.00 29.80 ? 264 ILE A HA 1 ATOM 3748 H HB . ILE A 1 252 ? -46.171 29.087 -3.226 1.00 29.06 ? 264 ILE A HB 1 ATOM 3749 H HG12 . ILE A 1 252 ? -43.378 28.871 -3.654 1.00 31.56 ? 264 ILE A HG12 1 ATOM 3750 H HG13 . ILE A 1 252 ? -44.086 30.152 -3.047 1.00 31.56 ? 264 ILE A HG13 1 ATOM 3751 H HG21 . ILE A 1 252 ? -45.439 26.856 -2.986 1.00 31.97 ? 264 ILE A HG21 1 ATOM 3752 H HG22 . ILE A 1 252 ? -46.402 26.993 -4.242 1.00 31.97 ? 264 ILE A HG22 1 ATOM 3753 H HG23 . ILE A 1 252 ? -44.829 26.907 -4.452 1.00 31.97 ? 264 ILE A HG23 1 ATOM 3754 H HD11 . ILE A 1 252 ? -43.045 28.935 -1.334 1.00 32.37 ? 264 ILE A HD11 1 ATOM 3755 H HD12 . ILE A 1 252 ? -44.617 28.938 -1.099 1.00 32.37 ? 264 ILE A HD12 1 ATOM 3756 H HD13 . ILE A 1 252 ? -43.907 27.653 -1.707 1.00 32.37 ? 264 ILE A HD13 1 ATOM 3757 N N . ARG A 1 253 ? -46.576 31.539 -4.520 1.00 24.75 ? 265 ARG A N 1 ATOM 3758 C CA . ARG A 1 253 ? -46.648 32.996 -4.462 1.00 25.70 ? 265 ARG A CA 1 ATOM 3759 C C . ARG A 1 253 ? -45.410 33.579 -3.790 1.00 26.66 ? 265 ARG A C 1 ATOM 3760 O O . ARG A 1 253 ? -44.933 33.065 -2.782 1.00 28.20 ? 265 ARG A O 1 ATOM 3761 C CB . ARG A 1 253 ? -47.874 33.440 -3.681 1.00 26.29 ? 265 ARG A CB 1 ATOM 3762 C CG . ARG A 1 253 ? -49.197 33.108 -4.319 1.00 28.92 ? 265 ARG A CG 1 ATOM 3763 C CD . ARG A 1 253 ? -50.358 33.848 -3.610 1.00 32.13 ? 265 ARG A CD 1 ATOM 3764 N NE . ARG A 1 253 ? -51.546 33.127 -4.006 1.00 35.09 ? 265 ARG A NE 1 ATOM 3765 C CZ . ARG A 1 253 ? -52.385 32.471 -3.198 1.00 35.76 ? 265 ARG A CZ 1 ATOM 3766 N NH1 . ARG A 1 253 ? -52.295 32.538 -1.862 1.00 37.04 ? 265 ARG A NH1 1 ATOM 3767 N NH2 . ARG A 1 253 ? -53.355 31.761 -3.754 1.00 34.17 ? 265 ARG A NH2 1 ATOM 3768 H H . ARG A 1 253 ? -47.234 31.132 -4.145 1.00 29.70 ? 265 ARG A H 1 ATOM 3769 H HA . ARG A 1 253 ? -46.709 33.354 -5.362 1.00 30.84 ? 265 ARG A HA 1 ATOM 3770 H HB2 . ARG A 1 253 ? -47.856 33.012 -2.810 1.00 31.55 ? 265 ARG A HB2 1 ATOM 3771 H HB3 . ARG A 1 253 ? -47.837 34.403 -3.570 1.00 31.55 ? 265 ARG A HB3 1 ATOM 3772 H HG2 . ARG A 1 253 ? -49.183 33.383 -5.250 1.00 34.71 ? 265 ARG A HG2 1 ATOM 3773 H HG3 . ARG A 1 253 ? -49.357 32.154 -4.252 1.00 34.71 ? 265 ARG A HG3 1 ATOM 3774 H HD2 . ARG A 1 253 ? -50.255 33.799 -2.647 1.00 38.55 ? 265 ARG A HD2 1 ATOM 3775 H HD3 . ARG A 1 253 ? -50.417 34.765 -3.919 1.00 38.55 ? 265 ARG A HD3 1 ATOM 3776 H HE . ARG A 1 253 ? -51.731 33.119 -4.846 1.00 42.10 ? 265 ARG A HE 1 ATOM 3777 H HH11 . ARG A 1 253 ? -51.651 32.975 -1.496 1.00 44.45 ? 265 ARG A HH11 1 ATOM 3778 H HH12 . ARG A 1 253 ? -52.866 32.123 -1.371 1.00 44.45 ? 265 ARG A HH12 1 ATOM 3779 H HH21 . ARG A 1 253 ? -53.436 31.741 -4.610 1.00 41.01 ? 265 ARG A HH21 1 ATOM 3780 H HH22 . ARG A 1 253 ? -53.944 31.377 -3.259 1.00 41.01 ? 265 ARG A HH22 1 ATOM 3781 N N . GLN A 1 254 ? -44.931 34.699 -4.325 1.00 27.79 ? 266 GLN A N 1 ATOM 3782 C CA . GLN A 1 254 ? -43.709 35.327 -3.832 1.00 28.98 ? 266 GLN A CA 1 ATOM 3783 C C . GLN A 1 254 ? -43.703 35.500 -2.313 1.00 28.66 ? 266 GLN A C 1 ATOM 3784 O O . GLN A 1 254 ? -42.690 35.247 -1.658 1.00 28.14 ? 266 GLN A O 1 ATOM 3785 C CB . GLN A 1 254 ? -43.532 36.674 -4.529 1.00 32.21 ? 266 GLN A CB 1 ATOM 3786 C CG . GLN A 1 254 ? -42.380 37.440 -3.990 1.00 35.18 ? 266 GLN A CG 1 ATOM 3787 C CD . GLN A 1 254 ? -42.082 38.714 -4.761 1.00 37.78 ? 266 GLN A CD 1 ATOM 3788 O OE1 . GLN A 1 254 ? -42.249 38.790 -5.975 1.00 38.53 ? 266 GLN A OE1 1 ATOM 3789 N NE2 . GLN A 1 254 ? -41.638 39.718 -4.044 1.00 40.19 ? 266 GLN A NE2 1 ATOM 3790 H H . GLN A 1 254 ? -45.299 35.118 -4.980 1.00 33.35 ? 266 GLN A H 1 ATOM 3791 H HA . GLN A 1 254 ? -42.953 34.768 -4.070 1.00 34.78 ? 266 GLN A HA 1 ATOM 3792 H HB2 . GLN A 1 254 ? -43.379 36.525 -5.475 1.00 38.65 ? 266 GLN A HB2 1 ATOM 3793 H HB3 . GLN A 1 254 ? -44.333 37.206 -4.401 1.00 38.65 ? 266 GLN A HB3 1 ATOM 3794 H HG2 . GLN A 1 254 ? -42.569 37.686 -3.071 1.00 42.21 ? 266 GLN A HG2 1 ATOM 3795 H HG3 . GLN A 1 254 ? -41.588 36.880 -4.024 1.00 42.21 ? 266 GLN A HG3 1 ATOM 3796 H HE21 . GLN A 1 254 ? -41.532 39.628 -3.196 1.00 48.23 ? 266 GLN A HE21 1 ATOM 3797 H HE22 . GLN A 1 254 ? -41.451 40.467 -4.424 1.00 48.23 ? 266 GLN A HE22 1 ATOM 3798 N N . TYR A 1 255 ? -44.797 35.986 -1.736 1.00 29.00 ? 267 TYR A N 1 ATOM 3799 C CA . TYR A 1 255 ? -44.797 36.249 -0.301 1.00 29.39 ? 267 TYR A CA 1 ATOM 3800 C C . TYR A 1 255 ? -44.458 34.983 0.468 1.00 26.57 ? 267 TYR A C 1 ATOM 3801 O O . TYR A 1 255 ? -43.652 35.004 1.419 1.00 27.37 ? 267 TYR A O 1 ATOM 3802 C CB . TYR A 1 255 ? -46.165 36.783 0.120 1.00 31.84 ? 267 TYR A CB 1 ATOM 3803 C CG . TYR A 1 255 ? -46.337 36.947 1.615 1.00 34.93 ? 267 TYR A CG 1 ATOM 3804 C CD1 . TYR A 1 255 ? -46.928 35.948 2.371 1.00 36.04 ? 267 TYR A CD1 1 ATOM 3805 C CD2 . TYR A 1 255 ? -45.899 38.087 2.279 1.00 36.09 ? 267 TYR A CD2 1 ATOM 3806 C CE1 . TYR A 1 255 ? -47.101 36.076 3.729 1.00 36.99 ? 267 TYR A CE1 1 ATOM 3807 C CE2 . TYR A 1 255 ? -46.067 38.208 3.647 1.00 37.42 ? 267 TYR A CE2 1 ATOM 3808 C CZ . TYR A 1 255 ? -46.666 37.182 4.361 1.00 38.00 ? 267 TYR A CZ 1 ATOM 3809 O OH . TYR A 1 255 ? -46.849 37.275 5.729 1.00 39.92 ? 267 TYR A OH 1 ATOM 3810 H H . TYR A 1 255 ? -45.534 36.168 -2.140 1.00 34.79 ? 267 TYR A H 1 ATOM 3811 H HA . TYR A 1 255 ? -44.129 36.922 -0.096 1.00 35.27 ? 267 TYR A HA 1 ATOM 3812 H HB2 . TYR A 1 255 ? -46.299 37.653 -0.288 1.00 38.20 ? 267 TYR A HB2 1 ATOM 3813 H HB3 . TYR A 1 255 ? -46.848 36.168 -0.190 1.00 38.20 ? 267 TYR A HB3 1 ATOM 3814 H HD1 . TYR A 1 255 ? -47.230 35.178 1.947 1.00 43.24 ? 267 TYR A HD1 1 ATOM 3815 H HD2 . TYR A 1 255 ? -45.494 38.774 1.801 1.00 43.31 ? 267 TYR A HD2 1 ATOM 3816 H HE1 . TYR A 1 255 ? -47.500 35.389 4.213 1.00 44.38 ? 267 TYR A HE1 1 ATOM 3817 H HE2 . TYR A 1 255 ? -45.773 38.973 4.087 1.00 44.91 ? 267 TYR A HE2 1 ATOM 3818 H HH . TYR A 1 255 ? -46.540 38.003 6.011 1.00 47.90 ? 267 TYR A HH 1 ATOM 3819 N N . TYR A 1 256 ? -45.041 33.867 0.043 1.00 26.18 ? 268 TYR A N 1 ATOM 3820 C CA . TYR A 1 256 ? -44.822 32.597 0.705 1.00 24.85 ? 268 TYR A CA 1 ATOM 3821 C C . TYR A 1 256 ? -43.463 32.015 0.366 1.00 24.46 ? 268 TYR A C 1 ATOM 3822 O O . TYR A 1 256 ? -42.808 31.441 1.244 1.00 25.04 ? 268 TYR A O 1 ATOM 3823 C CB . TYR A 1 256 ? -45.939 31.625 0.337 1.00 23.86 ? 268 TYR A CB 1 ATOM 3824 C CG . TYR A 1 256 ? -47.316 32.047 0.811 1.00 25.04 ? 268 TYR A CG 1 ATOM 3825 C CD1 . TYR A 1 256 ? -47.552 32.475 2.124 1.00 24.84 ? 268 TYR A CD1 1 ATOM 3826 C CD2 . TYR A 1 256 ? -48.375 32.034 -0.068 1.00 25.62 ? 268 TYR A CD2 1 ATOM 3827 C CE1 . TYR A 1 256 ? -48.819 32.841 2.522 1.00 25.62 ? 268 TYR A CE1 1 ATOM 3828 C CE2 . TYR A 1 256 ? -49.632 32.379 0.309 1.00 27.46 ? 268 TYR A CE2 1 ATOM 3829 C CZ . TYR A 1 256 ? -49.859 32.808 1.589 1.00 27.46 ? 268 TYR A CZ 1 ATOM 3830 O OH . TYR A 1 256 ? -51.136 33.163 1.949 1.00 28.30 ? 268 TYR A OH 1 ATOM 3831 H H . TYR A 1 256 ? -45.572 33.823 -0.632 1.00 31.42 ? 268 TYR A H 1 ATOM 3832 H HA . TYR A 1 256 ? -44.853 32.736 1.664 1.00 29.82 ? 268 TYR A HA 1 ATOM 3833 H HB2 . TYR A 1 256 ? -45.972 31.541 -0.628 1.00 28.64 ? 268 TYR A HB2 1 ATOM 3834 H HB3 . TYR A 1 256 ? -45.743 30.762 0.734 1.00 28.64 ? 268 TYR A HB3 1 ATOM 3835 H HD1 . TYR A 1 256 ? -46.852 32.496 2.735 1.00 29.81 ? 268 TYR A HD1 1 ATOM 3836 H HD2 . TYR A 1 256 ? -48.231 31.746 -0.941 1.00 30.74 ? 268 TYR A HD2 1 ATOM 3837 H HE1 . TYR A 1 256 ? -48.976 33.125 3.394 1.00 30.74 ? 268 TYR A HE1 1 ATOM 3838 H HE2 . TYR A 1 256 ? -50.328 32.361 -0.308 1.00 32.96 ? 268 TYR A HE2 1 ATOM 3839 H HH . TYR A 1 256 ? -51.156 33.381 2.760 1.00 33.95 ? 268 TYR A HH 1 ATOM 3840 N N . ASN A 1 257 ? -43.022 32.119 -0.891 1.00 25.13 ? 269 ASN A N 1 ATOM 3841 C CA . ASN A 1 257 ? -41.678 31.655 -1.241 1.00 24.34 ? 269 ASN A CA 1 ATOM 3842 C C . ASN A 1 257 ? -40.625 32.312 -0.344 1.00 24.78 ? 269 ASN A C 1 ATOM 3843 O O . ASN A 1 257 ? -39.756 31.633 0.224 1.00 25.46 ? 269 ASN A O 1 ATOM 3844 C CB . ASN A 1 257 ? -41.391 31.937 -2.733 1.00 24.18 ? 269 ASN A CB 1 ATOM 3845 C CG . ASN A 1 257 ? -40.069 31.339 -3.209 1.00 24.88 ? 269 ASN A CG 1 ATOM 3846 O OD1 . ASN A 1 257 ? -39.749 30.164 -2.939 1.00 24.77 ? 269 ASN A OD1 1 ATOM 3847 N ND2 . ASN A 1 257 ? -39.298 32.141 -3.935 1.00 26.10 ? 269 ASN A ND2 1 ATOM 3848 H H . ASN A 1 257 ? -43.472 32.448 -1.546 1.00 30.16 ? 269 ASN A H 1 ATOM 3849 H HA . ASN A 1 257 ? -41.631 30.696 -1.104 1.00 29.20 ? 269 ASN A HA 1 ATOM 3850 H HB2 . ASN A 1 257 ? -42.103 31.554 -3.269 1.00 29.01 ? 269 ASN A HB2 1 ATOM 3851 H HB3 . ASN A 1 257 ? -41.353 32.896 -2.871 1.00 29.01 ? 269 ASN A HB3 1 ATOM 3852 H HD21 . ASN A 1 257 ? -38.541 31.858 -4.230 1.00 31.32 ? 269 ASN A HD21 1 ATOM 3853 H HD22 . ASN A 1 257 ? -39.555 32.942 -4.109 1.00 31.32 ? 269 ASN A HD22 1 ATOM 3854 N N . GLU A 1 258 ? -40.713 33.630 -0.168 1.00 26.50 ? 270 GLU A N 1 ATOM 3855 C CA . GLU A 1 258 ? -39.732 34.340 0.649 1.00 27.39 ? 270 GLU A CA 1 ATOM 3856 C C . GLU A 1 258 ? -39.761 33.866 2.099 1.00 27.63 ? 270 GLU A C 1 ATOM 3857 O O . GLU A 1 258 ? -38.705 33.688 2.721 1.00 28.19 ? 270 GLU A O 1 ATOM 3858 C CB . GLU A 1 258 ? -40.002 35.839 0.582 1.00 29.45 ? 270 GLU A CB 1 ATOM 3859 C CG . GLU A 1 258 ? -39.860 36.430 -0.809 1.00 31.33 ? 270 GLU A CG 1 ATOM 3860 C CD . GLU A 1 258 ? -38.448 36.348 -1.347 1.00 32.76 ? 270 GLU A CD 1 ATOM 3861 O OE1 . GLU A 1 258 ? -37.518 36.775 -0.616 1.00 33.05 ? 270 GLU A OE1 1 ATOM 3862 O OE2 . GLU A 1 258 ? -38.268 35.871 -2.501 1.00 32.54 ? 270 GLU A OE2 1 ATOM 3863 H H . GLU A 1 258 ? -41.325 34.131 -0.506 1.00 31.80 ? 270 GLU A H 1 ATOM 3864 H HA . GLU A 1 258 ? -38.844 34.176 0.295 1.00 32.87 ? 270 GLU A HA 1 ATOM 3865 H HB2 . GLU A 1 258 ? -40.909 36.006 0.882 1.00 35.34 ? 270 GLU A HB2 1 ATOM 3866 H HB3 . GLU A 1 258 ? -39.375 36.296 1.163 1.00 35.34 ? 270 GLU A HB3 1 ATOM 3867 H HG2 . GLU A 1 258 ? -40.440 35.947 -1.418 1.00 37.60 ? 270 GLU A HG2 1 ATOM 3868 H HG3 . GLU A 1 258 ? -40.115 37.366 -0.781 1.00 37.60 ? 270 GLU A HG3 1 ATOM 3869 N N . LYS A 1 259 ? -40.961 33.698 2.665 1.00 28.27 ? 271 LYS A N 1 ATOM 3870 C CA . LYS A 1 259 ? -41.094 33.274 4.060 1.00 29.13 ? 271 LYS A CA 1 ATOM 3871 C C . LYS A 1 259 ? -40.553 31.869 4.266 1.00 27.85 ? 271 LYS A C 1 ATOM 3872 O O . LYS A 1 259 ? -39.901 31.591 5.284 1.00 27.92 ? 271 LYS A O 1 ATOM 3873 C CB . LYS A 1 259 ? -42.559 33.296 4.481 1.00 32.62 ? 271 LYS A CB 1 ATOM 3874 C CG . LYS A 1 259 ? -43.025 34.590 5.022 1.00 36.91 ? 271 LYS A CG 1 ATOM 3875 C CD . LYS A 1 259 ? -44.444 34.463 5.569 1.00 38.36 ? 271 LYS A CD 1 ATOM 3876 C CE . LYS A 1 259 ? -44.490 34.717 7.026 1.00 39.47 ? 271 LYS A CE 1 ATOM 3877 N NZ . LYS A 1 259 ? -45.876 34.944 7.552 1.00 37.45 ? 271 LYS A NZ 1 ATOM 3878 H H . LYS A 1 259 ? -41.710 33.822 2.262 1.00 33.93 ? 271 LYS A H 1 ATOM 3879 H HA . LYS A 1 259 ? -40.599 33.882 4.632 1.00 34.96 ? 271 LYS A HA 1 ATOM 3880 H HB2 . LYS A 1 259 ? -43.107 33.086 3.708 1.00 39.15 ? 271 LYS A HB2 1 ATOM 3881 H HB3 . LYS A 1 259 ? -42.694 32.625 5.168 1.00 39.15 ? 271 LYS A HB3 1 ATOM 3882 H HG2 . LYS A 1 259 ? -42.441 34.867 5.746 1.00 44.29 ? 271 LYS A HG2 1 ATOM 3883 H HG3 . LYS A 1 259 ? -43.027 35.254 4.315 1.00 44.29 ? 271 LYS A HG3 1 ATOM 3884 H HD2 . LYS A 1 259 ? -45.016 35.112 5.129 1.00 46.03 ? 271 LYS A HD2 1 ATOM 3885 H HD3 . LYS A 1 259 ? -44.770 33.564 5.406 1.00 46.03 ? 271 LYS A HD3 1 ATOM 3886 H HE2 . LYS A 1 259 ? -44.118 33.950 7.490 1.00 47.36 ? 271 LYS A HE2 1 ATOM 3887 H HE3 . LYS A 1 259 ? -43.964 35.508 7.223 1.00 47.36 ? 271 LYS A HE3 1 ATOM 3888 H HZ1 . LYS A 1 259 ? -45.848 35.092 8.429 1.00 44.94 ? 271 LYS A HZ1 1 ATOM 3889 H HZ2 . LYS A 1 259 ? -46.241 35.650 7.151 1.00 44.94 ? 271 LYS A HZ2 1 ATOM 3890 H HZ3 . LYS A 1 259 ? -46.382 34.229 7.394 1.00 44.94 ? 271 LYS A HZ3 1 ATOM 3891 N N . LEU A 1 260 ? -40.836 30.963 3.320 1.00 27.73 ? 272 LEU A N 1 ATOM 3892 C CA . LEU A 1 260 ? -40.386 29.586 3.463 1.00 26.03 ? 272 LEU A CA 1 ATOM 3893 C C . LEU A 1 260 ? -38.871 29.499 3.315 1.00 25.98 ? 272 LEU A C 1 ATOM 3894 O O . LEU A 1 260 ? -38.191 28.824 4.108 1.00 25.95 ? 272 LEU A O 1 ATOM 3895 C CB . LEU A 1 260 ? -41.116 28.728 2.436 1.00 26.67 ? 272 LEU A CB 1 ATOM 3896 C CG . LEU A 1 260 ? -41.143 27.252 2.599 1.00 27.51 ? 272 LEU A CG 1 ATOM 3897 C CD1 . LEU A 1 260 ? -41.536 26.816 3.989 1.00 27.62 ? 272 LEU A CD1 1 ATOM 3898 C CD2 . LEU A 1 260 ? -42.102 26.672 1.530 1.00 28.17 ? 272 LEU A CD2 1 ATOM 3899 H H . LEU A 1 260 ? -41.279 31.123 2.600 1.00 33.28 ? 272 LEU A H 1 ATOM 3900 H HA . LEU A 1 260 ? -40.622 29.265 4.348 1.00 31.24 ? 272 LEU A HA 1 ATOM 3901 H HB2 . LEU A 1 260 ? -42.041 29.020 2.416 1.00 32.00 ? 272 LEU A HB2 1 ATOM 3902 H HB3 . LEU A 1 260 ? -40.715 28.903 1.571 1.00 32.00 ? 272 LEU A HB3 1 ATOM 3903 H HG . LEU A 1 260 ? -40.256 26.904 2.420 1.00 33.01 ? 272 LEU A HG 1 ATOM 3904 H HD11 . LEU A 1 260 ? -41.534 25.846 4.027 1.00 33.15 ? 272 LEU A HD11 1 ATOM 3905 H HD12 . LEU A 1 260 ? -40.897 27.174 4.624 1.00 33.15 ? 272 LEU A HD12 1 ATOM 3906 H HD13 . LEU A 1 260 ? -42.424 27.153 4.186 1.00 33.15 ? 272 LEU A HD13 1 ATOM 3907 H HD21 . LEU A 1 260 ? -42.131 25.707 1.622 1.00 33.81 ? 272 LEU A HD21 1 ATOM 3908 H HD22 . LEU A 1 260 ? -42.987 27.044 1.665 1.00 33.81 ? 272 LEU A HD22 1 ATOM 3909 H HD23 . LEU A 1 260 ? -41.773 26.911 0.649 1.00 33.81 ? 272 LEU A HD23 1 ATOM 3910 N N . LEU A 1 261 ? -38.316 30.217 2.345 1.00 24.82 ? 273 LEU A N 1 ATOM 3911 C CA . LEU A 1 261 ? -36.867 30.213 2.174 1.00 24.70 ? 273 LEU A CA 1 ATOM 3912 C C . LEU A 1 261 ? -36.167 30.804 3.392 1.00 24.92 ? 273 LEU A C 1 ATOM 3913 O O . LEU A 1 261 ? -35.071 30.365 3.756 1.00 26.82 ? 273 LEU A O 1 ATOM 3914 C CB . LEU A 1 261 ? -36.488 31.000 0.933 1.00 25.33 ? 273 LEU A CB 1 ATOM 3915 C CG . LEU A 1 261 ? -36.937 30.395 -0.400 1.00 24.94 ? 273 LEU A CG 1 ATOM 3916 C CD1 . LEU A 1 261 ? -36.571 31.346 -1.514 1.00 25.68 ? 273 LEU A CD1 1 ATOM 3917 C CD2 . LEU A 1 261 ? -36.271 29.024 -0.616 1.00 26.05 ? 273 LEU A CD2 1 ATOM 3918 H H . LEU A 1 261 ? -38.745 30.705 1.782 1.00 29.79 ? 273 LEU A H 1 ATOM 3919 H HA . LEU A 1 261 ? -36.561 29.300 2.061 1.00 29.64 ? 273 LEU A HA 1 ATOM 3920 H HB2 . LEU A 1 261 ? -36.884 31.883 0.998 1.00 30.40 ? 273 LEU A HB2 1 ATOM 3921 H HB3 . LEU A 1 261 ? -35.522 31.080 0.905 1.00 30.40 ? 273 LEU A HB3 1 ATOM 3922 H HG . LEU A 1 261 ? -37.899 30.276 -0.397 1.00 29.93 ? 273 LEU A HG 1 ATOM 3923 H HD11 . LEU A 1 261 ? -36.854 30.965 -2.360 1.00 30.82 ? 273 LEU A HD11 1 ATOM 3924 H HD12 . LEU A 1 261 ? -37.020 32.193 -1.366 1.00 30.82 ? 273 LEU A HD12 1 ATOM 3925 H HD13 . LEU A 1 261 ? -35.609 31.476 -1.515 1.00 30.82 ? 273 LEU A HD13 1 ATOM 3926 H HD21 . LEU A 1 261 ? -36.568 28.659 -1.464 1.00 31.26 ? 273 LEU A HD21 1 ATOM 3927 H HD22 . LEU A 1 261 ? -35.307 29.139 -0.624 1.00 31.26 ? 273 LEU A HD22 1 ATOM 3928 H HD23 . LEU A 1 261 ? -36.527 28.431 0.108 1.00 31.26 ? 273 LEU A HD23 1 ATOM 3929 N N . ASP A 1 262 ? -36.766 31.813 4.034 1.00 25.61 ? 274 ASP A N 1 ATOM 3930 C CA . ASP A 1 262 ? -36.144 32.376 5.233 1.00 27.96 ? 274 ASP A CA 1 ATOM 3931 C C . ASP A 1 262 ? -36.012 31.313 6.321 1.00 26.90 ? 274 ASP A C 1 ATOM 3932 O O . ASP A 1 262 ? -34.986 31.228 6.991 1.00 28.39 ? 274 ASP A O 1 ATOM 3933 C CB . ASP A 1 262 ? -36.972 33.538 5.758 1.00 30.56 ? 274 ASP A CB 1 ATOM 3934 C CG . ASP A 1 262 ? -36.874 34.797 4.911 1.00 37.56 ? 274 ASP A CG 1 ATOM 3935 O OD1 . ASP A 1 262 ? -36.004 34.893 4.007 1.00 40.40 ? 274 ASP A OD1 1 ATOM 3936 O OD2 . ASP A 1 262 ? -37.688 35.725 5.184 1.00 40.74 ? 274 ASP A OD2 1 ATOM 3937 H H . ASP A 1 262 ? -37.509 32.179 3.803 1.00 30.73 ? 274 ASP A H 1 ATOM 3938 H HA . ASP A 1 262 ? -35.258 32.704 5.014 1.00 33.55 ? 274 ASP A HA 1 ATOM 3939 H HB2 . ASP A 1 262 ? -37.904 33.270 5.785 1.00 36.67 ? 274 ASP A HB2 1 ATOM 3940 H HB3 . ASP A 1 262 ? -36.668 33.758 6.653 1.00 36.67 ? 274 ASP A HB3 1 ATOM 3941 N N . ILE A 1 263 ? -37.033 30.477 6.486 1.00 25.55 ? 275 ILE A N 1 ATOM 3942 C CA . ILE A 1 263 ? -36.976 29.386 7.454 1.00 25.74 ? 275 ILE A CA 1 ATOM 3943 C C . ILE A 1 263 ? -35.923 28.365 7.047 1.00 25.20 ? 275 ILE A C 1 ATOM 3944 O O . ILE A 1 263 ? -35.117 27.914 7.882 1.00 26.21 ? 275 ILE A O 1 ATOM 3945 C CB . ILE A 1 263 ? -38.367 28.744 7.591 1.00 26.14 ? 275 ILE A CB 1 ATOM 3946 C CG1 . ILE A 1 263 ? -39.346 29.744 8.202 1.00 27.59 ? 275 ILE A CG1 1 ATOM 3947 C CG2 . ILE A 1 263 ? -38.283 27.481 8.442 1.00 26.22 ? 275 ILE A CG2 1 ATOM 3948 C CD1 . ILE A 1 263 ? -40.775 29.336 8.051 1.00 26.25 ? 275 ILE A CD1 1 ATOM 3949 H H . ILE A 1 263 ? -37.772 30.520 6.049 1.00 30.65 ? 275 ILE A H 1 ATOM 3950 H HA . ILE A 1 263 ? -36.726 29.745 8.320 1.00 30.89 ? 275 ILE A HA 1 ATOM 3951 H HB . ILE A 1 263 ? -38.684 28.501 6.707 1.00 31.37 ? 275 ILE A HB 1 ATOM 3952 H HG12 . ILE A 1 263 ? -39.158 29.829 9.150 1.00 33.11 ? 275 ILE A HG12 1 ATOM 3953 H HG13 . ILE A 1 263 ? -39.233 30.603 7.765 1.00 33.11 ? 275 ILE A HG13 1 ATOM 3954 H HG21 . ILE A 1 263 ? -39.169 27.092 8.516 1.00 31.47 ? 275 ILE A HG21 1 ATOM 3955 H HG22 . ILE A 1 263 ? -37.680 26.853 8.015 1.00 31.47 ? 275 ILE A HG22 1 ATOM 3956 H HG23 . ILE A 1 263 ? -37.950 27.716 9.322 1.00 31.47 ? 275 ILE A HG23 1 ATOM 3957 H HD11 . ILE A 1 263 ? -41.341 30.011 8.459 1.00 31.50 ? 275 ILE A HD11 1 ATOM 3958 H HD12 . ILE A 1 263 ? -40.982 29.256 7.107 1.00 31.50 ? 275 ILE A HD12 1 ATOM 3959 H HD13 . ILE A 1 263 ? -40.908 28.482 8.492 1.00 31.50 ? 275 ILE A HD13 1 ATOM 3960 N N . PHE A 1 264 ? -35.935 27.959 5.775 1.00 26.02 ? 276 PHE A N 1 ATOM 3961 C CA . PHE A 1 264 ? -34.976 26.968 5.304 1.00 25.00 ? 276 PHE A CA 1 ATOM 3962 C C . PHE A 1 264 ? -33.532 27.440 5.451 1.00 26.67 ? 276 PHE A C 1 ATOM 3963 O O . PHE A 1 264 ? -32.666 26.648 5.826 1.00 27.37 ? 276 PHE A O 1 ATOM 3964 C CB . PHE A 1 264 ? -35.242 26.599 3.851 1.00 23.98 ? 276 PHE A CB 1 ATOM 3965 C CG . PHE A 1 264 ? -36.522 25.837 3.614 1.00 24.57 ? 276 PHE A CG 1 ATOM 3966 C CD1 . PHE A 1 264 ? -37.222 25.204 4.628 1.00 25.33 ? 276 PHE A CD1 1 ATOM 3967 C CD2 . PHE A 1 264 ? -37.015 25.758 2.338 1.00 24.75 ? 276 PHE A CD2 1 ATOM 3968 C CE1 . PHE A 1 264 ? -38.396 24.503 4.353 1.00 24.36 ? 276 PHE A CE1 1 ATOM 3969 C CE2 . PHE A 1 264 ? -38.172 25.073 2.050 1.00 24.38 ? 276 PHE A CE2 1 ATOM 3970 C CZ . PHE A 1 264 ? -38.858 24.434 3.072 1.00 24.50 ? 276 PHE A CZ 1 ATOM 3971 H H . PHE A 1 264 ? -36.483 28.240 5.174 1.00 31.22 ? 276 PHE A H 1 ATOM 3972 H HA . PHE A 1 264 ? -35.077 26.162 5.835 1.00 30.00 ? 276 PHE A HA 1 ATOM 3973 H HB2 . PHE A 1 264 ? -35.287 27.415 3.329 1.00 28.78 ? 276 PHE A HB2 1 ATOM 3974 H HB3 . PHE A 1 264 ? -34.510 26.049 3.533 1.00 28.78 ? 276 PHE A HB3 1 ATOM 3975 H HD1 . PHE A 1 264 ? -36.903 25.243 5.501 1.00 30.39 ? 276 PHE A HD1 1 ATOM 3976 H HD2 . PHE A 1 264 ? -36.553 26.177 1.648 1.00 29.69 ? 276 PHE A HD2 1 ATOM 3977 H HE1 . PHE A 1 264 ? -38.859 24.080 5.040 1.00 29.23 ? 276 PHE A HE1 1 ATOM 3978 H HE2 . PHE A 1 264 ? -38.487 25.030 1.176 1.00 29.26 ? 276 PHE A HE2 1 ATOM 3979 H HZ . PHE A 1 264 ? -39.645 23.974 2.887 1.00 29.40 ? 276 PHE A HZ 1 ATOM 3980 N N . ARG A 1 265 ? -33.236 28.704 5.140 1.00 26.88 ? 277 ARG A N 1 ATOM 3981 C CA . ARG A 1 265 ? -31.860 29.192 5.324 1.00 28.11 ? 277 ARG A CA 1 ATOM 3982 C C . ARG A 1 265 ? -31.434 29.107 6.776 1.00 29.74 ? 277 ARG A C 1 ATOM 3983 O O . ARG A 1 265 ? -30.309 28.700 7.087 1.00 29.96 ? 277 ARG A O 1 ATOM 3984 C CB . ARG A 1 265 ? -31.714 30.645 4.848 1.00 29.40 ? 277 ARG A CB 1 ATOM 3985 C CG . ARG A 1 265 ? -31.675 30.790 3.352 1.00 31.25 ? 277 ARG A CG 1 ATOM 3986 C CD . ARG A 1 265 ? -31.188 32.183 2.913 1.00 35.85 ? 277 ARG A CD 1 ATOM 3987 N NE . ARG A 1 265 ? -32.043 32.579 1.824 1.00 40.94 ? 277 ARG A NE 1 ATOM 3988 C CZ . ARG A 1 265 ? -33.149 33.296 1.972 1.00 41.29 ? 277 ARG A CZ 1 ATOM 3989 N NH1 . ARG A 1 265 ? -33.482 33.779 3.144 1.00 40.95 ? 277 ARG A NH1 1 ATOM 3990 N NH2 . ARG A 1 265 ? -33.890 33.554 0.926 1.00 42.18 ? 277 ARG A NH2 1 ATOM 3991 H H . ARG A 1 265 ? -33.790 29.284 4.831 1.00 32.26 ? 277 ARG A H 1 ATOM 3992 H HA . ARG A 1 265 ? -31.257 28.641 4.801 1.00 33.73 ? 277 ARG A HA 1 ATOM 3993 H HB2 . ARG A 1 265 ? -32.469 31.159 5.176 1.00 35.28 ? 277 ARG A HB2 1 ATOM 3994 H HB3 . ARG A 1 265 ? -30.889 31.009 5.203 1.00 35.28 ? 277 ARG A HB3 1 ATOM 3995 H HG2 . ARG A 1 265 ? -31.068 30.128 2.985 1.00 37.50 ? 277 ARG A HG2 1 ATOM 3996 H HG3 . ARG A 1 265 ? -32.568 30.657 2.997 1.00 37.50 ? 277 ARG A HG3 1 ATOM 3997 H HD2 . ARG A 1 265 ? -31.281 32.818 3.641 1.00 43.02 ? 277 ARG A HD2 1 ATOM 3998 H HD3 . ARG A 1 265 ? -30.271 32.136 2.600 1.00 43.02 ? 277 ARG A HD3 1 ATOM 3999 H HE . ARG A 1 265 ? -31.788 32.392 1.024 1.00 49.13 ? 277 ARG A HE 1 ATOM 4000 H HH11 . ARG A 1 265 ? -33.002 33.598 3.835 1.00 49.15 ? 277 ARG A HH11 1 ATOM 4001 H HH12 . ARG A 1 265 ? -34.193 34.255 3.227 1.00 49.15 ? 277 ARG A HH12 1 ATOM 4002 H HH21 . ARG A 1 265 ? -33.661 33.256 0.152 1.00 50.61 ? 277 ARG A HH21 1 ATOM 4003 H HH22 . ARG A 1 265 ? -34.590 34.048 1.006 1.00 50.61 ? 277 ARG A HH22 1 ATOM 4004 N N . ARG A 1 266 ? -32.302 29.565 7.673 1.00 30.36 ? 278 ARG A N 1 ATOM 4005 C CA . ARG A 1 266 ? -31.962 29.598 9.081 1.00 33.16 ? 278 ARG A CA 1 ATOM 4006 C C . ARG A 1 266 ? -31.703 28.190 9.585 1.00 32.82 ? 278 ARG A C 1 ATOM 4007 O O . ARG A 1 266 ? -30.819 27.977 10.421 1.00 33.55 ? 278 ARG A O 1 ATOM 4008 C CB . ARG A 1 266 ? -33.098 30.278 9.859 1.00 35.98 ? 278 ARG A CB 1 ATOM 4009 C CG . ARG A 1 266 ? -32.707 30.687 11.277 1.00 41.59 ? 278 ARG A CG 1 ATOM 4010 C CD . ARG A 1 266 ? -33.535 31.839 11.824 1.00 45.93 ? 278 ARG A CD 1 ATOM 4011 N NE . ARG A 1 266 ? -34.940 31.509 11.700 1.00 49.57 ? 278 ARG A NE 1 ATOM 4012 C CZ . ARG A 1 266 ? -35.790 32.104 10.870 1.00 51.06 ? 278 ARG A CZ 1 ATOM 4013 N NH1 . ARG A 1 266 ? -35.387 33.117 10.095 1.00 51.76 ? 278 ARG A NH1 1 ATOM 4014 N NH2 . ARG A 1 266 ? -37.058 31.684 10.833 1.00 50.53 ? 278 ARG A NH2 1 ATOM 4015 H H . ARG A 1 266 ? -33.088 29.861 7.489 1.00 36.43 ? 278 ARG A H 1 ATOM 4016 H HA . ARG A 1 266 ? -31.154 30.119 9.204 1.00 39.79 ? 278 ARG A HA 1 ATOM 4017 H HB2 . ARG A 1 266 ? -33.368 31.079 9.383 1.00 43.17 ? 278 ARG A HB2 1 ATOM 4018 H HB3 . ARG A 1 266 ? -33.846 29.664 9.922 1.00 43.17 ? 278 ARG A HB3 1 ATOM 4019 H HG2 . ARG A 1 266 ? -32.828 29.927 11.867 1.00 49.90 ? 278 ARG A HG2 1 ATOM 4020 H HG3 . ARG A 1 266 ? -31.777 30.961 11.279 1.00 49.90 ? 278 ARG A HG3 1 ATOM 4021 H HD2 . ARG A 1 266 ? -33.328 31.975 12.762 1.00 55.12 ? 278 ARG A HD2 1 ATOM 4022 H HD3 . ARG A 1 266 ? -33.357 32.643 11.312 1.00 55.12 ? 278 ARG A HD3 1 ATOM 4023 H HE . ARG A 1 266 ? -35.246 30.881 12.201 1.00 59.48 ? 278 ARG A HE 1 ATOM 4024 H HH11 . ARG A 1 266 ? -34.568 33.378 10.119 1.00 62.12 ? 278 ARG A HH11 1 ATOM 4025 H HH12 . ARG A 1 266 ? -35.945 33.501 9.565 1.00 62.12 ? 278 ARG A HH12 1 ATOM 4026 H HH21 . ARG A 1 266 ? -37.312 31.038 11.341 1.00 60.64 ? 278 ARG A HH21 1 ATOM 4027 H HH22 . ARG A 1 266 ? -37.623 32.070 10.312 1.00 60.64 ? 278 ARG A HH22 1 ATOM 4028 N N . TYR A 1 267 ? -32.456 27.209 9.079 1.00 31.20 ? 279 TYR A N 1 ATOM 4029 C CA . TYR A 1 267 ? -32.332 25.843 9.560 1.00 32.31 ? 279 TYR A CA 1 ATOM 4030 C C . TYR A 1 267 ? -31.555 24.966 8.607 1.00 32.55 ? 279 TYR A C 1 ATOM 4031 O O . TYR A 1 267 ? -31.662 23.742 8.675 1.00 32.63 ? 279 TYR A O 1 ATOM 4032 C CB . TYR A 1 267 ? -33.699 25.246 9.893 1.00 32.33 ? 279 TYR A CB 1 ATOM 4033 C CG . TYR A 1 267 ? -34.204 25.759 11.190 1.00 32.87 ? 279 TYR A CG 1 ATOM 4034 C CD1 . TYR A 1 267 ? -33.732 25.230 12.381 1.00 32.65 ? 279 TYR A CD1 1 ATOM 4035 C CD2 . TYR A 1 267 ? -35.083 26.820 11.243 1.00 32.67 ? 279 TYR A CD2 1 ATOM 4036 C CE1 . TYR A 1 267 ? -34.173 25.698 13.592 1.00 33.12 ? 279 TYR A CE1 1 ATOM 4037 C CE2 . TYR A 1 267 ? -35.523 27.315 12.457 1.00 33.00 ? 279 TYR A CE2 1 ATOM 4038 C CZ . TYR A 1 267 ? -35.054 26.750 13.623 1.00 33.39 ? 279 TYR A CZ 1 ATOM 4039 O OH . TYR A 1 267 ? -35.466 27.207 14.834 1.00 36.52 ? 279 TYR A OH 1 ATOM 4040 H H . TYR A 1 267 ? -33.043 27.314 8.459 1.00 37.44 ? 279 TYR A H 1 ATOM 4041 H HA . TYR A 1 267 ? -31.828 25.867 10.389 1.00 38.77 ? 279 TYR A HA 1 ATOM 4042 H HB2 . TYR A 1 267 ? -34.333 25.489 9.200 1.00 38.79 ? 279 TYR A HB2 1 ATOM 4043 H HB3 . TYR A 1 267 ? -33.622 24.281 9.955 1.00 38.79 ? 279 TYR A HB3 1 ATOM 4044 H HD1 . TYR A 1 267 ? -33.135 24.518 12.358 1.00 39.18 ? 279 TYR A HD1 1 ATOM 4045 H HD2 . TYR A 1 267 ? -35.395 27.198 10.453 1.00 39.20 ? 279 TYR A HD2 1 ATOM 4046 H HE1 . TYR A 1 267 ? -33.855 25.326 14.383 1.00 39.75 ? 279 TYR A HE1 1 ATOM 4047 H HE2 . TYR A 1 267 ? -36.127 28.021 12.487 1.00 39.60 ? 279 TYR A HE2 1 ATOM 4048 H HH . TYR A 1 267 ? -35.107 26.760 15.448 1.00 43.82 ? 279 TYR A HH 1 ATOM 4049 N N . SER A 1 268 ? -30.714 25.562 7.771 1.00 31.59 ? 280 SER A N 1 ATOM 4050 C CA . SER A 1 268 ? -30.077 24.780 6.718 1.00 34.71 ? 280 SER A CA 1 ATOM 4051 C C . SER A 1 268 ? -29.071 23.777 7.260 1.00 37.43 ? 280 SER A C 1 ATOM 4052 O O . SER A 1 268 ? -28.658 22.870 6.525 1.00 38.22 ? 280 SER A O 1 ATOM 4053 C CB . SER A 1 268 ? -29.411 25.692 5.701 1.00 35.37 ? 280 SER A CB 1 ATOM 4054 O OG . SER A 1 268 ? -28.499 26.544 6.320 1.00 36.61 ? 280 SER A OG 1 ATOM 4055 H H . SER A 1 268 ? -30.500 26.394 7.789 1.00 37.91 ? 280 SER A H 1 ATOM 4056 H HA . SER A 1 268 ? -30.764 24.278 6.252 1.00 41.65 ? 280 SER A HA 1 ATOM 4057 H HB2 . SER A 1 268 ? -28.943 25.148 5.049 1.00 42.45 ? 280 SER A HB2 1 ATOM 4058 H HB3 . SER A 1 268 ? -30.092 26.224 5.261 1.00 42.45 ? 280 SER A HB3 1 ATOM 4059 H HG . SER A 1 268 ? -28.892 27.021 6.889 1.00 43.93 ? 280 SER A HG 1 ATOM 4060 N N . SER A 1 269 ? -28.653 23.920 8.513 1.00 37.39 ? 281 SER A N 1 ATOM 4061 C CA . SER A 1 269 ? -27.749 22.931 9.084 1.00 37.89 ? 281 SER A CA 1 ATOM 4062 C C . SER A 1 269 ? -28.480 21.704 9.610 1.00 36.16 ? 281 SER A C 1 ATOM 4063 O O . SER A 1 269 ? -27.851 20.667 9.803 1.00 38.02 ? 281 SER A O 1 ATOM 4064 C CB . SER A 1 269 ? -26.912 23.561 10.186 1.00 39.89 ? 281 SER A CB 1 ATOM 4065 O OG . SER A 1 269 ? -27.738 23.942 11.293 1.00 42.18 ? 281 SER A OG 1 ATOM 4066 H H . SER A 1 269 ? -28.871 24.564 9.040 1.00 44.86 ? 281 SER A H 1 ATOM 4067 H HA . SER A 1 269 ? -27.141 22.633 8.389 1.00 45.47 ? 281 SER A HA 1 ATOM 4068 H HB2 . SER A 1 269 ? -26.253 22.917 10.490 1.00 47.87 ? 281 SER A HB2 1 ATOM 4069 H HB3 . SER A 1 269 ? -26.468 24.349 9.836 1.00 47.87 ? 281 SER A HB3 1 ATOM 4070 H HG . SER A 1 269 ? -28.314 24.500 11.042 1.00 50.61 ? 281 SER A HG 1 ATOM 4071 N N . VAL A 1 270 ? -29.786 21.796 9.824 1.00 32.69 ? 282 VAL A N 1 ATOM 4072 C CA . VAL A 1 270 ? -30.583 20.647 10.230 1.00 30.42 ? 282 VAL A CA 1 ATOM 4073 C C . VAL A 1 270 ? -31.194 19.959 9.015 1.00 28.39 ? 282 VAL A C 1 ATOM 4074 O O . VAL A 1 270 ? -31.445 18.754 9.040 1.00 28.14 ? 282 VAL A O 1 ATOM 4075 C CB . VAL A 1 270 ? -31.681 21.171 11.166 1.00 31.43 ? 282 VAL A CB 1 ATOM 4076 C CG1 . VAL A 1 270 ? -32.744 20.125 11.463 1.00 32.26 ? 282 VAL A CG1 1 ATOM 4077 C CG2 . VAL A 1 270 ? -31.049 21.671 12.480 1.00 32.27 ? 282 VAL A CG2 1 ATOM 4078 H H . VAL A 1 270 ? -30.240 22.522 9.740 1.00 39.22 ? 282 VAL A H 1 ATOM 4079 H HA . VAL A 1 270 ? -30.031 20.011 10.712 1.00 36.51 ? 282 VAL A HA 1 ATOM 4080 H HB . VAL A 1 270 ? -32.118 21.925 10.742 1.00 37.72 ? 282 VAL A HB 1 ATOM 4081 H HG11 . VAL A 1 270 ? -33.408 20.510 12.056 1.00 38.71 ? 282 VAL A HG11 1 ATOM 4082 H HG12 . VAL A 1 270 ? -33.161 19.854 10.630 1.00 38.71 ? 282 VAL A HG12 1 ATOM 4083 H HG13 . VAL A 1 270 ? -32.325 19.360 11.887 1.00 38.71 ? 282 VAL A HG13 1 ATOM 4084 H HG21 . VAL A 1 270 ? -31.751 22.000 13.063 1.00 38.72 ? 282 VAL A HG21 1 ATOM 4085 H HG22 . VAL A 1 270 ? -30.582 20.935 12.906 1.00 38.72 ? 282 VAL A HG22 1 ATOM 4086 H HG23 . VAL A 1 270 ? -30.425 22.386 12.277 1.00 38.72 ? 282 VAL A HG23 1 ATOM 4087 N N . ILE A 1 271 ? -31.439 20.700 7.952 1.00 26.93 ? 283 ILE A N 1 ATOM 4088 C CA . ILE A 1 271 ? -32.105 20.150 6.773 1.00 25.98 ? 283 ILE A CA 1 ATOM 4089 C C . ILE A 1 271 ? -31.043 19.577 5.851 1.00 26.15 ? 283 ILE A C 1 ATOM 4090 O O . ILE A 1 271 ? -30.205 20.308 5.322 1.00 25.80 ? 283 ILE A O 1 ATOM 4091 C CB . ILE A 1 271 ? -32.934 21.212 6.049 1.00 25.49 ? 283 ILE A CB 1 ATOM 4092 C CG1 . ILE A 1 271 ? -34.043 21.762 6.968 1.00 25.45 ? 283 ILE A CG1 1 ATOM 4093 C CG2 . ILE A 1 271 ? -33.539 20.635 4.797 1.00 25.43 ? 283 ILE A CG2 1 ATOM 4094 C CD1 . ILE A 1 271 ? -34.690 23.024 6.389 1.00 26.81 ? 283 ILE A CD1 1 ATOM 4095 H H . ILE A 1 271 ? -31.230 21.531 7.880 1.00 32.32 ? 283 ILE A H 1 ATOM 4096 H HA . ILE A 1 271 ? -32.697 19.431 7.043 1.00 31.18 ? 283 ILE A HA 1 ATOM 4097 H HB . ILE A 1 271 ? -32.348 21.944 5.800 1.00 30.59 ? 283 ILE A HB 1 ATOM 4098 H HG12 . ILE A 1 271 ? -34.733 21.089 7.074 1.00 30.54 ? 283 ILE A HG12 1 ATOM 4099 H HG13 . ILE A 1 271 ? -33.660 21.987 7.831 1.00 30.54 ? 283 ILE A HG13 1 ATOM 4100 H HG21 . ILE A 1 271 ? -34.060 21.323 4.353 1.00 30.51 ? 283 ILE A HG21 1 ATOM 4101 H HG22 . ILE A 1 271 ? -32.826 20.331 4.214 1.00 30.51 ? 283 ILE A HG22 1 ATOM 4102 H HG23 . ILE A 1 271 ? -34.111 19.890 5.038 1.00 30.51 ? 283 ILE A HG23 1 ATOM 4103 H HD11 . ILE A 1 271 ? -35.379 23.334 6.998 1.00 32.18 ? 283 ILE A HD11 1 ATOM 4104 H HD12 . ILE A 1 271 ? -34.010 23.708 6.283 1.00 32.18 ? 283 ILE A HD12 1 ATOM 4105 H HD13 . ILE A 1 271 ? -35.081 22.811 5.527 1.00 32.18 ? 283 ILE A HD13 1 ATOM 4106 N N . ALA A 1 272 ? -31.109 18.270 5.636 1.00 25.11 ? 284 ALA A N 1 ATOM 4107 C CA . ALA A 1 272 ? -30.142 17.539 4.820 1.00 25.82 ? 284 ALA A CA 1 ATOM 4108 C C . ALA A 1 272 ? -30.631 17.291 3.404 1.00 26.56 ? 284 ALA A C 1 ATOM 4109 O O . ALA A 1 272 ? -29.876 16.765 2.576 1.00 28.03 ? 284 ALA A O 1 ATOM 4110 C CB . ALA A 1 272 ? -29.789 16.193 5.479 1.00 26.67 ? 284 ALA A CB 1 ATOM 4111 H H . ALA A 1 272 ? -31.725 17.767 5.962 1.00 30.13 ? 284 ALA A H 1 ATOM 4112 H HA . ALA A 1 272 ? -29.327 18.062 4.763 1.00 30.99 ? 284 ALA A HA 1 ATOM 4113 H HB1 . ALA A 1 272 ? -29.147 15.727 4.921 1.00 32.00 ? 284 ALA A HB1 1 ATOM 4114 H HB2 . ALA A 1 272 ? -29.406 16.361 6.355 1.00 32.00 ? 284 ALA A HB2 1 ATOM 4115 H HB3 . ALA A 1 272 ? -30.597 15.664 5.567 1.00 32.00 ? 284 ALA A HB3 1 ATOM 4116 N N . GLY A 1 273 ? -31.862 17.651 3.101 1.00 26.11 ? 285 GLY A N 1 ATOM 4117 C CA . GLY A 1 273 ? -32.341 17.509 1.753 1.00 24.49 ? 285 GLY A CA 1 ATOM 4118 C C . GLY A 1 273 ? -33.708 18.120 1.590 1.00 23.86 ? 285 GLY A C 1 ATOM 4119 O O . GLY A 1 273 ? -34.467 18.207 2.554 1.00 24.13 ? 285 GLY A O 1 ATOM 4120 H H . GLY A 1 273 ? -32.433 17.978 3.655 1.00 31.33 ? 285 GLY A H 1 ATOM 4121 H HA2 . GLY A 1 273 ? -31.729 17.947 1.141 1.00 29.39 ? 285 GLY A HA2 1 ATOM 4122 H HA3 . GLY A 1 273 ? -32.391 16.568 1.522 1.00 29.39 ? 285 GLY A HA3 1 ATOM 4123 N N . GLN A 1 274 ? -34.009 18.589 0.381 1.00 23.11 ? 286 GLN A N 1 ATOM 4124 C CA . GLN A 1 274 ? -35.345 19.059 0.010 1.00 22.12 ? 286 GLN A CA 1 ATOM 4125 C C . GLN A 1 274 ? -35.737 18.409 -1.314 1.00 21.69 ? 286 GLN A C 1 ATOM 4126 O O . GLN A 1 274 ? -34.947 18.403 -2.267 1.00 21.68 ? 286 GLN A O 1 ATOM 4127 C CB . GLN A 1 274 ? -35.368 20.566 -0.197 1.00 22.88 ? 286 GLN A CB 1 ATOM 4128 C CG . GLN A 1 274 ? -35.082 21.448 1.016 1.00 23.66 ? 286 GLN A CG 1 ATOM 4129 C CD . GLN A 1 274 ? -35.164 22.908 0.706 1.00 23.81 ? 286 GLN A CD 1 ATOM 4130 O OE1 . GLN A 1 274 ? -36.083 23.383 0.034 1.00 23.44 ? 286 GLN A OE1 1 ATOM 4131 N NE2 . GLN A 1 274 ? -34.214 23.663 1.255 1.00 24.06 ? 286 GLN A NE2 1 ATOM 4132 H H . GLN A 1 274 ? -33.440 18.647 -0.261 1.00 27.74 ? 286 GLN A H 1 ATOM 4133 H HA . GLN A 1 274 ? -35.991 18.817 0.692 1.00 26.55 ? 286 GLN A HA 1 ATOM 4134 H HB2 . GLN A 1 274 ? -34.707 20.787 -0.871 1.00 27.46 ? 286 GLN A HB2 1 ATOM 4135 H HB3 . GLN A 1 274 ? -36.248 20.810 -0.524 1.00 27.46 ? 286 GLN A HB3 1 ATOM 4136 H HG2 . GLN A 1 274 ? -35.732 21.252 1.709 1.00 28.40 ? 286 GLN A HG2 1 ATOM 4137 H HG3 . GLN A 1 274 ? -34.187 21.260 1.338 1.00 28.40 ? 286 GLN A HG3 1 ATOM 4138 H HE21 . GLN A 1 274 ? -33.609 23.302 1.748 1.00 28.87 ? 286 GLN A HE21 1 ATOM 4139 H HE22 . GLN A 1 274 ? -34.205 24.512 1.115 1.00 28.87 ? 286 GLN A HE22 1 ATOM 4140 N N . PHE A 1 275 ? -36.951 17.869 -1.377 1.00 21.37 ? 287 PHE A N 1 ATOM 4141 C CA . PHE A 1 275 ? -37.389 17.019 -2.491 1.00 21.09 ? 287 PHE A CA 1 ATOM 4142 C C . PHE A 1 275 ? -38.803 17.425 -2.909 1.00 21.92 ? 287 PHE A C 1 ATOM 4143 O O . PHE A 1 275 ? -39.715 17.449 -2.074 1.00 22.94 ? 287 PHE A O 1 ATOM 4144 C CB . PHE A 1 275 ? -37.384 15.554 -2.051 1.00 22.35 ? 287 PHE A CB 1 ATOM 4145 C CG . PHE A 1 275 ? -36.100 15.143 -1.455 1.00 22.16 ? 287 PHE A CG 1 ATOM 4146 C CD1 . PHE A 1 275 ? -35.898 15.248 -0.090 1.00 23.79 ? 287 PHE A CD1 1 ATOM 4147 C CD2 . PHE A 1 275 ? -35.063 14.701 -2.250 1.00 22.70 ? 287 PHE A CD2 1 ATOM 4148 C CE1 . PHE A 1 275 ? -34.706 14.869 0.482 1.00 24.26 ? 287 PHE A CE1 1 ATOM 4149 C CE2 . PHE A 1 275 ? -33.842 14.337 -1.662 1.00 23.11 ? 287 PHE A CE2 1 ATOM 4150 C CZ . PHE A 1 275 ? -33.678 14.421 -0.294 1.00 24.00 ? 287 PHE A CZ 1 ATOM 4151 H H . PHE A 1 275 ? -37.554 17.981 -0.774 1.00 25.65 ? 287 PHE A H 1 ATOM 4152 H HA . PHE A 1 275 ? -36.791 17.126 -3.247 1.00 25.31 ? 287 PHE A HA 1 ATOM 4153 H HB2 . PHE A 1 275 ? -38.080 15.421 -1.388 1.00 26.82 ? 287 PHE A HB2 1 ATOM 4154 H HB3 . PHE A 1 275 ? -37.550 14.992 -2.824 1.00 26.82 ? 287 PHE A HB3 1 ATOM 4155 H HD1 . PHE A 1 275 ? -36.592 15.544 0.454 1.00 28.54 ? 287 PHE A HD1 1 ATOM 4156 H HD2 . PHE A 1 275 ? -35.175 14.638 -3.171 1.00 27.24 ? 287 PHE A HD2 1 ATOM 4157 H HE1 . PHE A 1 275 ? -34.593 14.937 1.402 1.00 29.11 ? 287 PHE A HE1 1 ATOM 4158 H HE2 . PHE A 1 275 ? -33.146 14.025 -2.194 1.00 27.74 ? 287 PHE A HE2 1 ATOM 4159 H HZ . PHE A 1 275 ? -32.870 14.177 0.096 1.00 28.80 ? 287 PHE A HZ 1 ATOM 4160 N N . TYR A 1 276 ? -38.992 17.765 -4.178 1.00 21.56 ? 288 TYR A N 1 ATOM 4161 C CA . TYR A 1 276 ? -40.266 18.293 -4.658 1.00 20.19 ? 288 TYR A CA 1 ATOM 4162 C C . TYR A 1 276 ? -40.663 17.620 -5.961 1.00 21.05 ? 288 TYR A C 1 ATOM 4163 O O . TYR A 1 276 ? -39.864 16.929 -6.600 1.00 22.15 ? 288 TYR A O 1 ATOM 4164 C CB . TYR A 1 276 ? -40.178 19.808 -4.875 1.00 20.21 ? 288 TYR A CB 1 ATOM 4165 C CG . TYR A 1 276 ? -39.768 20.569 -3.673 1.00 20.45 ? 288 TYR A CG 1 ATOM 4166 C CD1 . TYR A 1 276 ? -40.616 20.646 -2.567 1.00 22.81 ? 288 TYR A CD1 1 ATOM 4167 C CD2 . TYR A 1 276 ? -38.533 21.229 -3.615 1.00 20.47 ? 288 TYR A CD2 1 ATOM 4168 C CE1 . TYR A 1 276 ? -40.231 21.339 -1.426 1.00 22.49 ? 288 TYR A CE1 1 ATOM 4169 C CE2 . TYR A 1 276 ? -38.153 21.939 -2.469 1.00 20.68 ? 288 TYR A CE2 1 ATOM 4170 C CZ . TYR A 1 276 ? -39.004 21.982 -1.385 1.00 22.37 ? 288 TYR A CZ 1 ATOM 4171 O OH . TYR A 1 276 ? -38.644 22.676 -0.245 1.00 24.22 ? 288 TYR A OH 1 ATOM 4172 H H . TYR A 1 276 ? -38.391 17.699 -4.789 1.00 25.88 ? 288 TYR A H 1 ATOM 4173 H HA . TYR A 1 276 ? -40.957 18.118 -3.999 1.00 24.22 ? 288 TYR A HA 1 ATOM 4174 H HB2 . TYR A 1 276 ? -39.528 19.985 -5.572 1.00 24.25 ? 288 TYR A HB2 1 ATOM 4175 H HB3 . TYR A 1 276 ? -41.049 20.135 -5.148 1.00 24.25 ? 288 TYR A HB3 1 ATOM 4176 H HD1 . TYR A 1 276 ? -41.436 20.207 -2.585 1.00 27.37 ? 288 TYR A HD1 1 ATOM 4177 H HD2 . TYR A 1 276 ? -37.957 21.191 -4.344 1.00 24.56 ? 288 TYR A HD2 1 ATOM 4178 H HE1 . TYR A 1 276 ? -40.802 21.380 -0.693 1.00 26.99 ? 288 TYR A HE1 1 ATOM 4179 H HE2 . TYR A 1 276 ? -37.329 22.369 -2.436 1.00 24.82 ? 288 TYR A HE2 1 ATOM 4180 H HH . TYR A 1 276 ? -37.883 23.019 -0.345 1.00 29.06 ? 288 TYR A HH 1 ATOM 4181 N N . GLY A 1 277 ? -41.914 17.858 -6.352 1.00 21.15 ? 289 GLY A N 1 ATOM 4182 C CA . GLY A 1 277 ? -42.445 17.423 -7.640 1.00 20.65 ? 289 GLY A CA 1 ATOM 4183 C C . GLY A 1 277 ? -43.081 18.585 -8.388 1.00 21.45 ? 289 GLY A C 1 ATOM 4184 O O . GLY A 1 277 ? -42.485 19.669 -8.485 1.00 22.35 ? 289 GLY A O 1 ATOM 4185 H H . GLY A 1 277 ? -42.489 18.282 -5.874 1.00 25.38 ? 289 GLY A H 1 ATOM 4186 H HA2 . GLY A 1 277 ? -41.730 17.056 -8.183 1.00 24.78 ? 289 GLY A HA2 1 ATOM 4187 H HA3 . GLY A 1 277 ? -43.116 16.736 -7.503 1.00 24.78 ? 289 GLY A HA3 1 ATOM 4188 N N . HIS A 1 278 ? -44.290 18.353 -8.909 1.00 22.02 ? 290 HIS A N 1 ATOM 4189 C CA . HIS A 1 278 ? -45.166 19.338 -9.542 1.00 21.14 ? 290 HIS A CA 1 ATOM 4190 C C . HIS A 1 278 ? -44.751 19.815 -10.929 1.00 21.56 ? 290 HIS A C 1 ATOM 4191 O O . HIS A 1 278 ? -45.609 19.966 -11.805 1.00 22.54 ? 290 HIS A O 1 ATOM 4192 C CB . HIS A 1 278 ? -45.366 20.534 -8.618 1.00 21.82 ? 290 HIS A CB 1 ATOM 4193 C CG . HIS A 1 278 ? -46.259 21.592 -9.172 1.00 22.96 ? 290 HIS A CG 1 ATOM 4194 N ND1 . HIS A 1 278 ? -47.614 21.413 -9.353 1.00 24.85 ? 290 HIS A ND1 1 ATOM 4195 C CD2 . HIS A 1 278 ? -45.983 22.850 -9.591 1.00 24.80 ? 290 HIS A CD2 1 ATOM 4196 C CE1 . HIS A 1 278 ? -48.126 22.509 -9.887 1.00 25.56 ? 290 HIS A CE1 1 ATOM 4197 N NE2 . HIS A 1 278 ? -47.160 23.407 -10.011 1.00 26.80 ? 290 HIS A NE2 1 ATOM 4198 H H . HIS A 1 278 ? -44.646 17.570 -8.903 1.00 26.42 ? 290 HIS A H 1 ATOM 4199 H HA . HIS A 1 278 ? -46.037 18.924 -9.647 1.00 25.37 ? 290 HIS A HA 1 ATOM 4200 H HB2 . HIS A 1 278 ? -45.757 20.223 -7.786 1.00 26.18 ? 290 HIS A HB2 1 ATOM 4201 H HB3 . HIS A 1 278 ? -44.502 20.939 -8.442 1.00 26.18 ? 290 HIS A HB3 1 ATOM 4202 H HD2 . HIS A 1 278 ? -45.150 23.262 -9.584 1.00 29.76 ? 290 HIS A HD2 1 ATOM 4203 H HE1 . HIS A 1 278 ? -49.022 22.644 -10.093 1.00 30.67 ? 290 HIS A HE1 1 ATOM 4204 H HE2 . HIS A 1 278 ? -47.252 24.200 -10.331 1.00 32.16 ? 290 HIS A HE2 1 ATOM 4205 N N . THR A 1 279 ? -43.463 20.091 -11.146 1.00 21.22 ? 291 THR A N 1 ATOM 4206 C CA . THR A 1 279 ? -43.051 20.635 -12.435 1.00 22.37 ? 291 THR A CA 1 ATOM 4207 C C . THR A 1 279 ? -42.993 19.597 -13.535 1.00 22.43 ? 291 THR A C 1 ATOM 4208 O O . THR A 1 279 ? -42.977 19.977 -14.726 1.00 21.83 ? 291 THR A O 1 ATOM 4209 C CB . THR A 1 279 ? -41.700 21.333 -12.341 1.00 22.74 ? 291 THR A CB 1 ATOM 4210 O OG1 . THR A 1 279 ? -40.689 20.351 -12.189 1.00 23.87 ? 291 THR A OG1 1 ATOM 4211 C CG2 . THR A 1 279 ? -41.671 22.351 -11.174 1.00 23.55 ? 291 THR A CG2 1 ATOM 4212 H H . THR A 1 279 ? -42.826 19.975 -10.580 1.00 25.46 ? 291 THR A H 1 ATOM 4213 H HA . THR A 1 279 ? -43.702 21.303 -12.703 1.00 26.85 ? 291 THR A HA 1 ATOM 4214 H HB . THR A 1 279 ? -41.542 21.821 -13.164 1.00 27.29 ? 291 THR A HB 1 ATOM 4215 H HG1 . THR A 1 279 ? -39.936 20.719 -12.136 1.00 28.65 ? 291 THR A HG1 1 ATOM 4216 H HG21 . THR A 1 279 ? -40.803 22.783 -11.133 1.00 28.26 ? 291 THR A HG21 1 ATOM 4217 H HG22 . THR A 1 279 ? -42.353 23.027 -11.306 1.00 28.26 ? 291 THR A HG22 1 ATOM 4218 H HG23 . THR A 1 279 ? -41.836 21.896 -10.333 1.00 28.26 ? 291 THR A HG23 1 ATOM 4219 N N . HIS A 1 280 ? -42.970 18.308 -13.178 1.00 22.37 ? 292 HIS A N 1 ATOM 4220 C CA . HIS A 1 280 ? -42.855 17.195 -14.113 1.00 23.61 ? 292 HIS A CA 1 ATOM 4221 C C . HIS A 1 280 ? -41.525 17.213 -14.874 1.00 22.23 ? 292 HIS A C 1 ATOM 4222 O O . HIS A 1 280 ? -41.407 16.601 -15.926 1.00 24.07 ? 292 HIS A O 1 ATOM 4223 C CB . HIS A 1 280 ? -44.021 17.119 -15.104 1.00 24.49 ? 292 HIS A CB 1 ATOM 4224 C CG . HIS A 1 280 ? -45.391 16.922 -14.501 1.00 23.24 ? 292 HIS A CG 1 ATOM 4225 N ND1 . HIS A 1 280 ? -46.463 16.526 -15.278 1.00 24.16 ? 292 HIS A ND1 1 ATOM 4226 C CD2 . HIS A 1 280 ? -45.870 17.054 -13.237 1.00 23.83 ? 292 HIS A CD2 1 ATOM 4227 C CE1 . HIS A 1 280 ? -47.541 16.417 -14.512 1.00 25.33 ? 292 HIS A CE1 1 ATOM 4228 N NE2 . HIS A 1 280 ? -47.205 16.725 -13.271 1.00 24.19 ? 292 HIS A NE2 1 ATOM 4229 H H . HIS A 1 280 ? -43.022 18.049 -12.360 1.00 26.84 ? 292 HIS A H 1 ATOM 4230 H HA . HIS A 1 280 ? -42.872 16.374 -13.597 1.00 28.33 ? 292 HIS A HA 1 ATOM 4231 H HB2 . HIS A 1 280 ? -44.044 17.946 -15.611 1.00 29.38 ? 292 HIS A HB2 1 ATOM 4232 H HB3 . HIS A 1 280 ? -43.861 16.376 -15.707 1.00 29.38 ? 292 HIS A HB3 1 ATOM 4233 H HD1 . HIS A 1 280 ? -46.435 16.369 -16.123 1.00 28.99 ? 292 HIS A HD1 1 ATOM 4234 H HD2 . HIS A 1 280 ? -45.383 17.305 -12.486 1.00 28.59 ? 292 HIS A HD2 1 ATOM 4235 H HE1 . HIS A 1 280 ? -48.389 16.165 -14.799 1.00 30.40 ? 292 HIS A HE1 1 ATOM 4236 N N . ARG A 1 281 ? -40.503 17.840 -14.296 1.00 23.17 ? 293 ARG A N 1 ATOM 4237 C CA . ARG A 1 281 ? -39.197 17.989 -14.909 1.00 22.97 ? 293 ARG A CA 1 ATOM 4238 C C . ARG A 1 281 ? -38.125 17.633 -13.890 1.00 22.56 ? 293 ARG A C 1 ATOM 4239 O O . ARG A 1 281 ? -38.375 17.678 -12.692 1.00 23.97 ? 293 ARG A O 1 ATOM 4240 C CB . ARG A 1 281 ? -38.966 19.428 -15.387 1.00 23.82 ? 293 ARG A CB 1 ATOM 4241 C CG . ARG A 1 281 ? -39.974 19.928 -16.418 1.00 23.03 ? 293 ARG A CG 1 ATOM 4242 C CD . ARG A 1 281 ? -39.787 19.231 -17.767 1.00 26.08 ? 293 ARG A CD 1 ATOM 4243 N NE . ARG A 1 281 ? -40.703 19.764 -18.766 1.00 28.36 ? 293 ARG A NE 1 ATOM 4244 C CZ . ARG A 1 281 ? -41.875 19.214 -19.067 1.00 29.55 ? 293 ARG A CZ 1 ATOM 4245 N NH1 . ARG A 1 281 ? -42.281 18.127 -18.437 1.00 28.84 ? 293 ARG A NH1 1 ATOM 4246 N NH2 . ARG A 1 281 ? -42.633 19.746 -20.004 1.00 31.19 ? 293 ARG A NH2 1 ATOM 4247 H H . ARG A 1 281 ? -40.550 18.199 -13.516 1.00 27.80 ? 293 ARG A H 1 ATOM 4248 H HA . ARG A 1 281 ? -39.119 17.390 -15.668 1.00 27.56 ? 293 ARG A HA 1 ATOM 4249 H HB2 . ARG A 1 281 ? -39.012 20.020 -14.621 1.00 28.58 ? 293 ARG A HB2 1 ATOM 4250 H HB3 . ARG A 1 281 ? -38.085 19.483 -15.789 1.00 28.58 ? 293 ARG A HB3 1 ATOM 4251 H HG2 . ARG A 1 281 ? -40.873 19.743 -16.102 1.00 27.64 ? 293 ARG A HG2 1 ATOM 4252 H HG3 . ARG A 1 281 ? -39.853 20.881 -16.548 1.00 27.64 ? 293 ARG A HG3 1 ATOM 4253 H HD2 . ARG A 1 281 ? -38.880 19.372 -18.079 1.00 31.30 ? 293 ARG A HD2 1 ATOM 4254 H HD3 . ARG A 1 281 ? -39.964 18.282 -17.666 1.00 31.30 ? 293 ARG A HD3 1 ATOM 4255 H HE . ARG A 1 281 ? -40.439 20.432 -19.238 1.00 34.03 ? 293 ARG A HE 1 ATOM 4256 H HH11 . ARG A 1 281 ? -41.786 17.771 -17.830 1.00 34.61 ? 293 ARG A HH11 1 ATOM 4257 H HH12 . ARG A 1 281 ? -43.041 17.774 -18.633 1.00 34.61 ? 293 ARG A HH12 1 ATOM 4258 H HH21 . ARG A 1 281 ? -42.375 20.456 -20.414 1.00 37.42 ? 293 ARG A HH21 1 ATOM 4259 H HH22 . ARG A 1 281 ? -43.396 19.394 -20.191 1.00 37.42 ? 293 ARG A HH22 1 ATOM 4260 N N . ASP A 1 282 ? -36.925 17.303 -14.384 1.00 23.02 ? 294 ASP A N 1 ATOM 4261 C CA . ASP A 1 282 ? -35.753 17.000 -13.549 1.00 24.07 ? 294 ASP A CA 1 ATOM 4262 C C . ASP A 1 282 ? -34.937 18.277 -13.405 1.00 23.65 ? 294 ASP A C 1 ATOM 4263 O O . ASP A 1 282 ? -34.262 18.703 -14.347 1.00 24.09 ? 294 ASP A O 1 ATOM 4264 C CB . ASP A 1 282 ? -34.924 15.919 -14.249 1.00 24.72 ? 294 ASP A CB 1 ATOM 4265 C CG . ASP A 1 282 ? -33.704 15.494 -13.466 1.00 24.63 ? 294 ASP A CG 1 ATOM 4266 O OD1 . ASP A 1 282 ? -33.331 16.246 -12.528 1.00 24.70 ? 294 ASP A OD1 1 ATOM 4267 O OD2 . ASP A 1 282 ? -33.110 14.425 -13.824 1.00 25.32 ? 294 ASP A OD2 1 ATOM 4268 H H . ASP A 1 282 ? -36.760 17.247 -15.226 1.00 27.63 ? 294 ASP A H 1 ATOM 4269 H HA . ASP A 1 282 ? -36.027 16.686 -12.673 1.00 28.88 ? 294 ASP A HA 1 ATOM 4270 H HB2 . ASP A 1 282 ? -35.480 15.135 -14.382 1.00 29.66 ? 294 ASP A HB2 1 ATOM 4271 H HB3 . ASP A 1 282 ? -34.624 16.260 -15.106 1.00 29.66 ? 294 ASP A HB3 1 ATOM 4272 N N . SER A 1 283 ? -35.042 18.924 -12.252 1.00 22.86 ? 295 SER A N 1 ATOM 4273 C CA . SER A 1 283 ? -34.347 20.173 -11.984 1.00 22.34 ? 295 SER A CA 1 ATOM 4274 C C . SER A 1 283 ? -33.614 20.134 -10.656 1.00 22.93 ? 295 SER A C 1 ATOM 4275 O O . SER A 1 283 ? -34.057 19.500 -9.690 1.00 23.88 ? 295 SER A O 1 ATOM 4276 C CB . SER A 1 283 ? -35.282 21.392 -11.926 1.00 23.76 ? 295 SER A CB 1 ATOM 4277 O OG . SER A 1 283 ? -35.915 21.621 -13.172 1.00 24.20 ? 295 SER A OG 1 ATOM 4278 H H . SER A 1 283 ? -35.522 18.651 -11.593 1.00 27.43 ? 295 SER A H 1 ATOM 4279 H HA . SER A 1 283 ? -33.694 20.328 -12.684 1.00 26.80 ? 295 SER A HA 1 ATOM 4280 H HB2 . SER A 1 283 ? -35.963 21.232 -11.254 1.00 28.52 ? 295 SER A HB2 1 ATOM 4281 H HB3 . SER A 1 283 ? -34.762 22.175 -11.689 1.00 28.52 ? 295 SER A HB3 1 ATOM 4282 H HG . SER A 1 283 ? -35.337 21.763 -13.765 1.00 29.03 ? 295 SER A HG 1 ATOM 4283 N N . LEU A 1 284 ? -32.509 20.858 -10.630 1.00 23.12 ? 296 LEU A N 1 ATOM 4284 C CA . LEU A 1 284 ? -31.752 21.165 -9.433 1.00 24.05 ? 296 LEU A CA 1 ATOM 4285 C C . LEU A 1 284 ? -31.943 22.620 -9.020 1.00 23.81 ? 296 LEU A C 1 ATOM 4286 O O . LEU A 1 284 ? -32.108 23.517 -9.852 1.00 25.28 ? 296 LEU A O 1 ATOM 4287 C CB . LEU A 1 284 ? -30.252 20.956 -9.686 1.00 26.41 ? 296 LEU A CB 1 ATOM 4288 C CG . LEU A 1 284 ? -29.801 19.525 -9.952 1.00 28.04 ? 296 LEU A CG 1 ATOM 4289 C CD1 . LEU A 1 284 ? -28.392 19.500 -10.553 1.00 29.64 ? 296 LEU A CD1 1 ATOM 4290 C CD2 . LEU A 1 284 ? -29.847 18.679 -8.667 1.00 28.34 ? 296 LEU A CD2 1 ATOM 4291 H H . LEU A 1 284 ? -32.160 21.200 -11.337 1.00 27.75 ? 296 LEU A H 1 ATOM 4292 H HA . LEU A 1 284 ? -32.034 20.590 -8.704 1.00 28.86 ? 296 LEU A HA 1 ATOM 4293 H HB2 . LEU A 1 284 ? -29.998 21.486 -10.458 1.00 31.69 ? 296 LEU A HB2 1 ATOM 4294 H HB3 . LEU A 1 284 ? -29.766 21.270 -8.907 1.00 31.69 ? 296 LEU A HB3 1 ATOM 4295 H HG . LEU A 1 284 ? -30.405 19.121 -10.595 1.00 33.65 ? 296 LEU A HG 1 ATOM 4296 H HD11 . LEU A 1 284 ? -28.133 18.579 -10.711 1.00 35.57 ? 296 LEU A HD11 1 ATOM 4297 H HD12 . LEU A 1 284 ? -28.397 19.991 -11.389 1.00 35.57 ? 296 LEU A HD12 1 ATOM 4298 H HD13 . LEU A 1 284 ? -27.776 19.915 -9.928 1.00 35.57 ? 296 LEU A HD13 1 ATOM 4299 H HD21 . LEU A 1 284 ? -29.555 17.777 -8.872 1.00 34.01 ? 296 LEU A HD21 1 ATOM 4300 H HD22 . LEU A 1 284 ? -29.257 19.076 -8.007 1.00 34.01 ? 296 LEU A HD22 1 ATOM 4301 H HD23 . LEU A 1 284 ? -30.757 18.664 -8.331 1.00 34.01 ? 296 LEU A HD23 1 ATOM 4302 N N . MET A 1 285 ? -31.814 22.850 -7.723 1.00 23.16 ? 297 MET A N 1 ATOM 4303 C CA . MET A 1 285 ? -31.684 24.189 -7.183 1.00 23.02 ? 297 MET A CA 1 ATOM 4304 C C . MET A 1 285 ? -30.680 24.151 -6.037 1.00 24.65 ? 297 MET A C 1 ATOM 4305 O O . MET A 1 285 ? -30.547 23.142 -5.342 1.00 25.60 ? 297 MET A O 1 ATOM 4306 C CB . MET A 1 285 ? -33.030 24.739 -6.662 1.00 22.91 ? 297 MET A CB 1 ATOM 4307 C CG . MET A 1 285 ? -33.860 25.386 -7.742 1.00 22.87 ? 297 MET A CG 1 ATOM 4308 S SD . MET A 1 285 ? -35.505 25.943 -7.193 1.00 25.21 ? 297 MET A SD 1 ATOM 4309 C CE . MET A 1 285 ? -36.357 24.408 -7.056 1.00 23.23 ? 297 MET A CE 1 ATOM 4310 H H . MET A 1 285 ? -31.799 22.232 -7.124 1.00 27.79 ? 297 MET A H 1 ATOM 4311 H HA . MET A 1 285 ? -31.358 24.784 -7.876 1.00 27.62 ? 297 MET A HA 1 ATOM 4312 H HB2 . MET A 1 285 ? -33.545 24.008 -6.287 1.00 27.49 ? 297 MET A HB2 1 ATOM 4313 H HB3 . MET A 1 285 ? -32.855 25.406 -5.980 1.00 27.49 ? 297 MET A HB3 1 ATOM 4314 H HG2 . MET A 1 285 ? -33.383 26.161 -8.078 1.00 27.44 ? 297 MET A HG2 1 ATOM 4315 H HG3 . MET A 1 285 ? -33.989 24.746 -8.460 1.00 27.44 ? 297 MET A HG3 1 ATOM 4316 H HE1 . MET A 1 285 ? -37.267 24.578 -6.764 1.00 27.88 ? 297 MET A HE1 1 ATOM 4317 H HE2 . MET A 1 285 ? -36.364 23.972 -7.923 1.00 27.88 ? 297 MET A HE2 1 ATOM 4318 H HE3 . MET A 1 285 ? -35.900 23.850 -6.408 1.00 27.88 ? 297 MET A HE3 1 ATOM 4319 N N . VAL A 1 286 ? -29.981 25.259 -5.829 1.00 25.21 ? 298 VAL A N 1 ATOM 4320 C CA . VAL A 1 286 ? -29.072 25.385 -4.701 1.00 27.07 ? 298 VAL A CA 1 ATOM 4321 C C . VAL A 1 286 ? -29.507 26.623 -3.929 1.00 26.74 ? 298 VAL A C 1 ATOM 4322 O O . VAL A 1 286 ? -29.388 27.746 -4.428 1.00 26.46 ? 298 VAL A O 1 ATOM 4323 C CB . VAL A 1 286 ? -27.597 25.480 -5.144 1.00 29.70 ? 298 VAL A CB 1 ATOM 4324 C CG1 . VAL A 1 286 ? -26.676 25.592 -3.927 1.00 29.65 ? 298 VAL A CG1 1 ATOM 4325 C CG2 . VAL A 1 286 ? -27.178 24.277 -6.007 1.00 31.73 ? 298 VAL A CG2 1 ATOM 4326 H H . VAL A 1 286 ? -30.015 25.956 -6.331 1.00 30.25 ? 298 VAL A H 1 ATOM 4327 H HA . VAL A 1 286 ? -29.168 24.613 -4.122 1.00 32.48 ? 298 VAL A HA 1 ATOM 4328 H HB . VAL A 1 286 ? -27.482 26.282 -5.677 1.00 35.63 ? 298 VAL A HB 1 ATOM 4329 H HG11 . VAL A 1 286 ? -25.757 25.651 -4.232 1.00 35.57 ? 298 VAL A HG11 1 ATOM 4330 H HG12 . VAL A 1 286 ? -26.911 26.390 -3.427 1.00 35.57 ? 298 VAL A HG12 1 ATOM 4331 H HG13 . VAL A 1 286 ? -26.792 24.806 -3.371 1.00 35.57 ? 298 VAL A HG13 1 ATOM 4332 H HG21 . VAL A 1 286 ? -26.247 24.380 -6.261 1.00 38.07 ? 298 VAL A HG21 1 ATOM 4333 H HG22 . VAL A 1 286 ? -27.293 23.464 -5.492 1.00 38.07 ? 298 VAL A HG22 1 ATOM 4334 H HG23 . VAL A 1 286 ? -27.736 24.249 -6.800 1.00 38.07 ? 298 VAL A HG23 1 ATOM 4335 N N . LEU A 1 287 ? -30.019 26.427 -2.718 1.00 26.62 ? 299 LEU A N 1 ATOM 4336 C CA . LEU A 1 287 ? -30.415 27.533 -1.876 1.00 27.01 ? 299 LEU A CA 1 ATOM 4337 C C . LEU A 1 287 ? -29.155 28.124 -1.268 1.00 26.68 ? 299 LEU A C 1 ATOM 4338 O O . LEU A 1 287 ? -28.409 27.429 -0.565 1.00 27.89 ? 299 LEU A O 1 ATOM 4339 C CB . LEU A 1 287 ? -31.351 27.029 -0.778 1.00 27.35 ? 299 LEU A CB 1 ATOM 4340 C CG . LEU A 1 287 ? -31.736 28.091 0.262 1.00 27.93 ? 299 LEU A CG 1 ATOM 4341 C CD1 . LEU A 1 287 ? -32.351 29.338 -0.393 1.00 28.06 ? 299 LEU A CD1 1 ATOM 4342 C CD2 . LEU A 1 287 ? -32.656 27.489 1.261 1.00 29.06 ? 299 LEU A CD2 1 ATOM 4343 H H . LEU A 1 287 ? -30.145 25.654 -2.364 1.00 31.94 ? 299 LEU A H 1 ATOM 4344 H HA . LEU A 1 287 ? -30.869 28.212 -2.400 1.00 32.41 ? 299 LEU A HA 1 ATOM 4345 H HB2 . LEU A 1 287 ? -32.169 26.709 -1.189 1.00 32.82 ? 299 LEU A HB2 1 ATOM 4346 H HB3 . LEU A 1 287 ? -30.915 26.301 -0.308 1.00 32.82 ? 299 LEU A HB3 1 ATOM 4347 H HG . LEU A 1 287 ? -30.935 28.370 0.731 1.00 33.52 ? 299 LEU A HG 1 ATOM 4348 H HD11 . LEU A 1 287 ? -32.578 29.978 0.299 1.00 33.67 ? 299 LEU A HD11 1 ATOM 4349 H HD12 . LEU A 1 287 ? -31.704 29.725 -1.004 1.00 33.67 ? 299 LEU A HD12 1 ATOM 4350 H HD13 . LEU A 1 287 ? -33.150 29.077 -0.879 1.00 33.67 ? 299 LEU A HD13 1 ATOM 4351 H HD21 . LEU A 1 287 ? -32.896 28.164 1.915 1.00 34.87 ? 299 LEU A HD21 1 ATOM 4352 H HD22 . LEU A 1 287 ? -33.451 27.171 0.806 1.00 34.87 ? 299 LEU A HD22 1 ATOM 4353 H HD23 . LEU A 1 287 ? -32.206 26.749 1.698 1.00 34.87 ? 299 LEU A HD23 1 ATOM 4354 N N . SER A 1 288 ? -28.921 29.396 -1.527 1.00 28.34 ? 300 SER A N 1 ATOM 4355 C CA . SER A 1 288 ? -27.807 30.120 -0.936 1.00 30.55 ? 300 SER A CA 1 ATOM 4356 C C . SER A 1 288 ? -28.297 31.331 -0.163 1.00 32.20 ? 300 SER A C 1 ATOM 4357 O O . SER A 1 288 ? -29.449 31.755 -0.276 1.00 32.67 ? 300 SER A O 1 ATOM 4358 C CB . SER A 1 288 ? -26.823 30.585 -2.006 1.00 32.84 ? 300 SER A CB 1 ATOM 4359 O OG . SER A 1 288 ? -26.188 29.474 -2.599 1.00 34.79 ? 300 SER A OG 1 ATOM 4360 H H . SER A 1 288 ? -29.403 29.875 -2.054 1.00 34.01 ? 300 SER A H 1 ATOM 4361 H HA . SER A 1 288 ? -27.335 29.536 -0.321 1.00 36.66 ? 300 SER A HA 1 ATOM 4362 H HB2 . SER A 1 288 ? -27.306 31.078 -2.688 1.00 39.41 ? 300 SER A HB2 1 ATOM 4363 H HB3 . SER A 1 288 ? -26.153 31.153 -1.596 1.00 39.41 ? 300 SER A HB3 1 ATOM 4364 H HG . SER A 1 288 ? -26.760 28.972 -2.956 1.00 41.74 ? 300 SER A HG 1 ATOM 4365 N N . ASP A 1 289 ? -27.383 31.889 0.631 1.00 32.70 ? 301 ASP A N 1 ATOM 4366 C CA . ASP A 1 289 ? -27.672 33.107 1.369 1.00 35.63 ? 301 ASP A CA 1 ATOM 4367 C C . ASP A 1 289 ? -27.473 34.295 0.429 1.00 38.32 ? 301 ASP A C 1 ATOM 4368 O O . ASP A 1 289 ? -27.132 34.125 -0.740 1.00 37.81 ? 301 ASP A O 1 ATOM 4369 C CB . ASP A 1 289 ? -26.887 33.155 2.688 1.00 37.07 ? 301 ASP A CB 1 ATOM 4370 C CG . ASP A 1 289 ? -25.427 33.487 2.525 1.00 38.52 ? 301 ASP A CG 1 ATOM 4371 O OD1 . ASP A 1 289 ? -24.969 33.792 1.411 1.00 37.73 ? 301 ASP A OD1 1 ATOM 4372 O OD2 . ASP A 1 289 ? -24.720 33.478 3.578 1.00 40.19 ? 301 ASP A OD2 1 ATOM 4373 H H . ASP A 1 289 ? -26.591 31.580 0.756 1.00 39.24 ? 301 ASP A H 1 ATOM 4374 H HA . ASP A 1 289 ? -28.613 33.094 1.607 1.00 42.75 ? 301 ASP A HA 1 ATOM 4375 H HB2 . ASP A 1 289 ? -27.281 33.831 3.261 1.00 44.48 ? 301 ASP A HB2 1 ATOM 4376 H HB3 . ASP A 1 289 ? -26.946 32.287 3.117 1.00 44.48 ? 301 ASP A HB3 1 ATOM 4377 N N . LYS A 1 290 ? -27.707 35.508 0.934 1.00 41.15 ? 302 LYS A N 1 ATOM 4378 C CA . LYS A 1 290 ? -27.654 36.704 0.098 1.00 44.14 ? 302 LYS A CA 1 ATOM 4379 C C . LYS A 1 290 ? -26.262 36.967 -0.462 1.00 43.34 ? 302 LYS A C 1 ATOM 4380 O O . LYS A 1 290 ? -26.133 37.656 -1.475 1.00 41.93 ? 302 LYS A O 1 ATOM 4381 C CB . LYS A 1 290 ? -28.086 37.920 0.922 1.00 47.52 ? 302 LYS A CB 1 ATOM 4382 C CG . LYS A 1 290 ? -27.134 38.240 2.084 1.00 51.30 ? 302 LYS A CG 1 ATOM 4383 C CD . LYS A 1 290 ? -27.658 39.372 2.985 1.00 54.02 ? 302 LYS A CD 1 ATOM 4384 C CE . LYS A 1 290 ? -26.655 39.712 4.099 1.00 55.37 ? 302 LYS A CE 1 ATOM 4385 N NZ . LYS A 1 290 ? -27.273 40.492 5.246 1.00 56.91 ? 302 LYS A NZ 1 ATOM 4386 H H . LYS A 1 290 ? -27.898 35.663 1.758 1.00 49.38 ? 302 LYS A H 1 ATOM 4387 H HA . LYS A 1 290 ? -28.269 36.604 -0.646 1.00 52.96 ? 302 LYS A HA 1 ATOM 4388 H HB2 . LYS A 1 290 ? -28.119 38.696 0.342 1.00 57.02 ? 302 LYS A HB2 1 ATOM 4389 H HB3 . LYS A 1 290 ? -28.965 37.749 1.295 1.00 57.02 ? 302 LYS A HB3 1 ATOM 4390 H HG2 . LYS A 1 290 ? -27.026 37.447 2.632 1.00 61.55 ? 302 LYS A HG2 1 ATOM 4391 H HG3 . LYS A 1 290 ? -26.277 38.515 1.724 1.00 61.55 ? 302 LYS A HG3 1 ATOM 4392 H HD2 . LYS A 1 290 ? -27.799 40.168 2.449 1.00 64.83 ? 302 LYS A HD2 1 ATOM 4393 H HD3 . LYS A 1 290 ? -28.490 39.093 3.398 1.00 64.83 ? 302 LYS A HD3 1 ATOM 4394 H HE2 . LYS A 1 290 ? -26.295 38.887 4.461 1.00 66.44 ? 302 LYS A HE2 1 ATOM 4395 H HE3 . LYS A 1 290 ? -25.939 40.249 3.725 1.00 66.44 ? 302 LYS A HE3 1 ATOM 4396 H HZ1 . LYS A 1 290 ? -26.656 40.665 5.863 1.00 68.29 ? 302 LYS A HZ1 1 ATOM 4397 H HZ2 . LYS A 1 290 ? -27.604 41.262 4.945 1.00 68.29 ? 302 LYS A HZ2 1 ATOM 4398 H HZ3 . LYS A 1 290 ? -27.929 40.019 5.616 1.00 68.29 ? 302 LYS A HZ3 1 ATOM 4399 N N . ASN A 1 291 ? -25.217 36.465 0.191 1.00 43.66 ? 303 ASN A N 1 ATOM 4400 C CA . ASN A 1 291 ? -23.852 36.659 -0.266 1.00 44.88 ? 303 ASN A CA 1 ATOM 4401 C C . ASN A 1 291 ? -23.317 35.465 -1.048 1.00 44.88 ? 303 ASN A C 1 ATOM 4402 O O . ASN A 1 291 ? -22.113 35.399 -1.314 1.00 45.28 ? 303 ASN A O 1 ATOM 4403 C CB . ASN A 1 291 ? -22.963 36.987 0.930 1.00 47.16 ? 303 ASN A CB 1 ATOM 4404 C CG . ASN A 1 291 ? -23.217 38.370 1.462 1.00 48.13 ? 303 ASN A CG 1 ATOM 4405 O OD1 . ASN A 1 291 ? -23.516 39.287 0.703 1.00 48.15 ? 303 ASN A OD1 1 ATOM 4406 N ND2 . ASN A 1 291 ? -23.098 38.533 2.767 1.00 49.45 ? 303 ASN A ND2 1 ATOM 4407 H H . ASN A 1 291 ? -25.278 36.001 0.913 1.00 52.39 ? 303 ASN A H 1 ATOM 4408 H HA . ASN A 1 291 ? -23.835 37.425 -0.860 1.00 53.85 ? 303 ASN A HA 1 ATOM 4409 H HB2 . ASN A 1 291 ? -23.140 36.352 1.642 1.00 56.59 ? 303 ASN A HB2 1 ATOM 4410 H HB3 . ASN A 1 291 ? -22.033 36.934 0.660 1.00 56.59 ? 303 ASN A HB3 1 ATOM 4411 H HD21 . ASN A 1 291 ? -23.234 39.307 3.118 1.00 59.34 ? 303 ASN A HD21 1 ATOM 4412 H HD22 . ASN A 1 291 ? -22.885 37.866 3.266 1.00 59.34 ? 303 ASN A HD22 1 ATOM 4413 N N . GLY A 1 292 ? -24.191 34.537 -1.437 1.00 44.62 ? 304 GLY A N 1 ATOM 4414 C CA . GLY A 1 292 ? -23.819 33.429 -2.295 1.00 42.64 ? 304 GLY A CA 1 ATOM 4415 C C . GLY A 1 292 ? -23.052 32.328 -1.606 1.00 41.26 ? 304 GLY A C 1 ATOM 4416 O O . GLY A 1 292 ? -22.205 31.680 -2.232 1.00 45.10 ? 304 GLY A O 1 ATOM 4417 H H . GLY A 1 292 ? -25.020 34.532 -1.210 1.00 53.54 ? 304 GLY A H 1 ATOM 4418 H HA2 . GLY A 1 292 ? -24.622 33.041 -2.675 1.00 51.16 ? 304 GLY A HA2 1 ATOM 4419 H HA3 . GLY A 1 292 ? -23.273 33.764 -3.023 1.00 51.16 ? 304 GLY A HA3 1 ATOM 4420 N N . ASN A 1 293 ? -23.270 32.132 -0.326 1.00 36.47 ? 305 ASN A N 1 ATOM 4421 C CA . ASN A 1 293 ? -22.751 30.958 0.346 1.00 35.45 ? 305 ASN A CA 1 ATOM 4422 C C . ASN A 1 293 ? -23.783 29.842 0.220 1.00 33.61 ? 305 ASN A C 1 ATOM 4423 O O . ASN A 1 293 ? -24.934 30.030 0.643 1.00 33.98 ? 305 ASN A O 1 ATOM 4424 C CB . ASN A 1 293 ? -22.482 31.269 1.805 1.00 37.95 ? 305 ASN A CB 1 ATOM 4425 C CG . ASN A 1 293 ? -21.369 32.291 1.979 1.00 41.73 ? 305 ASN A CG 1 ATOM 4426 O OD1 . ASN A 1 293 ? -20.199 32.014 1.672 1.00 42.58 ? 305 ASN A OD1 1 ATOM 4427 N ND2 . ASN A 1 293 ? -21.718 33.473 2.497 1.00 43.40 ? 305 ASN A ND2 1 ATOM 4428 H H . ASN A 1 293 ? -23.717 32.664 0.181 1.00 43.77 ? 305 ASN A H 1 ATOM 4429 H HA . ASN A 1 293 ? -21.924 30.673 -0.074 1.00 42.55 ? 305 ASN A HA 1 ATOM 4430 H HB2 . ASN A 1 293 ? -23.288 31.628 2.207 1.00 45.54 ? 305 ASN A HB2 1 ATOM 4431 H HB3 . ASN A 1 293 ? -22.217 30.454 2.260 1.00 45.54 ? 305 ASN A HB3 1 ATOM 4432 H HD21 . ASN A 1 293 ? -21.124 34.084 2.615 1.00 52.08 ? 305 ASN A HD21 1 ATOM 4433 H HD22 . ASN A 1 293 ? -22.537 33.623 2.712 1.00 52.08 ? 305 ASN A HD22 1 ATOM 4434 N N . PRO A 1 294 ? -23.445 28.704 -0.378 1.00 32.13 ? 306 PRO A N 1 ATOM 4435 C CA . PRO A 1 294 ? -24.451 27.657 -0.598 1.00 30.01 ? 306 PRO A CA 1 ATOM 4436 C C . PRO A 1 294 ? -24.794 26.955 0.703 1.00 30.11 ? 306 PRO A C 1 ATOM 4437 O O . PRO A 1 294 ? -23.911 26.625 1.503 1.00 31.70 ? 306 PRO A O 1 ATOM 4438 C CB . PRO A 1 294 ? -23.770 26.712 -1.599 1.00 31.29 ? 306 PRO A CB 1 ATOM 4439 C CG . PRO A 1 294 ? -22.305 26.931 -1.363 1.00 32.46 ? 306 PRO A CG 1 ATOM 4440 C CD . PRO A 1 294 ? -22.135 28.346 -0.937 1.00 32.64 ? 306 PRO A CD 1 ATOM 4441 H HA . PRO A 1 294 ? -25.254 28.029 -0.994 1.00 36.01 ? 306 PRO A HA 1 ATOM 4442 H HB2 . PRO A 1 294 ? -24.018 25.794 -1.408 1.00 37.55 ? 306 PRO A HB2 1 ATOM 4443 H HB3 . PRO A 1 294 ? -24.015 26.957 -2.504 1.00 37.55 ? 306 PRO A HB3 1 ATOM 4444 H HG2 . PRO A 1 294 ? -21.998 26.330 -0.666 1.00 38.95 ? 306 PRO A HG2 1 ATOM 4445 H HG3 . PRO A 1 294 ? -21.819 26.767 -2.187 1.00 38.95 ? 306 PRO A HG3 1 ATOM 4446 H HD2 . PRO A 1 294 ? -21.448 28.412 -0.255 1.00 39.17 ? 306 PRO A HD2 1 ATOM 4447 H HD3 . PRO A 1 294 ? -21.930 28.906 -1.702 1.00 39.17 ? 306 PRO A HD3 1 ATOM 4448 N N . LEU A 1 295 ? -26.090 26.759 0.915 1.00 27.26 ? 307 LEU A N 1 ATOM 4449 C CA . LEU A 1 295 ? -26.633 26.279 2.176 1.00 27.05 ? 307 LEU A CA 1 ATOM 4450 C C . LEU A 1 295 ? -27.406 24.976 2.063 1.00 26.02 ? 307 LEU A C 1 ATOM 4451 O O . LEU A 1 295 ? -27.388 24.184 3.027 1.00 27.82 ? 307 LEU A O 1 ATOM 4452 C CB . LEU A 1 295 ? -27.582 27.325 2.789 1.00 29.39 ? 307 LEU A CB 1 ATOM 4453 C CG . LEU A 1 295 ? -26.980 28.684 3.153 1.00 31.72 ? 307 LEU A CG 1 ATOM 4454 C CD1 . LEU A 1 295 ? -28.063 29.578 3.671 1.00 32.36 ? 307 LEU A CD1 1 ATOM 4455 C CD2 . LEU A 1 295 ? -25.867 28.550 4.180 1.00 34.01 ? 307 LEU A CD2 1 ATOM 4456 H H . LEU A 1 295 ? -26.695 26.902 0.320 1.00 32.71 ? 307 LEU A H 1 ATOM 4457 H HA . LEU A 1 295 ? -25.902 26.138 2.798 1.00 32.46 ? 307 LEU A HA 1 ATOM 4458 H HB2 . LEU A 1 295 ? -28.297 27.491 2.155 1.00 35.26 ? 307 LEU A HB2 1 ATOM 4459 H HB3 . LEU A 1 295 ? -27.956 26.952 3.602 1.00 35.26 ? 307 LEU A HB3 1 ATOM 4460 H HG . LEU A 1 295 ? -26.608 29.092 2.356 1.00 38.06 ? 307 LEU A HG 1 ATOM 4461 H HD11 . LEU A 1 295 ? -27.679 30.438 3.901 1.00 38.83 ? 307 LEU A HD11 1 ATOM 4462 H HD12 . LEU A 1 295 ? -28.736 29.689 2.982 1.00 38.83 ? 307 LEU A HD12 1 ATOM 4463 H HD13 . LEU A 1 295 ? -28.459 29.171 4.458 1.00 38.83 ? 307 LEU A HD13 1 ATOM 4464 H HD21 . LEU A 1 295 ? -25.515 29.431 4.382 1.00 40.81 ? 307 LEU A HD21 1 ATOM 4465 H HD22 . LEU A 1 295 ? -26.227 28.146 4.985 1.00 40.81 ? 307 LEU A HD22 1 ATOM 4466 H HD23 . LEU A 1 295 ? -25.165 27.989 3.814 1.00 40.81 ? 307 LEU A HD23 1 ATOM 4467 N N . ASN A 1 296 ? -28.083 24.715 0.938 1.00 26.92 ? 308 ASN A N 1 ATOM 4468 C CA . ASN A 1 296 ? -29.018 23.600 0.918 1.00 26.88 ? 308 ASN A CA 1 ATOM 4469 C C . ASN A 1 296 ? -29.279 23.181 -0.516 1.00 26.86 ? 308 ASN A C 1 ATOM 4470 O O . ASN A 1 296 ? -29.560 24.022 -1.369 1.00 27.68 ? 308 ASN A O 1 ATOM 4471 C CB . ASN A 1 296 ? -30.320 24.009 1.633 1.00 28.43 ? 308 ASN A CB 1 ATOM 4472 C CG . ASN A 1 296 ? -30.763 23.008 2.689 1.00 29.03 ? 308 ASN A CG 1 ATOM 4473 O OD1 . ASN A 1 296 ? -31.888 22.542 2.667 1.00 29.66 ? 308 ASN A OD1 1 ATOM 4474 N ND2 . ASN A 1 296 ? -29.890 22.695 3.611 1.00 28.01 ? 308 ASN A ND2 1 ATOM 4475 H H . ASN A 1 296 ? -28.018 25.154 0.201 1.00 32.31 ? 308 ASN A H 1 ATOM 4476 H HA . ASN A 1 296 ? -28.632 22.847 1.392 1.00 32.26 ? 308 ASN A HA 1 ATOM 4477 H HB2 . ASN A 1 296 ? -30.184 24.864 2.071 1.00 34.12 ? 308 ASN A HB2 1 ATOM 4478 H HB3 . ASN A 1 296 ? -31.030 24.083 0.976 1.00 34.12 ? 308 ASN A HB3 1 ATOM 4479 H HD21 . ASN A 1 296 ? -30.099 22.133 4.228 1.00 33.61 ? 308 ASN A HD21 1 ATOM 4480 H HD22 . ASN A 1 296 ? -29.107 23.051 3.601 1.00 33.61 ? 308 ASN A HD22 1 ATOM 4481 N N . SER A 1 297 ? -29.183 21.888 -0.766 1.00 25.30 ? 309 SER A N 1 ATOM 4482 C CA . SER A 1 297 ? -29.471 21.318 -2.076 1.00 25.15 ? 309 SER A CA 1 ATOM 4483 C C . SER A 1 297 ? -30.939 20.923 -2.215 1.00 24.05 ? 309 SER A C 1 ATOM 4484 O O . SER A 1 297 ? -31.547 20.390 -1.277 1.00 24.94 ? 309 SER A O 1 ATOM 4485 C CB . SER A 1 297 ? -28.576 20.096 -2.276 1.00 26.37 ? 309 SER A CB 1 ATOM 4486 O OG . SER A 1 297 ? -27.221 20.476 -2.168 1.00 25.93 ? 309 SER A OG 1 ATOM 4487 H H . SER A 1 297 ? -28.948 21.303 -0.180 1.00 30.35 ? 309 SER A H 1 ATOM 4488 H HA . SER A 1 297 ? -29.261 21.968 -2.764 1.00 30.18 ? 309 SER A HA 1 ATOM 4489 H HB2 . SER A 1 297 ? -28.778 19.437 -1.593 1.00 31.64 ? 309 SER A HB2 1 ATOM 4490 H HB3 . SER A 1 297 ? -28.734 19.725 -3.158 1.00 31.64 ? 309 SER A HB3 1 ATOM 4491 H HG . SER A 1 297 ? -26.726 19.806 -2.278 1.00 31.12 ? 309 SER A HG 1 ATOM 4492 N N . VAL A 1 298 ? -31.497 21.172 -3.409 1.00 23.87 ? 310 VAL A N 1 ATOM 4493 C CA . VAL A 1 298 ? -32.916 21.003 -3.687 1.00 22.14 ? 310 VAL A CA 1 ATOM 4494 C C . VAL A 1 298 ? -33.060 20.173 -4.954 1.00 22.16 ? 310 VAL A C 1 ATOM 4495 O O . VAL A 1 298 ? -32.423 20.470 -5.975 1.00 22.88 ? 310 VAL A O 1 ATOM 4496 C CB . VAL A 1 298 ? -33.629 22.358 -3.839 1.00 22.48 ? 310 VAL A CB 1 ATOM 4497 C CG1 . VAL A 1 298 ? -35.113 22.142 -4.217 1.00 24.40 ? 310 VAL A CG1 1 ATOM 4498 C CG2 . VAL A 1 298 ? -33.437 23.233 -2.585 1.00 22.44 ? 310 VAL A CG2 1 ATOM 4499 H H . VAL A 1 298 ? -31.051 21.449 -4.090 1.00 28.64 ? 310 VAL A H 1 ATOM 4500 H HA . VAL A 1 298 ? -33.332 20.520 -2.956 1.00 26.57 ? 310 VAL A HA 1 ATOM 4501 H HB . VAL A 1 298 ? -33.215 22.831 -4.578 1.00 26.97 ? 310 VAL A HB 1 ATOM 4502 H HG11 . VAL A 1 298 ? -35.544 23.006 -4.308 1.00 29.27 ? 310 VAL A HG11 1 ATOM 4503 H HG12 . VAL A 1 298 ? -35.157 21.660 -5.058 1.00 29.27 ? 310 VAL A HG12 1 ATOM 4504 H HG13 . VAL A 1 298 ? -35.545 21.628 -3.517 1.00 29.27 ? 310 VAL A HG13 1 ATOM 4505 H HG21 . VAL A 1 298 ? -33.898 24.076 -2.715 1.00 26.93 ? 310 VAL A HG21 1 ATOM 4506 H HG22 . VAL A 1 298 ? -33.806 22.769 -1.817 1.00 26.93 ? 310 VAL A HG22 1 ATOM 4507 H HG23 . VAL A 1 298 ? -32.489 23.391 -2.452 1.00 26.93 ? 310 VAL A HG23 1 ATOM 4508 N N . PHE A 1 299 ? -33.903 19.152 -4.888 1.00 21.68 ? 311 PHE A N 1 ATOM 4509 C CA . PHE A 1 299 ? -34.078 18.180 -5.969 1.00 22.13 ? 311 PHE A CA 1 ATOM 4510 C C . PHE A 1 299 ? -35.546 18.097 -6.395 1.00 21.97 ? 311 PHE A C 1 ATOM 4511 O O . PHE A 1 299 ? -36.406 17.617 -5.644 1.00 22.83 ? 311 PHE A O 1 ATOM 4512 C CB . PHE A 1 299 ? -33.527 16.817 -5.543 1.00 22.88 ? 311 PHE A CB 1 ATOM 4513 C CG . PHE A 1 299 ? -32.137 16.892 -5.033 1.00 23.44 ? 311 PHE A CG 1 ATOM 4514 C CD1 . PHE A 1 299 ? -31.056 16.800 -5.885 1.00 23.69 ? 311 PHE A CD1 1 ATOM 4515 C CD2 . PHE A 1 299 ? -31.902 17.116 -3.691 1.00 22.51 ? 311 PHE A CD2 1 ATOM 4516 C CE1 . PHE A 1 299 ? -29.764 16.914 -5.399 1.00 24.47 ? 311 PHE A CE1 1 ATOM 4517 C CE2 . PHE A 1 299 ? -30.611 17.249 -3.205 1.00 23.64 ? 311 PHE A CE2 1 ATOM 4518 C CZ . PHE A 1 299 ? -29.551 17.147 -4.044 1.00 23.92 ? 311 PHE A CZ 1 ATOM 4519 H H . PHE A 1 299 ? -34.403 18.994 -4.206 1.00 26.01 ? 311 PHE A H 1 ATOM 4520 H HA . PHE A 1 299 ? -33.566 18.476 -6.738 1.00 26.55 ? 311 PHE A HA 1 ATOM 4521 H HB2 . PHE A 1 299 ? -34.086 16.457 -4.837 1.00 27.46 ? 311 PHE A HB2 1 ATOM 4522 H HB3 . PHE A 1 299 ? -33.534 16.221 -6.308 1.00 27.46 ? 311 PHE A HB3 1 ATOM 4523 H HD1 . PHE A 1 299 ? -31.196 16.658 -6.793 1.00 28.43 ? 311 PHE A HD1 1 ATOM 4524 H HD2 . PHE A 1 299 ? -32.622 17.201 -3.108 1.00 27.01 ? 311 PHE A HD2 1 ATOM 4525 H HE1 . PHE A 1 299 ? -29.040 16.845 -5.979 1.00 29.36 ? 311 PHE A HE1 1 ATOM 4526 H HE2 . PHE A 1 299 ? -30.470 17.389 -2.297 1.00 28.37 ? 311 PHE A HE2 1 ATOM 4527 H HZ . PHE A 1 299 ? -28.685 17.213 -3.712 1.00 28.71 ? 311 PHE A HZ 1 ATOM 4528 N N . VAL A 1 300 ? -35.839 18.564 -7.600 1.00 22.38 ? 312 VAL A N 1 ATOM 4529 C CA . VAL A 1 300 ? -37.165 18.450 -8.186 1.00 22.72 ? 312 VAL A CA 1 ATOM 4530 C C . VAL A 1 300 ? -37.157 17.244 -9.116 1.00 22.44 ? 312 VAL A C 1 ATOM 4531 O O . VAL A 1 300 ? -36.360 17.189 -10.068 1.00 23.91 ? 312 VAL A O 1 ATOM 4532 C CB . VAL A 1 300 ? -37.533 19.722 -8.952 1.00 22.70 ? 312 VAL A CB 1 ATOM 4533 C CG1 . VAL A 1 300 ? -38.937 19.643 -9.493 1.00 24.20 ? 312 VAL A CG1 1 ATOM 4534 C CG2 . VAL A 1 300 ? -37.373 20.987 -8.088 1.00 23.48 ? 312 VAL A CG2 1 ATOM 4535 H H . VAL A 1 300 ? -35.271 18.961 -8.110 1.00 26.85 ? 312 VAL A H 1 ATOM 4536 H HA . VAL A 1 300 ? -37.822 18.304 -7.488 1.00 27.26 ? 312 VAL A HA 1 ATOM 4537 H HB . VAL A 1 300 ? -36.934 19.810 -9.710 1.00 27.24 ? 312 VAL A HB 1 ATOM 4538 H HG11 . VAL A 1 300 ? -39.137 20.463 -9.971 1.00 29.03 ? 312 VAL A HG11 1 ATOM 4539 H HG12 . VAL A 1 300 ? -39.000 18.885 -10.095 1.00 29.03 ? 312 VAL A HG12 1 ATOM 4540 H HG13 . VAL A 1 300 ? -39.554 19.532 -8.753 1.00 29.03 ? 312 VAL A HG13 1 ATOM 4541 H HG21 . VAL A 1 300 ? -37.618 21.763 -8.617 1.00 28.18 ? 312 VAL A HG21 1 ATOM 4542 H HG22 . VAL A 1 300 ? -37.954 20.916 -7.315 1.00 28.18 ? 312 VAL A HG22 1 ATOM 4543 H HG23 . VAL A 1 300 ? -36.449 21.059 -7.803 1.00 28.18 ? 312 VAL A HG23 1 ATOM 4544 N N . ALA A 1 301 ? -38.045 16.314 -8.869 1.00 21.05 ? 313 ALA A N 1 ATOM 4545 C CA . ALA A 1 301 ? -38.119 15.066 -9.616 1.00 20.94 ? 313 ALA A CA 1 ATOM 4546 C C . ALA A 1 301 ? -39.170 15.092 -10.725 1.00 21.98 ? 313 ALA A C 1 ATOM 4547 O O . ALA A 1 301 ? -40.256 15.648 -10.552 1.00 23.33 ? 313 ALA A O 1 ATOM 4548 C CB . ALA A 1 301 ? -38.444 13.901 -8.688 1.00 22.10 ? 313 ALA A CB 1 ATOM 4549 H H . ALA A 1 301 ? -38.642 16.377 -8.253 1.00 25.26 ? 313 ALA A H 1 ATOM 4550 H HA . ALA A 1 301 ? -37.257 14.892 -10.025 1.00 25.13 ? 313 ALA A HA 1 ATOM 4551 H HB1 . ALA A 1 301 ? -38.487 13.085 -9.209 1.00 26.52 ? 313 ALA A HB1 1 ATOM 4552 H HB2 . ALA A 1 301 ? -37.747 13.830 -8.016 1.00 26.52 ? 313 ALA A HB2 1 ATOM 4553 H HB3 . ALA A 1 301 ? -39.299 14.067 -8.261 1.00 26.52 ? 313 ALA A HB3 1 ATOM 4554 N N . PRO A 1 302 ? -38.886 14.449 -11.851 1.00 21.89 ? 314 PRO A N 1 ATOM 4555 C CA . PRO A 1 302 ? -39.850 14.392 -12.944 1.00 21.88 ? 314 PRO A CA 1 ATOM 4556 C C . PRO A 1 302 ? -40.944 13.372 -12.684 1.00 22.39 ? 314 PRO A C 1 ATOM 4557 O O . PRO A 1 302 ? -40.834 12.481 -11.839 1.00 22.87 ? 314 PRO A O 1 ATOM 4558 C CB . PRO A 1 302 ? -38.982 13.973 -14.133 1.00 22.93 ? 314 PRO A CB 1 ATOM 4559 C CG . PRO A 1 302 ? -37.925 13.125 -13.516 1.00 24.73 ? 314 PRO A CG 1 ATOM 4560 C CD . PRO A 1 302 ? -37.613 13.810 -12.207 1.00 22.94 ? 314 PRO A CD 1 ATOM 4561 H HA . PRO A 1 302 ? -40.240 15.264 -13.109 1.00 26.25 ? 314 PRO A HA 1 ATOM 4562 H HB2 . PRO A 1 302 ? -39.511 13.463 -14.766 1.00 27.52 ? 314 PRO A HB2 1 ATOM 4563 H HB3 . PRO A 1 302 ? -38.596 14.758 -14.554 1.00 27.52 ? 314 PRO A HB3 1 ATOM 4564 H HG2 . PRO A 1 302 ? -38.268 12.231 -13.364 1.00 29.68 ? 314 PRO A HG2 1 ATOM 4565 H HG3 . PRO A 1 302 ? -37.143 13.104 -14.089 1.00 29.68 ? 314 PRO A HG3 1 ATOM 4566 H HD2 . PRO A 1 302 ? -37.362 13.157 -11.534 1.00 27.53 ? 314 PRO A HD2 1 ATOM 4567 H HD3 . PRO A 1 302 ? -36.922 14.479 -12.331 1.00 27.53 ? 314 PRO A HD3 1 ATOM 4568 N N . ALA A 1 303 ? -42.029 13.553 -13.427 1.00 22.26 ? 315 ALA A N 1 ATOM 4569 C CA . ALA A 1 303 ? -43.253 12.808 -13.234 1.00 21.99 ? 315 ALA A CA 1 ATOM 4570 C C . ALA A 1 303 ? -43.190 11.412 -13.847 1.00 22.50 ? 315 ALA A C 1 ATOM 4571 O O . ALA A 1 303 ? -42.398 11.115 -14.755 1.00 23.81 ? 315 ALA A O 1 ATOM 4572 C CB . ALA A 1 303 ? -44.395 13.553 -13.905 1.00 21.64 ? 315 ALA A CB 1 ATOM 4573 H H . ALA A 1 303 ? -42.076 14.122 -14.070 1.00 26.71 ? 315 ALA A H 1 ATOM 4574 H HA . ALA A 1 303 ? -43.444 12.727 -12.286 1.00 26.39 ? 315 ALA A HA 1 ATOM 4575 H HB1 . ALA A 1 303 ? -45.216 13.054 -13.775 1.00 25.97 ? 315 ALA A HB1 1 ATOM 4576 H HB2 . ALA A 1 303 ? -44.475 14.433 -13.504 1.00 25.97 ? 315 ALA A HB2 1 ATOM 4577 H HB3 . ALA A 1 303 ? -44.203 13.636 -14.852 1.00 25.97 ? 315 ALA A HB3 1 ATOM 4578 N N . VAL A 1 304 ? -44.088 10.552 -13.365 1.00 22.42 ? 316 VAL A N 1 ATOM 4579 C CA . VAL A 1 304 ? -44.409 9.323 -14.093 1.00 21.58 ? 316 VAL A CA 1 ATOM 4580 C C . VAL A 1 304 ? -45.259 9.611 -15.323 1.00 23.26 ? 316 VAL A C 1 ATOM 4581 O O . VAL A 1 304 ? -45.021 9.033 -16.393 1.00 23.56 ? 316 VAL A O 1 ATOM 4582 C CB . VAL A 1 304 ? -45.021 8.273 -13.147 1.00 23.80 ? 316 VAL A CB 1 ATOM 4583 C CG1 . VAL A 1 304 ? -45.595 7.080 -13.940 1.00 24.28 ? 316 VAL A CG1 1 ATOM 4584 C CG2 . VAL A 1 304 ? -43.949 7.821 -12.119 1.00 24.13 ? 316 VAL A CG2 1 ATOM 4585 H H . VAL A 1 304 ? -44.520 10.654 -12.629 1.00 26.90 ? 316 VAL A H 1 ATOM 4586 H HA . VAL A 1 304 ? -43.575 8.948 -14.417 1.00 25.89 ? 316 VAL A HA 1 ATOM 4587 H HB . VAL A 1 304 ? -45.751 8.681 -12.655 1.00 28.56 ? 316 VAL A HB 1 ATOM 4588 H HG11 . VAL A 1 304 ? -45.971 6.438 -13.317 1.00 29.13 ? 316 VAL A HG11 1 ATOM 4589 H HG12 . VAL A 1 304 ? -46.285 7.403 -14.540 1.00 29.13 ? 316 VAL A HG12 1 ATOM 4590 H HG13 . VAL A 1 304 ? -44.880 6.666 -14.449 1.00 29.13 ? 316 VAL A HG13 1 ATOM 4591 H HG21 . VAL A 1 304 ? -44.339 7.160 -11.526 1.00 28.96 ? 316 VAL A HG21 1 ATOM 4592 H HG22 . VAL A 1 304 ? -43.197 7.435 -12.596 1.00 28.96 ? 316 VAL A HG22 1 ATOM 4593 H HG23 . VAL A 1 304 ? -43.656 8.592 -11.608 1.00 28.96 ? 316 VAL A HG23 1 ATOM 4594 N N . THR A 1 305 ? -46.264 10.473 -15.202 1.00 23.37 ? 317 THR A N 1 ATOM 4595 C CA . THR A 1 305 ? -47.063 10.821 -16.369 1.00 22.82 ? 317 THR A CA 1 ATOM 4596 C C . THR A 1 305 ? -46.213 11.559 -17.402 1.00 23.38 ? 317 THR A C 1 ATOM 4597 O O . THR A 1 305 ? -45.349 12.399 -17.030 1.00 23.54 ? 317 THR A O 1 ATOM 4598 C CB . THR A 1 305 ? -48.273 11.680 -16.010 1.00 22.75 ? 317 THR A CB 1 ATOM 4599 O OG1 . THR A 1 305 ? -49.067 11.890 -17.187 1.00 24.92 ? 317 THR A OG1 1 ATOM 4600 C CG2 . THR A 1 305 ? -47.850 13.048 -15.428 1.00 24.34 ? 317 THR A CG2 1 ATOM 4601 H H . THR A 1 305 ? -46.499 10.862 -14.472 1.00 28.04 ? 317 THR A H 1 ATOM 4602 H HA . THR A 1 305 ? -47.389 10.005 -16.780 1.00 27.38 ? 317 THR A HA 1 ATOM 4603 H HB . THR A 1 305 ? -48.806 11.219 -15.344 1.00 27.30 ? 317 THR A HB 1 ATOM 4604 H HG1 . THR A 1 305 ? -49.736 12.362 -17.001 1.00 29.91 ? 317 THR A HG1 1 ATOM 4605 H HG21 . THR A 1 305 ? -48.636 13.573 -15.209 1.00 29.20 ? 317 THR A HG21 1 ATOM 4606 H HG22 . THR A 1 305 ? -47.324 12.918 -14.624 1.00 29.20 ? 317 THR A HG22 1 ATOM 4607 H HG23 . THR A 1 305 ? -47.318 13.534 -16.078 1.00 29.20 ? 317 THR A HG23 1 ATOM 4608 N N . PRO A 1 306 ? -46.450 11.293 -18.689 1.00 23.55 ? 318 PRO A N 1 ATOM 4609 C CA . PRO A 1 306 ? -45.805 12.045 -19.783 1.00 23.67 ? 318 PRO A CA 1 ATOM 4610 C C . PRO A 1 306 ? -46.663 13.181 -20.340 1.00 23.60 ? 318 PRO A C 1 ATOM 4611 O O . PRO A 1 306 ? -46.282 13.773 -21.375 1.00 24.33 ? 318 PRO A O 1 ATOM 4612 C CB . PRO A 1 306 ? -45.652 10.957 -20.844 1.00 25.00 ? 318 PRO A CB 1 ATOM 4613 C CG . PRO A 1 306 ? -46.947 10.190 -20.723 1.00 25.35 ? 318 PRO A CG 1 ATOM 4614 C CD . PRO A 1 306 ? -47.242 10.149 -19.205 1.00 24.19 ? 318 PRO A CD 1 ATOM 4615 H HA . PRO A 1 306 ? -44.934 12.378 -19.516 1.00 28.41 ? 318 PRO A HA 1 ATOM 4616 H HB2 . PRO A 1 306 ? -45.564 11.358 -21.723 1.00 29.99 ? 318 PRO A HB2 1 ATOM 4617 H HB3 . PRO A 1 306 ? -44.891 10.393 -20.636 1.00 29.99 ? 318 PRO A HB3 1 ATOM 4618 H HG2 . PRO A 1 306 ? -47.652 10.659 -21.198 1.00 30.42 ? 318 PRO A HG2 1 ATOM 4619 H HG3 . PRO A 1 306 ? -46.832 9.294 -21.075 1.00 30.42 ? 318 PRO A HG3 1 ATOM 4620 H HD2 . PRO A 1 306 ? -48.187 10.287 -19.038 1.00 29.02 ? 318 PRO A HD2 1 ATOM 4621 H HD3 . PRO A 1 306 ? -46.927 9.316 -18.820 1.00 29.02 ? 318 PRO A HD3 1 ATOM 4622 N N . VAL A 1 307 ? -47.793 13.484 -19.699 1.00 24.33 ? 319 VAL A N 1 ATOM 4623 C CA . VAL A 1 307 ? -48.812 14.336 -20.314 1.00 25.08 ? 319 VAL A CA 1 ATOM 4624 C C . VAL A 1 307 ? -48.258 15.706 -20.694 1.00 25.62 ? 319 VAL A C 1 ATOM 4625 O O . VAL A 1 307 ? -47.448 16.308 -19.972 1.00 26.50 ? 319 VAL A O 1 ATOM 4626 C CB . VAL A 1 307 ? -50.016 14.462 -19.361 1.00 26.25 ? 319 VAL A CB 1 ATOM 4627 C CG1 . VAL A 1 307 ? -49.694 15.340 -18.132 1.00 25.37 ? 319 VAL A CG1 1 ATOM 4628 C CG2 . VAL A 1 307 ? -51.248 14.962 -20.091 1.00 28.30 ? 319 VAL A CG2 1 ATOM 4629 H H . VAL A 1 307 ? -47.993 13.210 -18.909 1.00 29.19 ? 319 VAL A H 1 ATOM 4630 H HA . VAL A 1 307 ? -49.123 13.909 -21.127 1.00 30.10 ? 319 VAL A HA 1 ATOM 4631 H HB . VAL A 1 307 ? -50.226 13.576 -19.027 1.00 31.49 ? 319 VAL A HB 1 ATOM 4632 H HG11 . VAL A 1 307 ? -50.480 15.388 -17.565 1.00 30.44 ? 319 VAL A HG11 1 ATOM 4633 H HG12 . VAL A 1 307 ? -48.957 14.940 -17.644 1.00 30.44 ? 319 VAL A HG12 1 ATOM 4634 H HG13 . VAL A 1 307 ? -49.449 16.228 -18.435 1.00 30.44 ? 319 VAL A HG13 1 ATOM 4635 H HG21 . VAL A 1 307 ? -51.983 15.028 -19.460 1.00 33.96 ? 319 VAL A HG21 1 ATOM 4636 H HG22 . VAL A 1 307 ? -51.058 15.834 -20.470 1.00 33.96 ? 319 VAL A HG22 1 ATOM 4637 H HG23 . VAL A 1 307 ? -51.473 14.336 -20.796 1.00 33.96 ? 319 VAL A HG23 1 ATOM 4638 N N . LYS A 1 308 ? -48.751 16.231 -21.818 1.00 28.21 ? 320 LYS A N 1 ATOM 4639 C CA . LYS A 1 308 ? -48.522 17.613 -22.209 1.00 28.54 ? 320 LYS A CA 1 ATOM 4640 C C . LYS A 1 308 ? -49.767 18.154 -22.910 1.00 29.05 ? 320 LYS A C 1 ATOM 4641 O O . LYS A 1 308 ? -50.606 17.397 -23.400 1.00 28.79 ? 320 LYS A O 1 ATOM 4642 C CB . LYS A 1 308 ? -47.313 17.745 -23.157 1.00 29.96 ? 320 LYS A CB 1 ATOM 4643 C CG . LYS A 1 308 ? -47.579 17.218 -24.556 1.00 30.33 ? 320 LYS A CG 1 ATOM 4644 C CD . LYS A 1 308 ? -46.401 17.387 -25.549 1.00 31.35 ? 320 LYS A CD 1 ATOM 4645 C CE . LYS A 1 308 ? -46.851 17.183 -27.001 1.00 32.66 ? 320 LYS A CE 1 ATOM 4646 N NZ . LYS A 1 308 ? -47.714 18.277 -27.512 1.00 32.15 ? 320 LYS A NZ 1 ATOM 4647 H H . LYS A 1 308 ? -49.232 15.791 -22.380 1.00 33.85 ? 320 LYS A H 1 ATOM 4648 H HA . LYS A 1 308 ? -48.355 18.151 -21.419 1.00 34.25 ? 320 LYS A HA 1 ATOM 4649 H HB2 . LYS A 1 308 ? -47.074 18.682 -23.232 1.00 35.95 ? 320 LYS A HB2 1 ATOM 4650 H HB3 . LYS A 1 308 ? -46.569 17.244 -22.787 1.00 35.95 ? 320 LYS A HB3 1 ATOM 4651 H HG2 . LYS A 1 308 ? -47.778 16.271 -24.497 1.00 36.40 ? 320 LYS A HG2 1 ATOM 4652 H HG3 . LYS A 1 308 ? -48.343 17.689 -24.924 1.00 36.40 ? 320 LYS A HG3 1 ATOM 4653 H HD2 . LYS A 1 308 ? -46.040 18.284 -25.466 1.00 37.62 ? 320 LYS A HD2 1 ATOM 4654 H HD3 . LYS A 1 308 ? -45.716 16.730 -25.348 1.00 37.62 ? 320 LYS A HD3 1 ATOM 4655 H HE2 . LYS A 1 308 ? -46.066 17.133 -27.568 1.00 39.19 ? 320 LYS A HE2 1 ATOM 4656 H HE3 . LYS A 1 308 ? -47.354 16.356 -27.059 1.00 39.19 ? 320 LYS A HE3 1 ATOM 4657 H HZ1 . LYS A 1 308 ? -47.947 18.111 -28.355 1.00 38.58 ? 320 LYS A HZ1 1 ATOM 4658 H HZ2 . LYS A 1 308 ? -48.450 18.341 -27.016 1.00 38.58 ? 320 LYS A HZ2 1 ATOM 4659 H HZ3 . LYS A 1 308 ? -47.275 19.050 -27.480 1.00 38.58 ? 320 LYS A HZ3 1 ATOM 4660 N N . GLY A 1 309 ? -49.857 19.475 -22.997 1.00 29.11 ? 321 GLY A N 1 ATOM 4661 C CA . GLY A 1 309 ? -50.908 20.098 -23.785 1.00 29.52 ? 321 GLY A CA 1 ATOM 4662 C C . GLY A 1 309 ? -50.662 19.981 -25.282 1.00 30.67 ? 321 GLY A C 1 ATOM 4663 O O . GLY A 1 309 ? -49.566 19.655 -25.741 1.00 30.96 ? 321 GLY A O 1 ATOM 4664 H H . GLY A 1 309 ? -49.324 20.030 -22.612 1.00 34.93 ? 321 GLY A H 1 ATOM 4665 H HA2 . GLY A 1 309 ? -51.758 19.677 -23.580 1.00 35.42 ? 321 GLY A HA2 1 ATOM 4666 H HA3 . GLY A 1 309 ? -50.969 21.039 -23.557 1.00 35.42 ? 321 GLY A HA3 1 ATOM 4667 N N . VAL A 1 310 ? -51.715 20.262 -26.057 1.00 33.42 ? 322 VAL A N 1 ATOM 4668 C CA . VAL A 1 310 ? -51.667 20.103 -27.514 1.00 37.13 ? 322 VAL A CA 1 ATOM 4669 C C . VAL A 1 310 ? -50.579 20.976 -28.131 1.00 38.94 ? 322 VAL A C 1 ATOM 4670 O O . VAL A 1 310 ? -49.860 20.533 -29.027 1.00 39.52 ? 322 VAL A O 1 ATOM 4671 C CB . VAL A 1 310 ? -53.051 20.379 -28.133 1.00 38.58 ? 322 VAL A CB 1 ATOM 4672 C CG1 . VAL A 1 310 ? -52.947 20.504 -29.637 1.00 40.30 ? 322 VAL A CG1 1 ATOM 4673 C CG2 . VAL A 1 310 ? -54.000 19.271 -27.760 1.00 39.60 ? 322 VAL A CG2 1 ATOM 4674 H H . VAL A 1 310 ? -52.471 20.547 -25.762 1.00 40.10 ? 322 VAL A H 1 ATOM 4675 H HA . VAL A 1 310 ? -51.443 19.180 -27.712 1.00 44.56 ? 322 VAL A HA 1 ATOM 4676 H HB . VAL A 1 310 ? -53.400 21.213 -27.780 1.00 46.29 ? 322 VAL A HB 1 ATOM 4677 H HG11 . VAL A 1 310 ? -53.830 20.677 -30.000 1.00 48.36 ? 322 VAL A HG11 1 ATOM 4678 H HG12 . VAL A 1 310 ? -52.351 21.238 -29.853 1.00 48.36 ? 322 VAL A HG12 1 ATOM 4679 H HG13 . VAL A 1 310 ? -52.597 19.675 -29.999 1.00 48.36 ? 322 VAL A HG13 1 ATOM 4680 H HG21 . VAL A 1 310 ? -54.867 19.453 -28.154 1.00 47.52 ? 322 VAL A HG21 1 ATOM 4681 H HG22 . VAL A 1 310 ? -53.652 18.431 -28.099 1.00 47.52 ? 322 VAL A HG22 1 ATOM 4682 H HG23 . VAL A 1 310 ? -54.076 19.233 -26.794 1.00 47.52 ? 322 VAL A HG23 1 ATOM 4683 N N . LEU A 1 311 ? -50.443 22.227 -27.666 1.00 40.02 ? 323 LEU A N 1 ATOM 4684 C CA . LEU A 1 311 ? -49.471 23.157 -28.231 1.00 42.99 ? 323 LEU A CA 1 ATOM 4685 C C . LEU A 1 311 ? -48.048 22.934 -27.743 1.00 42.13 ? 323 LEU A C 1 ATOM 4686 O O . LEU A 1 311 ? -47.109 23.361 -28.424 1.00 42.43 ? 323 LEU A O 1 ATOM 4687 C CB . LEU A 1 311 ? -49.813 24.600 -27.837 1.00 46.30 ? 323 LEU A CB 1 ATOM 4688 C CG . LEU A 1 311 ? -50.771 25.446 -28.658 1.00 48.73 ? 323 LEU A CG 1 ATOM 4689 C CD1 . LEU A 1 311 ? -50.752 26.889 -28.090 1.00 47.81 ? 323 LEU A CD1 1 ATOM 4690 C CD2 . LEU A 1 311 ? -50.448 25.439 -30.162 1.00 49.96 ? 323 LEU A CD2 1 ATOM 4691 H H . LEU A 1 311 ? -50.907 22.556 -27.020 1.00 48.02 ? 323 LEU A H 1 ATOM 4692 H HA . LEU A 1 311 ? -49.480 23.089 -29.198 1.00 51.59 ? 323 LEU A HA 1 ATOM 4693 H HB2 . LEU A 1 311 ? -50.182 24.570 -26.941 1.00 55.56 ? 323 LEU A HB2 1 ATOM 4694 H HB3 . LEU A 1 311 ? -48.978 25.092 -27.808 1.00 55.56 ? 323 LEU A HB3 1 ATOM 4695 H HG . LEU A 1 311 ? -51.669 25.096 -28.547 1.00 58.48 ? 323 LEU A HG 1 ATOM 4696 H HD11 . LEU A 1 311 ? -51.361 27.439 -28.607 1.00 57.37 ? 323 LEU A HD11 1 ATOM 4697 H HD12 . LEU A 1 311 ? -51.033 26.866 -27.162 1.00 57.37 ? 323 LEU A HD12 1 ATOM 4698 H HD13 . LEU A 1 311 ? -49.851 27.241 -28.155 1.00 57.37 ? 323 LEU A HD13 1 ATOM 4699 H HD21 . LEU A 1 311 ? -51.094 25.996 -30.626 1.00 59.95 ? 323 LEU A HD21 1 ATOM 4700 H HD22 . LEU A 1 311 ? -49.554 25.790 -30.294 1.00 59.95 ? 323 LEU A HD22 1 ATOM 4701 H HD23 . LEU A 1 311 ? -50.499 24.529 -30.491 1.00 59.95 ? 323 LEU A HD23 1 ATOM 4702 N N . GLN A 1 312 ? -47.862 22.329 -26.571 1.00 41.09 ? 324 GLN A N 1 ATOM 4703 C CA . GLN A 1 312 ? -46.533 22.236 -25.983 1.00 40.92 ? 324 GLN A CA 1 ATOM 4704 C C . GLN A 1 312 ? -45.594 21.447 -26.885 1.00 38.90 ? 324 GLN A C 1 ATOM 4705 O O . GLN A 1 312 ? -45.946 20.383 -27.393 1.00 38.85 ? 324 GLN A O 1 ATOM 4706 C CB . GLN A 1 312 ? -46.614 21.497 -24.659 1.00 42.25 ? 324 GLN A CB 1 ATOM 4707 C CG . GLN A 1 312 ? -46.605 22.307 -23.415 1.00 45.51 ? 324 GLN A CG 1 ATOM 4708 C CD . GLN A 1 312 ? -46.745 21.392 -22.203 1.00 46.75 ? 324 GLN A CD 1 ATOM 4709 O OE1 . GLN A 1 312 ? -47.843 21.212 -21.677 1.00 48.21 ? 324 GLN A OE1 1 ATOM 4710 N NE2 . GLN A 1 312 ? -45.637 20.754 -21.797 1.00 46.33 ? 324 GLN A NE2 1 ATOM 4711 H H . GLN A 1 312 ? -48.485 21.968 -26.101 1.00 49.31 ? 324 GLN A H 1 ATOM 4712 H HA . GLN A 1 312 ? -46.167 23.122 -25.835 1.00 49.11 ? 324 GLN A HA 1 ATOM 4713 H HB2 . GLN A 1 312 ? -47.435 20.981 -24.655 1.00 50.70 ? 324 GLN A HB2 1 ATOM 4714 H HB3 . GLN A 1 312 ? -45.858 20.892 -24.608 1.00 50.70 ? 324 GLN A HB3 1 ATOM 4715 H HG2 . GLN A 1 312 ? -45.765 22.787 -23.345 1.00 54.61 ? 324 GLN A HG2 1 ATOM 4716 H HG3 . GLN A 1 312 ? -47.352 22.926 -23.424 1.00 54.61 ? 324 GLN A HG3 1 ATOM 4717 H HE21 . GLN A 1 312 ? -44.895 20.872 -22.216 1.00 55.60 ? 324 GLN A HE21 1 ATOM 4718 H HE22 . GLN A 1 312 ? -45.669 20.228 -21.118 1.00 55.60 ? 324 GLN A HE22 1 ATOM 4719 N N . LYS A 1 313 ? -44.363 21.936 -27.029 1.00 38.47 ? 325 LYS A N 1 ATOM 4720 C CA . LYS A 1 313 ? -43.432 21.308 -27.963 1.00 38.62 ? 325 LYS A CA 1 ATOM 4721 C C . LYS A 1 313 ? -42.707 20.112 -27.375 1.00 36.24 ? 325 LYS A C 1 ATOM 4722 O O . LYS A 1 313 ? -42.416 19.165 -28.103 1.00 37.24 ? 325 LYS A O 1 ATOM 4723 C CB . LYS A 1 313 ? -42.436 22.346 -28.464 1.00 42.66 ? 325 LYS A CB 1 ATOM 4724 C CG . LYS A 1 313 ? -43.177 23.426 -29.245 1.00 45.90 ? 325 LYS A CG 1 ATOM 4725 C CD . LYS A 1 313 ? -42.259 24.490 -29.792 1.00 49.47 ? 325 LYS A CD 1 ATOM 4726 C CE . LYS A 1 313 ? -41.742 25.426 -28.697 1.00 51.79 ? 325 LYS A CE 1 ATOM 4727 N NZ . LYS A 1 313 ? -40.811 26.453 -29.301 1.00 53.84 ? 325 LYS A NZ 1 ATOM 4728 H H . LYS A 1 313 ? -44.048 22.616 -26.606 1.00 46.16 ? 325 LYS A H 1 ATOM 4729 H HA . LYS A 1 313 ? -43.935 20.993 -28.731 1.00 46.34 ? 325 LYS A HA 1 ATOM 4730 H HB2 . LYS A 1 313 ? -41.990 22.761 -27.709 1.00 51.19 ? 325 LYS A HB2 1 ATOM 4731 H HB3 . LYS A 1 313 ? -41.792 21.923 -29.053 1.00 51.19 ? 325 LYS A HB3 1 ATOM 4732 H HG2 . LYS A 1 313 ? -43.636 23.014 -29.994 1.00 55.08 ? 325 LYS A HG2 1 ATOM 4733 H HG3 . LYS A 1 313 ? -43.818 23.856 -28.659 1.00 55.08 ? 325 LYS A HG3 1 ATOM 4734 H HD2 . LYS A 1 313 ? -41.494 24.066 -30.212 1.00 59.36 ? 325 LYS A HD2 1 ATOM 4735 H HD3 . LYS A 1 313 ? -42.743 25.024 -30.441 1.00 59.36 ? 325 LYS A HD3 1 ATOM 4736 H HE2 . LYS A 1 313 ? -42.489 25.889 -28.285 1.00 62.15 ? 325 LYS A HE2 1 ATOM 4737 H HE3 . LYS A 1 313 ? -41.251 24.913 -28.036 1.00 62.15 ? 325 LYS A HE3 1 ATOM 4738 H HZ1 . LYS A 1 313 ? -40.508 26.999 -28.667 1.00 64.61 ? 325 LYS A HZ1 1 ATOM 4739 H HZ2 . LYS A 1 313 ? -40.119 26.047 -29.687 1.00 64.61 ? 325 LYS A HZ2 1 ATOM 4740 H HZ3 . LYS A 1 313 ? -41.243 26.932 -29.914 1.00 64.61 ? 325 LYS A HZ3 1 ATOM 4741 N N . GLU A 1 314 ? -42.387 20.131 -26.091 1.00 33.39 ? 326 GLU A N 1 ATOM 4742 C CA . GLU A 1 314 ? -41.690 19.032 -25.457 1.00 30.95 ? 326 GLU A CA 1 ATOM 4743 C C . GLU A 1 314 ? -42.487 18.535 -24.258 1.00 29.40 ? 326 GLU A C 1 ATOM 4744 O O . GLU A 1 314 ? -43.421 19.183 -23.793 1.00 29.33 ? 326 GLU A O 1 ATOM 4745 C CB . GLU A 1 314 ? -40.311 19.476 -24.958 1.00 32.49 ? 326 GLU A CB 1 ATOM 4746 C CG . GLU A 1 314 ? -39.451 20.144 -26.002 1.00 35.97 ? 326 GLU A CG 1 ATOM 4747 C CD . GLU A 1 314 ? -39.025 19.210 -27.105 1.00 38.88 ? 326 GLU A CD 1 ATOM 4748 O OE1 . GLU A 1 314 ? -39.293 17.999 -26.999 1.00 38.61 ? 326 GLU A OE1 1 ATOM 4749 O OE2 . GLU A 1 314 ? -38.436 19.693 -28.093 1.00 41.57 ? 326 GLU A OE2 1 ATOM 4750 H H . GLU A 1 314 ? -42.568 20.782 -25.558 1.00 40.06 ? 326 GLU A H 1 ATOM 4751 H HA . GLU A 1 314 ? -41.579 18.302 -26.087 1.00 37.14 ? 326 GLU A HA 1 ATOM 4752 H HB2 . GLU A 1 314 ? -40.432 20.105 -24.230 1.00 38.99 ? 326 GLU A HB2 1 ATOM 4753 H HB3 . GLU A 1 314 ? -39.831 18.696 -24.638 1.00 38.99 ? 326 GLU A HB3 1 ATOM 4754 H HG2 . GLU A 1 314 ? -39.952 20.872 -26.403 1.00 43.16 ? 326 GLU A HG2 1 ATOM 4755 H HG3 . GLU A 1 314 ? -38.650 20.489 -25.576 1.00 43.16 ? 326 GLU A HG3 1 ATOM 4756 N N . THR A 1 315 ? -42.100 17.361 -23.769 1.00 28.38 ? 327 THR A N 1 ATOM 4757 C CA . THR A 1 315 ? -42.639 16.798 -22.533 1.00 27.62 ? 327 THR A CA 1 ATOM 4758 C C . THR A 1 315 ? -41.556 15.913 -21.935 1.00 26.63 ? 327 THR A C 1 ATOM 4759 O O . THR A 1 315 ? -40.449 15.837 -22.466 1.00 27.53 ? 327 THR A O 1 ATOM 4760 C CB . THR A 1 315 ? -43.965 16.061 -22.763 1.00 27.27 ? 327 THR A CB 1 ATOM 4761 O OG1 . THR A 1 315 ? -44.606 15.813 -21.488 1.00 29.17 ? 327 THR A OG1 1 ATOM 4762 C CG2 . THR A 1 315 ? -43.757 14.734 -23.524 1.00 28.05 ? 327 THR A CG2 1 ATOM 4763 H H . THR A 1 315 ? -41.512 16.859 -24.145 1.00 34.06 ? 327 THR A H 1 ATOM 4764 H HA . THR A 1 315 ? -42.808 17.521 -21.909 1.00 33.15 ? 327 THR A HA 1 ATOM 4765 H HB . THR A 1 315 ? -44.545 16.622 -23.300 1.00 32.72 ? 327 THR A HB 1 ATOM 4766 H HG1 . THR A 1 315 ? -45.334 15.410 -21.605 1.00 35.01 ? 327 THR A HG1 1 ATOM 4767 H HG21 . THR A 1 315 ? -44.610 14.290 -23.655 1.00 33.65 ? 327 THR A HG21 1 ATOM 4768 H HG22 . THR A 1 315 ? -43.356 14.908 -24.390 1.00 33.65 ? 327 THR A HG22 1 ATOM 4769 H HG23 . THR A 1 315 ? -43.172 14.149 -23.017 1.00 33.65 ? 327 THR A HG23 1 ATOM 4770 N N . ASN A 1 316 ? -41.871 15.250 -20.818 1.00 24.27 ? 328 ASN A N 1 ATOM 4771 C CA . ASN A 1 316 ? -40.938 14.350 -20.169 1.00 23.89 ? 328 ASN A CA 1 ATOM 4772 C C . ASN A 1 316 ? -41.270 12.911 -20.533 1.00 25.99 ? 328 ASN A C 1 ATOM 4773 O O . ASN A 1 316 ? -42.425 12.579 -20.792 1.00 28.29 ? 328 ASN A O 1 ATOM 4774 C CB . ASN A 1 316 ? -41.046 14.484 -18.635 1.00 23.94 ? 328 ASN A CB 1 ATOM 4775 C CG . ASN A 1 316 ? -42.441 14.212 -18.119 1.00 23.07 ? 328 ASN A CG 1 ATOM 4776 O OD1 . ASN A 1 316 ? -43.367 15.001 -18.339 1.00 24.31 ? 328 ASN A OD1 1 ATOM 4777 N ND2 . ASN A 1 316 ? -42.601 13.110 -17.405 1.00 22.64 ? 328 ASN A ND2 1 ATOM 4778 H H . ASN A 1 316 ? -42.630 15.312 -20.419 1.00 29.12 ? 328 ASN A H 1 ATOM 4779 H HA . ASN A 1 316 ? -40.030 14.549 -20.445 1.00 28.67 ? 328 ASN A HA 1 ATOM 4780 H HB2 . ASN A 1 316 ? -40.443 13.847 -18.219 1.00 28.73 ? 328 ASN A HB2 1 ATOM 4781 H HB3 . ASN A 1 316 ? -40.803 15.387 -18.379 1.00 28.73 ? 328 ASN A HB3 1 ATOM 4782 H HD21 . ASN A 1 316 ? -43.376 12.912 -17.089 1.00 27.17 ? 328 ASN A HD21 1 ATOM 4783 H HD22 . ASN A 1 316 ? -41.930 12.593 -17.255 1.00 27.17 ? 328 ASN A HD22 1 ATOM 4784 N N . ASN A 1 317 ? -40.236 12.061 -20.567 1.00 26.14 ? 329 ASN A N 1 ATOM 4785 C CA . ASN A 1 317 ? -40.460 10.651 -20.390 1.00 24.53 ? 329 ASN A CA 1 ATOM 4786 C C . ASN A 1 317 ? -40.817 10.376 -18.928 1.00 23.61 ? 329 ASN A C 1 ATOM 4787 O O . ASN A 1 317 ? -40.408 11.117 -18.010 1.00 23.30 ? 329 ASN A O 1 ATOM 4788 C CB . ASN A 1 317 ? -39.217 9.846 -20.715 1.00 24.35 ? 329 ASN A CB 1 ATOM 4789 C CG . ASN A 1 317 ? -39.041 9.580 -22.198 1.00 25.81 ? 329 ASN A CG 1 ATOM 4790 O OD1 . ASN A 1 317 ? -39.994 9.236 -22.928 1.00 26.11 ? 329 ASN A OD1 1 ATOM 4791 N ND2 . ASN A 1 317 ? -37.803 9.685 -22.646 1.00 26.60 ? 329 ASN A ND2 1 ATOM 4792 H H . ASN A 1 317 ? -39.414 12.285 -20.688 1.00 31.36 ? 329 ASN A H 1 ATOM 4793 H HA . ASN A 1 317 ? -41.189 10.355 -20.957 1.00 29.43 ? 329 ASN A HA 1 ATOM 4794 H HB2 . ASN A 1 317 ? -38.438 10.334 -20.406 1.00 29.22 ? 329 ASN A HB2 1 ATOM 4795 H HB3 . ASN A 1 317 ? -39.271 8.990 -20.263 1.00 29.22 ? 329 ASN A HB3 1 ATOM 4796 H HD21 . ASN A 1 317 ? -37.633 9.547 -23.478 1.00 31.91 ? 329 ASN A HD21 1 ATOM 4797 H HD22 . ASN A 1 317 ? -37.166 9.893 -22.106 1.00 31.91 ? 329 ASN A HD22 1 ATOM 4798 N N . PRO A 1 318 ? -41.539 9.296 -18.679 1.00 23.76 ? 330 PRO A N 1 ATOM 4799 C CA . PRO A 1 318 ? -41.767 8.863 -17.298 1.00 22.93 ? 330 PRO A CA 1 ATOM 4800 C C . PRO A 1 318 ? -40.460 8.610 -16.558 1.00 24.35 ? 330 PRO A C 1 ATOM 4801 O O . PRO A 1 318 ? -39.520 8.040 -17.118 1.00 24.79 ? 330 PRO A O 1 ATOM 4802 C CB . PRO A 1 318 ? -42.555 7.558 -17.464 1.00 22.69 ? 330 PRO A CB 1 ATOM 4803 C CG . PRO A 1 318 ? -43.290 7.706 -18.777 1.00 23.54 ? 330 PRO A CG 1 ATOM 4804 C CD . PRO A 1 318 ? -42.281 8.487 -19.666 1.00 23.21 ? 330 PRO A CD 1 ATOM 4805 H HA . PRO A 1 318 ? -42.301 9.513 -16.815 1.00 27.51 ? 330 PRO A HA 1 ATOM 4806 H HB2 . PRO A 1 318 ? -41.942 6.807 -17.497 1.00 27.23 ? 330 PRO A HB2 1 ATOM 4807 H HB3 . PRO A 1 318 ? -43.181 7.459 -16.730 1.00 27.23 ? 330 PRO A HB3 1 ATOM 4808 H HG2 . PRO A 1 318 ? -43.480 6.831 -19.151 1.00 28.25 ? 330 PRO A HG2 1 ATOM 4809 H HG3 . PRO A 1 318 ? -44.106 8.215 -18.646 1.00 28.25 ? 330 PRO A HG3 1 ATOM 4810 H HD2 . PRO A 1 318 ? -41.683 7.874 -20.121 1.00 27.85 ? 330 PRO A HD2 1 ATOM 4811 H HD3 . PRO A 1 318 ? -42.751 9.060 -20.291 1.00 27.85 ? 330 PRO A HD3 1 ATOM 4812 N N . GLY A 1 319 ? -40.442 9.011 -15.281 1.00 24.54 ? 331 GLY A N 1 ATOM 4813 C CA . GLY A 1 319 ? -39.274 8.855 -14.426 1.00 24.36 ? 331 GLY A CA 1 ATOM 4814 C C . GLY A 1 319 ? -39.614 8.417 -13.012 1.00 23.86 ? 331 GLY A C 1 ATOM 4815 O O . GLY A 1 319 ? -40.695 8.711 -12.481 1.00 23.92 ? 331 GLY A O 1 ATOM 4816 H H . GLY A 1 319 ? -41.109 9.383 -14.886 1.00 29.45 ? 331 GLY A H 1 ATOM 4817 H HA2 . GLY A 1 319 ? -38.680 8.193 -14.814 1.00 29.23 ? 331 GLY A HA2 1 ATOM 4818 H HA3 . GLY A 1 319 ? -38.799 9.699 -14.377 1.00 29.23 ? 331 GLY A HA3 1 ATOM 4819 N N . VAL A 1 320 ? -38.651 7.714 -12.397 1.00 24.29 ? 332 VAL A N 1 ATOM 4820 C CA . VAL A 1 320 ? -38.565 7.497 -10.946 1.00 24.27 ? 332 VAL A CA 1 ATOM 4821 C C . VAL A 1 320 ? -37.097 7.594 -10.558 1.00 24.37 ? 332 VAL A C 1 ATOM 4822 O O . VAL A 1 320 ? -36.199 7.369 -11.376 1.00 25.49 ? 332 VAL A O 1 ATOM 4823 C CB . VAL A 1 320 ? -39.120 6.140 -10.456 1.00 26.26 ? 332 VAL A CB 1 ATOM 4824 C CG1 . VAL A 1 320 ? -40.579 5.983 -10.794 1.00 24.20 ? 332 VAL A CG1 1 ATOM 4825 C CG2 . VAL A 1 320 ? -38.315 4.976 -11.005 1.00 27.01 ? 332 VAL A CG2 1 ATOM 4826 H H . VAL A 1 320 ? -38.007 7.336 -12.824 1.00 29.14 ? 332 VAL A H 1 ATOM 4827 H HA . VAL A 1 320 ? -39.047 8.203 -10.489 1.00 29.12 ? 332 VAL A HA 1 ATOM 4828 H HB . VAL A 1 320 ? -39.044 6.112 -9.489 1.00 31.51 ? 332 VAL A HB 1 ATOM 4829 H HG11 . VAL A 1 320 ? -40.887 5.122 -10.470 1.00 29.04 ? 332 VAL A HG11 1 ATOM 4830 H HG12 . VAL A 1 320 ? -41.080 6.695 -10.367 1.00 29.04 ? 332 VAL A HG12 1 ATOM 4831 H HG13 . VAL A 1 320 ? -40.687 6.033 -11.757 1.00 29.04 ? 332 VAL A HG13 1 ATOM 4832 H HG21 . VAL A 1 320 ? -38.695 4.147 -10.675 1.00 32.41 ? 332 VAL A HG21 1 ATOM 4833 H HG22 . VAL A 1 320 ? -38.353 4.996 -11.974 1.00 32.41 ? 332 VAL A HG22 1 ATOM 4834 H HG23 . VAL A 1 320 ? -37.396 5.061 -10.708 1.00 32.41 ? 332 VAL A HG23 1 ATOM 4835 N N . ARG A 1 321 ? -36.841 7.927 -9.296 1.00 23.17 ? 333 ARG A N 1 ATOM 4836 C CA . ARG A 1 321 ? -35.461 8.135 -8.871 1.00 23.78 ? 333 ARG A CA 1 ATOM 4837 C C . ARG A 1 321 ? -35.183 7.587 -7.481 1.00 23.77 ? 333 ARG A C 1 ATOM 4838 O O . ARG A 1 321 ? -36.083 7.380 -6.659 1.00 23.81 ? 333 ARG A O 1 ATOM 4839 C CB . ARG A 1 321 ? -35.047 9.605 -8.919 1.00 23.78 ? 333 ARG A CB 1 ATOM 4840 C CG . ARG A 1 321 ? -35.926 10.527 -8.056 1.00 23.96 ? 333 ARG A CG 1 ATOM 4841 C CD . ARG A 1 321 ? -35.405 11.961 -7.929 1.00 24.19 ? 333 ARG A CD 1 ATOM 4842 N NE . ARG A 1 321 ? -35.146 12.568 -9.237 1.00 23.68 ? 333 ARG A NE 1 ATOM 4843 C CZ . ARG A 1 321 ? -34.735 13.815 -9.426 1.00 24.35 ? 333 ARG A CZ 1 ATOM 4844 N NH1 . ARG A 1 321 ? -34.640 14.667 -8.415 1.00 24.31 ? 333 ARG A NH1 1 ATOM 4845 N NH2 . ARG A 1 321 ? -34.420 14.202 -10.640 1.00 24.51 ? 333 ARG A NH2 1 ATOM 4846 H H . ARG A 1 321 ? -37.432 8.036 -8.681 1.00 27.81 ? 333 ARG A H 1 ATOM 4847 H HA . ARG A 1 321 ? -34.883 7.657 -9.487 1.00 28.53 ? 333 ARG A HA 1 ATOM 4848 H HB2 . ARG A 1 321 ? -34.134 9.683 -8.600 1.00 28.54 ? 333 ARG A HB2 1 ATOM 4849 H HB3 . ARG A 1 321 ? -35.102 9.916 -9.836 1.00 28.54 ? 333 ARG A HB3 1 ATOM 4850 H HG2 . ARG A 1 321 ? -36.811 10.569 -8.450 1.00 28.75 ? 333 ARG A HG2 1 ATOM 4851 H HG3 . ARG A 1 321 ? -35.983 10.154 -7.163 1.00 28.75 ? 333 ARG A HG3 1 ATOM 4852 H HD2 . ARG A 1 321 ? -36.068 12.501 -7.470 1.00 29.03 ? 333 ARG A HD2 1 ATOM 4853 H HD3 . ARG A 1 321 ? -34.574 11.955 -7.428 1.00 29.03 ? 333 ARG A HD3 1 ATOM 4854 H HE . ARG A 1 321 ? -35.270 12.080 -9.934 1.00 28.42 ? 333 ARG A HE 1 ATOM 4855 H HH11 . ARG A 1 321 ? -34.815 14.405 -7.615 1.00 29.17 ? 333 ARG A HH11 1 ATOM 4856 H HH12 . ARG A 1 321 ? -34.389 15.477 -8.558 1.00 29.17 ? 333 ARG A HH12 1 ATOM 4857 H HH21 . ARG A 1 321 ? -34.508 13.658 -11.300 1.00 29.41 ? 333 ARG A HH21 1 ATOM 4858 H HH22 . ARG A 1 321 ? -34.204 15.022 -10.786 1.00 29.41 ? 333 ARG A HH22 1 ATOM 4859 N N . LEU A 1 322 ? -33.879 7.388 -7.240 1.00 25.97 ? 334 LEU A N 1 ATOM 4860 C CA A LEU A 1 322 ? -33.353 6.790 -6.020 0.54 26.60 ? 334 LEU A CA 1 ATOM 4861 C CA B LEU A 1 322 ? -33.354 6.789 -6.021 0.46 26.49 ? 334 LEU A CA 1 ATOM 4862 C C . LEU A 1 322 ? -32.239 7.683 -5.495 1.00 25.97 ? 334 LEU A C 1 ATOM 4863 O O . LEU A 1 322 ? -31.383 8.143 -6.272 1.00 28.10 ? 334 LEU A O 1 ATOM 4864 C CB A LEU A 1 322 ? -32.804 5.390 -6.352 0.54 28.24 ? 334 LEU A CB 1 ATOM 4865 C CB B LEU A 1 322 ? -32.834 5.380 -6.375 0.46 27.85 ? 334 LEU A CB 1 ATOM 4866 C CG A LEU A 1 322 ? -32.098 4.554 -5.289 0.54 29.78 ? 334 LEU A CG 1 ATOM 4867 C CG B LEU A 1 322 ? -32.204 4.413 -5.378 0.46 29.14 ? 334 LEU A CG 1 ATOM 4868 C CD1 A LEU A 1 322 ? -33.125 3.857 -4.422 0.54 29.33 ? 334 LEU A CD1 1 ATOM 4869 C CD1 B LEU A 1 322 ? -32.114 3.035 -6.016 0.46 30.02 ? 334 LEU A CD1 1 ATOM 4870 C CD2 A LEU A 1 322 ? -31.156 3.530 -5.940 0.54 30.85 ? 334 LEU A CD2 1 ATOM 4871 C CD2 B LEU A 1 322 ? -30.822 4.874 -4.979 0.46 29.16 ? 334 LEU A CD2 1 ATOM 4872 H H . LEU A 1 322 ? -33.265 7.607 -7.801 1.00 31.17 ? 334 LEU A H 1 ATOM 4873 H HA . LEU A 1 322 ? -34.052 6.715 -5.351 1.00 31.79 ? 334 LEU A HA 1 ATOM 4874 H HB2 A LEU A 1 322 ? -33.550 4.855 -6.666 0.54 33.89 ? 334 LEU A HB2 1 ATOM 4875 H HB2 B LEU A 1 322 ? -33.584 4.901 -6.760 0.46 33.42 ? 334 LEU A HB2 1 ATOM 4876 H HB3 A LEU A 1 322 ? -32.172 5.494 -7.080 0.54 33.89 ? 334 LEU A HB3 1 ATOM 4877 H HB3 B LEU A 1 322 ? -32.168 5.502 -7.070 0.46 33.42 ? 334 LEU A HB3 1 ATOM 4878 H HG A LEU A 1 322 ? -31.569 5.137 -4.724 0.54 35.74 ? 334 LEU A HG 1 ATOM 4879 H HG B LEU A 1 322 ? -32.757 4.354 -4.583 0.46 34.96 ? 334 LEU A HG 1 ATOM 4880 H HD11 A LEU A 1 322 ? -32.665 3.329 -3.751 0.54 35.20 ? 334 LEU A HD11 1 ATOM 4881 H HD11 B LEU A 1 322 ? -31.713 2.420 -5.381 0.46 36.02 ? 334 LEU A HD11 1 ATOM 4882 H HD12 A LEU A 1 322 ? -33.682 4.526 -3.993 0.54 35.20 ? 334 LEU A HD12 1 ATOM 4883 H HD12 B LEU A 1 322 ? -33.006 2.736 -6.249 0.46 36.02 ? 334 LEU A HD12 1 ATOM 4884 H HD13 A LEU A 1 322 ? -33.671 3.281 -4.980 0.54 35.20 ? 334 LEU A HD13 1 ATOM 4885 H HD13 B LEU A 1 322 ? -31.565 3.092 -6.813 0.46 36.02 ? 334 LEU A HD13 1 ATOM 4886 H HD21 A LEU A 1 322 ? -30.722 3.014 -5.243 0.54 37.02 ? 334 LEU A HD21 1 ATOM 4887 H HD21 B LEU A 1 322 ? -30.449 4.240 -4.346 0.46 34.99 ? 334 LEU A HD21 1 ATOM 4888 H HD22 A LEU A 1 322 ? -31.674 2.943 -6.513 0.54 37.02 ? 334 LEU A HD22 1 ATOM 4889 H HD22 B LEU A 1 322 ? -30.264 4.919 -5.770 0.46 34.99 ? 334 LEU A HD22 1 ATOM 4890 H HD23 A LEU A 1 322 ? -30.491 4.003 -6.465 0.54 37.02 ? 334 LEU A HD23 1 ATOM 4891 H HD23 B LEU A 1 322 ? -30.888 5.751 -4.569 0.46 34.99 ? 334 LEU A HD23 1 ATOM 4892 N N . PHE A 1 323 ? -32.253 7.955 -4.190 1.00 24.64 ? 335 PHE A N 1 ATOM 4893 C CA . PHE A 1 323 ? -31.177 8.692 -3.542 1.00 24.76 ? 335 PHE A CA 1 ATOM 4894 C C . PHE A 1 323 ? -30.335 7.774 -2.666 1.00 25.85 ? 335 PHE A C 1 ATOM 4895 O O . PHE A 1 323 ? -30.828 6.817 -2.049 1.00 27.04 ? 335 PHE A O 1 ATOM 4896 C CB . PHE A 1 323 ? -31.688 9.858 -2.686 1.00 24.57 ? 335 PHE A CB 1 ATOM 4897 C CG . PHE A 1 323 ? -32.226 11.007 -3.491 1.00 24.23 ? 335 PHE A CG 1 ATOM 4898 C CD1 . PHE A 1 323 ? -33.557 11.037 -3.869 1.00 24.20 ? 335 PHE A CD1 1 ATOM 4899 C CD2 . PHE A 1 323 ? -31.395 12.036 -3.895 1.00 23.16 ? 335 PHE A CD2 1 ATOM 4900 C CE1 . PHE A 1 323 ? -34.065 12.089 -4.624 1.00 23.86 ? 335 PHE A CE1 1 ATOM 4901 C CE2 . PHE A 1 323 ? -31.881 13.087 -4.616 1.00 23.98 ? 335 PHE A CE2 1 ATOM 4902 C CZ . PHE A 1 323 ? -33.228 13.123 -4.988 1.00 23.64 ? 335 PHE A CZ 1 ATOM 4903 H H . PHE A 1 323 ? -32.883 7.719 -3.655 1.00 29.56 ? 335 PHE A H 1 ATOM 4904 H HA . PHE A 1 323 ? -30.597 9.061 -4.226 1.00 29.71 ? 335 PHE A HA 1 ATOM 4905 H HB2 . PHE A 1 323 ? -32.402 9.536 -2.114 1.00 29.48 ? 335 PHE A HB2 1 ATOM 4906 H HB3 . PHE A 1 323 ? -30.957 10.192 -2.143 1.00 29.48 ? 335 PHE A HB3 1 ATOM 4907 H HD1 . PHE A 1 323 ? -34.122 10.344 -3.611 1.00 29.04 ? 335 PHE A HD1 1 ATOM 4908 H HD2 . PHE A 1 323 ? -30.500 12.029 -3.642 1.00 27.80 ? 335 PHE A HD2 1 ATOM 4909 H HE1 . PHE A 1 323 ? -34.964 12.106 -4.862 1.00 28.63 ? 335 PHE A HE1 1 ATOM 4910 H HE2 . PHE A 1 323 ? -31.311 13.776 -4.873 1.00 28.77 ? 335 PHE A HE2 1 ATOM 4911 H HZ . PHE A 1 323 ? -33.553 13.831 -5.495 1.00 28.37 ? 335 PHE A HZ 1 ATOM 4912 N N . GLN A 1 324 ? -29.052 8.078 -2.616 1.00 26.61 ? 336 GLN A N 1 ATOM 4913 C CA . GLN A 1 324 ? -28.128 7.421 -1.705 1.00 27.40 ? 336 GLN A CA 1 ATOM 4914 C C . GLN A 1 324 ? -27.663 8.409 -0.647 1.00 27.18 ? 336 GLN A C 1 ATOM 4915 O O . GLN A 1 324 ? -27.392 9.570 -0.959 1.00 27.78 ? 336 GLN A O 1 ATOM 4916 C CB . GLN A 1 324 ? -26.923 6.899 -2.473 1.00 29.57 ? 336 GLN A CB 1 ATOM 4917 C CG . GLN A 1 324 ? -27.338 5.932 -3.547 1.00 33.12 ? 336 GLN A CG 1 ATOM 4918 C CD . GLN A 1 324 ? -26.175 5.263 -4.186 1.00 38.69 ? 336 GLN A CD 1 ATOM 4919 O OE1 . GLN A 1 324 ? -25.156 5.901 -4.476 1.00 40.76 ? 336 GLN A OE1 1 ATOM 4920 N NE2 . GLN A 1 324 ? -26.307 3.962 -4.425 1.00 42.20 ? 336 GLN A NE2 1 ATOM 4921 H H . GLN A 1 324 ? -28.682 8.676 -3.111 1.00 31.93 ? 336 GLN A H 1 ATOM 4922 H HA . GLN A 1 324 ? -28.569 6.676 -1.268 1.00 32.88 ? 336 GLN A HA 1 ATOM 4923 H HB2 . GLN A 1 324 ? -26.464 7.643 -2.893 1.00 35.48 ? 336 GLN A HB2 1 ATOM 4924 H HB3 . GLN A 1 324 ? -26.329 6.438 -1.861 1.00 35.48 ? 336 GLN A HB3 1 ATOM 4925 H HG2 . GLN A 1 324 ? -27.902 5.247 -3.156 1.00 39.74 ? 336 GLN A HG2 1 ATOM 4926 H HG3 . GLN A 1 324 ? -27.824 6.413 -4.235 1.00 39.74 ? 336 GLN A HG3 1 ATOM 4927 H HE21 . GLN A 1 324 ? -27.035 3.557 -4.212 1.00 50.64 ? 336 GLN A HE21 1 ATOM 4928 H HE22 . GLN A 1 324 ? -25.664 3.525 -4.794 1.00 50.64 ? 336 GLN A HE22 1 ATOM 4929 N N . TYR A 1 325 ? -27.563 7.943 0.605 1.00 27.35 ? 337 TYR A N 1 ATOM 4930 C CA . TYR A 1 325 ? -27.164 8.815 1.702 1.00 26.63 ? 337 TYR A CA 1 ATOM 4931 C C . TYR A 1 325 ? -26.285 8.059 2.692 1.00 27.86 ? 337 TYR A C 1 ATOM 4932 O O . TYR A 1 325 ? -26.255 6.820 2.715 1.00 28.21 ? 337 TYR A O 1 ATOM 4933 C CB . TYR A 1 325 ? -28.379 9.375 2.454 1.00 26.77 ? 337 TYR A CB 1 ATOM 4934 C CG . TYR A 1 325 ? -29.258 8.317 3.053 1.00 27.35 ? 337 TYR A CG 1 ATOM 4935 C CD1 . TYR A 1 325 ? -29.019 7.835 4.331 1.00 26.38 ? 337 TYR A CD1 1 ATOM 4936 C CD2 . TYR A 1 325 ? -30.310 7.779 2.338 1.00 27.63 ? 337 TYR A CD2 1 ATOM 4937 C CE1 . TYR A 1 325 ? -29.830 6.860 4.883 1.00 27.03 ? 337 TYR A CE1 1 ATOM 4938 C CE2 . TYR A 1 325 ? -31.119 6.810 2.881 1.00 27.66 ? 337 TYR A CE2 1 ATOM 4939 C CZ . TYR A 1 325 ? -30.876 6.359 4.140 1.00 27.06 ? 337 TYR A CZ 1 ATOM 4940 O OH . TYR A 1 325 ? -31.683 5.375 4.663 1.00 30.05 ? 337 TYR A OH 1 ATOM 4941 H H . TYR A 1 325 ? -27.721 7.130 0.838 1.00 32.82 ? 337 TYR A H 1 ATOM 4942 H HA . TYR A 1 325 ? -26.654 9.561 1.349 1.00 31.96 ? 337 TYR A HA 1 ATOM 4943 H HB2 . TYR A 1 325 ? -28.066 9.944 3.175 1.00 32.13 ? 337 TYR A HB2 1 ATOM 4944 H HB3 . TYR A 1 325 ? -28.917 9.893 1.836 1.00 32.13 ? 337 TYR A HB3 1 ATOM 4945 H HD1 . TYR A 1 325 ? -28.315 8.183 4.828 1.00 31.66 ? 337 TYR A HD1 1 ATOM 4946 H HD2 . TYR A 1 325 ? -30.484 8.089 1.478 1.00 33.16 ? 337 TYR A HD2 1 ATOM 4947 H HE1 . TYR A 1 325 ? -29.667 6.542 5.742 1.00 32.44 ? 337 TYR A HE1 1 ATOM 4948 H HE2 . TYR A 1 325 ? -31.826 6.460 2.387 1.00 33.19 ? 337 TYR A HE2 1 ATOM 4949 H HH . TYR A 1 325 ? -31.427 5.175 5.438 1.00 36.06 ? 337 TYR A HH 1 ATOM 4950 N N . LYS A 1 326 ? -25.575 8.825 3.522 1.00 28.74 ? 338 LYS A N 1 ATOM 4951 C CA . LYS A 1 326 ? -24.691 8.246 4.539 1.00 30.38 ? 338 LYS A CA 1 ATOM 4952 C C . LYS A 1 326 ? -25.533 7.722 5.696 1.00 32.16 ? 338 LYS A C 1 ATOM 4953 O O . LYS A 1 326 ? -26.279 8.503 6.298 1.00 32.05 ? 338 LYS A O 1 ATOM 4954 C CB . LYS A 1 326 ? -23.774 9.316 5.110 1.00 34.72 ? 338 LYS A CB 1 ATOM 4955 C CG . LYS A 1 326 ? -22.737 9.906 4.182 1.00 38.65 ? 338 LYS A CG 1 ATOM 4956 C CD . LYS A 1 326 ? -21.739 10.785 4.994 1.00 41.66 ? 338 LYS A CD 1 ATOM 4957 C CE . LYS A 1 326 ? -20.730 11.523 4.094 1.00 43.43 ? 338 LYS A CE 1 ATOM 4958 N NZ . LYS A 1 326 ? -19.660 12.173 4.916 1.00 45.51 ? 338 LYS A NZ 1 ATOM 4959 H H . LYS A 1 326 ? -25.587 9.685 3.517 1.00 34.49 ? 338 LYS A H 1 ATOM 4960 H HA . LYS A 1 326 ? -24.161 7.524 4.166 1.00 36.45 ? 338 LYS A HA 1 ATOM 4961 H HB2 . LYS A 1 326 ? -24.326 10.050 5.424 1.00 41.66 ? 338 LYS A HB2 1 ATOM 4962 H HB3 . LYS A 1 326 ? -23.297 8.933 5.863 1.00 41.66 ? 338 LYS A HB3 1 ATOM 4963 H HG2 . LYS A 1 326 ? -22.241 9.192 3.752 1.00 46.39 ? 338 LYS A HG2 1 ATOM 4964 H HG3 . LYS A 1 326 ? -23.174 10.465 3.520 1.00 46.39 ? 338 LYS A HG3 1 ATOM 4965 H HD2 . LYS A 1 326 ? -22.238 11.450 5.494 1.00 49.99 ? 338 LYS A HD2 1 ATOM 4966 H HD3 . LYS A 1 326 ? -21.240 10.217 5.602 1.00 49.99 ? 338 LYS A HD3 1 ATOM 4967 H HE2 . LYS A 1 326 ? -20.311 10.888 3.493 1.00 52.12 ? 338 LYS A HE2 1 ATOM 4968 H HE3 . LYS A 1 326 ? -21.191 12.212 3.591 1.00 52.12 ? 338 LYS A HE3 1 ATOM 4969 H HZ1 . LYS A 1 326 ? -19.084 12.595 4.385 1.00 54.61 ? 338 LYS A HZ1 1 ATOM 4970 H HZ2 . LYS A 1 326 ? -20.023 12.762 5.476 1.00 54.61 ? 338 LYS A HZ2 1 ATOM 4971 H HZ3 . LYS A 1 326 ? -19.222 11.557 5.387 1.00 54.61 ? 338 LYS A HZ3 1 ATOM 4972 N N . PRO A 1 327 ? -25.444 6.438 6.045 1.00 33.41 ? 339 PRO A N 1 ATOM 4973 C CA . PRO A 1 327 ? -26.252 5.920 7.148 1.00 36.66 ? 339 PRO A CA 1 ATOM 4974 C C . PRO A 1 327 ? -25.945 6.672 8.429 1.00 37.78 ? 339 PRO A C 1 ATOM 4975 O O . PRO A 1 327 ? -24.793 7.037 8.698 1.00 38.12 ? 339 PRO A O 1 ATOM 4976 C CB . PRO A 1 327 ? -25.815 4.452 7.242 1.00 37.85 ? 339 PRO A CB 1 ATOM 4977 C CG . PRO A 1 327 ? -25.372 4.115 5.873 1.00 37.55 ? 339 PRO A CG 1 ATOM 4978 C CD . PRO A 1 327 ? -24.696 5.360 5.370 1.00 36.14 ? 339 PRO A CD 1 ATOM 4979 H HA . PRO A 1 327 ? -27.199 5.974 6.944 1.00 43.99 ? 339 PRO A HA 1 ATOM 4980 H HB2 . PRO A 1 327 ? -25.083 4.366 7.873 1.00 45.42 ? 339 PRO A HB2 1 ATOM 4981 H HB3 . PRO A 1 327 ? -26.567 3.901 7.507 1.00 45.42 ? 339 PRO A HB3 1 ATOM 4982 H HG2 . PRO A 1 327 ? -24.748 3.373 5.904 1.00 45.06 ? 339 PRO A HG2 1 ATOM 4983 H HG3 . PRO A 1 327 ? -26.142 3.896 5.324 1.00 45.06 ? 339 PRO A HG3 1 ATOM 4984 H HD2 . PRO A 1 327 ? -23.764 5.372 5.640 1.00 43.37 ? 339 PRO A HD2 1 ATOM 4985 H HD3 . PRO A 1 327 ? -24.790 5.432 4.407 1.00 43.37 ? 339 PRO A HD3 1 ATOM 4986 N N . GLY A 1 328 ? -26.993 6.908 9.217 1.00 39.79 ? 340 GLY A N 1 ATOM 4987 C CA . GLY A 1 328 ? -26.840 7.554 10.498 1.00 41.13 ? 340 GLY A CA 1 ATOM 4988 C C . GLY A 1 328 ? -26.374 8.992 10.457 1.00 41.32 ? 340 GLY A C 1 ATOM 4989 O O . GLY A 1 328 ? -26.269 9.617 11.511 1.00 42.34 ? 340 GLY A O 1 ATOM 4990 H H . GLY A 1 328 ? -27.804 6.698 9.023 1.00 47.75 ? 340 GLY A H 1 ATOM 4991 H HA2 . GLY A 1 328 ? -27.692 7.532 10.961 1.00 49.36 ? 340 GLY A HA2 1 ATOM 4992 H HA3 . GLY A 1 328 ? -26.201 7.051 11.027 1.00 49.36 ? 340 GLY A HA3 1 ATOM 4993 N N . ASP A 1 329 ? -26.097 9.533 9.303 1.00 39.92 ? 341 ASP A N 1 ATOM 4994 C CA . ASP A 1 329 ? -25.679 10.922 9.146 1.00 37.85 ? 341 ASP A CA 1 ATOM 4995 C C . ASP A 1 329 ? -26.572 11.680 8.157 1.00 34.46 ? 341 ASP A C 1 ATOM 4996 O O . ASP A 1 329 ? -26.865 12.869 8.361 1.00 33.69 ? 341 ASP A O 1 ATOM 4997 C CB . ASP A 1 329 ? -24.240 10.828 8.666 1.00 40.61 ? 341 ASP A CB 1 ATOM 4998 C CG . ASP A 1 329 ? -23.705 12.137 8.124 1.00 41.24 ? 341 ASP A CG 1 ATOM 4999 O OD1 . ASP A 1 329 ? -24.011 12.416 6.982 1.00 39.59 ? 341 ASP A OD1 1 ATOM 5000 O OD2 . ASP A 1 329 ? -22.955 12.858 8.825 1.00 43.22 ? 341 ASP A OD2 1 ATOM 5001 H H . ASP A 1 329 ? -26.142 9.107 8.557 1.00 47.90 ? 341 ASP A H 1 ATOM 5002 H HA . ASP A 1 329 ? -25.699 11.375 10.003 1.00 45.42 ? 341 ASP A HA 1 ATOM 5003 H HB2 . ASP A 1 329 ? -23.677 10.561 9.410 1.00 48.73 ? 341 ASP A HB2 1 ATOM 5004 H HB3 . ASP A 1 329 ? -24.187 10.167 7.958 1.00 48.73 ? 341 ASP A HB3 1 ATOM 5005 N N . TYR A 1 330 ? -27.034 11.014 7.101 1.00 31.85 ? 342 TYR A N 1 ATOM 5006 C CA . TYR A 1 330 ? -28.100 11.467 6.214 1.00 30.26 ? 342 TYR A CA 1 ATOM 5007 C C . TYR A 1 330 ? -27.633 12.493 5.184 1.00 29.15 ? 342 TYR A C 1 ATOM 5008 O O . TYR A 1 330 ? -28.460 12.963 4.404 1.00 29.03 ? 342 TYR A O 1 ATOM 5009 C CB . TYR A 1 330 ? -29.389 11.864 6.959 1.00 29.45 ? 342 TYR A CB 1 ATOM 5010 C CG . TYR A 1 330 ? -29.746 10.738 7.904 1.00 28.82 ? 342 TYR A CG 1 ATOM 5011 C CD1 . TYR A 1 330 ? -30.075 9.489 7.404 1.00 29.55 ? 342 TYR A CD1 1 ATOM 5012 C CD2 . TYR A 1 330 ? -29.632 10.879 9.271 1.00 30.00 ? 342 TYR A CD2 1 ATOM 5013 C CE1 . TYR A 1 330 ? -30.339 8.428 8.236 1.00 29.77 ? 342 TYR A CE1 1 ATOM 5014 C CE2 . TYR A 1 330 ? -29.894 9.804 10.126 1.00 30.18 ? 342 TYR A CE2 1 ATOM 5015 C CZ . TYR A 1 330 ? -30.236 8.581 9.596 1.00 30.34 ? 342 TYR A CZ 1 ATOM 5016 O OH . TYR A 1 330 ? -30.506 7.505 10.411 1.00 31.26 ? 342 TYR A OH 1 ATOM 5017 H H . TYR A 1 330 ? -26.722 10.247 6.868 1.00 38.22 ? 342 TYR A H 1 ATOM 5018 H HA . TYR A 1 330 ? -28.350 10.691 5.689 1.00 36.32 ? 342 TYR A HA 1 ATOM 5019 H HB2 . TYR A 1 330 ? -29.239 12.672 7.474 1.00 35.34 ? 342 TYR A HB2 1 ATOM 5020 H HB3 . TYR A 1 330 ? -30.113 11.986 6.325 1.00 35.34 ? 342 TYR A HB3 1 ATOM 5021 H HD1 . TYR A 1 330 ? -30.134 9.370 6.484 1.00 35.46 ? 342 TYR A HD1 1 ATOM 5022 H HD2 . TYR A 1 330 ? -29.387 11.702 9.630 1.00 35.99 ? 342 TYR A HD2 1 ATOM 5023 H HE1 . TYR A 1 330 ? -30.572 7.603 7.877 1.00 35.72 ? 342 TYR A HE1 1 ATOM 5024 H HE2 . TYR A 1 330 ? -29.830 9.912 11.047 1.00 36.22 ? 342 TYR A HE2 1 ATOM 5025 H HH . TYR A 1 330 ? -30.408 7.722 11.216 1.00 37.51 ? 342 TYR A HH 1 ATOM 5026 N N . THR A 1 331 ? -26.336 12.799 5.118 1.00 30.05 ? 343 THR A N 1 ATOM 5027 C CA . THR A 1 331 ? -25.781 13.557 3.999 1.00 30.79 ? 343 THR A CA 1 ATOM 5028 C C . THR A 1 331 ? -26.040 12.823 2.687 1.00 29.36 ? 343 THR A C 1 ATOM 5029 O O . THR A 1 331 ? -25.802 11.613 2.583 1.00 29.45 ? 343 THR A O 1 ATOM 5030 C CB . THR A 1 331 ? -24.269 13.727 4.190 1.00 33.00 ? 343 THR A CB 1 ATOM 5031 O OG1 . THR A 1 331 ? -24.009 14.455 5.384 1.00 35.13 ? 343 THR A OG1 1 ATOM 5032 C CG2 . THR A 1 331 ? -23.658 14.511 3.015 1.00 34.53 ? 343 THR A CG2 1 ATOM 5033 H H . THR A 1 331 ? -25.754 12.577 5.712 1.00 36.06 ? 343 THR A H 1 ATOM 5034 H HA . THR A 1 331 ? -26.194 14.434 3.956 1.00 36.95 ? 343 THR A HA 1 ATOM 5035 H HB . THR A 1 331 ? -23.845 12.856 4.238 1.00 39.60 ? 343 THR A HB 1 ATOM 5036 H HG1 . THR A 1 331 ? -24.323 14.043 6.046 1.00 42.16 ? 343 THR A HG1 1 ATOM 5037 H HG21 . THR A 1 331 ? -22.702 14.612 3.147 1.00 41.43 ? 343 THR A HG21 1 ATOM 5038 H HG22 . THR A 1 331 ? -23.813 14.037 2.184 1.00 41.43 ? 343 THR A HG22 1 ATOM 5039 H HG23 . THR A 1 331 ? -24.063 15.390 2.957 1.00 41.43 ? 343 THR A HG23 1 ATOM 5040 N N . LEU A 1 332 ? -26.514 13.554 1.672 1.00 27.50 ? 344 LEU A N 1 ATOM 5041 C CA . LEU A 1 332 ? -26.794 12.951 0.366 1.00 27.25 ? 344 LEU A CA 1 ATOM 5042 C C . LEU A 1 332 ? -25.531 12.692 -0.440 1.00 27.71 ? 344 LEU A C 1 ATOM 5043 O O . LEU A 1 332 ? -24.732 13.603 -0.699 1.00 28.24 ? 344 LEU A O 1 ATOM 5044 C CB . LEU A 1 332 ? -27.736 13.835 -0.448 1.00 26.92 ? 344 LEU A CB 1 ATOM 5045 C CG . LEU A 1 332 ? -29.109 14.032 0.215 1.00 26.18 ? 344 LEU A CG 1 ATOM 5046 C CD1 . LEU A 1 332 ? -29.877 15.158 -0.440 1.00 26.88 ? 344 LEU A CD1 1 ATOM 5047 C CD2 . LEU A 1 332 ? -29.958 12.735 0.183 1.00 27.76 ? 344 LEU A CD2 1 ATOM 5048 H H . LEU A 1 332 ? -26.681 14.396 1.715 1.00 33.00 ? 344 LEU A H 1 ATOM 5049 H HA . LEU A 1 332 ? -27.235 12.098 0.505 1.00 32.70 ? 344 LEU A HA 1 ATOM 5050 H HB2 . LEU A 1 332 ? -27.330 14.709 -0.558 1.00 32.30 ? 344 LEU A HB2 1 ATOM 5051 H HB3 . LEU A 1 332 ? -27.880 13.426 -1.315 1.00 32.30 ? 344 LEU A HB3 1 ATOM 5052 H HG . LEU A 1 332 ? -28.973 14.272 1.145 1.00 31.42 ? 344 LEU A HG 1 ATOM 5053 H HD11 . LEU A 1 332 ? -30.735 15.254 0.003 1.00 32.26 ? 344 LEU A HD11 1 ATOM 5054 H HD12 . LEU A 1 332 ? -29.367 15.979 -0.355 1.00 32.26 ? 344 LEU A HD12 1 ATOM 5055 H HD13 . LEU A 1 332 ? -30.009 14.946 -1.377 1.00 32.26 ? 344 LEU A HD13 1 ATOM 5056 H HD21 . LEU A 1 332 ? -30.811 12.906 0.611 1.00 33.31 ? 344 LEU A HD21 1 ATOM 5057 H HD22 . LEU A 1 332 ? -30.096 12.471 -0.740 1.00 33.31 ? 344 LEU A HD22 1 ATOM 5058 H HD23 . LEU A 1 332 ? -29.483 12.036 0.660 1.00 33.31 ? 344 LEU A HD23 1 ATOM 5059 N N . LEU A 1 333 ? -25.382 11.446 -0.882 1.00 27.67 ? 345 LEU A N 1 ATOM 5060 C CA . LEU A 1 333 ? -24.206 11.028 -1.625 1.00 28.44 ? 345 LEU A CA 1 ATOM 5061 C C . LEU A 1 333 ? -24.425 10.954 -3.120 1.00 29.77 ? 345 LEU A C 1 ATOM 5062 O O . LEU A 1 333 ? -23.469 11.160 -3.868 1.00 29.86 ? 345 LEU A O 1 ATOM 5063 C CB . LEU A 1 333 ? -23.759 9.643 -1.151 1.00 30.27 ? 345 LEU A CB 1 ATOM 5064 C CG . LEU A 1 333 ? -23.420 9.573 0.332 1.00 33.34 ? 345 LEU A CG 1 ATOM 5065 C CD1 . LEU A 1 333 ? -23.107 8.150 0.743 1.00 34.14 ? 345 LEU A CD1 1 ATOM 5066 C CD2 . LEU A 1 333 ? -22.247 10.460 0.581 1.00 35.17 ? 345 LEU A CD2 1 ATOM 5067 H H . LEU A 1 333 ? -25.959 10.819 -0.762 1.00 33.20 ? 345 LEU A H 1 ATOM 5068 H HA . LEU A 1 333 ? -23.484 11.654 -1.455 1.00 34.12 ? 345 LEU A HA 1 ATOM 5069 H HB2 . LEU A 1 333 ? -24.474 9.009 -1.321 1.00 36.33 ? 345 LEU A HB2 1 ATOM 5070 H HB3 . LEU A 1 333 ? -22.967 9.384 -1.648 1.00 36.33 ? 345 LEU A HB3 1 ATOM 5071 H HG . LEU A 1 333 ? -24.171 9.892 0.856 1.00 40.01 ? 345 LEU A HG 1 ATOM 5072 H HD11 . LEU A 1 333 ? -22.896 8.135 1.690 1.00 40.97 ? 345 LEU A HD11 1 ATOM 5073 H HD12 . LEU A 1 333 ? -23.883 7.594 0.568 1.00 40.97 ? 345 LEU A HD12 1 ATOM 5074 H HD13 . LEU A 1 333 ? -22.349 7.832 0.229 1.00 40.97 ? 345 LEU A HD13 1 ATOM 5075 H HD21 . LEU A 1 333 ? -22.020 10.426 1.524 1.00 42.21 ? 345 LEU A HD21 1 ATOM 5076 H HD22 . LEU A 1 333 ? -21.498 10.151 0.048 1.00 42.21 ? 345 LEU A HD22 1 ATOM 5077 H HD23 . LEU A 1 333 ? -22.480 11.368 0.330 1.00 42.21 ? 345 LEU A HD23 1 ATOM 5078 N N . ASP A 1 334 ? -25.627 10.609 -3.575 1.00 29.32 ? 346 ASP A N 1 ATOM 5079 C CA . ASP A 1 334 ? -25.852 10.460 -5.002 1.00 28.20 ? 346 ASP A CA 1 ATOM 5080 C C . ASP A 1 334 ? -27.340 10.380 -5.273 1.00 27.35 ? 346 ASP A C 1 ATOM 5081 O O . ASP A 1 334 ? -28.165 10.263 -4.360 1.00 27.72 ? 346 ASP A O 1 ATOM 5082 C CB . ASP A 1 334 ? -25.179 9.191 -5.550 1.00 27.98 ? 346 ASP A CB 1 ATOM 5083 C CG . ASP A 1 334 ? -24.487 9.426 -6.871 1.00 30.09 ? 346 ASP A CG 1 ATOM 5084 O OD1 . ASP A 1 334 ? -24.928 10.337 -7.613 1.00 28.71 ? 346 ASP A OD1 1 ATOM 5085 O OD2 . ASP A 1 334 ? -23.482 8.719 -7.138 1.00 32.20 ? 346 ASP A OD2 1 ATOM 5086 H H . ASP A 1 334 ? -26.317 10.459 -3.084 1.00 35.18 ? 346 ASP A H 1 ATOM 5087 H HA . ASP A 1 334 ? -25.492 11.229 -5.471 1.00 33.84 ? 346 ASP A HA 1 ATOM 5088 H HB2 . ASP A 1 334 ? -24.514 8.885 -4.913 1.00 33.58 ? 346 ASP A HB2 1 ATOM 5089 H HB3 . ASP A 1 334 ? -25.853 8.507 -5.681 1.00 33.58 ? 346 ASP A HB3 1 ATOM 5090 N N . MET A 1 335 ? -27.659 10.438 -6.556 1.00 26.61 ? 347 MET A N 1 ATOM 5091 C CA A MET A 1 335 ? -29.018 10.266 -7.047 0.50 26.27 ? 347 MET A CA 1 ATOM 5092 C CA B MET A 1 335 ? -29.014 10.256 -7.044 0.50 26.22 ? 347 MET A CA 1 ATOM 5093 C C . MET A 1 335 ? -28.940 9.485 -8.348 1.00 26.25 ? 347 MET A C 1 ATOM 5094 O O . MET A 1 335 ? -28.108 9.789 -9.210 1.00 27.66 ? 347 MET A O 1 ATOM 5095 C CB A MET A 1 335 ? -29.692 11.624 -7.291 0.50 26.46 ? 347 MET A CB 1 ATOM 5096 C CB B MET A 1 335 ? -29.684 11.599 -7.299 0.50 26.29 ? 347 MET A CB 1 ATOM 5097 C CG A MET A 1 335 ? -31.188 11.534 -7.582 0.50 27.22 ? 347 MET A CG 1 ATOM 5098 C CG B MET A 1 335 ? -31.121 11.450 -7.712 0.50 26.94 ? 347 MET A CG 1 ATOM 5099 S SD A MET A 1 335 ? -31.622 11.336 -9.310 0.50 26.87 ? 347 MET A SD 1 ATOM 5100 S SD B MET A 1 335 ? -31.703 12.973 -8.390 0.50 26.72 ? 347 MET A SD 1 ATOM 5101 C CE A MET A 1 335 ? -31.289 12.985 -9.929 0.50 26.80 ? 347 MET A CE 1 ATOM 5102 C CE B MET A 1 335 ? -31.069 12.806 -10.068 0.50 26.42 ? 347 MET A CE 1 ATOM 5103 H H . MET A 1 335 ? -27.086 10.583 -7.180 1.00 31.93 ? 347 MET A H 1 ATOM 5104 H HA . MET A 1 335 ? -29.539 9.765 -6.396 1.00 31.46 ? 347 MET A HA 1 ATOM 5105 H HB2 A MET A 1 335 ? -29.577 12.175 -6.502 0.50 31.76 ? 347 MET A HB2 1 ATOM 5106 H HB2 B MET A 1 335 ? -29.657 12.127 -6.485 0.50 31.54 ? 347 MET A HB2 1 ATOM 5107 H HB3 A MET A 1 335 ? -29.268 12.049 -8.053 0.50 31.76 ? 347 MET A HB3 1 ATOM 5108 H HB3 B MET A 1 335 ? -29.212 12.059 -8.010 0.50 31.54 ? 347 MET A HB3 1 ATOM 5109 H HG2 A MET A 1 335 ? -31.549 10.773 -7.101 0.50 32.66 ? 347 MET A HG2 1 ATOM 5110 H HG2 B MET A 1 335 ? -31.195 10.761 -8.389 0.50 32.33 ? 347 MET A HG2 1 ATOM 5111 H HG3 A MET A 1 335 ? -31.611 12.348 -7.267 0.50 32.66 ? 347 MET A HG3 1 ATOM 5112 H HG3 B MET A 1 335 ? -31.661 11.229 -6.937 0.50 32.33 ? 347 MET A HG3 1 ATOM 5113 H HE1 A MET A 1 335 ? -31.489 13.012 -10.878 0.50 32.15 ? 347 MET A HE1 1 ATOM 5114 H HE1 B MET A 1 335 ? -31.318 13.592 -10.579 0.50 31.71 ? 347 MET A HE1 1 ATOM 5115 H HE2 A MET A 1 335 ? -31.849 13.619 -9.454 0.50 32.15 ? 347 MET A HE2 1 ATOM 5116 H HE2 B MET A 1 335 ? -30.103 12.725 -10.033 0.50 31.71 ? 347 MET A HE2 1 ATOM 5117 H HE3 A MET A 1 335 ? -30.354 13.194 -9.781 0.50 32.15 ? 347 MET A HE3 1 ATOM 5118 H HE3 B MET A 1 335 ? -31.454 12.013 -10.473 0.50 31.71 ? 347 MET A HE3 1 ATOM 5119 N N . VAL A 1 336 ? -29.803 8.490 -8.491 1.00 25.89 ? 348 VAL A N 1 ATOM 5120 C CA . VAL A 1 336 ? -29.884 7.687 -9.702 1.00 25.84 ? 348 VAL A CA 1 ATOM 5121 C C . VAL A 1 336 ? -31.256 7.937 -10.278 1.00 24.66 ? 348 VAL A C 1 ATOM 5122 O O . VAL A 1 336 ? -32.264 7.686 -9.611 1.00 25.60 ? 348 VAL A O 1 ATOM 5123 C CB . VAL A 1 336 ? -29.703 6.196 -9.403 1.00 27.73 ? 348 VAL A CB 1 ATOM 5124 C CG1 . VAL A 1 336 ? -29.788 5.340 -10.707 1.00 28.61 ? 348 VAL A CG1 1 ATOM 5125 C CG2 . VAL A 1 336 ? -28.413 5.976 -8.597 1.00 28.99 ? 348 VAL A CG2 1 ATOM 5126 H H . VAL A 1 336 ? -30.367 8.255 -7.885 1.00 31.06 ? 348 VAL A H 1 ATOM 5127 H HA . VAL A 1 336 ? -29.211 7.971 -10.340 1.00 31.01 ? 348 VAL A HA 1 ATOM 5128 H HB . VAL A 1 336 ? -30.439 5.916 -8.836 1.00 33.28 ? 348 VAL A HB 1 ATOM 5129 H HG11 . VAL A 1 336 ? -29.669 4.404 -10.478 1.00 34.33 ? 348 VAL A HG11 1 ATOM 5130 H HG12 . VAL A 1 336 ? -30.657 5.473 -11.116 1.00 34.33 ? 348 VAL A HG12 1 ATOM 5131 H HG13 . VAL A 1 336 ? -29.089 5.623 -11.316 1.00 34.33 ? 348 VAL A HG13 1 ATOM 5132 H HG21 . VAL A 1 336 ? -28.312 5.028 -8.416 1.00 34.78 ? 348 VAL A HG21 1 ATOM 5133 H HG22 . VAL A 1 336 ? -27.659 6.296 -9.116 1.00 34.78 ? 348 VAL A HG22 1 ATOM 5134 H HG23 . VAL A 1 336 ? -28.474 6.468 -7.764 1.00 34.78 ? 348 VAL A HG23 1 ATOM 5135 N N . GLN A 1 337 ? -31.301 8.415 -11.509 1.00 24.59 ? 349 GLN A N 1 ATOM 5136 C CA . GLN A 1 337 ? -32.557 8.727 -12.163 1.00 24.99 ? 349 GLN A CA 1 ATOM 5137 C C . GLN A 1 337 ? -32.844 7.608 -13.142 1.00 25.43 ? 349 GLN A C 1 ATOM 5138 O O . GLN A 1 337 ? -32.014 7.321 -14.019 1.00 25.76 ? 349 GLN A O 1 ATOM 5139 C CB . GLN A 1 337 ? -32.461 10.046 -12.930 1.00 25.47 ? 349 GLN A CB 1 ATOM 5140 C CG . GLN A 1 337 ? -33.747 10.399 -13.686 1.00 25.83 ? 349 GLN A CG 1 ATOM 5141 C CD . GLN A 1 337 ? -34.890 10.736 -12.736 1.00 25.50 ? 349 GLN A CD 1 ATOM 5142 O OE1 . GLN A 1 337 ? -34.774 11.606 -11.874 1.00 25.15 ? 349 GLN A OE1 1 ATOM 5143 N NE2 . GLN A 1 337 ? -36.002 10.043 -12.891 1.00 25.15 ? 349 GLN A NE2 1 ATOM 5144 H H . GLN A 1 337 ? -30.608 8.569 -11.993 1.00 29.51 ? 349 GLN A H 1 ATOM 5145 H HA . GLN A 1 337 ? -33.275 8.781 -11.513 1.00 29.99 ? 349 GLN A HA 1 ATOM 5146 H HB2 . GLN A 1 337 ? -32.277 10.762 -12.302 1.00 30.57 ? 349 GLN A HB2 1 ATOM 5147 H HB3 . GLN A 1 337 ? -31.742 9.981 -13.578 1.00 30.57 ? 349 GLN A HB3 1 ATOM 5148 H HG2 . GLN A 1 337 ? -33.584 11.171 -14.249 1.00 31.00 ? 349 GLN A HG2 1 ATOM 5149 H HG3 . GLN A 1 337 ? -34.017 9.641 -14.227 1.00 31.00 ? 349 GLN A HG3 1 ATOM 5150 H HE21 . GLN A 1 337 ? -36.050 9.440 -13.503 1.00 30.18 ? 349 GLN A HE21 1 ATOM 5151 H HE22 . GLN A 1 337 ? -36.677 10.194 -12.381 1.00 30.18 ? 349 GLN A HE22 1 ATOM 5152 N N . TYR A 1 338 ? -34.003 6.975 -12.997 1.00 24.87 ? 350 TYR A N 1 ATOM 5153 C CA . TYR A 1 338 ? -34.446 5.965 -13.943 1.00 24.69 ? 350 TYR A CA 1 ATOM 5154 C C . TYR A 1 338 ? -35.547 6.541 -14.824 1.00 24.86 ? 350 TYR A C 1 ATOM 5155 O O . TYR A 1 338 ? -36.204 7.524 -14.467 1.00 25.17 ? 350 TYR A O 1 ATOM 5156 C CB . TYR A 1 338 ? -34.972 4.725 -13.230 1.00 24.90 ? 350 TYR A CB 1 ATOM 5157 C CG . TYR A 1 338 ? -33.924 4.027 -12.364 1.00 25.49 ? 350 TYR A CG 1 ATOM 5158 C CD1 . TYR A 1 338 ? -33.081 3.050 -12.899 1.00 27.65 ? 350 TYR A CD1 1 ATOM 5159 C CD2 . TYR A 1 338 ? -33.786 4.334 -11.017 1.00 25.72 ? 350 TYR A CD2 1 ATOM 5160 C CE1 . TYR A 1 338 ? -32.138 2.408 -12.130 1.00 28.62 ? 350 TYR A CE1 1 ATOM 5161 C CE2 . TYR A 1 338 ? -32.844 3.693 -10.239 1.00 27.09 ? 350 TYR A CE2 1 ATOM 5162 C CZ . TYR A 1 338 ? -32.025 2.721 -10.802 1.00 29.87 ? 350 TYR A CZ 1 ATOM 5163 O OH . TYR A 1 338 ? -31.089 2.068 -10.029 1.00 32.16 ? 350 TYR A OH 1 ATOM 5164 H H . TYR A 1 338 ? -34.554 7.115 -12.352 1.00 29.85 ? 350 TYR A H 1 ATOM 5165 H HA . TYR A 1 338 ? -33.703 5.703 -14.509 1.00 29.62 ? 350 TYR A HA 1 ATOM 5166 H HB2 . TYR A 1 338 ? -35.709 4.984 -12.654 1.00 29.88 ? 350 TYR A HB2 1 ATOM 5167 H HB3 . TYR A 1 338 ? -35.280 4.089 -13.894 1.00 29.88 ? 350 TYR A HB3 1 ATOM 5168 H HD1 . TYR A 1 338 ? -33.158 2.828 -13.799 1.00 33.18 ? 350 TYR A HD1 1 ATOM 5169 H HD2 . TYR A 1 338 ? -34.336 4.979 -10.634 1.00 30.87 ? 350 TYR A HD2 1 ATOM 5170 H HE1 . TYR A 1 338 ? -31.591 1.757 -12.506 1.00 34.34 ? 350 TYR A HE1 1 ATOM 5171 H HE2 . TYR A 1 338 ? -32.764 3.903 -9.337 1.00 32.51 ? 350 TYR A HE2 1 ATOM 5172 H HH . TYR A 1 338 ? -30.665 1.514 -10.498 1.00 38.60 ? 350 TYR A HH 1 ATOM 5173 N N . TYR A 1 339 ? -35.757 5.917 -15.978 1.00 25.13 ? 351 TYR A N 1 ATOM 5174 C CA . TYR A 1 339 ? -36.812 6.389 -16.865 1.00 24.55 ? 351 TYR A CA 1 ATOM 5175 C C . TYR A 1 339 ? -37.328 5.278 -17.756 1.00 25.21 ? 351 TYR A C 1 ATOM 5176 O O . TYR A 1 339 ? -36.724 4.215 -17.889 1.00 25.99 ? 351 TYR A O 1 ATOM 5177 C CB . TYR A 1 339 ? -36.329 7.520 -17.765 1.00 25.55 ? 351 TYR A CB 1 ATOM 5178 C CG . TYR A 1 339 ? -35.492 7.142 -18.995 1.00 25.93 ? 351 TYR A CG 1 ATOM 5179 C CD1 . TYR A 1 339 ? -34.248 6.548 -18.870 1.00 26.33 ? 351 TYR A CD1 1 ATOM 5180 C CD2 . TYR A 1 339 ? -35.921 7.487 -20.286 1.00 27.54 ? 351 TYR A CD2 1 ATOM 5181 C CE1 . TYR A 1 339 ? -33.466 6.263 -19.978 1.00 26.94 ? 351 TYR A CE1 1 ATOM 5182 C CE2 . TYR A 1 339 ? -35.153 7.216 -21.386 1.00 28.81 ? 351 TYR A CE2 1 ATOM 5183 C CZ . TYR A 1 339 ? -33.927 6.585 -21.236 1.00 28.16 ? 351 TYR A CZ 1 ATOM 5184 O OH . TYR A 1 339 ? -33.154 6.360 -22.342 1.00 30.14 ? 351 TYR A OH 1 ATOM 5185 H H . TYR A 1 339 ? -35.316 5.236 -16.265 1.00 30.16 ? 351 TYR A H 1 ATOM 5186 H HA . TYR A 1 339 ? -37.552 6.720 -16.333 1.00 29.45 ? 351 TYR A HA 1 ATOM 5187 H HB2 . TYR A 1 339 ? -37.108 7.999 -18.088 1.00 30.66 ? 351 TYR A HB2 1 ATOM 5188 H HB3 . TYR A 1 339 ? -35.788 8.120 -17.227 1.00 30.66 ? 351 TYR A HB3 1 ATOM 5189 H HD1 . TYR A 1 339 ? -33.933 6.325 -18.024 1.00 31.60 ? 351 TYR A HD1 1 ATOM 5190 H HD2 . TYR A 1 339 ? -36.743 7.907 -20.396 1.00 33.05 ? 351 TYR A HD2 1 ATOM 5191 H HE1 . TYR A 1 339 ? -32.636 5.855 -19.874 1.00 32.32 ? 351 TYR A HE1 1 ATOM 5192 H HE2 . TYR A 1 339 ? -35.459 7.443 -22.234 1.00 34.57 ? 351 TYR A HE2 1 ATOM 5193 H HH . TYR A 1 339 ? -32.419 6.021 -22.115 1.00 36.16 ? 351 TYR A HH 1 ATOM 5194 N N . LEU A 1 340 ? -38.468 5.552 -18.372 1.00 25.73 ? 352 LEU A N 1 ATOM 5195 C CA . LEU A 1 340 ? -39.033 4.694 -19.392 1.00 24.44 ? 352 LEU A CA 1 ATOM 5196 C C . LEU A 1 340 ? -39.004 5.441 -20.712 1.00 24.86 ? 352 LEU A C 1 ATOM 5197 O O . LEU A 1 340 ? -39.568 6.540 -20.820 1.00 25.19 ? 352 LEU A O 1 ATOM 5198 C CB . LEU A 1 340 ? -40.481 4.354 -19.053 1.00 25.23 ? 352 LEU A CB 1 ATOM 5199 C CG . LEU A 1 340 ? -41.092 3.348 -20.038 1.00 25.90 ? 352 LEU A CG 1 ATOM 5200 C CD1 . LEU A 1 340 ? -40.399 2.005 -19.917 1.00 26.72 ? 352 LEU A CD1 1 ATOM 5201 C CD2 . LEU A 1 340 ? -42.583 3.192 -19.779 1.00 25.75 ? 352 LEU A CD2 1 ATOM 5202 H H . LEU A 1 340 ? -38.943 6.251 -18.211 1.00 30.88 ? 352 LEU A H 1 ATOM 5203 H HA . LEU A 1 340 ? -38.518 3.875 -19.471 1.00 29.33 ? 352 LEU A HA 1 ATOM 5204 H HB2 . LEU A 1 340 ? -40.517 3.966 -18.164 1.00 30.28 ? 352 LEU A HB2 1 ATOM 5205 H HB3 . LEU A 1 340 ? -41.013 5.165 -19.083 1.00 30.28 ? 352 LEU A HB3 1 ATOM 5206 H HG . LEU A 1 340 ? -40.972 3.672 -20.944 1.00 31.08 ? 352 LEU A HG 1 ATOM 5207 H HD11 . LEU A 1 340 ? -40.800 1.386 -20.548 1.00 32.07 ? 352 LEU A HD11 1 ATOM 5208 H HD12 . LEU A 1 340 ? -39.457 2.117 -20.118 1.00 32.07 ? 352 LEU A HD12 1 ATOM 5209 H HD13 . LEU A 1 340 ? -40.509 1.673 -19.012 1.00 32.07 ? 352 LEU A HD13 1 ATOM 5210 H HD21 . LEU A 1 340 ? -42.947 2.553 -20.411 1.00 30.90 ? 352 LEU A HD21 1 ATOM 5211 H HD22 . LEU A 1 340 ? -42.714 2.874 -18.873 1.00 30.90 ? 352 LEU A HD22 1 ATOM 5212 H HD23 . LEU A 1 340 ? -43.014 4.054 -19.893 1.00 30.90 ? 352 LEU A HD23 1 ATOM 5213 N N . ASN A 1 341 ? -38.383 4.838 -21.727 1.00 26.41 ? 353 ASN A N 1 ATOM 5214 C CA . ASN A 1 341 ? -38.495 5.370 -23.074 1.00 26.94 ? 353 ASN A CA 1 ATOM 5215 C C . ASN A 1 341 ? -39.887 5.003 -23.581 1.00 26.26 ? 353 ASN A C 1 ATOM 5216 O O . ASN A 1 341 ? -40.144 3.867 -23.981 1.00 26.97 ? 353 ASN A O 1 ATOM 5217 C CB . ASN A 1 341 ? -37.405 4.798 -23.963 1.00 28.34 ? 353 ASN A CB 1 ATOM 5218 C CG . ASN A 1 341 ? -37.438 5.390 -25.337 1.00 30.32 ? 353 ASN A CG 1 ATOM 5219 O OD1 . ASN A 1 341 ? -38.502 5.723 -25.852 1.00 30.06 ? 353 ASN A OD1 1 ATOM 5220 N ND2 . ASN A 1 341 ? -36.273 5.539 -25.939 1.00 32.33 ? 353 ASN A ND2 1 ATOM 5221 H H . ASN A 1 341 ? -37.899 4.130 -21.659 1.00 31.69 ? 353 ASN A H 1 ATOM 5222 H HA . ASN A 1 341 ? -38.411 6.337 -23.056 1.00 32.33 ? 353 ASN A HA 1 ATOM 5223 H HB2 . ASN A 1 341 ? -36.540 4.992 -23.570 1.00 34.01 ? 353 ASN A HB2 1 ATOM 5224 H HB3 . ASN A 1 341 ? -37.530 3.840 -24.043 1.00 34.01 ? 353 ASN A HB3 1 ATOM 5225 H HD21 . ASN A 1 341 ? -35.546 5.309 -25.542 1.00 38.80 ? 353 ASN A HD21 1 ATOM 5226 N N . LEU A 1 342 ? -40.810 5.953 -23.498 1.00 25.77 ? 354 LEU A N 1 ATOM 5227 C CA . LEU A 1 342 ? -42.216 5.656 -23.767 1.00 25.60 ? 354 LEU A CA 1 ATOM 5228 C C . LEU A 1 342 ? -42.439 5.198 -25.208 1.00 25.42 ? 354 LEU A C 1 ATOM 5229 O O . LEU A 1 342 ? -43.164 4.227 -25.449 1.00 26.65 ? 354 LEU A O 1 ATOM 5230 C CB . LEU A 1 342 ? -43.082 6.870 -23.446 1.00 26.92 ? 354 LEU A CB 1 ATOM 5231 C CG . LEU A 1 342 ? -44.594 6.660 -23.601 1.00 27.59 ? 354 LEU A CG 1 ATOM 5232 C CD1 . LEU A 1 342 ? -45.079 5.570 -22.697 1.00 27.95 ? 354 LEU A CD1 1 ATOM 5233 C CD2 . LEU A 1 342 ? -45.336 7.942 -23.291 1.00 28.18 ? 354 LEU A CD2 1 ATOM 5234 H H . LEU A 1 342 ? -40.653 6.773 -23.290 1.00 30.92 ? 354 LEU A H 1 ATOM 5235 H HA . LEU A 1 342 ? -42.496 4.933 -23.184 1.00 30.71 ? 354 LEU A HA 1 ATOM 5236 H HB2 . LEU A 1 342 ? -42.917 7.130 -22.526 1.00 32.30 ? 354 LEU A HB2 1 ATOM 5237 H HB3 . LEU A 1 342 ? -42.827 7.595 -24.038 1.00 32.30 ? 354 LEU A HB3 1 ATOM 5238 H HG . LEU A 1 342 ? -44.791 6.407 -24.517 1.00 33.11 ? 354 LEU A HG 1 ATOM 5239 H HD11 . LEU A 1 342 ? -46.035 5.462 -22.818 1.00 33.54 ? 354 LEU A HD11 1 ATOM 5240 H HD12 . LEU A 1 342 ? -44.621 4.746 -22.923 1.00 33.54 ? 354 LEU A HD12 1 ATOM 5241 H HD13 . LEU A 1 342 ? -44.887 5.814 -21.778 1.00 33.54 ? 354 LEU A HD13 1 ATOM 5242 H HD21 . LEU A 1 342 ? -46.289 7.788 -23.395 1.00 33.81 ? 354 LEU A HD21 1 ATOM 5243 H HD22 . LEU A 1 342 ? -45.141 8.207 -22.379 1.00 33.81 ? 354 LEU A HD22 1 ATOM 5244 H HD23 . LEU A 1 342 ? -45.043 8.633 -23.907 1.00 33.81 ? 354 LEU A HD23 1 ATOM 5245 N N . THR A 1 343 ? -41.802 5.845 -26.179 1.00 26.66 ? 355 THR A N 1 ATOM 5246 C CA A THR A 1 343 ? -41.980 5.399 -27.561 0.45 27.80 ? 355 THR A CA 1 ATOM 5247 C CA B THR A 1 343 ? -41.959 5.405 -27.563 0.55 27.65 ? 355 THR A CA 1 ATOM 5248 C C . THR A 1 343 ? -41.495 3.964 -27.738 1.00 27.97 ? 355 THR A C 1 ATOM 5249 O O . THR A 1 343 ? -42.158 3.166 -28.391 1.00 29.70 ? 355 THR A O 1 ATOM 5250 C CB A THR A 1 343 ? -41.330 6.348 -28.574 0.45 29.25 ? 355 THR A CB 1 ATOM 5251 C CB B THR A 1 343 ? -41.137 6.322 -28.471 0.55 28.81 ? 355 THR A CB 1 ATOM 5252 O OG1 A THR A 1 343 ? -39.912 6.352 -28.414 0.45 29.85 ? 355 THR A OG1 1 ATOM 5253 O OG1 B THR A 1 343 ? -41.693 7.639 -28.460 0.55 30.15 ? 355 THR A OG1 1 ATOM 5254 C CG2 A THR A 1 343 ? -41.867 7.762 -28.411 0.45 30.04 ? 355 THR A CG2 1 ATOM 5255 C CG2 B THR A 1 343 ? -41.094 5.806 -29.882 0.55 28.67 ? 355 THR A CG2 1 ATOM 5256 H H . THR A 1 343 ? -41.282 6.522 -26.077 1.00 31.99 ? 355 THR A H 1 ATOM 5257 H HA . THR A 1 343 ? -42.913 5.432 -27.786 1.00 33.18 ? 355 THR A HA 1 ATOM 5258 H HB A THR A 1 343 ? -41.546 6.048 -29.471 0.45 35.10 ? 355 THR A HB 1 ATOM 5259 H HB B THR A 1 343 ? -40.227 6.362 -28.139 0.55 34.57 ? 355 THR A HB 1 ATOM 5260 H HG1 A THR A 1 343 ? -39.711 6.607 -27.639 0.45 35.82 ? 355 THR A HG1 1 ATOM 5261 H HG1 B THR A 1 343 ? -41.244 8.145 -28.958 0.55 36.18 ? 355 THR A HG1 1 ATOM 5262 H HG21 A THR A 1 343 ? -41.448 8.352 -29.057 0.45 36.05 ? 355 THR A HG21 1 ATOM 5263 H HG21 B THR A 1 343 ? -40.569 6.403 -30.438 0.55 34.40 ? 355 THR A HG21 1 ATOM 5264 H HG22 A THR A 1 343 ? -42.826 7.770 -28.552 0.45 36.05 ? 355 THR A HG22 1 ATOM 5265 H HG22 B THR A 1 343 ? -40.692 4.923 -29.900 0.55 34.40 ? 355 THR A HG22 1 ATOM 5266 H HG23 A THR A 1 343 ? -41.677 8.087 -27.517 0.45 36.05 ? 355 THR A HG23 1 ATOM 5267 H HG23 B THR A 1 343 ? -41.993 5.750 -30.242 0.55 34.40 ? 355 THR A HG23 1 ATOM 5268 N N . GLU A 1 344 ? -40.344 3.625 -27.162 1.00 27.68 ? 356 GLU A N 1 ATOM 5269 C CA . GLU A 1 344 ? -39.809 2.279 -27.279 1.00 28.16 ? 356 GLU A CA 1 ATOM 5270 C C . GLU A 1 344 ? -40.757 1.266 -26.650 1.00 27.26 ? 356 GLU A C 1 ATOM 5271 O O . GLU A 1 344 ? -41.020 0.205 -27.227 1.00 28.70 ? 356 GLU A O 1 ATOM 5272 C CB . GLU A 1 344 ? -38.437 2.252 -26.594 1.00 29.67 ? 356 GLU A CB 1 ATOM 5273 C CG . GLU A 1 344 ? -37.778 0.891 -26.563 1.00 33.58 ? 356 GLU A CG 1 ATOM 5274 C CD . GLU A 1 344 ? -36.416 0.921 -25.924 1.00 39.83 ? 356 GLU A CD 1 ATOM 5275 O OE1 . GLU A 1 344 ? -35.770 -0.135 -25.868 1.00 43.28 ? 356 GLU A OE1 1 ATOM 5276 O OE2 . GLU A 1 344 ? -35.979 2.001 -25.489 1.00 42.20 ? 356 GLU A OE2 1 ATOM 5277 H H . GLU A 1 344 ? -39.856 4.159 -26.698 1.00 33.22 ? 356 GLU A H 1 ATOM 5278 H HA . GLU A 1 344 ? -39.693 2.054 -28.215 1.00 33.79 ? 356 GLU A HA 1 ATOM 5279 H HB2 . GLU A 1 344 ? -37.843 2.856 -27.066 1.00 35.61 ? 356 GLU A HB2 1 ATOM 5280 H HB3 . GLU A 1 344 ? -38.543 2.548 -25.676 1.00 35.61 ? 356 GLU A HB3 1 ATOM 5281 H HG2 . GLU A 1 344 ? -38.335 0.281 -26.053 1.00 40.30 ? 356 GLU A HG2 1 ATOM 5282 H HG3 . GLU A 1 344 ? -37.676 0.568 -27.471 1.00 40.30 ? 356 GLU A HG3 1 ATOM 5283 N N . ALA A 1 345 ? -41.286 1.580 -25.461 1.00 26.81 ? 357 ALA A N 1 ATOM 5284 C CA . ALA A 1 345 ? -42.155 0.635 -24.763 1.00 26.45 ? 357 ALA A CA 1 ATOM 5285 C C . ALA A 1 345 ? -43.458 0.431 -25.516 1.00 26.90 ? 357 ALA A C 1 ATOM 5286 O O . ALA A 1 345 ? -43.988 -0.686 -25.578 1.00 27.76 ? 357 ALA A O 1 ATOM 5287 C CB . ALA A 1 345 ? -42.434 1.150 -23.345 1.00 26.86 ? 357 ALA A CB 1 ATOM 5288 H H . ALA A 1 345 ? -41.158 2.323 -25.046 1.00 32.18 ? 357 ALA A H 1 ATOM 5289 H HA . ALA A 1 345 ? -41.706 -0.222 -24.693 1.00 31.74 ? 357 ALA A HA 1 ATOM 5290 H HB1 . ALA A 1 345 ? -43.010 0.518 -22.887 1.00 32.24 ? 357 ALA A HB1 1 ATOM 5291 H HB2 . ALA A 1 345 ? -41.593 1.235 -22.869 1.00 32.24 ? 357 ALA A HB2 1 ATOM 5292 H HB3 . ALA A 1 345 ? -42.870 2.015 -23.403 1.00 32.24 ? 357 ALA A HB3 1 ATOM 5293 N N . ASN A 1 346 ? -44.015 1.510 -26.059 1.00 26.77 ? 358 ASN A N 1 ATOM 5294 C CA . ASN A 1 346 ? -45.302 1.409 -26.738 1.00 27.41 ? 358 ASN A CA 1 ATOM 5295 C C . ASN A 1 346 ? -45.199 0.631 -28.038 1.00 28.42 ? 358 ASN A C 1 ATOM 5296 O O . ASN A 1 346 ? -46.149 -0.070 -28.408 1.00 29.14 ? 358 ASN A O 1 ATOM 5297 C CB . ASN A 1 346 ? -45.831 2.792 -27.049 1.00 27.33 ? 358 ASN A CB 1 ATOM 5298 C CG . ASN A 1 346 ? -46.621 3.382 -25.906 1.00 28.05 ? 358 ASN A CG 1 ATOM 5299 O OD1 . ASN A 1 346 ? -47.105 2.671 -25.020 1.00 29.40 ? 358 ASN A OD1 1 ATOM 5300 N ND2 . ASN A 1 346 ? -46.773 4.689 -25.934 1.00 28.54 ? 358 ASN A ND2 1 ATOM 5301 H H . ASN A 1 346 ? -43.675 2.300 -26.049 1.00 32.13 ? 358 ASN A H 1 ATOM 5302 H HA . ASN A 1 346 ? -45.937 0.959 -26.160 1.00 32.89 ? 358 ASN A HA 1 ATOM 5303 H HB2 . ASN A 1 346 ? -45.084 3.382 -27.234 1.00 32.80 ? 358 ASN A HB2 1 ATOM 5304 H HB3 . ASN A 1 346 ? -46.414 2.741 -27.822 1.00 32.80 ? 358 ASN A HB3 1 ATOM 5305 H HD21 . ASN A 1 346 ? -47.214 5.084 -25.309 1.00 34.24 ? 358 ASN A HD21 1 ATOM 5306 H HD22 . ASN A 1 346 ? -46.431 5.149 -26.575 1.00 34.24 ? 358 ASN A HD22 1 ATOM 5307 N N . LEU A 1 347 ? -44.060 0.728 -28.734 1.00 27.89 ? 359 LEU A N 1 ATOM 5308 C CA . LEU A 1 347 ? -43.901 0.031 -30.011 1.00 28.79 ? 359 LEU A CA 1 ATOM 5309 C C . LEU A 1 347 ? -43.952 -1.482 -29.839 1.00 29.33 ? 359 LEU A C 1 ATOM 5310 O O . LEU A 1 347 ? -44.537 -2.182 -30.668 1.00 31.77 ? 359 LEU A O 1 ATOM 5311 C CB . LEU A 1 347 ? -42.577 0.434 -30.657 1.00 30.15 ? 359 LEU A CB 1 ATOM 5312 C CG . LEU A 1 347 ? -42.236 -0.152 -32.033 1.00 31.45 ? 359 LEU A CG 1 ATOM 5313 C CD1 . LEU A 1 347 ? -43.352 0.150 -33.007 1.00 31.71 ? 359 LEU A CD1 1 ATOM 5314 C CD2 . LEU A 1 347 ? -40.930 0.446 -32.582 1.00 32.26 ? 359 LEU A CD2 1 ATOM 5315 H H . LEU A 1 347 ? -43.374 1.186 -28.491 1.00 33.47 ? 359 LEU A H 1 ATOM 5316 H HA . LEU A 1 347 ? -44.620 0.292 -30.607 1.00 34.55 ? 359 LEU A HA 1 ATOM 5317 H HB2 . LEU A 1 347 ? -42.575 1.399 -30.753 1.00 36.17 ? 359 LEU A HB2 1 ATOM 5318 H HB3 . LEU A 1 347 ? -41.862 0.174 -30.055 1.00 36.17 ? 359 LEU A HB3 1 ATOM 5319 H HG . LEU A 1 347 ? -42.134 -1.114 -31.964 1.00 37.74 ? 359 LEU A HG 1 ATOM 5320 H HD11 . LEU A 1 347 ? -43.125 -0.225 -33.872 1.00 38.06 ? 359 LEU A HD11 1 ATOM 5321 H HD12 . LEU A 1 347 ? -44.173 -0.248 -32.678 1.00 38.06 ? 359 LEU A HD12 1 ATOM 5322 H HD13 . LEU A 1 347 ? -43.455 1.112 -33.079 1.00 38.06 ? 359 LEU A HD13 1 ATOM 5323 H HD21 . LEU A 1 347 ? -40.745 0.055 -33.451 1.00 38.71 ? 359 LEU A HD21 1 ATOM 5324 H HD22 . LEU A 1 347 ? -41.034 1.406 -32.667 1.00 38.71 ? 359 LEU A HD22 1 ATOM 5325 H HD23 . LEU A 1 347 ? -40.208 0.243 -31.967 1.00 38.71 ? 359 LEU A HD23 1 ATOM 5326 N N . LYS A 1 348 ? -43.290 -2.016 -28.814 1.00 28.15 ? 360 LYS A N 1 ATOM 5327 C CA . LYS A 1 348 ? -43.243 -3.462 -28.614 1.00 28.07 ? 360 LYS A CA 1 ATOM 5328 C C . LYS A 1 348 ? -44.237 -3.976 -27.582 1.00 28.10 ? 360 LYS A C 1 ATOM 5329 O O . LYS A 1 348 ? -44.527 -5.184 -27.566 1.00 29.29 ? 360 LYS A O 1 ATOM 5330 C CB . LYS A 1 348 ? -41.831 -3.923 -28.251 1.00 28.55 ? 360 LYS A CB 1 ATOM 5331 C CG . LYS A 1 348 ? -41.357 -3.503 -26.883 1.00 29.71 ? 360 LYS A CG 1 ATOM 5332 C CD . LYS A 1 348 ? -39.991 -4.102 -26.606 1.00 30.72 ? 360 LYS A CD 1 ATOM 5333 C CE . LYS A 1 348 ? -38.895 -3.335 -27.314 1.00 31.45 ? 360 LYS A CE 1 ATOM 5334 N NZ . LYS A 1 348 ? -37.568 -3.987 -27.160 1.00 32.52 ? 360 LYS A NZ 1 ATOM 5335 H H . LYS A 1 348 ? -42.860 -1.564 -28.222 1.00 33.78 ? 360 LYS A H 1 ATOM 5336 H HA . LYS A 1 348 ? -43.469 -3.885 -29.457 1.00 33.68 ? 360 LYS A HA 1 ATOM 5337 H HB2 . LYS A 1 348 ? -41.805 -4.892 -28.284 1.00 34.26 ? 360 LYS A HB2 1 ATOM 5338 H HB3 . LYS A 1 348 ? -41.210 -3.559 -28.900 1.00 34.26 ? 360 LYS A HB3 1 ATOM 5339 H HG2 . LYS A 1 348 ? -41.285 -2.537 -26.846 1.00 35.65 ? 360 LYS A HG2 1 ATOM 5340 H HG3 . LYS A 1 348 ? -41.978 -3.825 -26.210 1.00 35.65 ? 360 LYS A HG3 1 ATOM 5341 H HD2 . LYS A 1 348 ? -39.815 -4.071 -25.652 1.00 36.87 ? 360 LYS A HD2 1 ATOM 5342 H HD3 . LYS A 1 348 ? -39.973 -5.019 -26.922 1.00 36.87 ? 360 LYS A HD3 1 ATOM 5343 H HE2 . LYS A 1 348 ? -39.101 -3.288 -28.261 1.00 37.74 ? 360 LYS A HE2 1 ATOM 5344 H HE3 . LYS A 1 348 ? -38.838 -2.442 -26.940 1.00 37.74 ? 360 LYS A HE3 1 ATOM 5345 H HZ1 . LYS A 1 348 ? -36.946 -3.514 -27.587 1.00 39.02 ? 360 LYS A HZ1 1 ATOM 5346 H HZ2 . LYS A 1 348 ? -37.352 -4.038 -26.298 1.00 39.02 ? 360 LYS A HZ2 1 ATOM 5347 H HZ3 . LYS A 1 348 ? -37.591 -4.808 -27.502 1.00 39.02 ? 360 LYS A HZ3 1 ATOM 5348 N N . GLY A 1 349 ? -44.765 -3.114 -26.723 1.00 28.26 ? 361 GLY A N 1 ATOM 5349 C CA . GLY A 1 349 ? -45.753 -3.536 -25.749 1.00 28.67 ? 361 GLY A CA 1 ATOM 5350 C C . GLY A 1 349 ? -45.197 -4.053 -24.445 1.00 28.08 ? 361 GLY A C 1 ATOM 5351 O O . GLY A 1 349 ? -45.929 -4.682 -23.681 1.00 28.22 ? 361 GLY A O 1 ATOM 5352 H H . GLY A 1 349 ? -44.565 -2.279 -26.685 1.00 33.92 ? 361 GLY A H 1 ATOM 5353 H HA2 . GLY A 1 349 ? -46.333 -2.785 -25.547 1.00 34.41 ? 361 GLY A HA2 1 ATOM 5354 H HA3 . GLY A 1 349 ? -46.297 -4.238 -26.139 1.00 34.41 ? 361 GLY A HA3 1 ATOM 5355 N N . GLU A 1 350 ? -43.931 -3.790 -24.160 1.00 28.18 ? 362 GLU A N 1 ATOM 5356 C CA . GLU A 1 350 ? -43.272 -4.207 -22.934 1.00 28.59 ? 362 GLU A CA 1 ATOM 5357 C C . GLU A 1 350 ? -42.389 -3.065 -22.488 1.00 28.17 ? 362 GLU A C 1 ATOM 5358 O O . GLU A 1 350 ? -41.802 -2.371 -23.320 1.00 28.27 ? 362 GLU A O 1 ATOM 5359 C CB . GLU A 1 350 ? -42.368 -5.431 -23.118 1.00 32.00 ? 362 GLU A CB 1 ATOM 5360 C CG . GLU A 1 350 ? -43.149 -6.644 -23.586 1.00 33.68 ? 362 GLU A CG 1 ATOM 5361 C CD . GLU A 1 350 ? -42.334 -7.909 -23.663 1.00 35.86 ? 362 GLU A CD 1 ATOM 5362 O OE1 . GLU A 1 350 ? -41.560 -8.167 -22.711 1.00 35.46 ? 362 GLU A OE1 1 ATOM 5363 O OE2 . GLU A 1 350 ? -42.475 -8.629 -24.698 1.00 36.27 ? 362 GLU A OE2 1 ATOM 5364 H H . GLU A 1 350 ? -43.412 -3.351 -24.687 1.00 33.82 ? 362 GLU A H 1 ATOM 5365 H HA . GLU A 1 350 ? -43.928 -4.393 -22.244 1.00 34.30 ? 362 GLU A HA 1 ATOM 5366 H HB2 . GLU A 1 350 ? -41.692 -5.231 -23.784 1.00 38.40 ? 362 GLU A HB2 1 ATOM 5367 H HB3 . GLU A 1 350 ? -41.949 -5.649 -22.271 1.00 38.40 ? 362 GLU A HB3 1 ATOM 5368 H HG2 . GLU A 1 350 ? -43.880 -6.801 -22.968 1.00 40.42 ? 362 GLU A HG2 1 ATOM 5369 H HG3 . GLU A 1 350 ? -43.502 -6.465 -24.472 1.00 40.42 ? 362 GLU A HG3 1 ATOM 5370 N N . SER A 1 351 ? -42.275 -2.899 -21.172 1.00 28.78 ? 363 SER A N 1 ATOM 5371 C CA . SER A 1 351 ? -41.506 -1.799 -20.619 1.00 29.30 ? 363 SER A CA 1 ATOM 5372 C C . SER A 1 351 ? -40.068 -2.224 -20.393 1.00 30.80 ? 363 SER A C 1 ATOM 5373 O O . SER A 1 351 ? -39.766 -3.404 -20.206 1.00 32.56 ? 363 SER A O 1 ATOM 5374 C CB . SER A 1 351 ? -42.093 -1.316 -19.286 1.00 29.45 ? 363 SER A CB 1 ATOM 5375 O OG . SER A 1 351 ? -42.054 -2.341 -18.304 1.00 29.91 ? 363 SER A OG 1 ATOM 5376 H H . SER A 1 351 ? -42.635 -3.411 -20.583 1.00 34.54 ? 363 SER A H 1 ATOM 5377 H HA . SER A 1 351 ? -41.512 -1.056 -21.243 1.00 35.16 ? 363 SER A HA 1 ATOM 5378 H HB2 . SER A 1 351 ? -41.574 -0.559 -18.970 1.00 35.34 ? 363 SER A HB2 1 ATOM 5379 H HB3 . SER A 1 351 ? -43.015 -1.049 -19.426 1.00 35.34 ? 363 SER A HB3 1 ATOM 5380 H HG . SER A 1 351 ? -42.500 -3.004 -18.564 1.00 35.90 ? 363 SER A HG 1 ATOM 5381 N N . ASN A 1 352 ? -39.175 -1.227 -20.405 1.00 30.92 ? 364 ASN A N 1 ATOM 5382 C CA . ASN A 1 352 ? -37.783 -1.407 -20.040 1.00 32.51 ? 364 ASN A CA 1 ATOM 5383 C C . ASN A 1 352 ? -37.381 -0.182 -19.226 1.00 30.32 ? 364 ASN A C 1 ATOM 5384 O O . ASN A 1 352 ? -36.627 0.665 -19.678 1.00 31.15 ? 364 ASN A O 1 ATOM 5385 C CB . ASN A 1 352 ? -36.890 -1.583 -21.279 1.00 34.13 ? 364 ASN A CB 1 ATOM 5386 C CG . ASN A 1 352 ? -35.404 -1.667 -20.932 1.00 36.40 ? 364 ASN A CG 1 ATOM 5387 O OD1 . ASN A 1 352 ? -35.044 -2.078 -19.835 1.00 35.94 ? 364 ASN A OD1 1 ATOM 5388 N ND2 . ASN A 1 352 ? -34.538 -1.236 -21.864 1.00 39.77 ? 364 ASN A ND2 1 ATOM 5389 H H . ASN A 1 352 ? -39.367 -0.418 -20.628 1.00 37.11 ? 364 ASN A H 1 ATOM 5390 H HA . ASN A 1 352 ? -37.693 -2.194 -19.480 1.00 39.01 ? 364 ASN A HA 1 ATOM 5391 H HB2 . ASN A 1 352 ? -37.138 -2.404 -21.734 1.00 40.95 ? 364 ASN A HB2 1 ATOM 5392 H HB3 . ASN A 1 352 ? -37.017 -0.825 -21.871 1.00 40.95 ? 364 ASN A HB3 1 ATOM 5393 H HD21 . ASN A 1 352 ? -33.692 -1.264 -21.712 1.00 47.73 ? 364 ASN A HD21 1 ATOM 5394 H HD22 . ASN A 1 352 ? -34.830 -0.931 -22.614 1.00 47.73 ? 364 ASN A HD22 1 ATOM 5395 N N . TRP A 1 353 ? -37.901 -0.083 -18.003 1.00 27.98 ? 365 TRP A N 1 ATOM 5396 C CA . TRP A 1 353 ? -37.427 0.956 -17.106 1.00 26.26 ? 365 TRP A CA 1 ATOM 5397 C C . TRP A 1 353 ? -35.933 0.776 -16.948 1.00 27.10 ? 365 TRP A C 1 ATOM 5398 O O . TRP A 1 353 ? -35.453 -0.349 -16.758 1.00 28.91 ? 365 TRP A O 1 ATOM 5399 C CB . TRP A 1 353 ? -38.127 0.848 -15.746 1.00 24.92 ? 365 TRP A CB 1 ATOM 5400 C CG . TRP A 1 353 ? -39.508 1.397 -15.791 1.00 24.11 ? 365 TRP A CG 1 ATOM 5401 C CD1 . TRP A 1 353 ? -40.663 0.727 -16.136 1.00 26.81 ? 365 TRP A CD1 1 ATOM 5402 C CD2 . TRP A 1 353 ? -39.895 2.734 -15.508 1.00 24.32 ? 365 TRP A CD2 1 ATOM 5403 N NE1 . TRP A 1 353 ? -41.735 1.573 -16.060 1.00 25.93 ? 365 TRP A NE1 1 ATOM 5404 C CE2 . TRP A 1 353 ? -41.286 2.819 -15.704 1.00 25.41 ? 365 TRP A CE2 1 ATOM 5405 C CE3 . TRP A 1 353 ? -39.196 3.885 -15.142 1.00 25.02 ? 365 TRP A CE3 1 ATOM 5406 C CZ2 . TRP A 1 353 ? -41.997 4.015 -15.512 1.00 26.04 ? 365 TRP A CZ2 1 ATOM 5407 C CZ3 . TRP A 1 353 ? -39.896 5.052 -14.956 1.00 24.90 ? 365 TRP A CZ3 1 ATOM 5408 C CH2 . TRP A 1 353 ? -41.284 5.110 -15.138 1.00 24.81 ? 365 TRP A CH2 1 ATOM 5409 H H . TRP A 1 353 ? -38.513 -0.593 -17.679 1.00 33.58 ? 365 TRP A H 1 ATOM 5410 H HA . TRP A 1 353 ? -37.603 1.831 -17.485 1.00 31.51 ? 365 TRP A HA 1 ATOM 5411 H HB2 . TRP A 1 353 ? -38.180 -0.086 -15.488 1.00 29.90 ? 365 TRP A HB2 1 ATOM 5412 H HB3 . TRP A 1 353 ? -37.622 1.349 -15.086 1.00 29.90 ? 365 TRP A HB3 1 ATOM 5413 H HD1 . TRP A 1 353 ? -40.710 -0.175 -16.358 1.00 32.17 ? 365 TRP A HD1 1 ATOM 5414 H HE1 . TRP A 1 353 ? -42.551 1.365 -16.236 1.00 31.12 ? 365 TRP A HE1 1 ATOM 5415 H HE3 . TRP A 1 353 ? -38.274 3.860 -15.020 1.00 30.03 ? 365 TRP A HE3 1 ATOM 5416 H HZ2 . TRP A 1 353 ? -42.918 4.054 -15.628 1.00 31.25 ? 365 TRP A HZ2 1 ATOM 5417 H HZ3 . TRP A 1 353 ? -39.438 5.821 -14.702 1.00 29.87 ? 365 TRP A HZ3 1 ATOM 5418 H HH2 . TRP A 1 353 ? -41.728 5.916 -15.001 1.00 29.77 ? 365 TRP A HH2 1 ATOM 5419 N N . THR A 1 354 ? -35.182 1.864 -17.073 1.00 27.19 ? 366 THR A N 1 ATOM 5420 C CA . THR A 1 354 ? -33.738 1.723 -17.191 1.00 28.62 ? 366 THR A CA 1 ATOM 5421 C C . THR A 1 354 ? -33.053 2.974 -16.661 1.00 27.40 ? 366 THR A C 1 ATOM 5422 O O . THR A 1 354 ? -33.665 4.031 -16.494 1.00 27.35 ? 366 THR A O 1 ATOM 5423 C CB . THR A 1 354 ? -33.344 1.409 -18.653 1.00 31.05 ? 366 THR A CB 1 ATOM 5424 O OG1 . THR A 1 354 ? -31.990 0.946 -18.733 1.00 33.38 ? 366 THR A OG1 1 ATOM 5425 C CG2 . THR A 1 354 ? -33.508 2.640 -19.523 1.00 31.72 ? 366 THR A CG2 1 ATOM 5426 H H . THR A 1 354 ? -35.474 2.673 -17.092 1.00 32.63 ? 366 THR A H 1 ATOM 5427 H HA . THR A 1 354 ? -33.453 0.975 -16.642 1.00 34.35 ? 366 THR A HA 1 ATOM 5428 H HB . THR A 1 354 ? -33.933 0.719 -18.997 1.00 37.26 ? 366 THR A HB 1 ATOM 5429 H HG1 . THR A 1 354 ? -31.790 0.780 -19.531 1.00 40.05 ? 366 THR A HG1 1 ATOM 5430 H HG21 . THR A 1 354 ? -33.259 2.435 -20.438 1.00 38.06 ? 366 THR A HG21 1 ATOM 5431 H HG22 . THR A 1 354 ? -34.431 2.937 -19.507 1.00 38.06 ? 366 THR A HG22 1 ATOM 5432 H HG23 . THR A 1 354 ? -32.941 3.356 -19.195 1.00 38.06 ? 366 THR A HG23 1 ATOM 5433 N N . LEU A 1 355 ? -31.774 2.820 -16.352 1.00 28.47 ? 367 LEU A N 1 ATOM 5434 C CA . LEU A 1 355 ? -31.000 3.929 -15.820 1.00 29.42 ? 367 LEU A CA 1 ATOM 5435 C C . LEU A 1 355 ? -30.879 5.029 -16.866 1.00 28.54 ? 367 LEU A C 1 ATOM 5436 O O . LEU A 1 355 ? -30.450 4.784 -18.010 1.00 30.55 ? 367 LEU A O 1 ATOM 5437 C CB . LEU A 1 355 ? -29.613 3.436 -15.418 1.00 33.12 ? 367 LEU A CB 1 ATOM 5438 C CG . LEU A 1 355 ? -28.778 4.431 -14.619 1.00 38.42 ? 367 LEU A CG 1 ATOM 5439 C CD1 . LEU A 1 355 ? -28.050 3.700 -13.524 1.00 42.16 ? 367 LEU A CD1 1 ATOM 5440 C CD2 . LEU A 1 355 ? -27.821 5.065 -15.553 1.00 40.44 ? 367 LEU A CD2 1 ATOM 5441 H H . LEU A 1 355 ? -31.333 2.088 -16.442 1.00 34.17 ? 367 LEU A H 1 ATOM 5442 H HA . LEU A 1 355 ? -31.442 4.291 -15.036 1.00 35.31 ? 367 LEU A HA 1 ATOM 5443 H HB2 . LEU A 1 355 ? -29.715 2.639 -14.876 1.00 39.74 ? 367 LEU A HB2 1 ATOM 5444 H HB3 . LEU A 1 355 ? -29.118 3.220 -16.224 1.00 39.74 ? 367 LEU A HB3 1 ATOM 5445 H HG . LEU A 1 355 ? -29.347 5.112 -14.229 1.00 46.10 ? 367 LEU A HG 1 ATOM 5446 H HD11 . LEU A 1 355 ? -27.520 4.336 -13.018 1.00 50.59 ? 367 LEU A HD11 1 ATOM 5447 H HD12 . LEU A 1 355 ? -28.700 3.274 -12.943 1.00 50.59 ? 367 LEU A HD12 1 ATOM 5448 H HD13 . LEU A 1 355 ? -27.472 3.030 -13.922 1.00 50.59 ? 367 LEU A HD13 1 ATOM 5449 H HD21 . LEU A 1 355 ? -27.279 5.703 -15.064 1.00 48.52 ? 367 LEU A HD21 1 ATOM 5450 H HD22 . LEU A 1 355 ? -27.256 4.379 -15.941 1.00 48.52 ? 367 LEU A HD22 1 ATOM 5451 H HD23 . LEU A 1 355 ? -28.317 5.520 -16.252 1.00 48.52 ? 367 LEU A HD23 1 ATOM 5452 N N . GLU A 1 356 ? -31.236 6.252 -16.461 1.00 27.86 ? 368 GLU A N 1 ATOM 5453 C CA . GLU A 1 356 ? -30.924 7.429 -17.255 1.00 27.47 ? 368 GLU A CA 1 ATOM 5454 C C . GLU A 1 356 ? -29.533 7.959 -16.918 1.00 28.47 ? 368 GLU A C 1 ATOM 5455 O O . GLU A 1 356 ? -28.683 8.100 -17.818 1.00 29.99 ? 368 GLU A O 1 ATOM 5456 C CB . GLU A 1 356 ? -31.980 8.522 -17.060 1.00 26.84 ? 368 GLU A CB 1 ATOM 5457 C CG . GLU A 1 356 ? -31.929 9.578 -18.160 1.00 26.30 ? 368 GLU A CG 1 ATOM 5458 C CD . GLU A 1 356 ? -32.682 10.869 -17.821 1.00 27.01 ? 368 GLU A CD 1 ATOM 5459 O OE1 . GLU A 1 356 ? -32.965 11.135 -16.614 1.00 27.09 ? 368 GLU A OE1 1 ATOM 5460 O OE2 . GLU A 1 356 ? -32.983 11.633 -18.767 1.00 27.36 ? 368 GLU A OE2 1 ATOM 5461 H H . GLU A 1 356 ? -31.658 6.421 -15.731 1.00 33.43 ? 368 GLU A H 1 ATOM 5462 H HA . GLU A 1 356 ? -30.926 7.180 -18.192 1.00 32.97 ? 368 GLU A HA 1 ATOM 5463 H HB2 . GLU A 1 356 ? -32.862 8.118 -17.071 1.00 32.21 ? 368 GLU A HB2 1 ATOM 5464 H HB3 . GLU A 1 356 ? -31.827 8.964 -16.210 1.00 32.21 ? 368 GLU A HB3 1 ATOM 5465 H HG2 . GLU A 1 356 ? -31.002 9.812 -18.325 1.00 31.56 ? 368 GLU A HG2 1 ATOM 5466 H HG3 . GLU A 1 356 ? -32.323 9.209 -18.966 1.00 31.56 ? 368 GLU A HG3 1 ATOM 5467 N N . TYR A 1 357 ? -29.273 8.202 -15.632 1.00 27.98 ? 369 TYR A N 1 ATOM 5468 C CA . TYR A 1 357 ? -27.960 8.671 -15.205 1.00 28.38 ? 369 TYR A CA 1 ATOM 5469 C C . TYR A 1 357 ? -27.805 8.524 -13.705 1.00 28.39 ? 369 TYR A C 1 ATOM 5470 O O . TYR A 1 357 ? -28.783 8.437 -12.962 1.00 28.03 ? 369 TYR A O 1 ATOM 5471 C CB . TYR A 1 357 ? -27.686 10.112 -15.648 1.00 29.09 ? 369 TYR A CB 1 ATOM 5472 C CG . TYR A 1 357 ? -28.494 11.184 -14.950 1.00 28.66 ? 369 TYR A CG 1 ATOM 5473 C CD1 . TYR A 1 357 ? -29.776 11.527 -15.386 1.00 28.50 ? 369 TYR A CD1 1 ATOM 5474 C CD2 . TYR A 1 357 ? -27.967 11.867 -13.850 1.00 28.03 ? 369 TYR A CD2 1 ATOM 5475 C CE1 . TYR A 1 357 ? -30.515 12.540 -14.726 1.00 27.05 ? 369 TYR A CE1 1 ATOM 5476 C CE2 . TYR A 1 357 ? -28.694 12.856 -13.191 1.00 27.81 ? 369 TYR A CE2 1 ATOM 5477 C CZ . TYR A 1 357 ? -29.953 13.198 -13.651 1.00 27.66 ? 369 TYR A CZ 1 ATOM 5478 O OH . TYR A 1 357 ? -30.646 14.158 -12.994 1.00 26.92 ? 369 TYR A OH 1 ATOM 5479 H H . TYR A 1 357 ? -29.839 8.104 -14.992 1.00 33.57 ? 369 TYR A H 1 ATOM 5480 H HA . TYR A 1 357 ? -27.287 8.110 -15.621 1.00 34.05 ? 369 TYR A HA 1 ATOM 5481 H HB2 . TYR A 1 357 ? -26.749 10.307 -15.491 1.00 34.91 ? 369 TYR A HB2 1 ATOM 5482 H HB3 . TYR A 1 357 ? -27.874 10.181 -16.598 1.00 34.91 ? 369 TYR A HB3 1 ATOM 5483 H HD1 . TYR A 1 357 ? -30.145 11.091 -16.119 1.00 34.20 ? 369 TYR A HD1 1 ATOM 5484 H HD2 . TYR A 1 357 ? -27.116 11.650 -13.545 1.00 33.64 ? 369 TYR A HD2 1 ATOM 5485 H HE1 . TYR A 1 357 ? -31.367 12.767 -15.021 1.00 32.46 ? 369 TYR A HE1 1 ATOM 5486 H HE2 . TYR A 1 357 ? -28.324 13.303 -12.464 1.00 33.37 ? 369 TYR A HE2 1 ATOM 5487 H HH . TYR A 1 357 ? -31.404 14.254 -13.343 1.00 32.30 ? 369 TYR A HH 1 ATOM 5488 N N . VAL A 1 358 ? -26.545 8.495 -13.289 1.00 28.89 ? 370 VAL A N 1 ATOM 5489 C CA . VAL A 1 358 ? -26.125 8.638 -11.899 1.00 29.34 ? 370 VAL A CA 1 ATOM 5490 C C . VAL A 1 358 ? -25.514 10.027 -11.779 1.00 28.97 ? 370 VAL A C 1 ATOM 5491 O O . VAL A 1 358 ? -24.616 10.372 -12.542 1.00 29.50 ? 370 VAL A O 1 ATOM 5492 C CB . VAL A 1 358 ? -25.090 7.560 -11.541 1.00 29.77 ? 370 VAL A CB 1 ATOM 5493 C CG1 . VAL A 1 358 ? -24.575 7.748 -10.113 1.00 31.19 ? 370 VAL A CG1 1 ATOM 5494 C CG2 . VAL A 1 358 ? -25.661 6.168 -11.742 1.00 29.14 ? 370 VAL A CG2 1 ATOM 5495 H H . VAL A 1 358 ? -25.881 8.388 -13.824 1.00 34.67 ? 370 VAL A H 1 ATOM 5496 H HA . VAL A 1 358 ? -26.888 8.567 -11.304 1.00 35.21 ? 370 VAL A HA 1 ATOM 5497 H HB . VAL A 1 358 ? -24.331 7.652 -12.138 1.00 35.72 ? 370 VAL A HB 1 ATOM 5498 H HG11 . VAL A 1 358 ? -23.926 7.055 -9.918 1.00 37.42 ? 370 VAL A HG11 1 ATOM 5499 H HG12 . VAL A 1 358 ? -24.159 8.622 -10.041 1.00 37.42 ? 370 VAL A HG12 1 ATOM 5500 H HG13 . VAL A 1 358 ? -25.322 7.685 -9.498 1.00 37.42 ? 370 VAL A HG13 1 ATOM 5501 H HG21 . VAL A 1 358 ? -24.985 5.513 -11.508 1.00 34.97 ? 370 VAL A HG21 1 ATOM 5502 H HG22 . VAL A 1 358 ? -26.438 6.061 -11.171 1.00 34.97 ? 370 VAL A HG22 1 ATOM 5503 H HG23 . VAL A 1 358 ? -25.916 6.063 -12.672 1.00 34.97 ? 370 VAL A HG23 1 ATOM 5504 N N . LEU A 1 359 ? -26.016 10.838 -10.846 1.00 29.15 ? 371 LEU A N 1 ATOM 5505 C CA . LEU A 1 359 ? -25.672 12.256 -10.841 1.00 28.21 ? 371 LEU A CA 1 ATOM 5506 C C . LEU A 1 359 ? -24.164 12.476 -10.713 1.00 29.54 ? 371 LEU A C 1 ATOM 5507 O O . LEU A 1 359 ? -23.584 13.275 -11.463 1.00 30.44 ? 371 LEU A O 1 ATOM 5508 C CB . LEU A 1 359 ? -26.460 12.996 -9.741 1.00 28.51 ? 371 LEU A CB 1 ATOM 5509 C CG . LEU A 1 359 ? -26.503 14.519 -9.850 1.00 29.31 ? 371 LEU A CG 1 ATOM 5510 C CD1 . LEU A 1 359 ? -27.682 15.112 -9.054 1.00 31.30 ? 371 LEU A CD1 1 ATOM 5511 C CD2 . LEU A 1 359 ? -25.197 15.163 -9.375 1.00 28.85 ? 371 LEU A CD2 1 ATOM 5512 H H . LEU A 1 359 ? -26.549 10.595 -10.216 1.00 34.98 ? 371 LEU A H 1 ATOM 5513 H HA . LEU A 1 359 ? -25.944 12.636 -11.692 1.00 33.86 ? 371 LEU A HA 1 ATOM 5514 H HB2 . LEU A 1 359 ? -27.377 12.680 -9.759 1.00 34.21 ? 371 LEU A HB2 1 ATOM 5515 H HB3 . LEU A 1 359 ? -26.062 12.780 -8.884 1.00 34.21 ? 371 LEU A HB3 1 ATOM 5516 H HG . LEU A 1 359 ? -26.627 14.759 -10.781 1.00 35.17 ? 371 LEU A HG 1 ATOM 5517 H HD11 . LEU A 1 359 ? -27.672 16.078 -9.149 1.00 37.56 ? 371 LEU A HD11 1 ATOM 5518 H HD12 . LEU A 1 359 ? -28.512 14.753 -9.405 1.00 37.56 ? 371 LEU A HD12 1 ATOM 5519 H HD13 . LEU A 1 359 ? -27.585 14.871 -8.120 1.00 37.56 ? 371 LEU A HD13 1 ATOM 5520 H HD21 . LEU A 1 359 ? -25.271 16.126 -9.462 1.00 34.61 ? 371 LEU A HD21 1 ATOM 5521 H HD22 . LEU A 1 359 ? -25.047 14.925 -8.447 1.00 34.61 ? 371 LEU A HD22 1 ATOM 5522 H HD23 . LEU A 1 359 ? -24.467 14.836 -9.924 1.00 34.61 ? 371 LEU A HD23 1 ATOM 5523 N N . THR A 1 360 ? -23.498 11.769 -9.788 1.00 29.35 ? 372 THR A N 1 ATOM 5524 C CA . THR A 1 360 ? -22.057 11.984 -9.628 1.00 30.35 ? 372 THR A CA 1 ATOM 5525 C C . THR A 1 360 ? -21.292 11.661 -10.898 1.00 31.22 ? 372 THR A C 1 ATOM 5526 O O . THR A 1 360 ? -20.320 12.354 -11.221 1.00 31.87 ? 372 THR A O 1 ATOM 5527 C CB . THR A 1 360 ? -21.451 11.173 -8.480 1.00 31.14 ? 372 THR A CB 1 ATOM 5528 O OG1 . THR A 1 360 ? -21.687 9.777 -8.679 1.00 31.69 ? 372 THR A OG1 1 ATOM 5529 C CG2 . THR A 1 360 ? -21.989 11.640 -7.143 1.00 30.15 ? 372 THR A CG2 1 ATOM 5530 H H . THR A 1 360 ? -23.843 11.183 -9.262 1.00 35.22 ? 372 THR A H 1 ATOM 5531 H HA . THR A 1 360 ? -21.909 12.922 -9.431 1.00 36.41 ? 372 THR A HA 1 ATOM 5532 H HB . THR A 1 360 ? -20.492 11.323 -8.474 1.00 37.37 ? 372 THR A HB 1 ATOM 5533 H HG1 . THR A 1 360 ? -22.513 9.627 -8.709 1.00 38.03 ? 372 THR A HG1 1 ATOM 5534 H HG21 . THR A 1 360 ? -21.595 11.118 -6.427 1.00 36.17 ? 372 THR A HG21 1 ATOM 5535 H HG22 . THR A 1 360 ? -21.771 12.576 -7.007 1.00 36.17 ? 372 THR A HG22 1 ATOM 5536 H HG23 . THR A 1 360 ? -22.953 11.534 -7.119 1.00 36.17 ? 372 THR A HG23 1 ATOM 5537 N N . GLN A 1 361 ? -21.687 10.592 -11.613 1.00 31.36 ? 373 GLN A N 1 ATOM 5538 C CA A GLN A 1 361 ? -20.986 10.209 -12.833 0.47 32.13 ? 373 GLN A CA 1 ATOM 5539 C CA B GLN A 1 361 ? -20.983 10.214 -12.840 0.53 32.56 ? 373 GLN A CA 1 ATOM 5540 C C . GLN A 1 361 ? -21.308 11.172 -13.975 1.00 31.90 ? 373 GLN A C 1 ATOM 5541 O O . GLN A 1 361 ? -20.419 11.561 -14.743 1.00 32.54 ? 373 GLN A O 1 ATOM 5542 C CB A GLN A 1 361 ? -21.377 8.777 -13.217 0.47 33.56 ? 373 GLN A CB 1 ATOM 5543 C CB B GLN A 1 361 ? -21.345 8.789 -13.272 0.53 34.81 ? 373 GLN A CB 1 ATOM 5544 C CG A GLN A 1 361 ? -21.148 7.712 -12.136 0.47 35.24 ? 373 GLN A CG 1 ATOM 5545 C CG B GLN A 1 361 ? -20.604 8.306 -14.570 0.53 37.15 ? 373 GLN A CG 1 ATOM 5546 C CD A GLN A 1 361 ? -21.676 6.322 -12.530 0.47 37.26 ? 373 GLN A CD 1 ATOM 5547 C CD B GLN A 1 361 ? -21.433 8.409 -15.875 0.53 39.35 ? 373 GLN A CD 1 ATOM 5548 O OE1 A GLN A 1 361 ? -21.977 6.058 -13.702 0.47 39.12 ? 373 GLN A OE1 1 ATOM 5549 O OE1 B GLN A 1 361 ? -22.533 8.971 -15.904 0.53 39.99 ? 373 GLN A OE1 1 ATOM 5550 N NE2 A GLN A 1 361 ? -21.777 5.427 -11.548 0.47 37.11 ? 373 GLN A NE2 1 ATOM 5551 N NE2 B GLN A 1 361 ? -20.891 7.852 -16.958 0.53 41.06 ? 373 GLN A NE2 1 ATOM 5552 H H . GLN A 1 361 ? -22.349 10.082 -11.411 1.00 37.63 ? 373 GLN A H 1 ATOM 5553 H HA . GLN A 1 361 ? -20.028 10.240 -12.677 1.00 39.07 ? 373 GLN A HA 1 ATOM 5554 H HB2 A GLN A 1 361 ? -22.321 8.767 -13.439 0.47 40.28 ? 373 GLN A HB2 1 ATOM 5555 H HB2 B GLN A 1 361 ? -21.115 8.178 -12.555 0.53 41.78 ? 373 GLN A HB2 1 ATOM 5556 H HB3 A GLN A 1 361 ? -20.860 8.516 -13.995 0.47 40.28 ? 373 GLN A HB3 1 ATOM 5557 H HB3 B GLN A 1 361 ? -22.299 8.748 -13.444 0.53 41.78 ? 373 GLN A HB3 1 ATOM 5558 H HG2 A GLN A 1 361 ? -20.196 7.633 -11.969 0.47 42.29 ? 373 GLN A HG2 1 ATOM 5559 H HG2 B GLN A 1 361 ? -19.806 8.843 -14.688 0.53 44.59 ? 373 GLN A HG2 1 ATOM 5560 H HG3 A GLN A 1 361 ? -21.604 7.985 -11.324 0.47 42.29 ? 373 GLN A HG3 1 ATOM 5561 H HG3 B GLN A 1 361 ? -20.356 7.375 -14.455 0.53 44.59 ? 373 GLN A HG3 1 ATOM 5562 H HE21 A GLN A 1 361 ? -21.552 5.642 -10.746 0.47 44.54 ? 373 GLN A HE21 1 ATOM 5563 H HE21 B GLN A 1 361 ? -20.125 7.464 -16.905 0.53 49.28 ? 373 GLN A HE21 1 ATOM 5564 H HE22 A GLN A 1 361 ? -22.067 4.635 -11.716 0.47 44.54 ? 373 GLN A HE22 1 ATOM 5565 H HE22 B GLN A 1 361 ? -21.308 7.879 -17.710 0.53 49.28 ? 373 GLN A HE22 1 ATOM 5566 N N . ALA A 1 362 ? -22.576 11.566 -14.098 1.00 31.84 ? 374 ALA A N 1 ATOM 5567 C CA . ALA A 1 362 ? -22.985 12.409 -15.211 1.00 30.48 ? 374 ALA A CA 1 ATOM 5568 C C . ALA A 1 362 ? -22.264 13.741 -15.181 1.00 31.45 ? 374 ALA A C 1 ATOM 5569 O O . ALA A 1 362 ? -21.868 14.270 -16.230 1.00 32.27 ? 374 ALA A O 1 ATOM 5570 C CB . ALA A 1 362 ? -24.491 12.637 -15.164 1.00 29.64 ? 374 ALA A CB 1 ATOM 5571 H H . ALA A 1 362 ? -23.209 11.359 -13.555 1.00 38.20 ? 374 ALA A H 1 ATOM 5572 H HA . ALA A 1 362 ? -22.770 11.964 -16.046 1.00 36.57 ? 374 ALA A HA 1 ATOM 5573 H HB1 . ALA A 1 362 ? -24.748 13.200 -15.911 1.00 35.56 ? 374 ALA A HB1 1 ATOM 5574 H HB2 . ALA A 1 362 ? -24.942 11.780 -15.224 1.00 35.56 ? 374 ALA A HB2 1 ATOM 5575 H HB3 . ALA A 1 362 ? -24.717 13.073 -14.327 1.00 35.56 ? 374 ALA A HB3 1 ATOM 5576 N N . TYR A 1 363 ? -22.049 14.283 -13.981 1.00 31.50 ? 375 TYR A N 1 ATOM 5577 C CA . TYR A 1 363 ? -21.555 15.639 -13.823 1.00 32.27 ? 375 TYR A CA 1 ATOM 5578 C C . TYR A 1 363 ? -20.174 15.701 -13.195 1.00 33.20 ? 375 TYR A C 1 ATOM 5579 O O . TYR A 1 363 ? -19.652 16.807 -12.985 1.00 33.94 ? 375 TYR A O 1 ATOM 5580 C CB . TYR A 1 363 ? -22.548 16.447 -12.988 1.00 31.14 ? 375 TYR A CB 1 ATOM 5581 C CG . TYR A 1 363 ? -23.899 16.590 -13.655 1.00 30.09 ? 375 TYR A CG 1 ATOM 5582 C CD1 . TYR A 1 363 ? -24.015 17.205 -14.908 1.00 29.63 ? 375 TYR A CD1 1 ATOM 5583 C CD2 . TYR A 1 363 ? -25.047 16.093 -13.064 1.00 29.17 ? 375 TYR A CD2 1 ATOM 5584 C CE1 . TYR A 1 363 ? -25.240 17.348 -15.525 1.00 29.95 ? 375 TYR A CE1 1 ATOM 5585 C CE2 . TYR A 1 363 ? -26.298 16.229 -13.683 1.00 29.19 ? 375 TYR A CE2 1 ATOM 5586 C CZ . TYR A 1 363 ? -26.385 16.868 -14.899 1.00 29.60 ? 375 TYR A CZ 1 ATOM 5587 O OH . TYR A 1 363 ? -27.598 17.012 -15.518 1.00 30.57 ? 375 TYR A OH 1 ATOM 5588 H H . TYR A 1 363 ? -22.185 13.874 -13.237 1.00 37.80 ? 375 TYR A H 1 ATOM 5589 H HA . TYR A 1 363 ? -21.499 16.053 -14.698 1.00 38.72 ? 375 TYR A HA 1 ATOM 5590 H HB2 . TYR A 1 363 ? -22.681 16.001 -12.137 1.00 37.37 ? 375 TYR A HB2 1 ATOM 5591 H HB3 . TYR A 1 363 ? -22.189 17.336 -12.844 1.00 37.37 ? 375 TYR A HB3 1 ATOM 5592 H HD1 . TYR A 1 363 ? -23.255 17.546 -15.321 1.00 35.56 ? 375 TYR A HD1 1 ATOM 5593 H HD2 . TYR A 1 363 ? -24.990 15.679 -12.233 1.00 35.00 ? 375 TYR A HD2 1 ATOM 5594 H HE1 . TYR A 1 363 ? -25.302 17.774 -16.349 1.00 35.94 ? 375 TYR A HE1 1 ATOM 5595 H HE2 . TYR A 1 363 ? -27.065 15.906 -13.267 1.00 35.03 ? 375 TYR A HE2 1 ATOM 5596 H HH . TYR A 1 363 ? -28.206 16.683 -15.039 1.00 36.68 ? 375 TYR A HH 1 ATOM 5597 N N . SER A 1 364 ? -19.583 14.550 -12.860 1.00 34.51 ? 376 SER A N 1 ATOM 5598 C CA . SER A 1 364 ? -18.240 14.487 -12.275 1.00 36.49 ? 376 SER A CA 1 ATOM 5599 C C . SER A 1 364 ? -18.154 15.310 -10.993 1.00 36.68 ? 376 SER A C 1 ATOM 5600 O O . SER A 1 364 ? -17.278 16.163 -10.826 1.00 38.06 ? 376 SER A O 1 ATOM 5601 C CB . SER A 1 364 ? -17.167 14.905 -13.285 1.00 38.96 ? 376 SER A CB 1 ATOM 5602 O OG . SER A 1 364 ? -17.185 14.074 -14.432 1.00 41.02 ? 376 SER A OG 1 ATOM 5603 H H . SER A 1 364 ? -19.948 13.778 -12.965 1.00 41.41 ? 376 SER A H 1 ATOM 5604 H HA . SER A 1 364 ? -18.060 13.565 -12.034 1.00 43.79 ? 376 SER A HA 1 ATOM 5605 H HB2 . SER A 1 364 ? -17.333 15.821 -13.559 1.00 46.75 ? 376 SER A HB2 1 ATOM 5606 H HB3 . SER A 1 364 ? -16.296 14.840 -12.863 1.00 46.75 ? 376 SER A HB3 1 ATOM 5607 H HG . SER A 1 364 ? -16.591 14.318 -14.974 1.00 49.22 ? 376 SER A HG 1 ATOM 5608 N N . VAL A 1 365 ? -19.085 15.047 -10.077 1.00 36.45 ? 377 VAL A N 1 ATOM 5609 C CA . VAL A 1 365 ? -19.098 15.691 -8.779 1.00 33.91 ? 377 VAL A CA 1 ATOM 5610 C C . VAL A 1 365 ? -18.943 14.624 -7.700 1.00 34.00 ? 377 VAL A C 1 ATOM 5611 O O . VAL A 1 365 ? -19.196 13.437 -7.918 1.00 33.23 ? 377 VAL A O 1 ATOM 5612 C CB . VAL A 1 365 ? -20.338 16.576 -8.541 1.00 34.33 ? 377 VAL A CB 1 ATOM 5613 C CG1 . VAL A 1 365 ? -20.357 17.714 -9.528 1.00 34.20 ? 377 VAL A CG1 1 ATOM 5614 C CG2 . VAL A 1 365 ? -21.629 15.763 -8.617 1.00 33.83 ? 377 VAL A CG2 1 ATOM 5615 H H . VAL A 1 365 ? -19.729 14.489 -10.193 1.00 43.74 ? 377 VAL A H 1 ATOM 5616 H HA . VAL A 1 365 ? -18.321 16.269 -8.722 1.00 40.69 ? 377 VAL A HA 1 ATOM 5617 H HB . VAL A 1 365 ? -20.281 16.958 -7.651 1.00 41.19 ? 377 VAL A HB 1 ATOM 5618 H HG11 . VAL A 1 365 ? -21.142 18.260 -9.365 1.00 41.04 ? 377 VAL A HG11 1 ATOM 5619 H HG12 . VAL A 1 365 ? -19.554 18.246 -9.412 1.00 41.04 ? 377 VAL A HG12 1 ATOM 5620 H HG13 . VAL A 1 365 ? -20.387 17.351 -10.427 1.00 41.04 ? 377 VAL A HG13 1 ATOM 5621 H HG21 . VAL A 1 365 ? -22.383 16.353 -8.463 1.00 40.59 ? 377 VAL A HG21 1 ATOM 5622 H HG22 . VAL A 1 365 ? -21.697 15.361 -9.497 1.00 40.59 ? 377 VAL A HG22 1 ATOM 5623 H HG23 . VAL A 1 365 ? -21.606 15.071 -7.937 1.00 40.59 ? 377 VAL A HG23 1 ATOM 5624 N N . ALA A 1 366 ? -18.497 15.067 -6.521 1.00 33.40 ? 378 ALA A N 1 ATOM 5625 C CA . ALA A 1 366 ? -18.153 14.129 -5.458 1.00 34.68 ? 378 ALA A CA 1 ATOM 5626 C C . ALA A 1 366 ? -19.371 13.595 -4.722 1.00 33.75 ? 378 ALA A C 1 ATOM 5627 O O . ALA A 1 366 ? -19.351 12.451 -4.256 1.00 35.31 ? 378 ALA A O 1 ATOM 5628 C CB . ALA A 1 366 ? -17.231 14.797 -4.437 1.00 36.15 ? 378 ALA A CB 1 ATOM 5629 H H . ALA A 1 366 ? -18.387 15.896 -6.317 1.00 40.08 ? 378 ALA A H 1 ATOM 5630 H HA . ALA A 1 366 ? -17.679 13.374 -5.843 1.00 41.62 ? 378 ALA A HA 1 ATOM 5631 H HB1 . ALA A 1 366 ? -17.015 14.157 -3.741 1.00 43.38 ? 378 ALA A HB1 1 ATOM 5632 H HB2 . ALA A 1 366 ? -16.421 15.085 -4.885 1.00 43.38 ? 378 ALA A HB2 1 ATOM 5633 H HB3 . ALA A 1 366 ? -17.688 15.562 -4.054 1.00 43.38 ? 378 ALA A HB3 1 ATOM 5634 N N . ASP A 1 367 ? -20.408 14.407 -4.579 1.00 31.78 ? 379 ASP A N 1 ATOM 5635 C CA . ASP A 1 367 ? -21.572 14.093 -3.761 1.00 30.64 ? 379 ASP A CA 1 ATOM 5636 C C . ASP A 1 367 ? -22.616 15.162 -4.052 1.00 29.71 ? 379 ASP A C 1 ATOM 5637 O O . ASP A 1 367 ? -22.437 15.984 -4.961 1.00 29.36 ? 379 ASP A O 1 ATOM 5638 C CB . ASP A 1 367 ? -21.210 14.009 -2.273 1.00 32.54 ? 379 ASP A CB 1 ATOM 5639 C CG . ASP A 1 367 ? -20.610 15.279 -1.748 1.00 34.58 ? 379 ASP A CG 1 ATOM 5640 O OD1 . ASP A 1 367 ? -21.023 16.378 -2.181 1.00 33.67 ? 379 ASP A OD1 1 ATOM 5641 O OD2 . ASP A 1 367 ? -19.721 15.174 -0.879 1.00 37.06 ? 379 ASP A OD2 1 ATOM 5642 H H . ASP A 1 367 ? -20.462 15.176 -4.960 1.00 38.14 ? 379 ASP A H 1 ATOM 5643 H HA . ASP A 1 367 ? -21.932 13.235 -4.034 1.00 36.77 ? 379 ASP A HA 1 ATOM 5644 H HB2 . ASP A 1 367 ? -22.014 13.823 -1.763 1.00 39.05 ? 379 ASP A HB2 1 ATOM 5645 H HB3 . ASP A 1 367 ? -20.564 13.297 -2.145 1.00 39.05 ? 379 ASP A HB3 1 ATOM 5646 N N . LEU A 1 368 ? -23.706 15.156 -3.273 1.00 28.47 ? 380 LEU A N 1 ATOM 5647 C CA . LEU A 1 368 ? -24.815 16.084 -3.456 1.00 27.92 ? 380 LEU A CA 1 ATOM 5648 C C . LEU A 1 368 ? -24.815 17.224 -2.452 1.00 28.17 ? 380 LEU A C 1 ATOM 5649 O O . LEU A 1 368 ? -25.830 17.909 -2.313 1.00 28.01 ? 380 LEU A O 1 ATOM 5650 C CB . LEU A 1 368 ? -26.148 15.332 -3.432 1.00 28.61 ? 380 LEU A CB 1 ATOM 5651 C CG . LEU A 1 368 ? -26.592 14.702 -4.753 1.00 29.75 ? 380 LEU A CG 1 ATOM 5652 C CD1 . LEU A 1 368 ? -25.459 14.114 -5.582 1.00 32.19 ? 380 LEU A CD1 1 ATOM 5653 C CD2 . LEU A 1 368 ? -27.748 13.687 -4.545 1.00 29.72 ? 380 LEU A CD2 1 ATOM 5654 H H . LEU A 1 368 ? -23.823 14.610 -2.620 1.00 34.16 ? 380 LEU A H 1 ATOM 5655 H HA . LEU A 1 368 ? -24.730 16.483 -4.337 1.00 33.50 ? 380 LEU A HA 1 ATOM 5656 H HB2 . LEU A 1 368 ? -26.082 14.618 -2.779 1.00 34.33 ? 380 LEU A HB2 1 ATOM 5657 H HB3 . LEU A 1 368 ? -26.843 15.952 -3.161 1.00 34.33 ? 380 LEU A HB3 1 ATOM 5658 H HG . LEU A 1 368 ? -26.964 15.418 -5.290 1.00 35.70 ? 380 LEU A HG 1 ATOM 5659 H HD11 . LEU A 1 368 ? -25.827 13.738 -6.397 1.00 38.63 ? 380 LEU A HD11 1 ATOM 5660 H HD12 . LEU A 1 368 ? -24.828 14.819 -5.798 1.00 38.63 ? 380 LEU A HD12 1 ATOM 5661 H HD13 . LEU A 1 368 ? -25.018 13.421 -5.067 1.00 38.63 ? 380 LEU A HD13 1 ATOM 5662 H HD21 . LEU A 1 368 ? -27.997 13.313 -5.405 1.00 35.66 ? 380 LEU A HD21 1 ATOM 5663 H HD22 . LEU A 1 368 ? -27.446 12.982 -3.952 1.00 35.66 ? 380 LEU A HD22 1 ATOM 5664 H HD23 . LEU A 1 368 ? -28.506 14.149 -4.153 1.00 35.66 ? 380 LEU A HD23 1 ATOM 5665 N N . GLN A 1 369 ? -23.693 17.465 -1.774 1.00 29.01 ? 381 GLN A N 1 ATOM 5666 C CA . GLN A 1 369 ? -23.637 18.561 -0.823 1.00 30.70 ? 381 GLN A CA 1 ATOM 5667 C C . GLN A 1 369 ? -23.762 19.898 -1.556 1.00 29.04 ? 381 GLN A C 1 ATOM 5668 O O . GLN A 1 369 ? -23.428 20.001 -2.741 1.00 29.60 ? 381 GLN A O 1 ATOM 5669 C CB . GLN A 1 369 ? -22.337 18.505 -0.039 1.00 33.41 ? 381 GLN A CB 1 ATOM 5670 C CG . GLN A 1 369 ? -22.269 17.288 0.839 1.00 37.06 ? 381 GLN A CG 1 ATOM 5671 C CD . GLN A 1 369 ? -21.096 17.325 1.769 1.00 39.37 ? 381 GLN A CD 1 ATOM 5672 O OE1 . GLN A 1 369 ? -21.176 17.908 2.846 1.00 39.85 ? 381 GLN A OE1 1 ATOM 5673 N NE2 . GLN A 1 369 ? -19.986 16.718 1.360 1.00 40.19 ? 381 GLN A NE2 1 ATOM 5674 H H . GLN A 1 369 ? -22.964 17.014 -1.848 1.00 34.81 ? 381 GLN A H 1 ATOM 5675 H HA . GLN A 1 369 ? -24.375 18.484 -0.199 1.00 36.84 ? 381 GLN A HA 1 ATOM 5676 H HB2 . GLN A 1 369 ? -21.591 18.474 -0.659 1.00 40.10 ? 381 GLN A HB2 1 ATOM 5677 H HB3 . GLN A 1 369 ? -22.271 19.291 0.526 1.00 40.10 ? 381 GLN A HB3 1 ATOM 5678 H HG2 . GLN A 1 369 ? -23.077 17.237 1.374 1.00 44.47 ? 381 GLN A HG2 1 ATOM 5679 H HG3 . GLN A 1 369 ? -22.188 16.498 0.281 1.00 44.47 ? 381 GLN A HG3 1 ATOM 5680 H HE21 . GLN A 1 369 ? -19.966 16.329 0.593 1.00 48.23 ? 381 GLN A HE21 1 ATOM 5681 H HE22 . GLN A 1 369 ? -19.288 16.714 1.862 1.00 48.23 ? 381 GLN A HE22 1 ATOM 5682 N N . PRO A 1 370 ? -24.302 20.922 -0.898 1.00 28.92 ? 382 PRO A N 1 ATOM 5683 C CA . PRO A 1 370 ? -24.448 22.212 -1.580 1.00 29.30 ? 382 PRO A CA 1 ATOM 5684 C C . PRO A 1 370 ? -23.196 22.723 -2.282 1.00 31.17 ? 382 PRO A C 1 ATOM 5685 O O . PRO A 1 370 ? -23.298 23.268 -3.391 1.00 31.18 ? 382 PRO A O 1 ATOM 5686 C CB . PRO A 1 370 ? -24.901 23.135 -0.443 1.00 29.45 ? 382 PRO A CB 1 ATOM 5687 C CG . PRO A 1 370 ? -25.650 22.213 0.506 1.00 29.47 ? 382 PRO A CG 1 ATOM 5688 C CD . PRO A 1 370 ? -24.832 20.963 0.481 1.00 29.29 ? 382 PRO A CD 1 ATOM 5689 H HA . PRO A 1 370 ? -25.163 22.154 -2.233 1.00 35.16 ? 382 PRO A HA 1 ATOM 5690 H HB2 . PRO A 1 370 ? -24.127 23.525 -0.007 1.00 35.34 ? 382 PRO A HB2 1 ATOM 5691 H HB3 . PRO A 1 370 ? -25.488 23.824 -0.791 1.00 35.34 ? 382 PRO A HB3 1 ATOM 5692 H HG2 . PRO A 1 370 ? -25.672 22.599 1.396 1.00 35.37 ? 382 PRO A HG2 1 ATOM 5693 H HG3 . PRO A 1 370 ? -26.547 22.050 0.173 1.00 35.37 ? 382 PRO A HG3 1 ATOM 5694 H HD2 . PRO A 1 370 ? -24.105 21.023 1.121 1.00 35.14 ? 382 PRO A HD2 1 ATOM 5695 H HD3 . PRO A 1 370 ? -25.392 20.190 0.651 1.00 35.14 ? 382 PRO A HD3 1 ATOM 5696 N N . LYS A 1 371 ? -22.025 22.597 -1.649 1.00 30.86 ? 383 LYS A N 1 ATOM 5697 C CA . LYS A 1 371 ? -20.781 23.031 -2.264 1.00 33.63 ? 383 LYS A CA 1 ATOM 5698 C C . LYS A 1 371 ? -20.572 22.328 -3.596 1.00 32.47 ? 383 LYS A C 1 ATOM 5699 O O . LYS A 1 371 ? -20.175 22.943 -4.593 1.00 32.55 ? 383 LYS A O 1 ATOM 5700 C CB . LYS A 1 371 ? -19.633 22.680 -1.323 1.00 37.79 ? 383 LYS A CB 1 ATOM 5701 C CG . LYS A 1 371 ? -18.330 23.231 -1.732 1.00 42.95 ? 383 LYS A CG 1 ATOM 5702 C CD . LYS A 1 371 ? -17.390 22.189 -2.307 1.00 45.68 ? 383 LYS A CD 1 ATOM 5703 C CE . LYS A 1 371 ? -16.001 22.782 -2.427 1.00 47.86 ? 383 LYS A CE 1 ATOM 5704 N NZ . LYS A 1 371 ? -16.019 24.113 -3.135 1.00 48.41 ? 383 LYS A NZ 1 ATOM 5705 H H . LYS A 1 371 ? -21.931 22.263 -0.863 1.00 37.03 ? 383 LYS A H 1 ATOM 5706 H HA . LYS A 1 371 ? -20.794 23.990 -2.407 1.00 40.36 ? 383 LYS A HA 1 ATOM 5707 H HB2 . LYS A 1 371 ? -19.836 23.026 -0.440 1.00 45.35 ? 383 LYS A HB2 1 ATOM 5708 H HB3 . LYS A 1 371 ? -19.546 21.714 -1.284 1.00 45.35 ? 383 LYS A HB3 1 ATOM 5709 H HG2 . LYS A 1 371 ? -18.475 23.909 -2.411 1.00 51.54 ? 383 LYS A HG2 1 ATOM 5710 H HG3 . LYS A 1 371 ? -17.900 23.626 -0.958 1.00 51.54 ? 383 LYS A HG3 1 ATOM 5711 H HD2 . LYS A 1 371 ? -17.351 21.422 -1.715 1.00 54.81 ? 383 LYS A HD2 1 ATOM 5712 H HD3 . LYS A 1 371 ? -17.694 21.927 -3.190 1.00 54.81 ? 383 LYS A HD3 1 ATOM 5713 H HE2 . LYS A 1 371 ? -15.633 22.916 -1.539 1.00 57.44 ? 383 LYS A HE2 1 ATOM 5714 H HE3 . LYS A 1 371 ? -15.438 22.176 -2.934 1.00 57.44 ? 383 LYS A HE3 1 ATOM 5715 H HZ1 . LYS A 1 371 ? -15.192 24.438 -3.192 1.00 58.10 ? 383 LYS A HZ1 1 ATOM 5716 H HZ2 . LYS A 1 371 ? -16.348 24.016 -3.956 1.00 58.10 ? 383 LYS A HZ2 1 ATOM 5717 H HZ3 . LYS A 1 371 ? -16.526 24.689 -2.686 1.00 58.10 ? 383 LYS A HZ3 1 ATOM 5718 N N . SER A 1 372 ? -20.799 21.024 -3.620 1.00 31.35 ? 384 SER A N 1 ATOM 5719 C CA . SER A 1 372 ? -20.486 20.273 -4.830 1.00 31.14 ? 384 SER A CA 1 ATOM 5720 C C . SER A 1 372 ? -21.396 20.705 -5.963 1.00 31.22 ? 384 SER A C 1 ATOM 5721 O O . SER A 1 372 ? -20.954 20.849 -7.108 1.00 32.06 ? 384 SER A O 1 ATOM 5722 C CB . SER A 1 372 ? -20.667 18.780 -4.599 1.00 32.89 ? 384 SER A CB 1 ATOM 5723 O OG . SER A 1 372 ? -19.841 18.346 -3.547 1.00 34.31 ? 384 SER A OG 1 ATOM 5724 H H . SER A 1 372 ? -21.123 20.559 -2.973 1.00 37.62 ? 384 SER A H 1 ATOM 5725 H HA . SER A 1 372 ? -19.566 20.439 -5.089 1.00 37.37 ? 384 SER A HA 1 ATOM 5726 H HB2 . SER A 1 372 ? -21.593 18.604 -4.370 1.00 39.47 ? 384 SER A HB2 1 ATOM 5727 H HB3 . SER A 1 372 ? -20.427 18.302 -5.409 1.00 39.47 ? 384 SER A HB3 1 ATOM 5728 H HG . SER A 1 372 ? -19.944 17.521 -3.423 1.00 41.17 ? 384 SER A HG 1 ATOM 5729 N N . LEU A 1 373 ? -22.680 20.926 -5.662 1.00 30.03 ? 385 LEU A N 1 ATOM 5730 C CA . LEU A 1 373 ? -23.593 21.351 -6.724 1.00 31.39 ? 385 LEU A CA 1 ATOM 5731 C C . LEU A 1 373 ? -23.391 22.815 -7.091 1.00 29.99 ? 385 LEU A C 1 ATOM 5732 O O . LEU A 1 373 ? -23.553 23.194 -8.260 1.00 29.20 ? 385 LEU A O 1 ATOM 5733 C CB . LEU A 1 373 ? -25.045 21.107 -6.321 1.00 32.58 ? 385 LEU A CB 1 ATOM 5734 C CG . LEU A 1 373 ? -25.410 19.663 -5.992 1.00 33.00 ? 385 LEU A CG 1 ATOM 5735 C CD1 . LEU A 1 373 ? -26.882 19.572 -5.671 1.00 34.01 ? 385 LEU A CD1 1 ATOM 5736 C CD2 . LEU A 1 373 ? -25.055 18.734 -7.144 1.00 32.87 ? 385 LEU A CD2 1 ATOM 5737 H H . LEU A 1 373 ? -23.035 20.840 -4.883 1.00 36.03 ? 385 LEU A H 1 ATOM 5738 H HA . LEU A 1 373 ? -23.414 20.821 -7.516 1.00 37.67 ? 385 LEU A HA 1 ATOM 5739 H HB2 . LEU A 1 373 ? -25.237 21.640 -5.534 1.00 39.10 ? 385 LEU A HB2 1 ATOM 5740 H HB3 . LEU A 1 373 ? -25.617 21.391 -7.051 1.00 39.10 ? 385 LEU A HB3 1 ATOM 5741 H HG . LEU A 1 373 ? -24.911 19.378 -5.210 1.00 39.60 ? 385 LEU A HG 1 ATOM 5742 H HD11 . LEU A 1 373 ? -27.104 18.651 -5.463 1.00 40.82 ? 385 LEU A HD11 1 ATOM 5743 H HD12 . LEU A 1 373 ? -27.074 20.139 -4.907 1.00 40.82 ? 385 LEU A HD12 1 ATOM 5744 H HD13 . LEU A 1 373 ? -27.392 19.870 -6.440 1.00 40.82 ? 385 LEU A HD13 1 ATOM 5745 H HD21 . LEU A 1 373 ? -25.299 17.827 -6.904 1.00 39.44 ? 385 LEU A HD21 1 ATOM 5746 H HD22 . LEU A 1 373 ? -25.545 19.011 -7.934 1.00 39.44 ? 385 LEU A HD22 1 ATOM 5747 H HD23 . LEU A 1 373 ? -24.101 18.788 -7.311 1.00 39.44 ? 385 LEU A HD23 1 ATOM 5748 N N . TYR A 1 374 ? -23.081 23.654 -6.107 1.00 29.60 ? 386 TYR A N 1 ATOM 5749 C CA . TYR A 1 374 ? -22.796 25.051 -6.386 1.00 30.16 ? 386 TYR A CA 1 ATOM 5750 C C . TYR A 1 374 ? -21.656 25.191 -7.378 1.00 30.91 ? 386 TYR A C 1 ATOM 5751 O O . TYR A 1 374 ? -21.728 25.999 -8.302 1.00 30.70 ? 386 TYR A O 1 ATOM 5752 C CB . TYR A 1 374 ? -22.422 25.758 -5.082 1.00 31.99 ? 386 TYR A CB 1 ATOM 5753 C CG . TYR A 1 374 ? -22.305 27.243 -5.224 1.00 36.42 ? 386 TYR A CG 1 ATOM 5754 C CD1 . TYR A 1 374 ? -23.449 28.009 -5.331 1.00 39.55 ? 386 TYR A CD1 1 ATOM 5755 C CD2 . TYR A 1 374 ? -21.072 27.888 -5.237 1.00 37.74 ? 386 TYR A CD2 1 ATOM 5756 C CE1 . TYR A 1 374 ? -23.397 29.366 -5.461 1.00 40.57 ? 386 TYR A CE1 1 ATOM 5757 C CE2 . TYR A 1 374 ? -21.004 29.276 -5.355 1.00 38.70 ? 386 TYR A CE2 1 ATOM 5758 C CZ . TYR A 1 374 ? -22.183 29.997 -5.468 1.00 40.35 ? 386 TYR A CZ 1 ATOM 5759 O OH . TYR A 1 374 ? -22.182 31.362 -5.590 1.00 42.18 ? 386 TYR A OH 1 ATOM 5760 H H . TYR A 1 374 ? -23.029 23.438 -5.276 1.00 35.52 ? 386 TYR A H 1 ATOM 5761 H HA . TYR A 1 374 ? -23.585 25.477 -6.755 1.00 36.19 ? 386 TYR A HA 1 ATOM 5762 H HB2 . TYR A 1 374 ? -23.105 25.575 -4.418 1.00 38.39 ? 386 TYR A HB2 1 ATOM 5763 H HB3 . TYR A 1 374 ? -21.566 25.420 -4.776 1.00 38.39 ? 386 TYR A HB3 1 ATOM 5764 H HD1 . TYR A 1 374 ? -24.278 27.586 -5.325 1.00 47.46 ? 386 TYR A HD1 1 ATOM 5765 H HD2 . TYR A 1 374 ? -20.289 27.392 -5.158 1.00 45.29 ? 386 TYR A HD2 1 ATOM 5766 H HE1 . TYR A 1 374 ? -24.182 29.861 -5.531 1.00 48.69 ? 386 TYR A HE1 1 ATOM 5767 H HE2 . TYR A 1 374 ? -20.181 29.710 -5.366 1.00 46.44 ? 386 TYR A HE2 1 ATOM 5768 H HH . TYR A 1 374 ? -21.394 31.651 -5.584 1.00 50.61 ? 386 TYR A HH 1 ATOM 5769 N N . ALA A 1 375 ? -20.589 24.419 -7.199 1.00 31.91 ? 387 ALA A N 1 ATOM 5770 C CA . ALA A 1 375 ? -19.474 24.493 -8.133 1.00 33.83 ? 387 ALA A CA 1 ATOM 5771 C C . ALA A 1 375 ? -19.873 23.963 -9.505 1.00 33.86 ? 387 ALA A C 1 ATOM 5772 O O . ALA A 1 375 ? -19.454 24.501 -10.536 1.00 36.24 ? 387 ALA A O 1 ATOM 5773 C CB . ALA A 1 375 ? -18.274 23.733 -7.571 1.00 34.26 ? 387 ALA A CB 1 ATOM 5774 H H . ALA A 1 375 ? -20.488 23.854 -6.558 1.00 38.29 ? 387 ALA A H 1 ATOM 5775 H HA . ALA A 1 375 ? -19.214 25.422 -8.238 1.00 40.59 ? 387 ALA A HA 1 ATOM 5776 H HB1 . ALA A 1 375 ? -17.540 23.791 -8.202 1.00 41.11 ? 387 ALA A HB1 1 ATOM 5777 H HB2 . ALA A 1 375 ? -18.016 24.132 -6.725 1.00 41.11 ? 387 ALA A HB2 1 ATOM 5778 H HB3 . ALA A 1 375 ? -18.523 22.805 -7.437 1.00 41.11 ? 387 ALA A HB3 1 ATOM 5779 N N . LEU A 1 376 ? -20.687 22.908 -9.546 1.00 32.73 ? 388 LEU A N 1 ATOM 5780 C CA . LEU A 1 376 ? -21.152 22.400 -10.828 1.00 32.59 ? 388 LEU A CA 1 ATOM 5781 C C . LEU A 1 376 ? -21.925 23.470 -11.589 1.00 33.56 ? 388 LEU A C 1 ATOM 5782 O O . LEU A 1 376 ? -21.769 23.616 -12.800 1.00 32.76 ? 388 LEU A O 1 ATOM 5783 C CB . LEU A 1 376 ? -22.021 21.163 -10.602 1.00 31.66 ? 388 LEU A CB 1 ATOM 5784 C CG . LEU A 1 376 ? -22.779 20.615 -11.818 1.00 31.05 ? 388 LEU A CG 1 ATOM 5785 C CD1 . LEU A 1 376 ? -21.812 20.089 -12.876 1.00 31.12 ? 388 LEU A CD1 1 ATOM 5786 C CD2 . LEU A 1 376 ? -23.746 19.537 -11.405 1.00 30.74 ? 388 LEU A CD2 1 ATOM 5787 H H . LEU A 1 376 ? -20.978 22.480 -8.859 1.00 39.28 ? 388 LEU A H 1 ATOM 5788 H HA . LEU A 1 376 ? -20.387 22.139 -11.365 1.00 39.11 ? 388 LEU A HA 1 ATOM 5789 H HB2 . LEU A 1 376 ? -21.451 20.449 -10.275 1.00 38.00 ? 388 LEU A HB2 1 ATOM 5790 H HB3 . LEU A 1 376 ? -22.683 21.379 -9.926 1.00 38.00 ? 388 LEU A HB3 1 ATOM 5791 H HG . LEU A 1 376 ? -23.292 21.336 -12.217 1.00 37.26 ? 388 LEU A HG 1 ATOM 5792 H HD11 . LEU A 1 376 ? -22.322 19.751 -13.629 1.00 37.34 ? 388 LEU A HD11 1 ATOM 5793 H HD12 . LEU A 1 376 ? -21.236 20.814 -13.165 1.00 37.34 ? 388 LEU A HD12 1 ATOM 5794 H HD13 . LEU A 1 376 ? -21.279 19.376 -12.490 1.00 37.34 ? 388 LEU A HD13 1 ATOM 5795 H HD21 . LEU A 1 376 ? -24.210 19.210 -12.192 1.00 36.89 ? 388 LEU A HD21 1 ATOM 5796 H HD22 . LEU A 1 376 ? -23.253 18.813 -10.988 1.00 36.89 ? 388 LEU A HD22 1 ATOM 5797 H HD23 . LEU A 1 376 ? -24.384 19.909 -10.776 1.00 36.89 ? 388 LEU A HD23 1 ATOM 5798 N N . VAL A 1 377 ? -22.766 24.237 -10.899 1.00 34.52 ? 389 VAL A N 1 ATOM 5799 C CA . VAL A 1 377 ? -23.602 25.165 -11.647 1.00 35.73 ? 389 VAL A CA 1 ATOM 5800 C C . VAL A 1 377 ? -22.797 26.351 -12.152 1.00 37.40 ? 389 VAL A C 1 ATOM 5801 O O . VAL A 1 377 ? -23.167 26.972 -13.155 1.00 37.17 ? 389 VAL A O 1 ATOM 5802 C CB . VAL A 1 377 ? -24.850 25.582 -10.862 1.00 35.96 ? 389 VAL A CB 1 ATOM 5803 C CG1 . VAL A 1 377 ? -25.640 26.602 -11.673 1.00 35.98 ? 389 VAL A CG1 1 ATOM 5804 C CG2 . VAL A 1 377 ? -25.720 24.367 -10.583 1.00 34.86 ? 389 VAL A CG2 1 ATOM 5805 H H . VAL A 1 377 ? -22.867 24.242 -10.045 1.00 41.42 ? 389 VAL A H 1 ATOM 5806 H HA . VAL A 1 377 ? -23.920 24.696 -12.435 1.00 42.88 ? 389 VAL A HA 1 ATOM 5807 H HB . VAL A 1 377 ? -24.591 25.984 -10.018 1.00 43.15 ? 389 VAL A HB 1 ATOM 5808 H HG11 . VAL A 1 377 ? -26.428 26.862 -11.171 1.00 43.17 ? 389 VAL A HG11 1 ATOM 5809 H HG12 . VAL A 1 377 ? -25.079 27.378 -11.835 1.00 43.17 ? 389 VAL A HG12 1 ATOM 5810 H HG13 . VAL A 1 377 ? -25.901 26.201 -12.516 1.00 43.17 ? 389 VAL A HG13 1 ATOM 5811 H HG21 . VAL A 1 377 ? -26.504 24.647 -10.086 1.00 41.83 ? 389 VAL A HG21 1 ATOM 5812 H HG22 . VAL A 1 377 ? -25.986 23.969 -11.426 1.00 41.83 ? 389 VAL A HG22 1 ATOM 5813 H HG23 . VAL A 1 377 ? -25.209 23.727 -10.062 1.00 41.83 ? 389 VAL A HG23 1 ATOM 5814 N N . GLN A 1 378 ? -21.707 26.706 -11.468 1.00 37.63 ? 390 GLN A N 1 ATOM 5815 C CA . GLN A 1 378 ? -20.757 27.649 -12.052 1.00 38.98 ? 390 GLN A CA 1 ATOM 5816 C C . GLN A 1 378 ? -20.317 27.151 -13.425 1.00 38.37 ? 390 GLN A C 1 ATOM 5817 O O . GLN A 1 378 ? -20.235 27.928 -14.383 1.00 38.25 ? 390 GLN A O 1 ATOM 5818 C CB . GLN A 1 378 ? -19.521 27.803 -11.159 1.00 40.27 ? 390 GLN A CB 1 ATOM 5819 C CG . GLN A 1 378 ? -19.812 28.139 -9.730 1.00 42.42 ? 390 GLN A CG 1 ATOM 5820 C CD . GLN A 1 378 ? -20.622 29.386 -9.591 1.00 42.46 ? 390 GLN A CD 1 ATOM 5821 O OE1 . GLN A 1 378 ? -21.539 29.444 -8.786 1.00 44.75 ? 390 GLN A OE1 1 ATOM 5822 N NE2 . GLN A 1 378 ? -20.306 30.391 -10.382 1.00 40.92 ? 390 GLN A NE2 1 ATOM 5823 H H . GLN A 1 378 ? -21.500 26.422 -10.683 1.00 45.16 ? 390 GLN A H 1 ATOM 5824 H HA . GLN A 1 378 ? -21.178 28.517 -12.155 1.00 46.77 ? 390 GLN A HA 1 ATOM 5825 H HB2 . GLN A 1 378 ? -19.028 26.967 -11.169 1.00 48.32 ? 390 GLN A HB2 1 ATOM 5826 H HB3 . GLN A 1 378 ? -18.967 28.512 -11.520 1.00 48.32 ? 390 GLN A HB3 1 ATOM 5827 H HG2 . GLN A 1 378 ? -20.310 27.410 -9.327 1.00 50.90 ? 390 GLN A HG2 1 ATOM 5828 H HG3 . GLN A 1 378 ? -18.974 28.270 -9.258 1.00 50.90 ? 390 GLN A HG3 1 ATOM 5829 H HE21 . GLN A 1 378 ? -19.660 30.310 -10.943 1.00 49.10 ? 390 GLN A HE21 1 ATOM 5830 H HE22 . GLN A 1 378 ? -20.746 31.129 -10.336 1.00 49.10 ? 390 GLN A HE22 1 ATOM 5831 N N . GLN A 1 379 ? -20.038 25.847 -13.536 1.00 37.65 ? 391 GLN A N 1 ATOM 5832 C CA . GLN A 1 379 ? -19.654 25.272 -14.818 1.00 38.08 ? 391 GLN A CA 1 ATOM 5833 C C . GLN A 1 379 ? -20.776 25.426 -15.836 1.00 36.29 ? 391 GLN A C 1 ATOM 5834 O O . GLN A 1 379 ? -20.530 25.830 -16.979 1.00 35.45 ? 391 GLN A O 1 ATOM 5835 C CB . GLN A 1 379 ? -19.304 23.789 -14.654 1.00 41.27 ? 391 GLN A CB 1 ATOM 5836 C CG . GLN A 1 379 ? -18.231 23.464 -13.633 1.00 45.22 ? 391 GLN A CG 1 ATOM 5837 C CD . GLN A 1 379 ? -18.046 21.970 -13.507 1.00 49.09 ? 391 GLN A CD 1 ATOM 5838 O OE1 . GLN A 1 379 ? -18.084 21.263 -14.504 1.00 52.09 ? 391 GLN A OE1 1 ATOM 5839 N NE2 . GLN A 1 379 ? -17.894 21.477 -12.285 1.00 50.88 ? 391 GLN A NE2 1 ATOM 5840 H H . GLN A 1 379 ? -20.065 25.283 -12.887 1.00 45.18 ? 391 GLN A H 1 ATOM 5841 H HA . GLN A 1 379 ? -18.871 25.734 -15.155 1.00 45.69 ? 391 GLN A HA 1 ATOM 5842 H HB2 . GLN A 1 379 ? -20.108 23.314 -14.389 1.00 49.52 ? 391 GLN A HB2 1 ATOM 5843 H HB3 . GLN A 1 379 ? -18.999 23.452 -15.511 1.00 49.52 ? 391 GLN A HB3 1 ATOM 5844 H HG2 . GLN A 1 379 ? -17.389 23.854 -13.914 1.00 54.26 ? 391 GLN A HG2 1 ATOM 5845 H HG3 . GLN A 1 379 ? -18.493 23.814 -12.767 1.00 54.26 ? 391 GLN A HG3 1 ATOM 5846 H HE21 . GLN A 1 379 ? -17.904 22.004 -11.605 1.00 61.05 ? 391 GLN A HE21 1 ATOM 5847 H HE22 . GLN A 1 379 ? -17.786 20.632 -12.173 1.00 61.05 ? 391 GLN A HE22 1 ATOM 5848 N N . PHE A 1 380 ? -22.016 25.089 -15.441 1.00 36.14 ? 392 PHE A N 1 ATOM 5849 C CA . PHE A 1 380 ? -23.158 25.237 -16.345 1.00 35.81 ? 392 PHE A CA 1 ATOM 5850 C C . PHE A 1 380 ? -23.127 26.585 -17.025 1.00 36.14 ? 392 PHE A C 1 ATOM 5851 O O . PHE A 1 380 ? -23.515 26.712 -18.185 1.00 36.61 ? 392 PHE A O 1 ATOM 5852 C CB . PHE A 1 380 ? -24.494 25.196 -15.596 1.00 36.23 ? 392 PHE A CB 1 ATOM 5853 C CG . PHE A 1 380 ? -24.970 23.828 -15.192 1.00 35.28 ? 392 PHE A CG 1 ATOM 5854 C CD1 . PHE A 1 380 ? -24.201 22.702 -15.358 1.00 34.94 ? 392 PHE A CD1 1 ATOM 5855 C CD2 . PHE A 1 380 ? -26.223 23.692 -14.612 1.00 35.24 ? 392 PHE A CD2 1 ATOM 5856 C CE1 . PHE A 1 380 ? -24.677 21.453 -14.960 1.00 34.31 ? 392 PHE A CE1 1 ATOM 5857 C CE2 . PHE A 1 380 ? -26.697 22.452 -14.203 1.00 34.52 ? 392 PHE A CE2 1 ATOM 5858 C CZ . PHE A 1 380 ? -25.917 21.335 -14.383 1.00 33.90 ? 392 PHE A CZ 1 ATOM 5859 H H . PHE A 1 380 ? -22.215 24.778 -14.664 1.00 43.36 ? 392 PHE A H 1 ATOM 5860 H HA . PHE A 1 380 ? -23.147 24.539 -17.018 1.00 42.97 ? 392 PHE A HA 1 ATOM 5861 H HB2 . PHE A 1 380 ? -24.408 25.724 -14.787 1.00 43.48 ? 392 PHE A HB2 1 ATOM 5862 H HB3 . PHE A 1 380 ? -25.177 25.585 -16.165 1.00 43.48 ? 392 PHE A HB3 1 ATOM 5863 H HD1 . PHE A 1 380 ? -23.358 22.772 -15.744 1.00 41.92 ? 392 PHE A HD1 1 ATOM 5864 H HD2 . PHE A 1 380 ? -26.751 24.447 -14.485 1.00 42.28 ? 392 PHE A HD2 1 ATOM 5865 H HE1 . PHE A 1 380 ? -24.149 20.697 -15.078 1.00 41.17 ? 392 PHE A HE1 1 ATOM 5866 H HE2 . PHE A 1 380 ? -27.541 22.376 -13.819 1.00 41.42 ? 392 PHE A HE2 1 ATOM 5867 H HZ . PHE A 1 380 ? -26.231 20.500 -14.120 1.00 40.68 ? 392 PHE A HZ 1 ATOM 5868 N N . ALA A 1 381 ? -22.746 27.622 -16.289 1.00 37.63 ? 393 ALA A N 1 ATOM 5869 C CA . ALA A 1 381 ? -22.943 28.976 -16.773 1.00 41.14 ? 393 ALA A CA 1 ATOM 5870 C C . ALA A 1 381 ? -21.934 29.351 -17.839 1.00 42.97 ? 393 ALA A C 1 ATOM 5871 O O . ALA A 1 381 ? -22.138 30.346 -18.542 1.00 45.58 ? 393 ALA A O 1 ATOM 5872 C CB . ALA A 1 381 ? -22.848 29.960 -15.593 1.00 42.44 ? 393 ALA A CB 1 ATOM 5873 H H . ALA A 1 381 ? -22.375 27.568 -15.514 1.00 45.15 ? 393 ALA A H 1 ATOM 5874 H HA . ALA A 1 381 ? -23.830 29.050 -17.157 1.00 49.37 ? 393 ALA A HA 1 ATOM 5875 H HB1 . ALA A 1 381 ? -22.980 30.862 -15.923 1.00 50.92 ? 393 ALA A HB1 1 ATOM 5876 H HB2 . ALA A 1 381 ? -23.535 29.741 -14.944 1.00 50.92 ? 393 ALA A HB2 1 ATOM 5877 H HB3 . ALA A 1 381 ? -21.971 29.881 -15.186 1.00 50.92 ? 393 ALA A HB3 1 ATOM 5878 N N . THR A 1 382 ? -20.856 28.586 -17.975 1.00 42.03 ? 394 THR A N 1 ATOM 5879 C CA . THR A 1 382 ? -19.838 28.905 -18.967 1.00 42.18 ? 394 THR A CA 1 ATOM 5880 C C . THR A 1 382 ? -20.365 28.613 -20.365 1.00 42.64 ? 394 THR A C 1 ATOM 5881 O O . THR A 1 382 ? -21.167 27.698 -20.578 1.00 41.77 ? 394 THR A O 1 ATOM 5882 C CB . THR A 1 382 ? -18.565 28.102 -18.713 1.00 42.19 ? 394 THR A CB 1 ATOM 5883 O OG1 . THR A 1 382 ? -18.831 26.710 -18.903 1.00 43.76 ? 394 THR A OG1 1 ATOM 5884 C CG2 . THR A 1 382 ? -18.068 28.306 -17.299 1.00 41.98 ? 394 THR A CG2 1 ATOM 5885 H H . THR A 1 382 ? -20.691 27.883 -17.508 1.00 50.44 ? 394 THR A H 1 ATOM 5886 H HA . THR A 1 382 ? -19.621 29.849 -18.913 1.00 50.61 ? 394 THR A HA 1 ATOM 5887 H HB . THR A 1 382 ? -17.872 28.388 -19.329 1.00 50.63 ? 394 THR A HB 1 ATOM 5888 H HG1 . THR A 1 382 ? -19.428 26.456 -18.370 1.00 52.52 ? 394 THR A HG1 1 ATOM 5889 H HG21 . THR A 1 382 ? -17.259 27.790 -17.154 1.00 50.38 ? 394 THR A HG21 1 ATOM 5890 H HG22 . THR A 1 382 ? -17.874 29.244 -17.148 1.00 50.38 ? 394 THR A HG22 1 ATOM 5891 H HG23 . THR A 1 382 ? -18.744 28.018 -16.665 1.00 50.38 ? 394 THR A HG23 1 ATOM 5892 N N . LYS A 1 383 ? -19.901 29.405 -21.321 1.00 44.91 ? 395 LYS A N 1 ATOM 5893 C CA . LYS A 1 383 ? -20.433 29.359 -22.679 1.00 45.58 ? 395 LYS A CA 1 ATOM 5894 C C . LYS A 1 383 ? -20.221 27.986 -23.298 1.00 43.86 ? 395 LYS A C 1 ATOM 5895 O O . LYS A 1 383 ? -19.124 27.422 -23.237 1.00 42.57 ? 395 LYS A O 1 ATOM 5896 C CB . LYS A 1 383 ? -19.752 30.425 -23.534 1.00 48.16 ? 395 LYS A CB 1 ATOM 5897 C CG . LYS A 1 383 ? -20.399 30.671 -24.889 1.00 50.06 ? 395 LYS A CG 1 ATOM 5898 C CD . LYS A 1 383 ? -19.440 31.409 -25.796 1.00 52.50 ? 395 LYS A CD 1 ATOM 5899 C CE . LYS A 1 383 ? -20.112 31.987 -27.041 1.00 53.94 ? 395 LYS A CE 1 ATOM 5900 N NZ . LYS A 1 383 ? -19.297 33.114 -27.587 1.00 55.55 ? 395 LYS A NZ 1 ATOM 5901 H H . LYS A 1 383 ? -19.274 29.983 -21.210 1.00 53.90 ? 395 LYS A H 1 ATOM 5902 H HA . LYS A 1 383 ? -21.385 29.543 -22.659 1.00 54.70 ? 395 LYS A HA 1 ATOM 5903 H HB2 . LYS A 1 383 ? -19.764 31.265 -23.048 1.00 57.80 ? 395 LYS A HB2 1 ATOM 5904 H HB3 . LYS A 1 383 ? -18.834 30.154 -23.693 1.00 57.80 ? 395 LYS A HB3 1 ATOM 5905 H HG2 . LYS A 1 383 ? -20.621 29.821 -25.302 1.00 60.07 ? 395 LYS A HG2 1 ATOM 5906 H HG3 . LYS A 1 383 ? -21.195 31.212 -24.776 1.00 60.07 ? 395 LYS A HG3 1 ATOM 5907 H HD2 . LYS A 1 383 ? -19.044 32.145 -25.303 1.00 62.99 ? 395 LYS A HD2 1 ATOM 5908 H HD3 . LYS A 1 383 ? -18.748 30.796 -26.088 1.00 62.99 ? 395 LYS A HD3 1 ATOM 5909 H HE2 . LYS A 1 383 ? -20.182 31.298 -27.721 1.00 64.73 ? 395 LYS A HE2 1 ATOM 5910 H HE3 . LYS A 1 383 ? -20.990 32.326 -26.808 1.00 64.73 ? 395 LYS A HE3 1 ATOM 5911 H HZ1 . LYS A 1 383 ? -19.689 33.449 -28.312 1.00 66.66 ? 395 LYS A HZ1 1 ATOM 5912 H HZ2 . LYS A 1 383 ? -19.219 33.757 -26.977 1.00 66.66 ? 395 LYS A HZ2 1 ATOM 5913 H HZ3 . LYS A 1 383 ? -18.484 32.823 -27.806 1.00 66.66 ? 395 LYS A HZ3 1 ATOM 5914 N N . ASP A 1 384 ? -21.291 27.463 -23.902 1.00 43.67 ? 396 ASP A N 1 ATOM 5915 C CA . ASP A 1 384 ? -21.317 26.145 -24.544 1.00 43.02 ? 396 ASP A CA 1 ATOM 5916 C C . ASP A 1 384 ? -20.951 25.020 -23.587 1.00 41.84 ? 396 ASP A C 1 ATOM 5917 O O . ASP A 1 384 ? -20.438 23.978 -24.005 1.00 42.49 ? 396 ASP A O 1 ATOM 5918 C CB . ASP A 1 384 ? -20.454 26.108 -25.808 1.00 44.91 ? 396 ASP A CB 1 ATOM 5919 C CG . ASP A 1 384 ? -20.959 27.064 -26.871 1.00 46.93 ? 396 ASP A CG 1 ATOM 5920 O OD1 . ASP A 1 384 ? -22.187 27.245 -26.978 1.00 47.48 ? 396 ASP A OD1 1 ATOM 5921 O OD2 . ASP A 1 384 ? -20.131 27.642 -27.600 1.00 48.17 ? 396 ASP A OD2 1 ATOM 5922 H H . ASP A 1 384 ? -22.045 27.873 -23.955 1.00 52.41 ? 396 ASP A H 1 ATOM 5923 H HA . ASP A 1 384 ? -22.229 25.978 -24.829 1.00 51.63 ? 396 ASP A HA 1 ATOM 5924 H HB2 . ASP A 1 384 ? -19.546 26.361 -25.581 1.00 53.89 ? 396 ASP A HB2 1 ATOM 5925 H HB3 . ASP A 1 384 ? -20.469 25.211 -26.177 1.00 53.89 ? 396 ASP A HB3 1 ATOM 5926 N N . SER A 1 385 ? -21.239 25.202 -22.302 1.00 39.97 ? 397 SER A N 1 ATOM 5927 C CA . SER A 1 385 ? -20.953 24.171 -21.321 1.00 38.84 ? 397 SER A CA 1 ATOM 5928 C C . SER A 1 385 ? -21.585 22.862 -21.745 1.00 38.84 ? 397 SER A C 1 ATOM 5929 O O . SER A 1 385 ? -22.793 22.800 -21.987 1.00 38.47 ? 397 SER A O 1 ATOM 5930 C CB . SER A 1 385 ? -21.529 24.591 -19.969 1.00 37.64 ? 397 SER A CB 1 ATOM 5931 O OG . SER A 1 385 ? -21.577 23.486 -19.081 1.00 38.22 ? 397 SER A OG 1 ATOM 5932 H H . SER A 1 385 ? -21.599 25.912 -21.977 1.00 47.97 ? 397 SER A H 1 ATOM 5933 H HA . SER A 1 385 ? -19.994 24.049 -21.234 1.00 46.60 ? 397 SER A HA 1 ATOM 5934 H HB2 . SER A 1 385 ? -20.966 25.281 -19.585 1.00 45.17 ? 397 SER A HB2 1 ATOM 5935 H HB3 . SER A 1 385 ? -22.428 24.930 -20.100 1.00 45.17 ? 397 SER A HB3 1 ATOM 5936 H HG . SER A 1 385 ? -21.895 23.725 -18.342 1.00 45.86 ? 397 SER A HG 1 ATOM 5937 N N . LYS A 1 386 ? -20.759 21.816 -21.838 1.00 39.09 ? 398 LYS A N 1 ATOM 5938 C CA . LYS A 1 386 ? -21.283 20.476 -22.092 1.00 39.53 ? 398 LYS A CA 1 ATOM 5939 C C . LYS A 1 386 ? -22.074 19.971 -20.891 1.00 36.81 ? 398 LYS A C 1 ATOM 5940 O O . LYS A 1 386 ? -22.966 19.121 -21.038 1.00 35.71 ? 398 LYS A O 1 ATOM 5941 C CB . LYS A 1 386 ? -20.128 19.516 -22.366 1.00 43.34 ? 398 LYS A CB 1 ATOM 5942 C CG . LYS A 1 386 ? -19.094 19.490 -21.225 1.00 47.17 ? 398 LYS A CG 1 ATOM 5943 C CD . LYS A 1 386 ? -18.447 18.126 -21.036 1.00 49.53 ? 398 LYS A CD 1 ATOM 5944 C CE . LYS A 1 386 ? -17.819 18.021 -19.666 1.00 51.74 ? 398 LYS A CE 1 ATOM 5945 N NZ . LYS A 1 386 ? -17.428 16.611 -19.347 1.00 53.75 ? 398 LYS A NZ 1 ATOM 5946 H H . LYS A 1 386 ? -19.904 21.857 -21.759 1.00 46.90 ? 398 LYS A H 1 ATOM 5947 H HA . LYS A 1 386 ? -21.866 20.493 -22.867 1.00 47.44 ? 398 LYS A HA 1 ATOM 5948 H HB2 . LYS A 1 386 ? -20.481 18.619 -22.472 1.00 52.01 ? 398 LYS A HB2 1 ATOM 5949 H HB3 . LYS A 1 386 ? -19.673 19.792 -23.177 1.00 52.01 ? 398 LYS A HB3 1 ATOM 5950 H HG2 . LYS A 1 386 ? -18.392 20.129 -21.422 1.00 56.61 ? 398 LYS A HG2 1 ATOM 5951 H HG3 . LYS A 1 386 ? -19.536 19.728 -20.395 1.00 56.61 ? 398 LYS A HG3 1 ATOM 5952 H HD2 . LYS A 1 386 ? -19.121 17.434 -21.118 1.00 59.44 ? 398 LYS A HD2 1 ATOM 5953 H HD3 . LYS A 1 386 ? -17.752 18.003 -21.702 1.00 59.44 ? 398 LYS A HD3 1 ATOM 5954 H HE2 . LYS A 1 386 ? -17.021 18.572 -19.637 1.00 62.08 ? 398 LYS A HE2 1 ATOM 5955 H HE3 . LYS A 1 386 ? -18.456 18.318 -18.998 1.00 62.08 ? 398 LYS A HE3 1 ATOM 5956 H HZ1 . LYS A 1 386 ? -17.061 16.573 -18.537 1.00 64.50 ? 398 LYS A HZ1 1 ATOM 5957 H HZ2 . LYS A 1 386 ? -18.146 16.086 -19.365 1.00 64.50 ? 398 LYS A HZ2 1 ATOM 5958 H HZ3 . LYS A 1 386 ? -16.839 16.316 -19.946 1.00 64.50 ? 398 LYS A HZ3 1 ATOM 5959 N N . GLN A 1 387 ? -21.746 20.467 -19.696 1.00 35.69 ? 399 GLN A N 1 ATOM 5960 C CA . GLN A 1 387 ? -22.463 20.057 -18.500 1.00 35.85 ? 399 GLN A CA 1 ATOM 5961 C C . GLN A 1 387 ? -23.902 20.543 -18.550 1.00 34.65 ? 399 GLN A C 1 ATOM 5962 O O . GLN A 1 387 ? -24.836 19.791 -18.219 1.00 33.06 ? 399 GLN A O 1 ATOM 5963 C CB . GLN A 1 387 ? -21.759 20.625 -17.268 1.00 39.47 ? 399 GLN A CB 1 ATOM 5964 C CG . GLN A 1 387 ? -20.335 20.152 -17.072 1.00 42.99 ? 399 GLN A CG 1 ATOM 5965 C CD . GLN A 1 387 ? -20.286 18.813 -16.430 1.00 47.08 ? 399 GLN A CD 1 ATOM 5966 O OE1 . GLN A 1 387 ? -20.890 17.854 -16.922 1.00 48.91 ? 399 GLN A OE1 1 ATOM 5967 N NE2 . GLN A 1 387 ? -19.598 18.729 -15.288 1.00 48.96 ? 399 GLN A NE2 1 ATOM 5968 H H . GLN A 1 387 ? -21.117 21.036 -19.557 1.00 42.83 ? 399 GLN A H 1 ATOM 5969 H HA . GLN A 1 387 ? -22.465 19.089 -18.437 1.00 43.02 ? 399 GLN A HA 1 ATOM 5970 H HB2 . GLN A 1 387 ? -21.739 21.592 -17.342 1.00 47.36 ? 399 GLN A HB2 1 ATOM 5971 H HB3 . GLN A 1 387 ? -22.264 20.370 -16.479 1.00 47.36 ? 399 GLN A HB3 1 ATOM 5972 H HG2 . GLN A 1 387 ? -19.897 20.091 -17.935 1.00 51.59 ? 399 GLN A HG2 1 ATOM 5973 H HG3 . GLN A 1 387 ? -19.866 20.780 -16.501 1.00 51.59 ? 399 GLN A HG3 1 ATOM 5974 H HE21 . GLN A 1 387 ? -19.214 19.428 -14.965 1.00 58.75 ? 399 GLN A HE21 1 ATOM 5975 H HE22 . GLN A 1 387 ? -19.538 17.977 -14.876 1.00 58.75 ? 399 GLN A HE22 1 ATOM 5976 N N . PHE A 1 388 ? -24.104 21.800 -18.968 1.00 33.10 ? 400 PHE A N 1 ATOM 5977 C CA . PHE A 1 388 ? -25.464 22.316 -19.067 1.00 32.85 ? 400 PHE A CA 1 ATOM 5978 C C . PHE A 1 388 ? -26.227 21.640 -20.190 1.00 32.48 ? 400 PHE A C 1 ATOM 5979 O O . PHE A 1 388 ? -27.432 21.363 -20.056 1.00 31.99 ? 400 PHE A O 1 ATOM 5980 C CB . PHE A 1 388 ? -25.502 23.822 -19.300 1.00 31.87 ? 400 PHE A CB 1 ATOM 5981 C CG . PHE A 1 388 ? -26.909 24.334 -19.397 1.00 32.65 ? 400 PHE A CG 1 ATOM 5982 C CD1 . PHE A 1 388 ? -27.675 24.462 -18.249 1.00 32.66 ? 400 PHE A CD1 1 ATOM 5983 C CD2 . PHE A 1 388 ? -27.508 24.585 -20.624 1.00 33.54 ? 400 PHE A CD2 1 ATOM 5984 C CE1 . PHE A 1 388 ? -28.978 24.895 -18.303 1.00 32.31 ? 400 PHE A CE1 1 ATOM 5985 C CE2 . PHE A 1 388 ? -28.826 25.023 -20.685 1.00 32.89 ? 400 PHE A CE2 1 ATOM 5986 C CZ . PHE A 1 388 ? -29.575 25.146 -19.512 1.00 32.87 ? 400 PHE A CZ 1 ATOM 5987 H H . PHE A 1 388 ? -23.486 22.354 -19.193 1.00 39.72 ? 400 PHE A H 1 ATOM 5988 H HA . PHE A 1 388 ? -25.930 22.131 -18.236 1.00 39.42 ? 400 PHE A HA 1 ATOM 5989 H HB2 . PHE A 1 388 ? -25.067 24.271 -18.559 1.00 38.24 ? 400 PHE A HB2 1 ATOM 5990 H HB3 . PHE A 1 388 ? -25.046 24.028 -20.131 1.00 38.24 ? 400 PHE A HB3 1 ATOM 5991 H HD1 . PHE A 1 388 ? -27.290 24.280 -17.422 1.00 39.19 ? 400 PHE A HD1 1 ATOM 5992 H HD2 . PHE A 1 388 ? -27.016 24.489 -21.407 1.00 40.25 ? 400 PHE A HD2 1 ATOM 5993 H HE1 . PHE A 1 388 ? -29.469 24.984 -17.518 1.00 38.78 ? 400 PHE A HE1 1 ATOM 5994 H HE2 . PHE A 1 388 ? -29.220 25.201 -21.509 1.00 39.47 ? 400 PHE A HE2 1 ATOM 5995 H HZ . PHE A 1 388 ? -30.453 25.451 -19.546 1.00 39.44 ? 400 PHE A HZ 1 ATOM 5996 N N . LEU A 1 389 ? -25.557 21.394 -21.316 1.00 32.50 ? 401 LEU A N 1 ATOM 5997 C CA . LEU A 1 389 ? -26.222 20.710 -22.410 1.00 32.98 ? 401 LEU A CA 1 ATOM 5998 C C . LEU A 1 389 ? -26.781 19.371 -21.954 1.00 32.46 ? 401 LEU A C 1 ATOM 5999 O O . LEU A 1 389 ? -27.912 19.011 -22.306 1.00 33.48 ? 401 LEU A O 1 ATOM 6000 C CB . LEU A 1 389 ? -25.253 20.557 -23.583 1.00 34.79 ? 401 LEU A CB 1 ATOM 6001 C CG . LEU A 1 389 ? -24.910 21.892 -24.223 1.00 36.91 ? 401 LEU A CG 1 ATOM 6002 C CD1 . LEU A 1 389 ? -23.649 21.788 -25.073 1.00 38.77 ? 401 LEU A CD1 1 ATOM 6003 C CD2 . LEU A 1 389 ? -26.090 22.344 -25.068 1.00 38.19 ? 401 LEU A CD2 1 ATOM 6004 H H . LEU A 1 389 ? -24.738 21.608 -21.465 1.00 39.00 ? 401 LEU A H 1 ATOM 6005 H HA . LEU A 1 389 ? -26.967 21.254 -22.711 1.00 39.58 ? 401 LEU A HA 1 ATOM 6006 H HB2 . LEU A 1 389 ? -24.430 20.154 -23.265 1.00 41.74 ? 401 LEU A HB2 1 ATOM 6007 H HB3 . LEU A 1 389 ? -25.661 19.994 -24.260 1.00 41.74 ? 401 LEU A HB3 1 ATOM 6008 H HG . LEU A 1 389 ? -24.759 22.552 -23.529 1.00 44.29 ? 401 LEU A HG 1 ATOM 6009 H HD11 . LEU A 1 389 ? -23.460 22.655 -25.464 1.00 46.52 ? 401 LEU A HD11 1 ATOM 6010 H HD12 . LEU A 1 389 ? -22.910 21.511 -24.508 1.00 46.52 ? 401 LEU A HD12 1 ATOM 6011 H HD13 . LEU A 1 389 ? -23.794 21.132 -25.773 1.00 46.52 ? 401 LEU A HD13 1 ATOM 6012 H HD21 . LEU A 1 389 ? -25.875 23.196 -25.478 1.00 45.82 ? 401 LEU A HD21 1 ATOM 6013 H HD22 . LEU A 1 389 ? -26.260 21.679 -25.754 1.00 45.82 ? 401 LEU A HD22 1 ATOM 6014 H HD23 . LEU A 1 389 ? -26.869 22.438 -24.497 1.00 45.82 ? 401 LEU A HD23 1 ATOM 6015 N N . LYS A 1 390 ? -26.009 18.621 -21.167 1.00 32.04 ? 402 LYS A N 1 ATOM 6016 C CA . LYS A 1 390 ? -26.495 17.359 -20.602 1.00 30.56 ? 402 LYS A CA 1 ATOM 6017 C C . LYS A 1 390 ? -27.662 17.590 -19.649 1.00 28.78 ? 402 LYS A C 1 ATOM 6018 O O . LYS A 1 390 ? -28.670 16.875 -19.695 1.00 29.28 ? 402 LYS A O 1 ATOM 6019 C CB . LYS A 1 390 ? -25.342 16.664 -19.874 1.00 32.64 ? 402 LYS A CB 1 ATOM 6020 C CG . LYS A 1 390 ? -25.711 15.356 -19.212 1.00 34.87 ? 402 LYS A CG 1 ATOM 6021 C CD . LYS A 1 390 ? -24.509 14.692 -18.556 1.00 35.92 ? 402 LYS A CD 1 ATOM 6022 C CE . LYS A 1 390 ? -23.429 14.309 -19.574 1.00 37.98 ? 402 LYS A CE 1 ATOM 6023 N NZ . LYS A 1 390 ? -22.329 13.521 -18.925 1.00 39.44 ? 402 LYS A NZ 1 ATOM 6024 H H . LYS A 1 390 ? -25.202 18.819 -20.945 1.00 38.45 ? 402 LYS A H 1 ATOM 6025 H HA . LYS A 1 390 ? -26.796 16.781 -21.320 1.00 36.68 ? 402 LYS A HA 1 ATOM 6026 H HB2 . LYS A 1 390 ? -24.637 16.481 -20.514 1.00 39.16 ? 402 LYS A HB2 1 ATOM 6027 H HB3 . LYS A 1 390 ? -25.009 17.259 -19.183 1.00 39.16 ? 402 LYS A HB3 1 ATOM 6028 H HG2 . LYS A 1 390 ? -26.377 15.521 -18.527 1.00 41.84 ? 402 LYS A HG2 1 ATOM 6029 H HG3 . LYS A 1 390 ? -26.063 14.748 -19.882 1.00 41.84 ? 402 LYS A HG3 1 ATOM 6030 H HD2 . LYS A 1 390 ? -24.116 15.308 -17.917 1.00 43.10 ? 402 LYS A HD2 1 ATOM 6031 H HD3 . LYS A 1 390 ? -24.799 13.884 -18.105 1.00 43.10 ? 402 LYS A HD3 1 ATOM 6032 H HE2 . LYS A 1 390 ? -23.825 13.764 -20.272 1.00 45.58 ? 402 LYS A HE2 1 ATOM 6033 H HE3 . LYS A 1 390 ? -23.044 15.115 -19.953 1.00 45.58 ? 402 LYS A HE3 1 ATOM 6034 H HZ1 . LYS A 1 390 ? -21.712 13.307 -19.529 1.00 47.33 ? 402 LYS A HZ1 1 ATOM 6035 H HZ2 . LYS A 1 390 ? -21.949 14.003 -18.281 1.00 47.33 ? 402 LYS A HZ2 1 ATOM 6036 H HZ3 . LYS A 1 390 ? -22.659 12.774 -18.571 1.00 47.33 ? 402 LYS A HZ3 1 ATOM 6037 N N . TYR A 1 391 ? -27.533 18.574 -18.768 1.00 27.30 ? 403 TYR A N 1 ATOM 6038 C CA . TYR A 1 391 ? -28.613 18.913 -17.851 1.00 26.48 ? 403 TYR A CA 1 ATOM 6039 C C . TYR A 1 391 ? -29.902 19.230 -18.600 1.00 27.41 ? 403 TYR A C 1 ATOM 6040 O O . TYR A 1 391 ? -30.988 18.832 -18.178 1.00 25.97 ? 403 TYR A O 1 ATOM 6041 C CB . TYR A 1 391 ? -28.188 20.147 -17.066 1.00 26.53 ? 403 TYR A CB 1 ATOM 6042 C CG . TYR A 1 391 ? -29.198 20.617 -16.058 1.00 26.18 ? 403 TYR A CG 1 ATOM 6043 C CD1 . TYR A 1 391 ? -29.263 20.044 -14.804 1.00 24.99 ? 403 TYR A CD1 1 ATOM 6044 C CD2 . TYR A 1 391 ? -30.106 21.613 -16.379 1.00 26.20 ? 403 TYR A CD2 1 ATOM 6045 C CE1 . TYR A 1 391 ? -30.183 20.490 -13.870 1.00 24.47 ? 403 TYR A CE1 1 ATOM 6046 C CE2 . TYR A 1 391 ? -31.028 22.069 -15.442 1.00 26.88 ? 403 TYR A CE2 1 ATOM 6047 C CZ . TYR A 1 391 ? -31.071 21.491 -14.198 1.00 25.46 ? 403 TYR A CZ 1 ATOM 6048 O OH . TYR A 1 391 ? -31.978 21.952 -13.265 1.00 25.56 ? 403 TYR A OH 1 ATOM 6049 H H . TYR A 1 391 ? -26.829 19.061 -18.681 1.00 32.76 ? 403 TYR A H 1 ATOM 6050 H HA . TYR A 1 391 ? -28.773 18.181 -17.235 1.00 31.78 ? 403 TYR A HA 1 ATOM 6051 H HB2 . TYR A 1 391 ? -27.368 19.945 -16.589 1.00 31.84 ? 403 TYR A HB2 1 ATOM 6052 H HB3 . TYR A 1 391 ? -28.034 20.874 -17.689 1.00 31.84 ? 403 TYR A HB3 1 ATOM 6053 H HD1 . TYR A 1 391 ? -28.662 19.373 -14.573 1.00 29.98 ? 403 TYR A HD1 1 ATOM 6054 H HD2 . TYR A 1 391 ? -30.073 22.010 -17.219 1.00 31.44 ? 403 TYR A HD2 1 ATOM 6055 H HE1 . TYR A 1 391 ? -30.208 20.106 -13.023 1.00 29.37 ? 403 TYR A HE1 1 ATOM 6056 H HE2 . TYR A 1 391 ? -31.625 22.747 -15.664 1.00 32.26 ? 403 TYR A HE2 1 ATOM 6057 H HH . TYR A 1 391 ? -32.453 22.558 -13.600 1.00 30.67 ? 403 TYR A HH 1 ATOM 6058 N N . TYR A 1 392 ? -29.808 19.997 -19.680 1.00 27.31 ? 404 TYR A N 1 ATOM 6059 C CA . TYR A 1 392 ? -31.010 20.335 -20.441 1.00 27.51 ? 404 TYR A CA 1 ATOM 6060 C C . TYR A 1 392 ? -31.633 19.100 -21.096 1.00 27.54 ? 404 TYR A C 1 ATOM 6061 O O . TYR A 1 392 ? -32.861 18.983 -21.169 1.00 28.24 ? 404 TYR A O 1 ATOM 6062 C CB . TYR A 1 392 ? -30.701 21.456 -21.451 1.00 28.62 ? 404 TYR A CB 1 ATOM 6063 C CG . TYR A 1 392 ? -31.959 22.042 -22.026 1.00 28.18 ? 404 TYR A CG 1 ATOM 6064 C CD1 . TYR A 1 392 ? -32.792 22.828 -21.234 1.00 28.67 ? 404 TYR A CD1 1 ATOM 6065 C CD2 . TYR A 1 392 ? -32.342 21.781 -23.343 1.00 29.06 ? 404 TYR A CD2 1 ATOM 6066 C CE1 . TYR A 1 392 ? -33.966 23.335 -21.715 1.00 27.90 ? 404 TYR A CE1 1 ATOM 6067 C CE2 . TYR A 1 392 ? -33.516 22.284 -23.847 1.00 29.21 ? 404 TYR A CE2 1 ATOM 6068 C CZ . TYR A 1 392 ? -34.330 23.074 -23.024 1.00 29.47 ? 404 TYR A CZ 1 ATOM 6069 O OH . TYR A 1 392 ? -35.509 23.611 -23.512 1.00 29.89 ? 404 TYR A OH 1 ATOM 6070 H H . TYR A 1 392 ? -29.077 20.328 -19.990 1.00 32.77 ? 404 TYR A H 1 ATOM 6071 H HA . TYR A 1 392 ? -31.667 20.687 -19.820 1.00 33.01 ? 404 TYR A HA 1 ATOM 6072 H HB2 . TYR A 1 392 ? -30.213 22.164 -21.003 1.00 34.34 ? 404 TYR A HB2 1 ATOM 6073 H HB3 . TYR A 1 392 ? -30.174 21.093 -22.180 1.00 34.34 ? 404 TYR A HB3 1 ATOM 6074 H HD1 . TYR A 1 392 ? -32.552 22.996 -20.352 1.00 34.41 ? 404 TYR A HD1 1 ATOM 6075 H HD2 . TYR A 1 392 ? -31.802 21.248 -23.881 1.00 34.87 ? 404 TYR A HD2 1 ATOM 6076 H HE1 . TYR A 1 392 ? -34.505 23.866 -21.174 1.00 33.48 ? 404 TYR A HE1 1 ATOM 6077 H HE2 . TYR A 1 392 ? -33.761 22.113 -24.728 1.00 35.05 ? 404 TYR A HE2 1 ATOM 6078 H HH . TYR A 1 392 ? -35.619 23.383 -24.313 1.00 35.87 ? 404 TYR A HH 1 ATOM 6079 N N . HIS A 1 393 ? -30.809 18.153 -21.529 1.00 28.47 ? 405 HIS A N 1 ATOM 6080 C CA . HIS A 1 393 ? -31.308 16.889 -22.057 1.00 28.74 ? 405 HIS A CA 1 ATOM 6081 C C . HIS A 1 393 ? -32.031 16.107 -20.967 1.00 28.34 ? 405 HIS A C 1 ATOM 6082 O O . HIS A 1 393 ? -33.104 15.535 -21.187 1.00 28.77 ? 405 HIS A O 1 ATOM 6083 C CB . HIS A 1 393 ? -30.082 16.121 -22.573 1.00 30.58 ? 405 HIS A CB 1 ATOM 6084 C CG . HIS A 1 393 ? -30.383 14.845 -23.283 1.00 33.98 ? 405 HIS A CG 1 ATOM 6085 N ND1 . HIS A 1 393 ? -31.500 14.677 -24.068 1.00 35.50 ? 405 HIS A ND1 1 ATOM 6086 C CD2 . HIS A 1 393 ? -29.678 13.691 -23.376 1.00 35.85 ? 405 HIS A CD2 1 ATOM 6087 C CE1 . HIS A 1 393 ? -31.491 13.463 -24.594 1.00 36.23 ? 405 HIS A CE1 1 ATOM 6088 N NE2 . HIS A 1 393 ? -30.389 12.846 -24.200 1.00 37.67 ? 405 HIS A NE2 1 ATOM 6089 H H . HIS A 1 393 ? -29.952 18.217 -21.527 1.00 34.17 ? 405 HIS A H 1 ATOM 6090 H HA . HIS A 1 393 ? -31.918 17.050 -22.794 1.00 34.49 ? 405 HIS A HA 1 ATOM 6091 H HB2 . HIS A 1 393 ? -29.599 16.692 -23.190 1.00 36.69 ? 405 HIS A HB2 1 ATOM 6092 H HB3 . HIS A 1 393 ? -29.514 15.906 -21.817 1.00 36.69 ? 405 HIS A HB3 1 ATOM 6093 H HD2 . HIS A 1 393 ? -28.867 13.504 -22.961 1.00 43.02 ? 405 HIS A HD2 1 ATOM 6094 H HE1 . HIS A 1 393 ? -32.142 13.108 -25.155 1.00 43.47 ? 405 HIS A HE1 1 ATOM 6095 H HE2 . HIS A 1 393 ? -30.164 12.043 -24.408 1.00 45.21 ? 405 HIS A HE2 1 ATOM 6096 N N . TYR A 1 394 ? -31.461 16.091 -19.776 1.00 27.49 ? 406 TYR A N 1 ATOM 6097 C CA . TYR A 1 394 ? -32.071 15.384 -18.664 1.00 26.12 ? 406 TYR A CA 1 ATOM 6098 C C . TYR A 1 394 ? -33.283 16.117 -18.107 1.00 25.23 ? 406 TYR A C 1 ATOM 6099 O O . TYR A 1 394 ? -34.100 15.501 -17.422 1.00 24.60 ? 406 TYR A O 1 ATOM 6100 C CB . TYR A 1 394 ? -31.020 15.188 -17.570 1.00 27.15 ? 406 TYR A CB 1 ATOM 6101 C CG . TYR A 1 394 ? -29.927 14.213 -17.957 1.00 28.86 ? 406 TYR A CG 1 ATOM 6102 C CD1 . TYR A 1 394 ? -30.084 13.322 -19.025 1.00 30.02 ? 406 TYR A CD1 1 ATOM 6103 C CD2 . TYR A 1 394 ? -28.727 14.186 -17.269 1.00 29.75 ? 406 TYR A CD2 1 ATOM 6104 C CE1 . TYR A 1 394 ? -29.081 12.433 -19.369 1.00 30.59 ? 406 TYR A CE1 1 ATOM 6105 C CE2 . TYR A 1 394 ? -27.721 13.284 -17.616 1.00 30.04 ? 406 TYR A CE2 1 ATOM 6106 C CZ . TYR A 1 394 ? -27.917 12.410 -18.658 1.00 30.87 ? 406 TYR A CZ 1 ATOM 6107 O OH . TYR A 1 394 ? -26.930 11.512 -18.999 1.00 33.63 ? 406 TYR A OH 1 ATOM 6108 H H . TYR A 1 394 ? -30.719 16.481 -19.583 1.00 32.99 ? 406 TYR A H 1 ATOM 6109 H HA . TYR A 1 394 ? -32.360 14.509 -18.964 1.00 31.35 ? 406 TYR A HA 1 ATOM 6110 H HB2 . TYR A 1 394 ? -30.603 16.043 -17.378 1.00 32.58 ? 406 TYR A HB2 1 ATOM 6111 H HB3 . TYR A 1 394 ? -31.456 14.847 -16.773 1.00 32.58 ? 406 TYR A HB3 1 ATOM 6112 H HD1 . TYR A 1 394 ? -30.881 13.321 -19.505 1.00 36.03 ? 406 TYR A HD1 1 ATOM 6113 H HD2 . TYR A 1 394 ? -28.596 14.766 -16.554 1.00 35.70 ? 406 TYR A HD2 1 ATOM 6114 H HE1 . TYR A 1 394 ? -29.209 11.838 -20.072 1.00 36.71 ? 406 TYR A HE1 1 ATOM 6115 H HE2 . TYR A 1 394 ? -26.924 13.267 -17.137 1.00 36.05 ? 406 TYR A HE2 1 ATOM 6116 H HH . TYR A 1 394 ? -26.271 11.602 -18.485 1.00 40.35 ? 406 TYR A HH 1 ATOM 6117 N N . TYR A 1 395 ? -33.398 17.417 -18.348 1.00 26.87 ? 407 TYR A N 1 ATOM 6118 C CA . TYR A 1 395 ? -34.526 18.181 -17.818 1.00 25.53 ? 407 TYR A CA 1 ATOM 6119 C C . TYR A 1 395 ? -35.860 17.603 -18.281 1.00 25.40 ? 407 TYR A C 1 ATOM 6120 O O . TYR A 1 395 ? -36.813 17.521 -17.484 1.00 24.75 ? 407 TYR A O 1 ATOM 6121 C CB . TYR A 1 395 ? -34.336 19.649 -18.211 1.00 23.66 ? 407 TYR A CB 1 ATOM 6122 C CG . TYR A 1 395 ? -35.477 20.604 -17.962 1.00 23.76 ? 407 TYR A CG 1 ATOM 6123 C CD1 . TYR A 1 395 ? -35.781 21.040 -16.673 1.00 23.38 ? 407 TYR A CD1 1 ATOM 6124 C CD2 . TYR A 1 395 ? -36.222 21.114 -19.013 1.00 25.01 ? 407 TYR A CD2 1 ATOM 6125 C CE1 . TYR A 1 395 ? -36.825 21.953 -16.442 1.00 24.49 ? 407 TYR A CE1 1 ATOM 6126 C CE2 . TYR A 1 395 ? -37.258 22.016 -18.791 1.00 26.08 ? 407 TYR A CE2 1 ATOM 6127 C CZ . TYR A 1 395 ? -37.559 22.431 -17.519 1.00 25.32 ? 407 TYR A CZ 1 ATOM 6128 O OH . TYR A 1 395 ? -38.609 23.309 -17.290 1.00 25.93 ? 407 TYR A OH 1 ATOM 6129 H H . TYR A 1 395 ? -32.842 17.880 -18.812 1.00 32.24 ? 407 TYR A H 1 ATOM 6130 H HA . TYR A 1 395 ? -34.506 18.132 -16.849 1.00 30.64 ? 407 TYR A HA 1 ATOM 6131 H HB2 . TYR A 1 395 ? -33.571 19.991 -17.724 1.00 28.39 ? 407 TYR A HB2 1 ATOM 6132 H HB3 . TYR A 1 395 ? -34.146 19.680 -19.162 1.00 28.39 ? 407 TYR A HB3 1 ATOM 6133 H HD1 . TYR A 1 395 ? -35.287 20.719 -15.954 1.00 28.06 ? 407 TYR A HD1 1 ATOM 6134 H HD2 . TYR A 1 395 ? -36.030 20.844 -19.882 1.00 30.01 ? 407 TYR A HD2 1 ATOM 6135 H HE1 . TYR A 1 395 ? -37.030 22.224 -15.576 1.00 29.39 ? 407 TYR A HE1 1 ATOM 6136 H HE2 . TYR A 1 395 ? -37.755 22.334 -19.510 1.00 31.30 ? 407 TYR A HE2 1 ATOM 6137 H HH . TYR A 1 395 ? -38.969 23.522 -18.018 1.00 31.12 ? 407 TYR A HH 1 ATOM 6138 N N . PHE A 1 396 ? -35.934 17.167 -19.551 1.00 24.98 ? 408 PHE A N 1 ATOM 6139 C CA . PHE A 1 396 ? -37.083 16.464 -20.129 1.00 25.59 ? 408 PHE A CA 1 ATOM 6140 C C . PHE A 1 396 ? -36.976 14.938 -20.023 1.00 26.14 ? 408 PHE A C 1 ATOM 6141 O O . PHE A 1 396 ? -37.716 14.215 -20.711 1.00 25.55 ? 408 PHE A O 1 ATOM 6142 C CB . PHE A 1 396 ? -37.260 16.846 -21.600 1.00 26.36 ? 408 PHE A CB 1 ATOM 6143 C CG . PHE A 1 396 ? -37.534 18.308 -21.836 1.00 26.76 ? 408 PHE A CG 1 ATOM 6144 C CD1 . PHE A 1 396 ? -38.723 18.884 -21.439 1.00 27.05 ? 408 PHE A CD1 1 ATOM 6145 C CD2 . PHE A 1 396 ? -36.606 19.096 -22.467 1.00 27.67 ? 408 PHE A CD2 1 ATOM 6146 C CE1 . PHE A 1 396 ? -38.978 20.213 -21.663 1.00 27.93 ? 408 PHE A CE1 1 ATOM 6147 C CE2 . PHE A 1 396 ? -36.870 20.452 -22.706 1.00 29.05 ? 408 PHE A CE2 1 ATOM 6148 C CZ . PHE A 1 396 ? -38.059 20.997 -22.296 1.00 29.12 ? 408 PHE A CZ 1 ATOM 6149 H H . PHE A 1 396 ? -35.297 17.275 -20.118 1.00 29.98 ? 408 PHE A H 1 ATOM 6150 H HA . PHE A 1 396 ? -37.884 16.737 -19.655 1.00 30.70 ? 408 PHE A HA 1 ATOM 6151 H HB2 . PHE A 1 396 ? -36.449 16.617 -22.080 1.00 31.64 ? 408 PHE A HB2 1 ATOM 6152 H HB3 . PHE A 1 396 ? -38.007 16.344 -21.963 1.00 31.64 ? 408 PHE A HB3 1 ATOM 6153 H HD1 . PHE A 1 396 ? -39.363 18.363 -21.011 1.00 32.46 ? 408 PHE A HD1 1 ATOM 6154 H HD2 . PHE A 1 396 ? -35.801 18.726 -22.750 1.00 33.20 ? 408 PHE A HD2 1 ATOM 6155 H HE1 . PHE A 1 396 ? -39.786 20.581 -21.386 1.00 33.52 ? 408 PHE A HE1 1 ATOM 6156 H HE2 . PHE A 1 396 ? -36.236 20.983 -23.132 1.00 34.86 ? 408 PHE A HE2 1 ATOM 6157 H HZ . PHE A 1 396 ? -38.235 21.899 -22.443 1.00 34.95 ? 408 PHE A HZ 1 ATOM 6158 N N . VAL A 1 397 ? -36.077 14.432 -19.181 1.00 25.82 ? 409 VAL A N 1 ATOM 6159 C CA . VAL A 1 397 ? -35.903 12.992 -19.006 1.00 24.10 ? 409 VAL A CA 1 ATOM 6160 C C . VAL A 1 397 ? -35.609 12.351 -20.367 1.00 25.51 ? 409 VAL A C 1 ATOM 6161 O O . VAL A 1 397 ? -36.172 11.314 -20.729 1.00 26.05 ? 409 VAL A O 1 ATOM 6162 C CB . VAL A 1 397 ? -37.090 12.332 -18.266 1.00 23.93 ? 409 VAL A CB 1 ATOM 6163 C CG1 . VAL A 1 397 ? -36.665 10.971 -17.737 1.00 23.72 ? 409 VAL A CG1 1 ATOM 6164 C CG2 . VAL A 1 397 ? -37.611 13.208 -17.121 1.00 25.39 ? 409 VAL A CG2 1 ATOM 6165 H H . VAL A 1 397 ? -35.551 14.907 -18.695 1.00 30.98 ? 409 VAL A H 1 ATOM 6166 H HA . VAL A 1 397 ? -35.117 12.853 -18.455 1.00 28.91 ? 409 VAL A HA 1 ATOM 6167 H HB . VAL A 1 397 ? -37.817 12.196 -18.894 1.00 28.72 ? 409 VAL A HB 1 ATOM 6168 H HG11 . VAL A 1 397 ? -37.414 10.564 -17.275 1.00 28.46 ? 409 VAL A HG11 1 ATOM 6169 H HG12 . VAL A 1 397 ? -36.393 10.413 -18.483 1.00 28.46 ? 409 VAL A HG12 1 ATOM 6170 H HG13 . VAL A 1 397 ? -35.922 11.089 -17.125 1.00 28.46 ? 409 VAL A HG13 1 ATOM 6171 H HG21 . VAL A 1 397 ? -38.351 12.754 -16.689 1.00 30.47 ? 409 VAL A HG21 1 ATOM 6172 H HG22 . VAL A 1 397 ? -36.894 13.353 -16.484 1.00 30.47 ? 409 VAL A HG22 1 ATOM 6173 H HG23 . VAL A 1 397 ? -37.908 14.057 -17.484 1.00 30.47 ? 409 VAL A HG23 1 ATOM 6174 N N . SER A 1 398 ? -34.722 12.983 -21.132 1.00 26.26 ? 410 SER A N 1 ATOM 6175 C CA . SER A 1 398 ? -34.205 12.431 -22.375 1.00 27.13 ? 410 SER A CA 1 ATOM 6176 C C . SER A 1 398 ? -35.297 12.257 -23.443 1.00 27.12 ? 410 SER A C 1 ATOM 6177 O O . SER A 1 398 ? -35.153 11.470 -24.382 1.00 28.10 ? 410 SER A O 1 ATOM 6178 C CB . SER A 1 398 ? -33.418 11.131 -22.142 1.00 27.86 ? 410 SER A CB 1 ATOM 6179 O OG . SER A 1 398 ? -32.242 11.386 -21.363 1.00 28.22 ? 410 SER A OG 1 ATOM 6180 H H . SER A 1 398 ? -34.398 13.757 -20.944 1.00 31.51 ? 410 SER A H 1 ATOM 6181 H HA . SER A 1 398 ? -33.572 13.072 -22.735 1.00 32.56 ? 410 SER A HA 1 ATOM 6182 H HB2 . SER A 1 398 ? -33.982 10.501 -21.667 1.00 33.43 ? 410 SER A HB2 1 ATOM 6183 H HB3 . SER A 1 398 ? -33.156 10.762 -23.000 1.00 33.43 ? 410 SER A HB3 1 ATOM 6184 H HG . SER A 1 398 ? -32.455 11.708 -20.617 1.00 33.86 ? 410 SER A HG 1 ATOM 6185 N N . TYR A 1 399 ? -36.366 13.047 -23.349 1.00 27.56 ? 411 TYR A N 1 ATOM 6186 C CA . TYR A 1 399 ? -37.457 12.950 -24.316 1.00 28.92 ? 411 TYR A CA 1 ATOM 6187 C C . TYR A 1 399 ? -37.009 13.331 -25.722 1.00 31.31 ? 411 TYR A C 1 ATOM 6188 O O . TYR A 1 399 ? -37.500 12.772 -26.721 1.00 31.99 ? 411 TYR A O 1 ATOM 6189 C CB . TYR A 1 399 ? -38.612 13.855 -23.875 1.00 28.48 ? 411 TYR A CB 1 ATOM 6190 C CG . TYR A 1 399 ? -39.772 13.875 -24.870 1.00 28.99 ? 411 TYR A CG 1 ATOM 6191 C CD1 . TYR A 1 399 ? -40.596 12.765 -25.040 1.00 29.23 ? 411 TYR A CD1 1 ATOM 6192 C CD2 . TYR A 1 399 ? -40.039 15.003 -25.630 1.00 28.81 ? 411 TYR A CD2 1 ATOM 6193 C CE1 . TYR A 1 399 ? -41.640 12.773 -25.954 1.00 31.46 ? 411 TYR A CE1 1 ATOM 6194 C CE2 . TYR A 1 399 ? -41.093 15.012 -26.555 1.00 30.33 ? 411 TYR A CE2 1 ATOM 6195 C CZ . TYR A 1 399 ? -41.880 13.883 -26.696 1.00 31.92 ? 411 TYR A CZ 1 ATOM 6196 O OH . TYR A 1 399 ? -42.920 13.861 -27.567 1.00 33.45 ? 411 TYR A OH 1 ATOM 6197 H H . TYR A 1 399 ? -36.482 13.642 -22.740 1.00 33.07 ? 411 TYR A H 1 ATOM 6198 H HA . TYR A 1 399 ? -37.781 12.036 -24.340 1.00 34.71 ? 411 TYR A HA 1 ATOM 6199 H HB2 . TYR A 1 399 ? -38.953 13.537 -23.025 1.00 34.18 ? 411 TYR A HB2 1 ATOM 6200 H HB3 . TYR A 1 399 ? -38.283 14.762 -23.781 1.00 34.18 ? 411 TYR A HB3 1 ATOM 6201 H HD1 . TYR A 1 399 ? -40.433 11.996 -24.542 1.00 35.07 ? 411 TYR A HD1 1 ATOM 6202 H HD2 . TYR A 1 399 ? -39.501 15.756 -25.538 1.00 34.57 ? 411 TYR A HD2 1 ATOM 6203 H HE1 . TYR A 1 399 ? -42.178 12.021 -26.053 1.00 37.75 ? 411 TYR A HE1 1 ATOM 6204 H HE2 . TYR A 1 399 ? -41.266 15.772 -27.062 1.00 36.39 ? 411 TYR A HE2 1 ATOM 6205 H HH . TYR A 1 399 ? -42.974 14.597 -27.969 1.00 40.14 ? 411 TYR A HH 1 ATOM 6206 N N . ASP A 1 400 ? -36.081 14.281 -25.840 1.00 33.79 ? 412 ASP A N 1 ATOM 6207 C CA . ASP A 1 400 ? -35.772 14.810 -27.165 1.00 36.60 ? 412 ASP A CA 1 ATOM 6208 C C . ASP A 1 400 ? -34.355 15.376 -27.156 1.00 38.23 ? 412 ASP A C 1 ATOM 6209 O O . ASP A 1 400 ? -34.145 16.503 -26.713 1.00 37.66 ? 412 ASP A O 1 ATOM 6210 C CB . ASP A 1 400 ? -36.798 15.865 -27.516 1.00 38.87 ? 412 ASP A CB 1 ATOM 6211 C CG . ASP A 1 400 ? -36.563 16.488 -28.866 1.00 40.79 ? 412 ASP A CG 1 ATOM 6212 O OD1 . ASP A 1 400 ? -35.725 15.979 -29.660 1.00 41.19 ? 412 ASP A OD1 1 ATOM 6213 O OD2 . ASP A 1 400 ? -37.238 17.509 -29.120 1.00 41.92 ? 412 ASP A OD2 1 ATOM 6214 H H . ASP A 1 400 ? -35.632 14.625 -25.192 1.00 40.54 ? 412 ASP A H 1 ATOM 6215 H HA . ASP A 1 400 ? -35.819 14.098 -27.821 1.00 43.93 ? 412 ASP A HA 1 ATOM 6216 H HB2 . ASP A 1 400 ? -37.678 15.458 -27.523 1.00 46.64 ? 412 ASP A HB2 1 ATOM 6217 H HB3 . ASP A 1 400 ? -36.765 16.570 -26.851 1.00 46.64 ? 412 ASP A HB3 1 ATOM 6218 N N . SER A 1 401 ? -33.408 14.601 -27.686 1.00 41.13 ? 413 SER A N 1 ATOM 6219 C CA . SER A 1 401 ? -32.019 15.050 -27.759 1.00 43.77 ? 413 SER A CA 1 ATOM 6220 C C . SER A 1 401 ? -31.834 16.276 -28.649 1.00 44.46 ? 413 SER A C 1 ATOM 6221 O O . SER A 1 401 ? -30.845 17.002 -28.485 1.00 46.56 ? 413 SER A O 1 ATOM 6222 C CB . SER A 1 401 ? -31.168 13.914 -28.297 1.00 45.78 ? 413 SER A CB 1 ATOM 6223 O OG . SER A 1 401 ? -31.625 13.572 -29.598 1.00 47.70 ? 413 SER A OG 1 ATOM 6224 H H . SER A 1 401 ? -33.544 13.816 -28.008 1.00 49.36 ? 413 SER A H 1 ATOM 6225 H HA . SER A 1 401 ? -31.706 15.270 -26.867 1.00 52.53 ? 413 SER A HA 1 ATOM 6226 H HB2 . SER A 1 401 ? -30.242 14.201 -28.347 1.00 54.94 ? 413 SER A HB2 1 ATOM 6227 H HB3 . SER A 1 401 ? -31.252 13.144 -27.713 1.00 54.94 ? 413 SER A HB3 1 ATOM 6228 H HG . SER A 1 401 ? -31.163 12.943 -29.909 1.00 57.24 ? 413 SER A HG 1 ATOM 6229 N N . SER A 1 402 ? -32.748 16.539 -29.573 1.00 42.94 ? 414 SER A N 1 ATOM 6230 C CA . SER A 1 402 ? -32.615 17.695 -30.447 1.00 43.66 ? 414 SER A CA 1 ATOM 6231 C C . SER A 1 402 ? -33.219 18.963 -29.842 1.00 42.66 ? 414 SER A C 1 ATOM 6232 O O . SER A 1 402 ? -33.159 20.024 -30.469 1.00 43.12 ? 414 SER A O 1 ATOM 6233 C CB . SER A 1 402 ? -33.219 17.392 -31.828 1.00 45.59 ? 414 SER A CB 1 ATOM 6234 O OG . SER A 1 402 ? -34.629 17.488 -31.779 1.00 47.37 ? 414 SER A OG 1 ATOM 6235 H H . SER A 1 402 ? -33.452 16.066 -29.714 1.00 51.53 ? 414 SER A H 1 ATOM 6236 H HA . SER A 1 402 ? -31.670 17.865 -30.580 1.00 52.39 ? 414 SER A HA 1 ATOM 6237 H HB2 . SER A 1 402 ? -32.879 18.034 -32.471 1.00 54.71 ? 414 SER A HB2 1 ATOM 6238 H HB3 . SER A 1 402 ? -32.971 16.493 -32.093 1.00 54.71 ? 414 SER A HB3 1 ATOM 6239 H HG . SER A 1 402 ? -34.935 16.938 -31.223 1.00 56.84 ? 414 SER A HG 1 ATOM 6240 N N . ALA A 1 403 ? -33.763 18.897 -28.626 1.00 41.10 ? 415 ALA A N 1 ATOM 6241 C CA . ALA A 1 403 ? -34.262 20.106 -27.995 1.00 41.33 ? 415 ALA A CA 1 ATOM 6242 C C . ALA A 1 403 ? -33.093 21.028 -27.673 1.00 41.44 ? 415 ALA A C 1 ATOM 6243 O O . ALA A 1 403 ? -32.045 20.585 -27.196 1.00 42.97 ? 415 ALA A O 1 ATOM 6244 C CB . ALA A 1 403 ? -35.021 19.754 -26.727 1.00 42.53 ? 415 ALA A CB 1 ATOM 6245 H H . ALA A 1 403 ? -33.852 18.180 -28.160 1.00 49.32 ? 415 ALA A H 1 ATOM 6246 H HA . ALA A 1 403 ? -34.864 20.566 -28.600 1.00 49.59 ? 415 ALA A HA 1 ATOM 6247 H HB1 . ALA A 1 403 ? -35.348 20.570 -26.318 1.00 51.03 ? 415 ALA A HB1 1 ATOM 6248 H HB2 . ALA A 1 403 ? -35.767 19.177 -26.956 1.00 51.03 ? 415 ALA A HB2 1 ATOM 6249 H HB3 . ALA A 1 403 ? -34.422 19.294 -26.118 1.00 51.03 ? 415 ALA A HB3 1 ATOM 6250 N N . THR A 1 404 ? -33.271 22.316 -27.937 1.00 40.92 ? 416 THR A N 1 ATOM 6251 C CA . THR A 1 404 ? -32.223 23.304 -27.729 1.00 40.91 ? 416 THR A CA 1 ATOM 6252 C C . THR A 1 404 ? -32.690 24.365 -26.749 1.00 38.99 ? 416 THR A C 1 ATOM 6253 O O . THR A 1 404 ? -33.885 24.605 -26.578 1.00 38.57 ? 416 THR A O 1 ATOM 6254 C CB . THR A 1 404 ? -31.841 24.002 -29.036 1.00 42.91 ? 416 THR A CB 1 ATOM 6255 O OG1 . THR A 1 404 ? -33.024 24.512 -29.667 1.00 45.07 ? 416 THR A OG1 1 ATOM 6256 C CG2 . THR A 1 404 ? -31.161 23.046 -29.957 1.00 43.29 ? 416 THR A CG2 1 ATOM 6257 H H . THR A 1 404 ? -34.003 22.648 -28.242 1.00 49.11 ? 416 THR A H 1 ATOM 6258 H HA . THR A 1 404 ? -31.434 22.872 -27.366 1.00 49.10 ? 416 THR A HA 1 ATOM 6259 H HB . THR A 1 404 ? -31.233 24.734 -28.847 1.00 51.49 ? 416 THR A HB 1 ATOM 6260 H HG1 . THR A 1 404 ? -32.823 24.897 -30.386 1.00 54.08 ? 416 THR A HG1 1 ATOM 6261 H HG21 . THR A 1 404 ? -30.922 23.495 -30.783 1.00 51.95 ? 416 THR A HG21 1 ATOM 6262 H HG22 . THR A 1 404 ? -30.356 22.701 -29.542 1.00 51.95 ? 416 THR A HG22 1 ATOM 6263 H HG23 . THR A 1 404 ? -31.753 22.305 -30.161 1.00 51.95 ? 416 THR A HG23 1 ATOM 6264 N N . CYS A 1 405 ? -31.715 25.011 -26.120 1.00 38.55 ? 417 CYS A N 1 ATOM 6265 C CA . CYS A 1 405 ? -31.959 26.040 -25.121 1.00 37.43 ? 417 CYS A CA 1 ATOM 6266 C C . CYS A 1 405 ? -31.049 27.202 -25.510 1.00 38.25 ? 417 CYS A C 1 ATOM 6267 O O . CYS A 1 405 ? -29.839 27.164 -25.253 1.00 39.69 ? 417 CYS A O 1 ATOM 6268 C CB . CYS A 1 405 ? -31.626 25.488 -23.732 1.00 36.96 ? 417 CYS A CB 1 ATOM 6269 S SG . CYS A 1 405 ? -32.035 26.518 -22.301 1.00 38.08 ? 417 CYS A SG 1 ATOM 6270 H H . CYS A 1 405 ? -30.879 24.866 -26.261 1.00 46.26 ? 417 CYS A H 1 ATOM 6271 H HA . CYS A 1 405 ? -32.885 26.328 -25.146 1.00 44.91 ? 417 CYS A HA 1 ATOM 6272 H HB2 . CYS A 1 405 ? -32.100 24.649 -23.622 1.00 44.35 ? 417 CYS A HB2 1 ATOM 6273 H HB3 . CYS A 1 405 ? -30.671 25.321 -23.697 1.00 44.35 ? 417 CYS A HB3 1 ATOM 6274 N N . ASP A 1 406 ? -31.623 28.232 -26.122 1.00 37.81 ? 418 ASP A N 1 ATOM 6275 C CA . ASP A 1 406 ? -30.838 29.359 -26.618 1.00 39.35 ? 418 ASP A CA 1 ATOM 6276 C C . ASP A 1 406 ? -30.370 30.230 -25.445 1.00 38.53 ? 418 ASP A C 1 ATOM 6277 O O . ASP A 1 406 ? -30.550 29.897 -24.275 1.00 38.45 ? 418 ASP A O 1 ATOM 6278 C CB . ASP A 1 406 ? -31.614 30.113 -27.692 1.00 41.09 ? 418 ASP A CB 1 ATOM 6279 C CG . ASP A 1 406 ? -32.827 30.864 -27.156 1.00 41.78 ? 418 ASP A CG 1 ATOM 6280 O OD1 . ASP A 1 406 ? -33.003 31.007 -25.930 1.00 41.53 ? 418 ASP A OD1 1 ATOM 6281 O OD2 . ASP A 1 406 ? -33.591 31.355 -28.024 1.00 42.82 ? 418 ASP A OD2 1 ATOM 6282 H H . ASP A 1 406 ? -32.468 28.303 -26.263 1.00 45.37 ? 418 ASP A H 1 ATOM 6283 H HA . ASP A 1 406 ? -30.041 29.005 -27.042 1.00 47.23 ? 418 ASP A HA 1 ATOM 6284 H HB2 . ASP A 1 406 ? -31.024 30.760 -28.108 1.00 49.30 ? 418 ASP A HB2 1 ATOM 6285 H HB3 . ASP A 1 406 ? -31.927 29.478 -28.356 1.00 49.30 ? 418 ASP A HB3 1 ATOM 6286 N N . GLN A 1 407 ? -29.732 31.364 -25.753 1.00 39.82 ? 419 GLN A N 1 ATOM 6287 C CA . GLN A 1 407 ? -29.067 32.140 -24.706 1.00 40.57 ? 419 GLN A CA 1 ATOM 6288 C C . GLN A 1 407 ? -30.052 32.631 -23.651 1.00 39.69 ? 419 GLN A C 1 ATOM 6289 O O . GLN A 1 407 ? -29.769 32.583 -22.440 1.00 39.66 ? 419 GLN A O 1 ATOM 6290 C CB . GLN A 1 407 ? -28.364 33.327 -25.348 1.00 44.29 ? 419 GLN A CB 1 ATOM 6291 C CG . GLN A 1 407 ? -27.554 34.149 -24.378 1.00 48.80 ? 419 GLN A CG 1 ATOM 6292 C CD . GLN A 1 407 ? -26.923 35.357 -25.050 1.00 53.36 ? 419 GLN A CD 1 ATOM 6293 O OE1 . GLN A 1 407 ? -26.201 35.223 -26.042 1.00 55.15 ? 419 GLN A OE1 1 ATOM 6294 N NE2 . GLN A 1 407 ? -27.192 36.548 -24.507 1.00 54.73 ? 419 GLN A NE2 1 ATOM 6295 H H . GLN A 1 407 ? -29.671 31.698 -26.543 1.00 47.78 ? 419 GLN A H 1 ATOM 6296 H HA . GLN A 1 407 ? -28.400 31.587 -24.269 1.00 48.68 ? 419 GLN A HA 1 ATOM 6297 H HB2 . GLN A 1 407 ? -27.763 33.000 -26.035 1.00 53.15 ? 419 GLN A HB2 1 ATOM 6298 H HB3 . GLN A 1 407 ? -29.032 33.908 -25.744 1.00 53.15 ? 419 GLN A HB3 1 ATOM 6299 H HG2 . GLN A 1 407 ? -28.133 34.465 -23.667 1.00 58.56 ? 419 GLN A HG2 1 ATOM 6300 H HG3 . GLN A 1 407 ? -26.843 33.600 -24.012 1.00 58.56 ? 419 GLN A HG3 1 ATOM 6301 H HE21 . GLN A 1 407 ? -27.699 36.600 -23.814 1.00 65.68 ? 419 GLN A HE21 1 ATOM 6302 H HE22 . GLN A 1 407 ? -26.858 37.262 -24.850 1.00 65.68 ? 419 GLN A HE22 1 ATOM 6303 N N . HIS A 1 408 ? -31.200 33.136 -24.097 1.00 38.80 ? 420 HIS A N 1 ATOM 6304 C CA . HIS A 1 408 ? -32.240 33.571 -23.176 1.00 38.85 ? 420 HIS A CA 1 ATOM 6305 C C . HIS A 1 408 ? -32.754 32.401 -22.331 1.00 35.40 ? 420 HIS A C 1 ATOM 6306 O O . HIS A 1 408 ? -32.924 32.519 -21.107 1.00 34.59 ? 420 HIS A O 1 ATOM 6307 C CB . HIS A 1 408 ? -33.366 34.191 -24.002 1.00 41.79 ? 420 HIS A CB 1 ATOM 6308 C CG . HIS A 1 408 ? -34.495 34.732 -23.188 1.00 44.84 ? 420 HIS A CG 1 ATOM 6309 N ND1 . HIS A 1 408 ? -34.613 36.067 -22.876 1.00 47.56 ? 420 HIS A ND1 1 ATOM 6310 C CD2 . HIS A 1 408 ? -35.566 34.121 -22.630 1.00 45.76 ? 420 HIS A CD2 1 ATOM 6311 C CE1 . HIS A 1 408 ? -35.698 36.253 -22.144 1.00 46.81 ? 420 HIS A CE1 1 ATOM 6312 N NE2 . HIS A 1 408 ? -36.297 35.089 -21.986 1.00 46.73 ? 420 HIS A NE2 1 ATOM 6313 H H . HIS A 1 408 ? -31.399 33.236 -24.928 1.00 46.56 ? 420 HIS A H 1 ATOM 6314 H HA . HIS A 1 408 ? -31.884 34.249 -22.580 1.00 46.62 ? 420 HIS A HA 1 ATOM 6315 H HB2 . HIS A 1 408 ? -33.002 34.923 -24.525 1.00 50.15 ? 420 HIS A HB2 1 ATOM 6316 H HB3 . HIS A 1 408 ? -33.727 33.513 -24.594 1.00 50.15 ? 420 HIS A HB3 1 ATOM 6317 H HD1 . HIS A 1 408 ? -34.058 36.682 -23.107 1.00 57.07 ? 420 HIS A HD1 1 ATOM 6318 H HD2 . HIS A 1 408 ? -35.765 33.214 -22.668 1.00 54.91 ? 420 HIS A HD2 1 ATOM 6319 H HE1 . HIS A 1 408 ? -35.996 37.069 -21.810 1.00 56.17 ? 420 HIS A HE1 1 ATOM 6320 N N . CYS A 1 409 ? -33.025 31.265 -22.980 1.00 34.00 ? 421 CYS A N 1 ATOM 6321 C CA . CYS A 1 409 ? -33.488 30.073 -22.269 1.00 33.41 ? 421 CYS A CA 1 ATOM 6322 C C . CYS A 1 409 ? -32.477 29.635 -21.215 1.00 32.12 ? 421 CYS A C 1 ATOM 6323 O O . CYS A 1 409 ? -32.847 29.276 -20.082 1.00 31.57 ? 421 CYS A O 1 ATOM 6324 C CB . CYS A 1 409 ? -33.716 28.941 -23.285 1.00 35.67 ? 421 CYS A CB 1 ATOM 6325 S SG . CYS A 1 409 ? -33.966 27.262 -22.624 1.00 38.60 ? 421 CYS A SG 1 ATOM 6326 H H . CYS A 1 409 ? -32.949 31.161 -23.830 1.00 40.80 ? 421 CYS A H 1 ATOM 6327 H HA . CYS A 1 409 ? -34.330 30.265 -21.827 1.00 40.09 ? 421 CYS A HA 1 ATOM 6328 H HB2 . CYS A 1 409 ? -34.503 29.161 -23.808 1.00 42.80 ? 421 CYS A HB2 1 ATOM 6329 H HB3 . CYS A 1 409 ? -32.944 28.904 -23.872 1.00 42.80 ? 421 CYS A HB3 1 ATOM 6330 N N . LYS A 1 410 ? -31.192 29.650 -21.570 1.00 30.57 ? 422 LYS A N 1 ATOM 6331 C CA . LYS A 1 410 ? -30.185 29.184 -20.627 1.00 30.79 ? 422 LYS A CA 1 ATOM 6332 C C . LYS A 1 410 ? -30.076 30.125 -19.432 1.00 30.62 ? 422 LYS A C 1 ATOM 6333 O O . LYS A 1 410 ? -29.985 29.673 -18.285 1.00 29.92 ? 422 LYS A O 1 ATOM 6334 C CB . LYS A 1 410 ? -28.843 28.982 -21.333 1.00 30.67 ? 422 LYS A CB 1 ATOM 6335 C CG . LYS A 1 410 ? -27.791 28.398 -20.374 1.00 31.79 ? 422 LYS A CG 1 ATOM 6336 C CD . LYS A 1 410 ? -26.495 28.087 -21.090 1.00 32.72 ? 422 LYS A CD 1 ATOM 6337 C CE . LYS A 1 410 ? -25.352 27.783 -20.098 1.00 35.59 ? 422 LYS A CE 1 ATOM 6338 N NZ . LYS A 1 410 ? -24.075 27.538 -20.832 1.00 36.96 ? 422 LYS A NZ 1 ATOM 6339 H H . LYS A 1 410 ? -30.887 29.917 -22.329 1.00 36.68 ? 422 LYS A H 1 ATOM 6340 H HA . LYS A 1 410 ? -30.464 28.320 -20.287 1.00 36.94 ? 422 LYS A HA 1 ATOM 6341 H HB2 . LYS A 1 410 ? -28.960 28.363 -22.071 1.00 36.80 ? 422 LYS A HB2 1 ATOM 6342 H HB3 . LYS A 1 410 ? -28.519 29.836 -21.657 1.00 36.80 ? 422 LYS A HB3 1 ATOM 6343 H HG2 . LYS A 1 410 ? -27.604 29.043 -19.674 1.00 38.15 ? 422 LYS A HG2 1 ATOM 6344 H HG3 . LYS A 1 410 ? -28.130 27.574 -19.990 1.00 38.15 ? 422 LYS A HG3 1 ATOM 6345 H HD2 . LYS A 1 410 ? -26.621 27.309 -21.655 1.00 39.26 ? 422 LYS A HD2 1 ATOM 6346 H HD3 . LYS A 1 410 ? -26.235 28.852 -21.626 1.00 39.26 ? 422 LYS A HD3 1 ATOM 6347 H HE2 . LYS A 1 410 ? -25.226 28.543 -19.508 1.00 42.71 ? 422 LYS A HE2 1 ATOM 6348 H HE3 . LYS A 1 410 ? -25.570 26.989 -19.587 1.00 42.71 ? 422 LYS A HE3 1 ATOM 6349 H HZ1 . LYS A 1 410 ? -23.421 27.363 -20.254 1.00 44.35 ? 422 LYS A HZ1 1 ATOM 6350 H HZ2 . LYS A 1 410 ? -24.169 26.843 -21.381 1.00 44.35 ? 422 LYS A HZ2 1 ATOM 6351 H HZ3 . LYS A 1 410 ? -23.855 28.256 -21.309 1.00 44.35 ? 422 LYS A HZ3 1 ATOM 6352 N N . THR A 1 411 ? -30.108 31.435 -19.675 1.00 31.33 ? 423 THR A N 1 ATOM 6353 C CA . THR A 1 411 ? -30.041 32.387 -18.577 1.00 32.33 ? 423 THR A CA 1 ATOM 6354 C C . THR A 1 411 ? -31.193 32.186 -17.604 1.00 32.10 ? 423 THR A C 1 ATOM 6355 O O . THR A 1 411 ? -30.994 32.226 -16.386 1.00 33.11 ? 423 THR A O 1 ATOM 6356 C CB . THR A 1 411 ? -30.032 33.801 -19.129 1.00 31.84 ? 423 THR A CB 1 ATOM 6357 O OG1 . THR A 1 411 ? -28.811 34.002 -19.842 1.00 33.84 ? 423 THR A OG1 1 ATOM 6358 C CG2 . THR A 1 411 ? -30.157 34.846 -17.969 1.00 31.74 ? 423 THR A CG2 1 ATOM 6359 H H . THR A 1 411 ? -30.168 31.791 -20.456 1.00 37.59 ? 423 THR A H 1 ATOM 6360 H HA . THR A 1 411 ? -29.213 32.250 -18.092 1.00 38.80 ? 423 THR A HA 1 ATOM 6361 H HB . THR A 1 411 ? -30.783 33.918 -19.732 1.00 38.21 ? 423 THR A HB 1 ATOM 6362 H HG1 . THR A 1 411 ? -28.753 33.451 -20.473 1.00 40.60 ? 423 THR A HG1 1 ATOM 6363 H HG21 . THR A 1 411 ? -30.150 35.746 -18.331 1.00 38.09 ? 423 THR A HG21 1 ATOM 6364 H HG22 . THR A 1 411 ? -30.986 34.707 -17.485 1.00 38.09 ? 423 THR A HG22 1 ATOM 6365 H HG23 . THR A 1 411 ? -29.413 34.748 -17.353 1.00 38.09 ? 423 THR A HG23 1 ATOM 6366 N N . LEU A 1 412 ? -32.405 31.973 -18.113 1.00 31.45 ? 424 LEU A N 1 ATOM 6367 C CA . LEU A 1 412 ? -33.530 31.712 -17.222 1.00 30.42 ? 424 LEU A CA 1 ATOM 6368 C C . LEU A 1 412 ? -33.316 30.446 -16.414 1.00 29.58 ? 424 LEU A C 1 ATOM 6369 O O . LEU A 1 412 ? -33.672 30.398 -15.232 1.00 29.22 ? 424 LEU A O 1 ATOM 6370 C CB . LEU A 1 412 ? -34.830 31.604 -17.999 1.00 31.68 ? 424 LEU A CB 1 ATOM 6371 C CG . LEU A 1 412 ? -35.360 32.898 -18.617 1.00 33.69 ? 424 LEU A CG 1 ATOM 6372 C CD1 . LEU A 1 412 ? -36.686 32.629 -19.342 1.00 34.23 ? 424 LEU A CD1 1 ATOM 6373 C CD2 . LEU A 1 412 ? -35.534 33.989 -17.603 1.00 34.85 ? 424 LEU A CD2 1 ATOM 6374 H H . LEU A 1 412 ? -32.598 31.974 -18.951 1.00 37.74 ? 424 LEU A H 1 ATOM 6375 H HA . LEU A 1 412 ? -33.615 32.451 -16.600 1.00 36.51 ? 424 LEU A HA 1 ATOM 6376 H HB2 . LEU A 1 412 ? -34.700 30.971 -18.722 1.00 38.01 ? 424 LEU A HB2 1 ATOM 6377 H HB3 . LEU A 1 412 ? -35.515 31.269 -17.399 1.00 38.01 ? 424 LEU A HB3 1 ATOM 6378 H HG . LEU A 1 412 ? -34.722 33.210 -19.277 1.00 40.42 ? 424 LEU A HG 1 ATOM 6379 H HD11 . LEU A 1 412 ? -37.009 33.458 -19.728 1.00 41.08 ? 424 LEU A HD11 1 ATOM 6380 H HD12 . LEU A 1 412 ? -36.535 31.974 -20.042 1.00 41.08 ? 424 LEU A HD12 1 ATOM 6381 H HD13 . LEU A 1 412 ? -37.331 32.287 -18.703 1.00 41.08 ? 424 LEU A HD13 1 ATOM 6382 H HD21 . LEU A 1 412 ? -35.871 34.782 -18.048 1.00 41.82 ? 424 LEU A HD21 1 ATOM 6383 H HD22 . LEU A 1 412 ? -36.166 33.694 -16.928 1.00 41.82 ? 424 LEU A HD22 1 ATOM 6384 H HD23 . LEU A 1 412 ? -34.676 34.178 -17.192 1.00 41.82 ? 424 LEU A HD23 1 ATOM 6385 N N . GLN A 1 413 ? -32.802 29.390 -17.056 1.00 28.84 ? 425 GLN A N 1 ATOM 6386 C CA . GLN A 1 413 ? -32.521 28.151 -16.334 1.00 27.00 ? 425 GLN A CA 1 ATOM 6387 C C . GLN A 1 413 ? -31.484 28.365 -15.242 1.00 26.71 ? 425 GLN A C 1 ATOM 6388 O O . GLN A 1 413 ? -31.715 28.009 -14.094 1.00 26.40 ? 425 GLN A O 1 ATOM 6389 C CB . GLN A 1 413 ? -32.065 27.061 -17.300 1.00 27.16 ? 425 GLN A CB 1 ATOM 6390 C CG . GLN A 1 413 ? -33.210 26.353 -18.005 1.00 28.32 ? 425 GLN A CG 1 ATOM 6391 C CD . GLN A 1 413 ? -33.758 25.179 -17.239 1.00 28.76 ? 425 GLN A CD 1 ATOM 6392 O OE1 . GLN A 1 413 ? -33.200 24.761 -16.219 1.00 28.79 ? 425 GLN A OE1 1 ATOM 6393 N NE2 . GLN A 1 413 ? -34.853 24.609 -17.749 1.00 28.89 ? 425 GLN A NE2 1 ATOM 6394 H H . GLN A 1 413 ? -32.612 29.368 -17.894 1.00 34.61 ? 425 GLN A H 1 ATOM 6395 H HA . GLN A 1 413 ? -33.338 27.847 -15.909 1.00 32.40 ? 425 GLN A HA 1 ATOM 6396 H HB2 . GLN A 1 413 ? -31.500 27.461 -17.979 1.00 32.59 ? 425 GLN A HB2 1 ATOM 6397 H HB3 . GLN A 1 413 ? -31.564 26.394 -16.805 1.00 32.59 ? 425 GLN A HB3 1 ATOM 6398 H HG2 . GLN A 1 413 ? -33.934 26.985 -18.138 1.00 33.99 ? 425 GLN A HG2 1 ATOM 6399 H HG3 . GLN A 1 413 ? -32.896 26.027 -18.863 1.00 33.99 ? 425 GLN A HG3 1 ATOM 6400 H HE21 . GLN A 1 413 ? -35.201 24.917 -18.472 1.00 34.66 ? 425 GLN A HE21 1 ATOM 6401 H HE22 . GLN A 1 413 ? -35.211 23.934 -17.353 1.00 34.66 ? 425 GLN A HE22 1 ATOM 6402 N N . VAL A 1 414 ? -30.310 28.901 -15.593 1.00 28.17 ? 426 VAL A N 1 ATOM 6403 C CA . VAL A 1 414 ? -29.223 28.977 -14.628 1.00 27.51 ? 426 VAL A CA 1 ATOM 6404 C C . VAL A 1 414 ? -29.593 29.919 -13.496 1.00 27.30 ? 426 VAL A C 1 ATOM 6405 O O . VAL A 1 414 ? -29.264 29.671 -12.334 1.00 28.85 ? 426 VAL A O 1 ATOM 6406 C CB . VAL A 1 414 ? -27.916 29.396 -15.317 1.00 30.92 ? 426 VAL A CB 1 ATOM 6407 C CG1 . VAL A 1 414 ? -26.797 29.626 -14.274 1.00 31.78 ? 426 VAL A CG1 1 ATOM 6408 C CG2 . VAL A 1 414 ? -27.541 28.347 -16.381 1.00 33.44 ? 426 VAL A CG2 1 ATOM 6409 H H . VAL A 1 414 ? -30.125 29.220 -16.370 1.00 33.80 ? 426 VAL A H 1 ATOM 6410 H HA . VAL A 1 414 ? -29.085 28.096 -14.246 1.00 33.01 ? 426 VAL A HA 1 ATOM 6411 H HB . VAL A 1 414 ? -28.065 30.238 -15.777 1.00 37.10 ? 426 VAL A HB 1 ATOM 6412 H HG11 . VAL A 1 414 ? -25.985 29.890 -14.735 1.00 38.13 ? 426 VAL A HG11 1 ATOM 6413 H HG12 . VAL A 1 414 ? -27.074 30.328 -13.664 1.00 38.13 ? 426 VAL A HG12 1 ATOM 6414 H HG13 . VAL A 1 414 ? -26.647 28.802 -13.785 1.00 38.13 ? 426 VAL A HG13 1 ATOM 6415 H HG21 . VAL A 1 414 ? -26.715 28.616 -16.813 1.00 40.13 ? 426 VAL A HG21 1 ATOM 6416 H HG22 . VAL A 1 414 ? -27.423 27.487 -15.948 1.00 40.13 ? 426 VAL A HG22 1 ATOM 6417 H HG23 . VAL A 1 414 ? -28.255 28.292 -17.036 1.00 40.13 ? 426 VAL A HG23 1 ATOM 6418 N N . CYS A 1 415 ? -30.239 31.040 -13.825 1.00 27.80 ? 427 CYS A N 1 ATOM 6419 C CA A CYS A 1 415 ? -30.686 31.955 -12.779 0.79 28.06 ? 427 CYS A CA 1 ATOM 6420 C CA B CYS A 1 415 ? -30.697 31.958 -12.795 0.21 27.96 ? 427 CYS A CA 1 ATOM 6421 C C . CYS A 1 415 ? -31.650 31.268 -11.824 1.00 27.74 ? 427 CYS A C 1 ATOM 6422 O O . CYS A 1 415 ? -31.592 31.500 -10.612 1.00 27.57 ? 427 CYS A O 1 ATOM 6423 C CB A CYS A 1 415 ? -31.290 33.230 -13.353 0.79 29.72 ? 427 CYS A CB 1 ATOM 6424 C CB B CYS A 1 415 ? -31.379 33.125 -13.503 0.21 28.85 ? 427 CYS A CB 1 ATOM 6425 S SG A CYS A 1 415 ? -30.054 34.425 -14.037 0.79 32.55 ? 427 CYS A SG 1 ATOM 6426 S SG B CYS A 1 415 ? -32.028 34.399 -12.478 0.21 29.70 ? 427 CYS A SG 1 ATOM 6427 H H . CYS A 1 415 ? -30.425 31.289 -14.627 1.00 33.35 ? 427 CYS A H 1 ATOM 6428 H HA . CYS A 1 415 ? -29.922 32.258 -12.278 1.00 33.56 ? 427 CYS A HA 1 ATOM 6429 H HB2 A CYS A 1 415 ? -31.895 32.989 -14.072 0.79 35.66 ? 427 CYS A HB2 1 ATOM 6430 H HB2 B CYS A 1 415 ? -30.734 33.537 -14.099 0.21 34.61 ? 427 CYS A HB2 1 ATOM 6431 H HB3 A CYS A 1 415 ? -31.781 33.684 -12.651 0.79 35.66 ? 427 CYS A HB3 1 ATOM 6432 H HB3 B CYS A 1 415 ? -32.117 32.773 -14.025 0.21 34.61 ? 427 CYS A HB3 1 ATOM 6433 H HG B CYS A 1 415 ? -32.852 33.928 -11.744 0.21 35.64 ? 427 CYS A HG 1 ATOM 6434 N N . ALA A 1 416 ? -32.531 30.405 -12.336 1.00 27.87 ? 428 ALA A N 1 ATOM 6435 C CA . ALA A 1 416 ? -33.485 29.757 -11.442 1.00 26.69 ? 428 ALA A CA 1 ATOM 6436 C C . ALA A 1 416 ? -32.819 28.675 -10.612 1.00 26.78 ? 428 ALA A C 1 ATOM 6437 O O . ALA A 1 416 ? -33.238 28.420 -9.475 1.00 25.73 ? 428 ALA A O 1 ATOM 6438 C CB . ALA A 1 416 ? -34.657 29.175 -12.220 1.00 27.40 ? 428 ALA A CB 1 ATOM 6439 H H . ALA A 1 416 ? -32.594 30.185 -13.165 1.00 33.44 ? 428 ALA A H 1 ATOM 6440 H HA . ALA A 1 416 ? -33.838 30.422 -10.831 1.00 32.03 ? 428 ALA A HA 1 ATOM 6441 H HB1 . ALA A 1 416 ? -35.270 28.754 -11.598 1.00 32.88 ? 428 ALA A HB1 1 ATOM 6442 H HB2 . ALA A 1 416 ? -35.107 29.892 -12.695 1.00 32.88 ? 428 ALA A HB2 1 ATOM 6443 H HB3 . ALA A 1 416 ? -34.322 28.519 -12.851 1.00 32.88 ? 428 ALA A HB3 1 ATOM 6444 N N . ILE A 1 417 ? -31.819 28.002 -11.178 1.00 26.10 ? 429 ILE A N 1 ATOM 6445 C CA . ILE A 1 417 ? -31.090 26.990 -10.424 1.00 26.38 ? 429 ILE A CA 1 ATOM 6446 C C . ILE A 1 417 ? -30.445 27.615 -9.187 1.00 26.71 ? 429 ILE A C 1 ATOM 6447 O O . ILE A 1 417 ? -30.460 27.026 -8.097 1.00 27.00 ? 429 ILE A O 1 ATOM 6448 C CB . ILE A 1 417 ? -30.064 26.294 -11.332 1.00 26.40 ? 429 ILE A CB 1 ATOM 6449 C CG1 . ILE A 1 417 ? -30.810 25.467 -12.405 1.00 27.85 ? 429 ILE A CG1 1 ATOM 6450 C CG2 . ILE A 1 417 ? -29.115 25.435 -10.503 1.00 26.30 ? 429 ILE A CG2 1 ATOM 6451 C CD1 . ILE A 1 417 ? -29.955 25.059 -13.614 1.00 28.95 ? 429 ILE A CD1 1 ATOM 6452 H H . ILE A 1 417 ? -31.547 28.112 -11.987 1.00 31.32 ? 429 ILE A H 1 ATOM 6453 H HA . ILE A 1 417 ? -31.718 26.317 -10.120 1.00 31.66 ? 429 ILE A HA 1 ATOM 6454 H HB . ILE A 1 417 ? -29.542 26.976 -11.782 1.00 31.68 ? 429 ILE A HB 1 ATOM 6455 H HG12 . ILE A 1 417 ? -31.143 24.655 -11.994 1.00 33.42 ? 429 ILE A HG12 1 ATOM 6456 H HG13 . ILE A 1 417 ? -31.555 25.993 -12.738 1.00 33.42 ? 429 ILE A HG13 1 ATOM 6457 H HG21 . ILE A 1 417 ? -28.479 25.006 -11.096 1.00 31.55 ? 429 ILE A HG21 1 ATOM 6458 H HG22 . ILE A 1 417 ? -28.649 26.003 -9.870 1.00 31.55 ? 429 ILE A HG22 1 ATOM 6459 H HG23 . ILE A 1 417 ? -29.631 24.764 -10.029 1.00 31.55 ? 429 ILE A HG23 1 ATOM 6460 H HD11 . ILE A 1 417 ? -30.503 24.548 -14.230 1.00 34.73 ? 429 ILE A HD11 1 ATOM 6461 H HD12 . ILE A 1 417 ? -29.623 25.859 -14.051 1.00 34.73 ? 429 ILE A HD12 1 ATOM 6462 H HD13 . ILE A 1 417 ? -29.211 24.518 -13.305 1.00 34.73 ? 429 ILE A HD13 1 ATOM 6463 N N . MET A 1 418 ? -29.827 28.799 -9.343 1.00 26.92 ? 430 MET A N 1 ATOM 6464 C CA . MET A 1 418 ? -28.959 29.363 -8.310 1.00 28.49 ? 430 MET A CA 1 ATOM 6465 C C . MET A 1 418 ? -29.610 30.373 -7.387 1.00 28.92 ? 430 MET A C 1 ATOM 6466 O O . MET A 1 418 ? -29.049 30.649 -6.310 1.00 29.39 ? 430 MET A O 1 ATOM 6467 C CB . MET A 1 418 ? -27.753 30.042 -8.964 1.00 31.51 ? 430 MET A CB 1 ATOM 6468 C CG . MET A 1 418 ? -26.898 29.040 -9.649 1.00 35.54 ? 430 MET A CG 1 ATOM 6469 S SD . MET A 1 418 ? -26.286 27.827 -8.465 1.00 42.48 ? 430 MET A SD 1 ATOM 6470 C CE . MET A 1 418 ? -24.593 28.384 -8.325 1.00 45.58 ? 430 MET A CE 1 ATOM 6471 H H . MET A 1 418 ? -29.900 29.293 -10.043 1.00 32.30 ? 430 MET A H 1 ATOM 6472 H HA . MET A 1 418 ? -28.620 28.632 -7.769 1.00 34.19 ? 430 MET A HA 1 ATOM 6473 H HB2 . MET A 1 418 ? -28.062 30.684 -9.622 1.00 37.82 ? 430 MET A HB2 1 ATOM 6474 H HB3 . MET A 1 418 ? -27.223 30.484 -8.282 1.00 37.82 ? 430 MET A HB3 1 ATOM 6475 H HG2 . MET A 1 418 ? -27.419 28.576 -10.323 1.00 42.65 ? 430 MET A HG2 1 ATOM 6476 H HG3 . MET A 1 418 ? -26.138 29.486 -10.054 1.00 42.65 ? 430 MET A HG3 1 ATOM 6477 H HE1 . MET A 1 418 ? -24.122 27.809 -7.701 1.00 54.70 ? 430 MET A HE1 1 ATOM 6478 H HE2 . MET A 1 418 ? -24.173 28.340 -9.198 1.00 54.70 ? 430 MET A HE2 1 ATOM 6479 H HE3 . MET A 1 418 ? -24.588 29.298 -8.001 1.00 54.70 ? 430 MET A HE3 1 ATOM 6480 N N . ASN A 1 419 ? -30.742 30.956 -7.771 1.00 28.21 ? 431 ASN A N 1 ATOM 6481 C CA . ASN A 1 419 ? -31.280 32.113 -7.055 1.00 29.46 ? 431 ASN A CA 1 ATOM 6482 C C . ASN A 1 419 ? -32.754 31.875 -6.763 1.00 27.71 ? 431 ASN A C 1 ATOM 6483 O O . ASN A 1 419 ? -33.611 32.053 -7.633 1.00 27.98 ? 431 ASN A O 1 ATOM 6484 C CB . ASN A 1 419 ? -31.057 33.367 -7.878 1.00 29.26 ? 431 ASN A CB 1 ATOM 6485 C CG . ASN A 1 419 ? -29.599 33.588 -8.196 1.00 31.23 ? 431 ASN A CG 1 ATOM 6486 O OD1 . ASN A 1 419 ? -28.802 33.975 -7.329 1.00 33.07 ? 431 ASN A OD1 1 ATOM 6487 N ND2 . ASN A 1 419 ? -29.233 33.341 -9.451 1.00 30.69 ? 431 ASN A ND2 1 ATOM 6488 H H . ASN A 1 419 ? -31.218 30.702 -8.440 1.00 33.85 ? 431 ASN A H 1 ATOM 6489 H HA . ASN A 1 419 ? -30.814 32.214 -6.211 1.00 35.35 ? 431 ASN A HA 1 ATOM 6490 H HB2 . ASN A 1 419 ? -31.541 33.288 -8.715 1.00 35.11 ? 431 ASN A HB2 1 ATOM 6491 H HB3 . ASN A 1 419 ? -31.377 34.135 -7.379 1.00 35.11 ? 431 ASN A HB3 1 ATOM 6492 H HD21 . ASN A 1 419 ? -28.414 33.450 -9.688 1.00 36.83 ? 431 ASN A HD21 1 ATOM 6493 H HD22 . ASN A 1 419 ? -29.815 33.073 -10.024 1.00 36.83 ? 431 ASN A HD22 1 ATOM 6494 N N . LEU A 1 420 ? -33.034 31.463 -5.530 1.00 26.97 ? 432 LEU A N 1 ATOM 6495 C CA . LEU A 1 420 ? -34.376 31.008 -5.186 1.00 27.03 ? 432 LEU A CA 1 ATOM 6496 C C . LEU A 1 420 ? -35.268 32.124 -4.673 1.00 26.54 ? 432 LEU A C 1 ATOM 6497 O O . LEU A 1 420 ? -36.493 31.992 -4.766 1.00 25.70 ? 432 LEU A O 1 ATOM 6498 C CB . LEU A 1 420 ? -34.322 29.862 -4.178 1.00 27.12 ? 432 LEU A CB 1 ATOM 6499 C CG . LEU A 1 420 ? -34.030 28.487 -4.786 1.00 27.60 ? 432 LEU A CG 1 ATOM 6500 C CD1 . LEU A 1 420 ? -32.733 28.495 -5.547 1.00 29.38 ? 432 LEU A CD1 1 ATOM 6501 C CD2 . LEU A 1 420 ? -34.033 27.426 -3.689 1.00 26.93 ? 432 LEU A CD2 1 ATOM 6502 H H . LEU A 1 420 ? -32.470 31.437 -4.881 1.00 32.37 ? 432 LEU A H 1 ATOM 6503 H HA . LEU A 1 420 ? -34.791 30.660 -5.991 1.00 32.43 ? 432 LEU A HA 1 ATOM 6504 H HB2 . LEU A 1 420 ? -33.625 30.051 -3.531 1.00 32.54 ? 432 LEU A HB2 1 ATOM 6505 H HB3 . LEU A 1 420 ? -35.179 29.806 -3.727 1.00 32.54 ? 432 LEU A HB3 1 ATOM 6506 H HG . LEU A 1 420 ? -34.737 28.266 -5.411 1.00 33.11 ? 432 LEU A HG 1 ATOM 6507 H HD11 . LEU A 1 420 ? -32.579 27.612 -5.917 1.00 35.25 ? 432 LEU A HD11 1 ATOM 6508 H HD12 . LEU A 1 420 ? -32.791 29.148 -6.262 1.00 35.25 ? 432 LEU A HD12 1 ATOM 6509 H HD13 . LEU A 1 420 ? -32.013 28.731 -4.942 1.00 35.25 ? 432 LEU A HD13 1 ATOM 6510 H HD21 . LEU A 1 420 ? -33.847 26.561 -4.086 1.00 32.32 ? 432 LEU A HD21 1 ATOM 6511 H HD22 . LEU A 1 420 ? -33.350 27.645 -3.036 1.00 32.32 ? 432 LEU A HD22 1 ATOM 6512 H HD23 . LEU A 1 420 ? -34.905 27.415 -3.264 1.00 32.32 ? 432 LEU A HD23 1 ATOM 6513 N N . ASP A 1 421 ? -34.686 33.199 -4.130 1.00 27.15 ? 433 ASP A N 1 ATOM 6514 C CA . ASP A 1 421 ? -35.400 34.373 -3.649 1.00 28.86 ? 433 ASP A CA 1 ATOM 6515 C C . ASP A 1 421 ? -35.427 35.463 -4.716 1.00 28.31 ? 433 ASP A C 1 ATOM 6516 O O . ASP A 1 421 ? -34.583 35.525 -5.616 1.00 27.93 ? 433 ASP A O 1 ATOM 6517 C CB . ASP A 1 421 ? -34.725 34.923 -2.382 1.00 31.68 ? 433 ASP A CB 1 ATOM 6518 C CG . ASP A 1 421 ? -33.324 35.420 -2.651 1.00 34.66 ? 433 ASP A CG 1 ATOM 6519 O OD1 . ASP A 1 421 ? -32.400 34.579 -2.811 1.00 35.09 ? 433 ASP A OD1 1 ATOM 6520 O OD2 . ASP A 1 421 ? -33.138 36.655 -2.700 1.00 36.66 ? 433 ASP A OD2 1 ATOM 6521 H H . ASP A 1 421 ? -33.835 33.267 -4.030 1.00 32.58 ? 433 ASP A H 1 ATOM 6522 H HA . ASP A 1 421 ? -36.314 34.131 -3.432 1.00 34.63 ? 433 ASP A HA 1 ATOM 6523 H HB2 . ASP A 1 421 ? -35.248 35.665 -2.041 1.00 38.02 ? 433 ASP A HB2 1 ATOM 6524 H HB3 . ASP A 1 421 ? -34.673 34.218 -1.718 1.00 38.02 ? 433 ASP A HB3 1 ATOM 6525 N N . SER A 1 422 ? -36.421 36.342 -4.574 1.00 29.05 ? 434 SER A N 1 ATOM 6526 C CA . SER A 1 422 ? -36.717 37.355 -5.571 1.00 30.46 ? 434 SER A CA 1 ATOM 6527 C C . SER A 1 422 ? -35.549 38.311 -5.784 1.00 30.63 ? 434 SER A C 1 ATOM 6528 O O . SER A 1 422 ? -35.227 38.666 -6.924 1.00 30.17 ? 434 SER A O 1 ATOM 6529 C CB . SER A 1 422 ? -37.933 38.147 -5.113 1.00 32.13 ? 434 SER A CB 1 ATOM 6530 O OG . SER A 1 422 ? -38.249 39.102 -6.064 1.00 34.63 ? 434 SER A OG 1 ATOM 6531 H H . SER A 1 422 ? -36.945 36.367 -3.892 1.00 34.86 ? 434 SER A H 1 ATOM 6532 H HA . SER A 1 422 ? -36.925 36.928 -6.417 1.00 36.56 ? 434 SER A HA 1 ATOM 6533 H HB2 . SER A 1 422 ? -38.684 37.544 -5.002 1.00 38.55 ? 434 SER A HB2 1 ATOM 6534 H HB3 . SER A 1 422 ? -37.729 38.587 -4.272 1.00 38.55 ? 434 SER A HB3 1 ATOM 6535 H HG . SER A 1 422 ? -38.920 39.543 -5.816 1.00 41.55 ? 434 SER A HG 1 ATOM 6536 N N . MET A 1 423 ? -34.910 38.756 -4.709 1.00 30.69 ? 435 MET A N 1 ATOM 6537 C CA . MET A 1 423 ? -33.830 39.723 -4.888 1.00 32.93 ? 435 MET A CA 1 ATOM 6538 C C . MET A 1 423 ? -32.673 39.124 -5.681 1.00 32.02 ? 435 MET A C 1 ATOM 6539 O O . MET A 1 423 ? -32.181 39.741 -6.635 1.00 31.06 ? 435 MET A O 1 ATOM 6540 C CB . MET A 1 423 ? -33.366 40.265 -3.535 1.00 38.20 ? 435 MET A CB 1 ATOM 6541 C CG . MET A 1 423 ? -32.387 41.411 -3.671 1.00 45.06 ? 435 MET A CG 1 ATOM 6542 S SD . MET A 1 423 ? -31.730 41.872 -2.078 1.00 51.05 ? 435 MET A SD 1 ATOM 6543 C CE . MET A 1 423 ? -33.200 41.769 -1.011 1.00 51.88 ? 435 MET A CE 1 ATOM 6544 H H . MET A 1 423 ? -35.072 38.527 -3.896 1.00 36.83 ? 435 MET A H 1 ATOM 6545 H HA . MET A 1 423 ? -34.181 40.476 -5.390 1.00 39.51 ? 435 MET A HA 1 ATOM 6546 H HB2 . MET A 1 423 ? -34.137 40.585 -3.041 1.00 45.84 ? 435 MET A HB2 1 ATOM 6547 H HB3 . MET A 1 423 ? -32.929 39.553 -3.042 1.00 45.84 ? 435 MET A HB3 1 ATOM 6548 H HG2 . MET A 1 423 ? -31.650 41.140 -4.240 1.00 54.08 ? 435 MET A HG2 1 ATOM 6549 H HG3 . MET A 1 423 ? -32.841 42.180 -4.049 1.00 54.08 ? 435 MET A HG3 1 ATOM 6550 H HE1 . MET A 1 423 ? -32.949 42.004 -0.105 1.00 62.25 ? 435 MET A HE1 1 ATOM 6551 H HE2 . MET A 1 423 ? -33.872 42.386 -1.340 1.00 62.25 ? 435 MET A HE2 1 ATOM 6552 H HE3 . MET A 1 423 ? -33.544 40.862 -1.035 1.00 62.25 ? 435 MET A HE3 1 ATOM 6553 N N . SER A 1 424 ? -32.209 37.934 -5.289 1.00 32.56 ? 436 SER A N 1 ATOM 6554 C CA . SER A 1 424 ? -31.097 37.299 -5.987 1.00 31.93 ? 436 SER A CA 1 ATOM 6555 C C . SER A 1 424 ? -31.468 36.966 -7.419 1.00 30.54 ? 436 SER A C 1 ATOM 6556 O O . SER A 1 424 ? -30.648 37.121 -8.331 1.00 30.69 ? 436 SER A O 1 ATOM 6557 C CB . SER A 1 424 ? -30.693 36.015 -5.266 1.00 34.31 ? 436 SER A CB 1 ATOM 6558 O OG . SER A 1 424 ? -30.108 36.375 -4.035 1.00 38.34 ? 436 SER A OG 1 ATOM 6559 H H . SER A 1 424 ? -32.519 37.481 -4.627 1.00 39.07 ? 436 SER A H 1 ATOM 6560 H HA . SER A 1 424 ? -30.335 37.899 -5.998 1.00 38.32 ? 436 SER A HA 1 ATOM 6561 H HB2 . SER A 1 424 ? -31.480 35.472 -5.105 1.00 41.17 ? 436 SER A HB2 1 ATOM 6562 H HB3 . SER A 1 424 ? -30.047 35.530 -5.803 1.00 41.17 ? 436 SER A HB3 1 ATOM 6563 H HG . SER A 1 424 ? -29.876 35.685 -3.615 1.00 46.00 ? 436 SER A HG 1 ATOM 6564 N N . TYR A 1 425 ? -32.698 36.490 -7.623 1.00 29.90 ? 437 TYR A N 1 ATOM 6565 C CA . TYR A 1 425 ? -33.148 36.100 -8.950 1.00 28.90 ? 437 TYR A CA 1 ATOM 6566 C C . TYR A 1 425 ? -33.165 37.314 -9.872 1.00 29.81 ? 437 TYR A C 1 ATOM 6567 O O . TYR A 1 425 ? -32.632 37.279 -10.990 1.00 31.10 ? 437 TYR A O 1 ATOM 6568 C CB . TYR A 1 425 ? -34.538 35.454 -8.833 1.00 29.28 ? 437 TYR A CB 1 ATOM 6569 C CG . TYR A 1 425 ? -35.117 35.069 -10.171 1.00 29.80 ? 437 TYR A CG 1 ATOM 6570 C CD1 . TYR A 1 425 ? -35.862 35.963 -10.888 1.00 28.75 ? 437 TYR A CD1 1 ATOM 6571 C CD2 . TYR A 1 425 ? -34.899 33.824 -10.708 1.00 28.66 ? 437 TYR A CD2 1 ATOM 6572 C CE1 . TYR A 1 425 ? -36.364 35.641 -12.138 1.00 29.71 ? 437 TYR A CE1 1 ATOM 6573 C CE2 . TYR A 1 425 ? -35.398 33.477 -11.948 1.00 27.81 ? 437 TYR A CE2 1 ATOM 6574 C CZ . TYR A 1 425 ? -36.135 34.396 -12.660 1.00 28.23 ? 437 TYR A CZ 1 ATOM 6575 O OH . TYR A 1 425 ? -36.642 34.062 -13.901 1.00 27.65 ? 437 TYR A OH 1 ATOM 6576 H H . TYR A 1 425 ? -33.287 36.384 -7.006 1.00 35.88 ? 437 TYR A H 1 ATOM 6577 H HA . TYR A 1 425 ? -32.535 35.445 -9.319 1.00 34.67 ? 437 TYR A HA 1 ATOM 6578 H HB2 . TYR A 1 425 ? -34.468 34.651 -8.294 1.00 35.14 ? 437 TYR A HB2 1 ATOM 6579 H HB3 . TYR A 1 425 ? -35.145 36.084 -8.414 1.00 35.14 ? 437 TYR A HB3 1 ATOM 6580 H HD1 . TYR A 1 425 ? -36.008 36.815 -10.544 1.00 34.50 ? 437 TYR A HD1 1 ATOM 6581 H HD2 . TYR A 1 425 ? -34.390 33.207 -10.234 1.00 34.39 ? 437 TYR A HD2 1 ATOM 6582 H HE1 . TYR A 1 425 ? -36.867 36.262 -12.613 1.00 35.65 ? 437 TYR A HE1 1 ATOM 6583 H HE2 . TYR A 1 425 ? -35.237 32.631 -12.298 1.00 33.38 ? 437 TYR A HE2 1 ATOM 6584 H HH . TYR A 1 425 ? -36.427 33.273 -14.097 1.00 33.18 ? 437 TYR A HH 1 ATOM 6585 N N . ASP A 1 426 ? -33.790 38.397 -9.411 1.00 31.47 ? 438 ASP A N 1 ATOM 6586 C CA . ASP A 1 426 ? -33.824 39.631 -10.178 1.00 32.91 ? 438 ASP A CA 1 ATOM 6587 C C . ASP A 1 426 ? -32.413 40.136 -10.478 1.00 33.67 ? 438 ASP A C 1 ATOM 6588 O O . ASP A 1 426 ? -32.125 40.538 -11.609 1.00 34.48 ? 438 ASP A O 1 ATOM 6589 C CB . ASP A 1 426 ? -34.633 40.690 -9.427 1.00 35.41 ? 438 ASP A CB 1 ATOM 6590 C CG . ASP A 1 426 ? -36.135 40.410 -9.411 1.00 38.77 ? 438 ASP A CG 1 ATOM 6591 O OD1 . ASP A 1 426 ? -36.608 39.426 -10.004 1.00 39.05 ? 438 ASP A OD1 1 ATOM 6592 O OD2 . ASP A 1 426 ? -36.849 41.222 -8.787 1.00 41.41 ? 438 ASP A OD2 1 ATOM 6593 H H . ASP A 1 426 ? -34.200 38.440 -8.656 1.00 37.76 ? 438 ASP A H 1 ATOM 6594 H HA . ASP A 1 426 ? -34.267 39.462 -11.025 1.00 39.49 ? 438 ASP A HA 1 ATOM 6595 H HB2 . ASP A 1 426 ? -34.327 40.725 -8.507 1.00 42.50 ? 438 ASP A HB2 1 ATOM 6596 H HB3 . ASP A 1 426 ? -34.496 41.550 -9.853 1.00 42.50 ? 438 ASP A HB3 1 ATOM 6597 N N . ASP A 1 427 ? -31.515 40.122 -9.487 1.00 34.88 ? 439 ASP A N 1 ATOM 6598 C CA A ASP A 1 427 ? -30.138 40.550 -9.729 0.44 35.06 ? 439 ASP A CA 1 ATOM 6599 C CA B ASP A 1 427 ? -30.140 40.551 -9.734 0.56 35.05 ? 439 ASP A CA 1 ATOM 6600 C C . ASP A 1 427 ? -29.518 39.729 -10.852 1.00 34.39 ? 439 ASP A C 1 ATOM 6601 O O . ASP A 1 427 ? -28.896 40.268 -11.770 1.00 35.82 ? 439 ASP A O 1 ATOM 6602 C CB A ASP A 1 427 ? -29.285 40.391 -8.456 0.44 36.78 ? 439 ASP A CB 1 ATOM 6603 C CB B ASP A 1 427 ? -29.308 40.422 -8.451 0.56 37.12 ? 439 ASP A CB 1 ATOM 6604 C CG A ASP A 1 427 ? -29.672 41.356 -7.318 0.44 38.69 ? 439 ASP A CG 1 ATOM 6605 C CG B ASP A 1 427 ? -27.962 41.130 -8.542 0.56 39.63 ? 439 ASP A CG 1 ATOM 6606 O OD1 A ASP A 1 427 ? -30.272 42.421 -7.561 0.44 39.00 ? 439 ASP A OD1 1 ATOM 6607 O OD1 B ASP A 1 427 ? -27.833 42.055 -9.363 0.56 40.62 ? 439 ASP A OD1 1 ATOM 6608 O OD2 A ASP A 1 427 ? -29.340 41.043 -6.151 0.44 40.08 ? 439 ASP A OD2 1 ATOM 6609 O OD2 B ASP A 1 427 ? -27.034 40.780 -7.768 0.56 40.88 ? 439 ASP A OD2 1 ATOM 6610 H H . ASP A 1 427 ? -31.673 39.875 -8.678 1.00 41.86 ? 439 ASP A H 1 ATOM 6611 H HA . ASP A 1 427 ? -30.134 41.483 -9.997 1.00 42.06 ? 439 ASP A HA 1 ATOM 6612 H HB2 A ASP A 1 427 ? -29.386 39.485 -8.124 0.44 44.13 ? 439 ASP A HB2 1 ATOM 6613 H HB2 B ASP A 1 427 ? -29.802 40.813 -7.713 0.56 44.54 ? 439 ASP A HB2 1 ATOM 6614 H HB3 A ASP A 1 427 ? -28.356 40.556 -8.681 0.44 44.13 ? 439 ASP A HB3 1 ATOM 6615 H HB3 B ASP A 1 427 ? -29.141 39.482 -8.276 0.56 44.54 ? 439 ASP A HB3 1 ATOM 6616 N N . CYS A 1 428 ? -29.678 38.417 -10.789 1.00 33.31 ? 440 CYS A N 1 ATOM 6617 C CA . CYS A 1 428 ? -29.110 37.543 -11.809 1.00 33.00 ? 440 CYS A CA 1 ATOM 6618 C C . CYS A 1 428 ? -29.635 37.883 -13.205 1.00 34.01 ? 440 CYS A C 1 ATOM 6619 O O . CYS A 1 428 ? -28.864 37.924 -14.176 1.00 34.90 ? 440 CYS A O 1 ATOM 6620 C CB . CYS A 1 428 ? -29.444 36.102 -11.446 1.00 33.42 ? 440 CYS A CB 1 ATOM 6621 S SG . CYS A 1 428 ? -28.721 34.857 -12.526 1.00 33.99 ? 440 CYS A SG 1 ATOM 6622 H H . CYS A 1 428 ? -30.110 38.006 -10.169 1.00 39.97 ? 440 CYS A H 1 ATOM 6623 H HA . CYS A 1 428 ? -28.145 37.641 -11.814 1.00 39.60 ? 440 CYS A HA 1 ATOM 6624 H HB2 . CYS A 1 428 ? -29.126 35.929 -10.546 1.00 40.10 ? 440 CYS A HB2 1 ATOM 6625 H HB3 . CYS A 1 428 ? -30.408 35.992 -11.477 1.00 40.10 ? 440 CYS A HB3 1 ATOM 6626 N N . LEU A 1 429 ? -30.944 38.106 -13.340 1.00 34.53 ? 441 LEU A N 1 ATOM 6627 C CA . LEU A 1 429 ? -31.489 38.440 -14.655 1.00 36.77 ? 441 LEU A CA 1 ATOM 6628 C C . LEU A 1 429 ? -31.000 39.798 -15.128 1.00 37.80 ? 441 LEU A C 1 ATOM 6629 O O . LEU A 1 429 ? -30.694 39.972 -16.318 1.00 37.58 ? 441 LEU A O 1 ATOM 6630 C CB . LEU A 1 429 ? -33.018 38.430 -14.630 1.00 37.55 ? 441 LEU A CB 1 ATOM 6631 C CG . LEU A 1 429 ? -33.779 37.112 -14.511 1.00 38.42 ? 441 LEU A CG 1 ATOM 6632 C CD1 . LEU A 1 429 ? -35.184 37.341 -14.982 1.00 38.19 ? 441 LEU A CD1 1 ATOM 6633 C CD2 . LEU A 1 429 ? -33.138 36.012 -15.298 1.00 39.82 ? 441 LEU A CD2 1 ATOM 6634 H H . LEU A 1 429 ? -31.522 38.070 -12.705 1.00 41.43 ? 441 LEU A H 1 ATOM 6635 H HA . LEU A 1 429 ? -31.195 37.775 -15.297 1.00 44.12 ? 441 LEU A HA 1 ATOM 6636 H HB2 . LEU A 1 429 ? -33.298 38.976 -13.879 1.00 45.06 ? 441 LEU A HB2 1 ATOM 6637 H HB3 . LEU A 1 429 ? -33.323 38.849 -15.449 1.00 45.06 ? 441 LEU A HB3 1 ATOM 6638 H HG . LEU A 1 429 ? -33.809 36.842 -13.580 1.00 46.10 ? 441 LEU A HG 1 ATOM 6639 H HD11 . LEU A 1 429 ? -35.679 36.510 -14.911 1.00 45.82 ? 441 LEU A HD11 1 ATOM 6640 H HD12 . LEU A 1 429 ? -35.596 38.020 -14.425 1.00 45.82 ? 441 LEU A HD12 1 ATOM 6641 H HD13 . LEU A 1 429 ? -35.163 37.637 -15.905 1.00 45.82 ? 441 LEU A HD13 1 ATOM 6642 H HD21 . LEU A 1 429 ? -33.659 35.201 -15.189 1.00 47.78 ? 441 LEU A HD21 1 ATOM 6643 H HD22 . LEU A 1 429 ? -33.114 36.266 -16.234 1.00 47.78 ? 441 LEU A HD22 1 ATOM 6644 H HD23 . LEU A 1 429 ? -32.236 35.873 -14.969 1.00 47.78 ? 441 LEU A HD23 1 ATOM 6645 N N . LYS A 1 430 ? -30.950 40.788 -14.231 1.00 39.31 ? 442 LYS A N 1 ATOM 6646 C CA . LYS A 1 430 ? -30.467 42.107 -14.630 1.00 41.99 ? 442 LYS A CA 1 ATOM 6647 C C . LYS A 1 430 ? -29.052 42.006 -15.173 1.00 43.96 ? 442 LYS A C 1 ATOM 6648 O O . LYS A 1 430 ? -28.710 42.645 -16.171 1.00 45.16 ? 442 LYS A O 1 ATOM 6649 C CB . LYS A 1 430 ? -30.520 43.074 -13.440 1.00 42.93 ? 442 LYS A CB 1 ATOM 6650 C CG . LYS A 1 430 ? -30.275 44.552 -13.825 1.00 46.11 ? 442 LYS A CG 1 ATOM 6651 C CD . LYS A 1 430 ? -30.536 45.499 -12.644 1.00 50.27 ? 442 LYS A CD 1 ATOM 6652 C CE . LYS A 1 430 ? -30.459 46.967 -13.059 1.00 52.98 ? 442 LYS A CE 1 ATOM 6653 N NZ . LYS A 1 430 ? -30.702 47.863 -11.886 1.00 54.41 ? 442 LYS A NZ 1 ATOM 6654 H H . LYS A 1 430 ? -31.185 40.723 -13.407 1.00 47.18 ? 442 LYS A H 1 ATOM 6655 H HA . LYS A 1 430 ? -31.037 42.458 -15.332 1.00 50.38 ? 442 LYS A HA 1 ATOM 6656 H HB2 . LYS A 1 430 ? -31.396 43.016 -13.029 1.00 51.51 ? 442 LYS A HB2 1 ATOM 6657 H HB3 . LYS A 1 430 ? -29.838 42.818 -12.798 1.00 51.51 ? 442 LYS A HB3 1 ATOM 6658 H HG2 . LYS A 1 430 ? -29.352 44.661 -14.102 1.00 55.33 ? 442 LYS A HG2 1 ATOM 6659 H HG3 . LYS A 1 430 ? -30.874 44.797 -14.547 1.00 55.33 ? 442 LYS A HG3 1 ATOM 6660 H HD2 . LYS A 1 430 ? -31.423 45.330 -12.290 1.00 60.32 ? 442 LYS A HD2 1 ATOM 6661 H HD3 . LYS A 1 430 ? -29.868 45.343 -11.958 1.00 60.32 ? 442 LYS A HD3 1 ATOM 6662 H HE2 . LYS A 1 430 ? -29.576 47.157 -13.412 1.00 63.58 ? 442 LYS A HE2 1 ATOM 6663 H HE3 . LYS A 1 430 ? -31.137 47.149 -13.728 1.00 63.58 ? 442 LYS A HE3 1 ATOM 6664 H HZ1 . LYS A 1 430 ? -30.655 48.715 -12.140 1.00 65.29 ? 442 LYS A HZ1 1 ATOM 6665 H HZ2 . LYS A 1 430 ? -31.509 47.706 -11.546 1.00 65.29 ? 442 LYS A HZ2 1 ATOM 6666 H HZ3 . LYS A 1 430 ? -30.089 47.714 -11.258 1.00 65.29 ? 442 LYS A HZ3 1 ATOM 6667 N N . GLN A 1 431 ? -28.220 41.180 -14.546 1.00 45.03 ? 443 GLN A N 1 ATOM 6668 C CA . GLN A 1 431 ? -26.832 41.088 -14.957 1.00 46.03 ? 443 GLN A CA 1 ATOM 6669 C C . GLN A 1 431 ? -26.644 40.308 -16.251 1.00 48.22 ? 443 GLN A C 1 ATOM 6670 O O . GLN A 1 431 ? -25.716 40.610 -17.003 1.00 47.82 ? 443 GLN A O 1 ATOM 6671 C CB . GLN A 1 431 ? -26.009 40.453 -13.847 1.00 46.05 ? 443 GLN A CB 1 ATOM 6672 C CG . GLN A 1 431 ? -25.992 41.314 -12.593 1.00 47.71 ? 443 GLN A CG 1 ATOM 6673 C CD . GLN A 1 431 ? -24.968 40.849 -11.610 1.00 50.17 ? 443 GLN A CD 1 ATOM 6674 O OE1 . GLN A 1 431 ? -23.952 40.270 -12.004 1.00 50.90 ? 443 GLN A OE1 1 ATOM 6675 N NE2 . GLN A 1 431 ? -25.212 41.097 -10.321 1.00 50.82 ? 443 GLN A NE2 1 ATOM 6676 H H . GLN A 1 431 ? -28.435 40.669 -13.889 1.00 54.03 ? 443 GLN A H 1 ATOM 6677 H HA . GLN A 1 431 ? -26.491 41.984 -15.102 1.00 55.24 ? 443 GLN A HA 1 ATOM 6678 H HB2 . GLN A 1 431 ? -26.392 39.591 -13.618 1.00 55.26 ? 443 GLN A HB2 1 ATOM 6679 H HB3 . GLN A 1 431 ? -25.094 40.342 -14.151 1.00 55.26 ? 443 GLN A HB3 1 ATOM 6680 H HG2 . GLN A 1 431 ? -25.783 42.229 -12.838 1.00 57.25 ? 443 GLN A HG2 1 ATOM 6681 H HG3 . GLN A 1 431 ? -26.862 41.272 -12.167 1.00 57.25 ? 443 GLN A HG3 1 ATOM 6682 H HE21 . GLN A 1 431 ? -25.932 41.507 -10.091 1.00 60.99 ? 443 GLN A HE21 1 ATOM 6683 H HE22 . GLN A 1 431 ? -24.649 40.847 -9.721 1.00 60.99 ? 443 GLN A HE22 1 ATOM 6684 N N . HIS A 1 432 ? -27.499 39.319 -16.541 1.00 50.26 ? 444 HIS A N 1 ATOM 6685 C CA . HIS A 1 432 ? -27.200 38.355 -17.593 1.00 53.48 ? 444 HIS A CA 1 ATOM 6686 C C . HIS A 1 432 ? -28.197 38.302 -18.741 1.00 55.73 ? 444 HIS A C 1 ATOM 6687 O O . HIS A 1 432 ? -27.930 37.604 -19.727 1.00 55.92 ? 444 HIS A O 1 ATOM 6688 C CB . HIS A 1 432 ? -27.051 36.952 -16.992 1.00 54.36 ? 444 HIS A CB 1 ATOM 6689 C CG . HIS A 1 432 ? -25.907 36.843 -16.033 1.00 55.72 ? 444 HIS A CG 1 ATOM 6690 N ND1 . HIS A 1 432 ? -24.589 36.926 -16.436 1.00 55.99 ? 444 HIS A ND1 1 ATOM 6691 C CD2 . HIS A 1 432 ? -25.880 36.686 -14.690 1.00 56.43 ? 444 HIS A CD2 1 ATOM 6692 C CE1 . HIS A 1 432 ? -23.799 36.804 -15.385 1.00 56.10 ? 444 HIS A CE1 1 ATOM 6693 N NE2 . HIS A 1 432 ? -24.557 36.661 -14.312 1.00 56.86 ? 444 HIS A NE2 1 ATOM 6694 H H . HIS A 1 432 ? -28.251 39.191 -16.145 1.00 60.31 ? 444 HIS A H 1 ATOM 6695 H HA . HIS A 1 432 ? -26.341 38.592 -17.977 1.00 64.18 ? 444 HIS A HA 1 ATOM 6696 H HB2 . HIS A 1 432 ? -27.865 36.726 -16.514 1.00 65.24 ? 444 HIS A HB2 1 ATOM 6697 H HB3 . HIS A 1 432 ? -26.902 36.317 -17.709 1.00 65.24 ? 444 HIS A HB3 1 ATOM 6698 H HD2 . HIS A 1 432 ? -26.616 36.602 -14.128 1.00 67.72 ? 444 HIS A HD2 1 ATOM 6699 H HE1 . HIS A 1 432 ? -22.869 36.823 -15.397 1.00 67.32 ? 444 HIS A HE1 1 ATOM 6700 H HE2 . HIS A 1 432 ? -24.269 36.566 -13.507 1.00 68.23 ? 444 HIS A HE2 1 ATOM 6701 N N . LEU A 1 433 ? -29.302 39.031 -18.671 1.00 57.45 ? 445 LEU A N 1 ATOM 6702 C CA . LEU A 1 433 ? -30.383 38.857 -19.636 1.00 59.15 ? 445 LEU A CA 1 ATOM 6703 C C . LEU A 1 433 ? -30.460 40.007 -20.643 1.00 60.00 ? 445 LEU A C 1 ATOM 6704 O O . LEU A 1 433 ? -29.616 40.912 -20.647 1.00 60.65 ? 445 LEU A O 1 ATOM 6705 C CB . LEU A 1 433 ? -31.712 38.699 -18.879 1.00 59.66 ? 445 LEU A CB 1 ATOM 6706 C CG . LEU A 1 433 ? -32.889 38.110 -19.649 1.00 60.07 ? 445 LEU A CG 1 ATOM 6707 C CD1 . LEU A 1 433 ? -32.609 36.673 -20.118 1.00 60.41 ? 445 LEU A CD1 1 ATOM 6708 C CD2 . LEU A 1 433 ? -34.144 38.179 -18.798 1.00 59.38 ? 445 LEU A CD2 1 ATOM 6709 H H . LEU A 1 433 ? -29.453 39.633 -18.075 1.00 68.94 ? 445 LEU A H 1 ATOM 6710 H HA . LEU A 1 433 ? -30.227 38.039 -20.134 1.00 70.98 ? 445 LEU A HA 1 ATOM 6711 H HB2 . LEU A 1 433 ? -31.555 38.124 -18.114 1.00 71.59 ? 445 LEU A HB2 1 ATOM 6712 H HB3 . LEU A 1 433 ? -31.986 39.576 -18.568 1.00 71.59 ? 445 LEU A HB3 1 ATOM 6713 H HG . LEU A 1 433 ? -33.042 38.650 -20.439 1.00 72.08 ? 445 LEU A HG 1 ATOM 6714 H HD11 . LEU A 1 433 ? -33.382 36.342 -20.601 1.00 72.49 ? 445 LEU A HD11 1 ATOM 6715 H HD12 . LEU A 1 433 ? -31.833 36.677 -20.700 1.00 72.49 ? 445 LEU A HD12 1 ATOM 6716 H HD13 . LEU A 1 433 ? -32.438 36.115 -19.343 1.00 72.49 ? 445 LEU A HD13 1 ATOM 6717 H HD21 . LEU A 1 433 ? -34.885 37.801 -19.297 1.00 71.25 ? 445 LEU A HD21 1 ATOM 6718 H HD22 . LEU A 1 433 ? -34.001 37.672 -17.984 1.00 71.25 ? 445 LEU A HD22 1 ATOM 6719 H HD23 . LEU A 1 433 ? -34.328 39.106 -18.583 1.00 71.25 ? 445 LEU A HD23 1 HETATM 6720 ZN ZN . ZN B 2 . ? -48.540 16.948 -11.567 1.00 25.62 ? 501 ZN A ZN 1 HETATM 6721 ZN ZN . ZN C 2 . ? -49.000 19.715 -9.284 1.00 29.55 ? 502 ZN A ZN 1 HETATM 6722 C C1 . NAG D 3 . ? -56.626 0.412 -9.399 1.00 40.48 ? 503 NAG A C1 1 HETATM 6723 C C2 . NAG D 3 . ? -57.009 -0.961 -8.815 1.00 42.91 ? 503 NAG A C2 1 HETATM 6724 C C3 . NAG D 3 . ? -56.748 -2.063 -9.830 1.00 48.87 ? 503 NAG A C3 1 HETATM 6725 C C4 . NAG D 3 . ? -57.478 -1.770 -11.129 1.00 55.07 ? 503 NAG A C4 1 HETATM 6726 C C5 . NAG D 3 . ? -57.104 -0.393 -11.667 1.00 49.77 ? 503 NAG A C5 1 HETATM 6727 C C6 . NAG D 3 . ? -57.909 -0.060 -12.911 1.00 49.80 ? 503 NAG A C6 1 HETATM 6728 C C7 . NAG D 3 . ? -56.824 -1.048 -6.375 1.00 40.92 ? 503 NAG A C7 1 HETATM 6729 C C8 . NAG D 3 . ? -55.949 -1.391 -5.212 1.00 41.29 ? 503 NAG A C8 1 HETATM 6730 N N2 . NAG D 3 . ? -56.292 -1.239 -7.582 1.00 41.77 ? 503 NAG A N2 1 HETATM 6731 O O3 . NAG D 3 . ? -57.195 -3.299 -9.275 1.00 48.85 ? 503 NAG A O3 1 HETATM 6732 O O4 . NAG D 3 . ? -57.068 -2.712 -12.113 1.00 67.67 ? 503 NAG A O4 1 HETATM 6733 O O5 . NAG D 3 . ? -57.339 0.626 -10.678 1.00 44.43 ? 503 NAG A O5 1 HETATM 6734 O O6 . NAG D 3 . ? -58.375 1.279 -13.015 1.00 50.82 ? 503 NAG A O6 1 HETATM 6735 O O7 . NAG D 3 . ? -57.958 -0.616 -6.229 1.00 40.11 ? 503 NAG A O7 1 HETATM 6736 H H1 . NAG D 3 . ? -55.664 0.437 -9.559 1.00 48.58 ? 503 NAG A H1 1 HETATM 6737 H H2 . NAG D 3 . ? -57.966 -0.952 -8.621 1.00 51.50 ? 503 NAG A H2 1 HETATM 6738 H H3 . NAG D 3 . ? -55.790 -2.118 -10.005 1.00 58.64 ? 503 NAG A H3 1 HETATM 6739 H H4 . NAG D 3 . ? -58.443 -1.825 -10.992 1.00 66.09 ? 503 NAG A H4 1 HETATM 6740 H H5 . NAG D 3 . ? -56.155 -0.394 -11.898 1.00 59.72 ? 503 NAG A H5 1 HETATM 6741 H H61 . NAG D 3 . ? -58.684 -0.653 -12.938 1.00 59.76 ? 503 NAG A H61 1 HETATM 6742 H H62 . NAG D 3 . ? -57.354 -0.248 -13.691 1.00 59.76 ? 503 NAG A H62 1 HETATM 6743 H H81 . NAG D 3 . ? -55.141 -0.846 -5.241 1.00 49.55 ? 503 NAG A H81 1 HETATM 6744 H H82 . NAG D 3 . ? -55.707 -2.336 -5.255 1.00 49.55 ? 503 NAG A H82 1 HETATM 6745 H H83 . NAG D 3 . ? -56.430 -1.216 -4.381 1.00 49.55 ? 503 NAG A H83 1 HETATM 6746 H HN2 . NAG D 3 . ? -55.442 -1.565 -7.637 1.00 50.12 ? 503 NAG A HN2 1 HETATM 6747 H HO3 . NAG D 3 . ? -58.020 -3.468 -9.555 1.00 58.62 ? 503 NAG A HO3 1 HETATM 6748 H HO6 . NAG D 3 . ? -57.888 1.716 -13.615 1.00 60.98 ? 503 NAG A HO6 1 HETATM 6749 C C1 . NAG E 3 . ? -58.083 -3.498 -12.780 1.00 80.64 ? 504 NAG A C1 1 HETATM 6750 C C2 . NAG E 3 . ? -58.359 -2.979 -14.196 1.00 101.81 ? 504 NAG A C2 1 HETATM 6751 C C3 . NAG E 3 . ? -57.203 -3.330 -15.126 1.00 52.13 ? 504 NAG A C3 1 HETATM 6752 C C4 . NAG E 3 . ? -55.983 -3.738 -14.317 1.00 38.12 ? 504 NAG A C4 1 HETATM 6753 C C5 . NAG E 3 . ? -56.307 -4.956 -13.439 1.00 73.62 ? 504 NAG A C5 1 HETATM 6754 C C6 . NAG E 3 . ? -55.360 -5.126 -12.274 1.00 91.88 ? 504 NAG A C6 1 HETATM 6755 C C7 . NAG E 3 . ? -60.318 -2.874 -15.647 1.00 64.29 ? 504 NAG A C7 1 HETATM 6756 C C8 . NAG E 3 . ? -61.597 -3.539 -16.067 1.00 88.98 ? 504 NAG A C8 1 HETATM 6757 N N2 . NAG E 3 . ? -59.611 -3.506 -14.711 1.00 86.56 ? 504 NAG A N2 1 HETATM 6758 O O3 . NAG E 3 . ? -56.884 -2.193 -15.919 1.00 59.24 ? 504 NAG A O3 1 HETATM 6759 O O4 . NAG E 3 . ? -54.865 -3.987 -15.158 1.00 54.24 ? 504 NAG A O4 1 HETATM 6760 O O5 . NAG E 3 . ? -57.611 -4.823 -12.848 1.00 82.61 ? 504 NAG A O5 1 HETATM 6761 O O6 . NAG E 3 . ? -56.086 -5.300 -11.063 1.00 82.63 ? 504 NAG A O6 1 HETATM 6762 O O7 . NAG E 3 . ? -59.943 -1.813 -16.133 1.00 81.68 ? 504 NAG A O7 1 HETATM 6763 H H1 . NAG E 3 . ? -58.909 -3.475 -12.261 1.00 96.77 ? 504 NAG A H1 1 HETATM 6764 H H2 . NAG E 3 . ? -58.426 -2.006 -14.156 1.00 122.17 ? 504 NAG A H2 1 HETATM 6765 H H3 . NAG E 3 . ? -57.468 -4.068 -15.708 1.00 62.56 ? 504 NAG A H3 1 HETATM 6766 H H4 . NAG E 3 . ? -55.753 -2.995 -13.727 1.00 45.74 ? 504 NAG A H4 1 HETATM 6767 H H5 . NAG E 3 . ? -56.285 -5.762 -13.989 1.00 88.34 ? 504 NAG A H5 1 HETATM 6768 H H61 . NAG E 3 . ? -54.795 -4.333 -12.200 1.00 110.26 ? 504 NAG A H61 1 HETATM 6769 H H62 . NAG E 3 . ? -54.798 -5.909 -12.428 1.00 110.26 ? 504 NAG A H62 1 HETATM 6770 H H81 . NAG E 3 . ? -62.187 -3.626 -15.295 1.00 106.78 ? 504 NAG A H81 1 HETATM 6771 H H82 . NAG E 3 . ? -61.400 -4.424 -16.428 1.00 106.78 ? 504 NAG A H82 1 HETATM 6772 H H83 . NAG E 3 . ? -62.034 -2.998 -16.752 1.00 106.78 ? 504 NAG A H83 1 HETATM 6773 H HN2 . NAG E 3 . ? -59.929 -4.292 -14.373 1.00 103.87 ? 504 NAG A HN2 1 HETATM 6774 H HO3 . NAG E 3 . ? -57.632 -1.829 -16.230 1.00 71.09 ? 504 NAG A HO3 1 HETATM 6775 H HO4 . NAG E 3 . ? -54.139 -4.101 -14.660 1.00 65.09 ? 504 NAG A HO4 1 HETATM 6776 H HO6 . NAG E 3 . ? -56.956 -5.324 -11.240 1.00 99.16 ? 504 NAG A HO6 1 HETATM 6777 C C1 . FUC F 4 . ? -37.540 20.648 24.429 1.00 82.97 ? 505 FUC A C1 1 HETATM 6778 C C2 . FUC F 4 . ? -39.090 20.270 24.570 1.00 71.00 ? 505 FUC A C2 1 HETATM 6779 C C3 . FUC F 4 . ? -39.761 19.937 23.225 1.00 72.97 ? 505 FUC A C3 1 HETATM 6780 C C4 . FUC F 4 . ? -38.898 18.913 22.437 1.00 76.16 ? 505 FUC A C4 1 HETATM 6781 C C5 . FUC F 4 . ? -37.481 19.501 22.237 1.00 69.53 ? 505 FUC A C5 1 HETATM 6782 C C6 . FUC F 4 . ? -36.493 18.540 21.596 1.00 52.06 ? 505 FUC A C6 1 HETATM 6783 O O2 . FUC F 4 . ? -39.834 21.266 25.299 1.00 73.52 ? 505 FUC A O2 1 HETATM 6784 O O3 . FUC F 4 . ? -41.044 19.358 23.477 1.00 82.09 ? 505 FUC A O3 1 HETATM 6785 O O4 . FUC F 4 . ? -38.844 17.650 23.094 1.00 60.12 ? 505 FUC A O4 1 HETATM 6786 O O5 . FUC F 4 . ? -36.841 19.870 23.480 1.00 71.64 ? 505 FUC A O5 1 HETATM 6787 H H1 . FUC F 4 . ? -37.016 20.482 25.378 1.00 99.56 ? 505 FUC A H1 1 HETATM 6788 H H2 . FUC F 4 . ? -39.137 19.363 25.180 1.00 85.20 ? 505 FUC A H2 1 HETATM 6789 H H3 . FUC F 4 . ? -39.862 20.859 22.633 1.00 87.56 ? 505 FUC A H3 1 HETATM 6790 H H4 . FUC F 4 . ? -39.341 18.793 21.433 1.00 91.39 ? 505 FUC A H4 1 HETATM 6791 H H5 . FUC F 4 . ? -37.591 20.404 21.619 1.00 83.44 ? 505 FUC A H5 1 HETATM 6792 H H61 . FUC F 4 . ? -35.514 19.019 21.495 1.00 62.47 ? 505 FUC A H61 1 HETATM 6793 H H62 . FUC F 4 . ? -36.851 18.241 20.609 1.00 62.47 ? 505 FUC A H62 1 HETATM 6794 H H63 . FUC F 4 . ? -36.380 17.643 22.214 1.00 62.47 ? 505 FUC A H63 1 HETATM 6795 H HO2 . FUC F 4 . ? -40.156 21.893 24.633 1.00 88.22 ? 505 FUC A HO2 1 HETATM 6796 H HO3 . FUC F 4 . ? -40.901 18.400 23.504 1.00 98.51 ? 505 FUC A HO3 1 HETATM 6797 H HO4 . FUC F 4 . ? -38.560 17.850 24.000 1.00 72.14 ? 505 FUC A HO4 1 HETATM 6798 C C1 . NAG G 3 . ? -36.825 24.964 21.017 1.00 45.15 ? 506 NAG A C1 1 HETATM 6799 C C2 . NAG G 3 . ? -37.783 25.956 21.693 1.00 48.24 ? 506 NAG A C2 1 HETATM 6800 C C3 . NAG G 3 . ? -37.486 26.083 23.188 1.00 53.46 ? 506 NAG A C3 1 HETATM 6801 C C4 . NAG G 3 . ? -37.346 24.721 23.846 1.00 60.94 ? 506 NAG A C4 1 HETATM 6802 C C5 . NAG G 3 . ? -36.369 23.872 23.048 1.00 58.88 ? 506 NAG A C5 1 HETATM 6803 C C6 . NAG G 3 . ? -36.235 22.476 23.593 1.00 66.31 ? 506 NAG A C6 1 HETATM 6804 C C7 . NAG G 3 . ? -38.605 27.770 20.262 1.00 50.38 ? 506 NAG A C7 1 HETATM 6805 C C8 . NAG G 3 . ? -38.301 29.130 19.711 1.00 50.40 ? 506 NAG A C8 1 HETATM 6806 N N2 . NAG G 3 . ? -37.678 27.260 21.068 1.00 47.41 ? 506 NAG A N2 1 HETATM 6807 O O3 . NAG G 3 . ? -38.556 26.805 23.782 1.00 52.45 ? 506 NAG A O3 1 HETATM 6808 O O4 . NAG G 3 . ? -36.873 24.887 25.182 1.00 70.89 ? 506 NAG A O4 1 HETATM 6809 O O5 . NAG G 3 . ? -36.843 23.747 21.695 1.00 50.73 ? 506 NAG A O5 1 HETATM 6810 O O6 . NAG G 3 . ? -37.487 22.045 24.090 1.00 74.54 ? 506 NAG A O6 1 HETATM 6811 O O7 . NAG G 3 . ? -39.632 27.149 19.962 1.00 52.98 ? 506 NAG A O7 1 HETATM 6812 H H1 . NAG G 3 . ? -35.919 25.329 21.033 1.00 54.18 ? 506 NAG A H1 1 HETATM 6813 H H2 . NAG G 3 . ? -38.696 25.627 21.588 1.00 57.88 ? 506 NAG A H2 1 HETATM 6814 H H3 . NAG G 3 . ? -36.656 26.583 23.307 1.00 64.15 ? 506 NAG A H3 1 HETATM 6815 H H4 . NAG G 3 . ? -38.217 24.280 23.865 1.00 73.13 ? 506 NAG A H4 1 HETATM 6816 H H5 . NAG G 3 . ? -35.493 24.304 23.046 1.00 70.66 ? 506 NAG A H5 1 HETATM 6817 H H61 . NAG G 3 . ? -35.578 22.469 24.315 1.00 79.57 ? 506 NAG A H61 1 HETATM 6818 H H62 . NAG G 3 . ? -35.943 21.875 22.881 1.00 79.57 ? 506 NAG A H62 1 HETATM 6819 H H81 . NAG G 3 . ? -37.474 29.094 19.193 1.00 60.48 ? 506 NAG A H81 1 HETATM 6820 H H82 . NAG G 3 . ? -38.196 29.763 20.447 1.00 60.48 ? 506 NAG A H82 1 HETATM 6821 H H83 . NAG G 3 . ? -39.034 29.419 19.135 1.00 60.48 ? 506 NAG A H83 1 HETATM 6822 H HN2 . NAG G 3 . ? -36.939 27.763 21.245 1.00 56.89 ? 506 NAG A HN2 1 HETATM 6823 H HO3 . NAG G 3 . ? -38.640 27.593 23.381 1.00 62.94 ? 506 NAG A HO3 1 HETATM 6824 C C1 . NAG H 3 . ? -37.797 24.462 26.231 1.00 81.22 ? 507 NAG A C1 1 HETATM 6825 C C2 . NAG H 3 . ? -37.011 24.564 27.540 1.00 75.52 ? 507 NAG A C2 1 HETATM 6826 C C3 . NAG H 3 . ? -37.878 24.126 28.719 1.00 93.56 ? 507 NAG A C3 1 HETATM 6827 C C4 . NAG H 3 . ? -39.172 24.929 28.738 1.00 99.99 ? 507 NAG A C4 1 HETATM 6828 C C5 . NAG H 3 . ? -39.879 24.803 27.389 1.00 73.25 ? 507 NAG A C5 1 HETATM 6829 C C6 . NAG H 3 . ? -41.128 25.647 27.288 1.00 70.63 ? 507 NAG A C6 1 HETATM 6830 C C7 . NAG H 3 . ? -34.609 24.301 27.170 1.00 66.30 ? 507 NAG A C7 1 HETATM 6831 C C8 . NAG H 3 . ? -33.470 23.341 27.064 1.00 58.63 ? 507 NAG A C8 1 HETATM 6832 N N2 . NAG H 3 . ? -35.800 23.767 27.456 1.00 70.12 ? 507 NAG A N2 1 HETATM 6833 O O3 . NAG H 3 . ? -37.168 24.323 29.939 1.00 78.46 ? 507 NAG A O3 1 HETATM 6834 O O4 . NAG H 3 . ? -40.020 24.475 29.789 1.00 108.98 ? 507 NAG A O4 1 HETATM 6835 O O5 . NAG H 3 . ? -39.005 25.235 26.332 1.00 82.23 ? 507 NAG A O5 1 HETATM 6836 O O6 . NAG H 3 . ? -41.838 25.362 26.091 1.00 117.81 ? 507 NAG A O6 1 HETATM 6837 O O7 . NAG H 3 . ? -34.459 25.512 27.009 1.00 71.93 ? 507 NAG A O7 1 HETATM 6838 H H1 . NAG H 3 . ? -38.036 23.528 26.081 1.00 97.46 ? 507 NAG A H1 1 HETATM 6839 H H2 . NAG H 3 . ? -36.762 25.498 27.677 1.00 90.62 ? 507 NAG A H2 1 HETATM 6840 H H3 . NAG H 3 . ? -38.092 23.178 28.624 1.00 112.27 ? 507 NAG A H3 1 HETATM 6841 H H4 . NAG H 3 . ? -38.956 25.869 28.893 1.00 119.99 ? 507 NAG A H4 1 HETATM 6842 H H5 . NAG H 3 . ? -40.116 23.867 27.242 1.00 87.90 ? 507 NAG A H5 1 HETATM 6843 H H61 . NAG H 3 . ? -40.878 26.591 27.297 1.00 84.76 ? 507 NAG A H61 1 HETATM 6844 H H62 . NAG H 3 . ? -41.703 25.461 28.054 1.00 84.76 ? 507 NAG A H62 1 HETATM 6845 H H81 . NAG H 3 . ? -33.654 22.695 26.355 1.00 70.36 ? 507 NAG A H81 1 HETATM 6846 H H82 . NAG H 3 . ? -33.360 22.871 27.912 1.00 70.36 ? 507 NAG A H82 1 HETATM 6847 H H83 . NAG H 3 . ? -32.651 23.829 26.853 1.00 70.36 ? 507 NAG A H83 1 HETATM 6848 H HN2 . NAG H 3 . ? -35.864 22.862 27.547 1.00 84.14 ? 507 NAG A HN2 1 HETATM 6849 H HO3 . NAG H 3 . ? -37.729 24.611 30.564 1.00 94.15 ? 507 NAG A HO3 1 HETATM 6850 H HO4 . NAG H 3 . ? -40.761 24.128 29.443 1.00 130.78 ? 507 NAG A HO4 1 HETATM 6851 H HO6 . NAG H 3 . ? -42.275 26.089 25.826 1.00 141.37 ? 507 NAG A HO6 1 HETATM 6852 C C1 . NAG I 3 . ? -36.208 6.126 -27.232 1.00 35.20 ? 508 NAG A C1 1 HETATM 6853 C C2 . NAG I 3 . ? -34.840 6.723 -27.531 1.00 37.28 ? 508 NAG A C2 1 HETATM 6854 C C3 . NAG I 3 . ? -34.855 7.372 -28.910 1.00 41.88 ? 508 NAG A C3 1 HETATM 6855 C C4 . NAG I 3 . ? -35.352 6.366 -29.943 1.00 47.52 ? 508 NAG A C4 1 HETATM 6856 C C5 . NAG I 3 . ? -36.688 5.787 -29.490 1.00 42.10 ? 508 NAG A C5 1 HETATM 6857 C C6 . NAG I 3 . ? -37.212 4.716 -30.407 1.00 44.00 ? 508 NAG A C6 1 HETATM 6858 C C7 . NAG I 3 . ? -33.258 7.680 -25.908 1.00 36.24 ? 508 NAG A C7 1 HETATM 6859 C C8 . NAG I 3 . ? -33.044 8.731 -24.849 1.00 34.20 ? 508 NAG A C8 1 HETATM 6860 N N2 . NAG I 3 . ? -34.455 7.683 -26.508 1.00 35.19 ? 508 NAG A N2 1 HETATM 6861 O O3 . NAG I 3 . ? -33.550 7.847 -29.232 1.00 42.67 ? 508 NAG A O3 1 HETATM 6862 O O4 . NAG I 3 . ? -35.567 6.975 -31.210 1.00 59.80 ? 508 NAG A O4 1 HETATM 6863 O O5 . NAG I 3 . ? -36.531 5.177 -28.207 1.00 37.77 ? 508 NAG A O5 1 HETATM 6864 O O6 . NAG I 3 . ? -36.352 3.588 -30.334 1.00 46.23 ? 508 NAG A O6 1 HETATM 6865 O O7 . NAG I 3 . ? -32.379 6.867 -26.210 1.00 38.12 ? 508 NAG A O7 1 HETATM 6866 H H1 . NAG I 3 . ? -36.878 6.836 -27.240 1.00 42.24 ? 508 NAG A H1 1 HETATM 6867 H H2 . NAG I 3 . ? -34.185 6.000 -27.543 1.00 44.74 ? 508 NAG A H2 1 HETATM 6868 H H3 . NAG I 3 . ? -35.469 8.131 -28.893 1.00 50.25 ? 508 NAG A H3 1 HETATM 6869 H H4 . NAG I 3 . ? -34.700 5.646 -30.035 1.00 57.02 ? 508 NAG A H4 1 HETATM 6870 H H5 . NAG I 3 . ? -37.345 6.506 -29.427 1.00 50.52 ? 508 NAG A H5 1 HETATM 6871 H H61 . NAG I 3 . ? -37.234 5.052 -31.324 1.00 52.80 ? 508 NAG A H61 1 HETATM 6872 H H62 . NAG I 3 . ? -38.112 4.460 -30.131 1.00 52.80 ? 508 NAG A H62 1 HETATM 6873 H H81 . NAG I 3 . ? -33.702 8.615 -24.138 1.00 41.04 ? 508 NAG A H81 1 HETATM 6874 H H82 . NAG I 3 . ? -33.145 9.617 -25.245 1.00 41.04 ? 508 NAG A H82 1 HETATM 6875 H H83 . NAG I 3 . ? -32.145 8.641 -24.479 1.00 41.04 ? 508 NAG A H83 1 HETATM 6876 H HN2 . NAG I 3 . ? -35.072 8.300 -26.239 1.00 42.23 ? 508 NAG A HN2 1 HETATM 6877 H HO3 . NAG I 3 . ? -33.583 8.720 -29.392 1.00 51.21 ? 508 NAG A HO3 1 HETATM 6878 H HO6 . NAG I 3 . ? -36.838 2.852 -30.234 1.00 55.47 ? 508 NAG A HO6 1 HETATM 6879 C C1 . NAG J 3 . ? -34.349 7.190 -31.942 1.00 74.94 ? 509 NAG A C1 1 HETATM 6880 C C2 . NAG J 3 . ? -34.343 6.465 -33.311 1.00 76.83 ? 509 NAG A C2 1 HETATM 6881 C C3 . NAG J 3 . ? -33.183 6.948 -34.190 1.00 84.50 ? 509 NAG A C3 1 HETATM 6882 C C4 . NAG J 3 . ? -33.154 8.467 -34.267 1.00 97.36 ? 509 NAG A C4 1 HETATM 6883 C C5 . NAG J 3 . ? -33.064 9.014 -32.851 1.00 86.43 ? 509 NAG A C5 1 HETATM 6884 C C6 . NAG J 3 . ? -33.029 10.524 -32.784 1.00 69.44 ? 509 NAG A C6 1 HETATM 6885 C C7 . NAG J 3 . ? -35.210 4.173 -33.542 1.00 89.37 ? 509 NAG A C7 1 HETATM 6886 C C8 . NAG J 3 . ? -34.933 2.711 -33.298 1.00 68.27 ? 509 NAG A C8 1 HETATM 6887 N N2 . NAG J 3 . ? -34.261 5.023 -33.136 1.00 90.36 ? 509 NAG A N2 1 HETATM 6888 O O3 . NAG J 3 . ? -33.321 6.388 -35.491 1.00 82.14 ? 509 NAG A O3 1 HETATM 6889 O O4 . NAG J 3 . ? -32.058 8.924 -35.054 1.00 85.70 ? 509 NAG A O4 1 HETATM 6890 O O5 . NAG J 3 . ? -34.230 8.595 -32.133 1.00 87.83 ? 509 NAG A O5 1 HETATM 6891 O O6 . NAG J 3 . ? -32.981 10.988 -31.441 1.00 91.64 ? 509 NAG A O6 1 HETATM 6892 O O7 . NAG J 3 . ? -36.247 4.561 -34.075 1.00 88.49 ? 509 NAG A O7 1 HETATM 6893 H H1 . NAG J 3 . ? -33.593 6.875 -31.410 1.00 89.93 ? 509 NAG A H1 1 HETATM 6894 H H2 . NAG J 3 . ? -35.178 6.675 -33.771 1.00 92.20 ? 509 NAG A H2 1 HETATM 6895 H H3 . NAG J 3 . ? -32.343 6.637 -33.801 1.00 101.40 ? 509 NAG A H3 1 HETATM 6896 H H4 . NAG J 3 . ? -33.986 8.779 -34.673 1.00 116.83 ? 509 NAG A H4 1 HETATM 6897 H H5 . NAG J 3 . ? -32.269 8.653 -32.416 1.00 103.72 ? 509 NAG A H5 1 HETATM 6898 H H61 . NAG J 3 . ? -33.829 10.880 -33.215 1.00 83.33 ? 509 NAG A H61 1 HETATM 6899 H H62 . NAG J 3 . ? -32.241 10.845 -33.260 1.00 83.33 ? 509 NAG A H62 1 HETATM 6900 H H81 . NAG J 3 . ? -34.822 2.556 -32.341 1.00 81.92 ? 509 NAG A H81 1 HETATM 6901 H H82 . NAG J 3 . ? -34.117 2.452 -33.767 1.00 81.92 ? 509 NAG A H82 1 HETATM 6902 H H83 . NAG J 3 . ? -35.681 2.179 -33.629 1.00 81.92 ? 509 NAG A H83 1 HETATM 6903 H HN2 . NAG J 3 . ? -33.508 4.678 -32.754 1.00 108.43 ? 509 NAG A HN2 1 HETATM 6904 H HO3 . NAG J 3 . ? -32.533 6.088 -35.770 1.00 98.57 ? 509 NAG A HO3 1 HETATM 6905 H HO4 . NAG J 3 . ? -32.334 9.565 -35.604 1.00 102.84 ? 509 NAG A HO4 1 HETATM 6906 H HO6 . NAG J 3 . ? -33.197 10.325 -30.890 1.00 109.97 ? 509 NAG A HO6 1 HETATM 6907 C C1 . NAG K 3 . ? -58.514 12.598 -35.355 1.00 34.89 ? 510 NAG A C1 1 HETATM 6908 C C2 . NAG K 3 . ? -59.206 13.795 -35.953 1.00 65.77 ? 510 NAG A C2 1 HETATM 6909 C C3 . NAG K 3 . ? -60.186 13.329 -37.020 1.00 78.57 ? 510 NAG A C3 1 HETATM 6910 C C4 . NAG K 3 . ? -59.422 12.624 -38.131 1.00 51.14 ? 510 NAG A C4 1 HETATM 6911 C C5 . NAG K 3 . ? -58.577 11.471 -37.585 1.00 64.83 ? 510 NAG A C5 1 HETATM 6912 C C6 . NAG K 3 . ? -57.572 10.997 -38.612 1.00 46.95 ? 510 NAG A C6 1 HETATM 6913 C C7 . NAG K 3 . ? -59.296 15.622 -34.332 1.00 60.15 ? 510 NAG A C7 1 HETATM 6914 C C8 . NAG K 3 . ? -60.127 16.331 -33.305 1.00 36.18 ? 510 NAG A C8 1 HETATM 6915 N N2 . NAG K 3 . ? -59.879 14.585 -34.938 1.00 38.42 ? 510 NAG A N2 1 HETATM 6916 O O3 . NAG K 3 . ? -60.893 14.444 -37.549 1.00 71.75 ? 510 NAG A O3 1 HETATM 6917 O O4 . NAG K 3 . ? -60.321 12.113 -39.110 1.00 71.43 ? 510 NAG A O4 1 HETATM 6918 O O5 . NAG K 3 . ? -57.815 11.857 -36.415 1.00 52.54 ? 510 NAG A O5 1 HETATM 6919 O O6 . NAG K 3 . ? -57.443 9.583 -38.631 1.00 64.80 ? 510 NAG A O6 1 HETATM 6920 O O7 . NAG K 3 . ? -58.140 15.967 -34.597 1.00 44.83 ? 510 NAG A O7 1 HETATM 6921 H H1 . NAG K 3 . ? -59.179 12.016 -34.941 1.00 41.87 ? 510 NAG A H1 1 HETATM 6922 H H2 . NAG K 3 . ? -58.532 14.353 -36.385 1.00 78.92 ? 510 NAG A H2 1 HETATM 6923 H H3 . NAG K 3 . ? -60.822 12.705 -36.622 1.00 94.28 ? 510 NAG A H3 1 HETATM 6924 H H4 . NAG K 3 . ? -58.828 13.269 -38.560 1.00 61.37 ? 510 NAG A H4 1 HETATM 6925 H H5 . NAG K 3 . ? -59.166 10.730 -37.350 1.00 77.80 ? 510 NAG A H5 1 HETATM 6926 H H61 . NAG K 3 . ? -56.702 11.390 -38.408 1.00 56.34 ? 510 NAG A H61 1 HETATM 6927 H H62 . NAG K 3 . ? -57.856 11.299 -39.495 1.00 56.34 ? 510 NAG A H62 1 HETATM 6928 H H81 . NAG K 3 . ? -60.936 16.680 -33.725 1.00 43.42 ? 510 NAG A H81 1 HETATM 6929 H H82 . NAG K 3 . ? -59.614 17.068 -32.923 1.00 43.42 ? 510 NAG A H82 1 HETATM 6930 H H83 . NAG K 3 . ? -60.373 15.705 -32.598 1.00 43.42 ? 510 NAG A H83 1 HETATM 6931 H HN2 . NAG K 3 . ? -60.733 14.366 -34.708 1.00 46.10 ? 510 NAG A HN2 1 HETATM 6932 H HO3 . NAG K 3 . ? -61.187 14.249 -38.364 1.00 86.10 ? 510 NAG A HO3 1 HETATM 6933 H HO4 . NAG K 3 . ? -60.040 12.345 -39.920 1.00 85.72 ? 510 NAG A HO4 1 HETATM 6934 H HO6 . NAG K 3 . ? -56.872 9.347 -39.268 1.00 77.76 ? 510 NAG A HO6 1 HETATM 6935 C C1 . NAG L 3 . ? -52.578 41.273 1.871 1.00 61.82 ? 511 NAG A C1 1 HETATM 6936 C C2 . NAG L 3 . ? -51.067 41.072 1.842 1.00 74.95 ? 511 NAG A C2 1 HETATM 6937 C C3 . NAG L 3 . ? -50.363 42.341 2.314 1.00 99.40 ? 511 NAG A C3 1 HETATM 6938 C C4 . NAG L 3 . ? -50.780 43.514 1.435 1.00 88.17 ? 511 NAG A C4 1 HETATM 6939 C C5 . NAG L 3 . ? -52.304 43.659 1.444 1.00 99.76 ? 511 NAG A C5 1 HETATM 6940 C C6 . NAG L 3 . ? -52.795 44.736 0.500 1.00 89.19 ? 511 NAG A C6 1 HETATM 6941 C C7 . NAG L 3 . ? -50.318 38.749 2.126 1.00 72.71 ? 511 NAG A C7 1 HETATM 6942 C C8 . NAG L 3 . ? -49.960 37.683 3.107 1.00 72.56 ? 511 NAG A C8 1 HETATM 6943 N N2 . NAG L 3 . ? -50.675 39.928 2.650 1.00 88.42 ? 511 NAG A N2 1 HETATM 6944 O O3 . NAG L 3 . ? -48.952 42.158 2.274 1.00 87.08 ? 511 NAG A O3 1 HETATM 6945 O O4 . NAG L 3 . ? -50.188 44.723 1.899 1.00 96.05 ? 511 NAG A O4 1 HETATM 6946 O O5 . NAG L 3 . ? -52.934 42.426 1.047 1.00 94.03 ? 511 NAG A O5 1 HETATM 6947 O O6 . NAG L 3 . ? -53.499 44.197 -0.611 1.00 89.83 ? 511 NAG A O6 1 HETATM 6948 O O7 . NAG L 3 . ? -50.281 38.557 0.913 1.00 66.46 ? 511 NAG A O7 1 HETATM 6949 H H1 . NAG L 3 . ? -52.864 41.433 2.790 1.00 74.18 ? 511 NAG A H1 1 HETATM 6950 H H2 . NAG L 3 . ? -50.799 40.905 0.919 1.00 89.94 ? 511 NAG A H2 1 HETATM 6951 H H3 . NAG L 3 . ? -50.631 42.526 3.234 1.00 119.28 ? 511 NAG A H3 1 HETATM 6952 H H4 . NAG L 3 . ? -50.483 43.346 0.521 1.00 105.80 ? 511 NAG A H4 1 HETATM 6953 H H5 . NAG L 3 . ? -52.591 43.881 2.350 1.00 119.71 ? 511 NAG A H5 1 HETATM 6954 H H61 . NAG L 3 . ? -52.028 45.243 0.172 1.00 107.03 ? 511 NAG A H61 1 HETATM 6955 H H62 . NAG L 3 . ? -53.388 45.338 0.988 1.00 107.03 ? 511 NAG A H62 1 HETATM 6956 H H81 . NAG L 3 . ? -50.725 37.503 3.686 1.00 87.07 ? 511 NAG A H81 1 HETATM 6957 H H82 . NAG L 3 . ? -49.204 37.979 3.648 1.00 87.07 ? 511 NAG A H82 1 HETATM 6958 H H83 . NAG L 3 . ? -49.716 36.868 2.627 1.00 87.07 ? 511 NAG A H83 1 HETATM 6959 H HN2 . NAG L 3 . ? -50.689 40.013 3.558 1.00 106.10 ? 511 NAG A HN2 1 HETATM 6960 H HO3 . NAG L 3 . ? -48.551 42.867 2.629 1.00 104.50 ? 511 NAG A HO3 1 HETATM 6961 H HO4 . NAG L 3 . ? -49.919 45.206 1.204 1.00 115.26 ? 511 NAG A HO4 1 HETATM 6962 H HO6 . NAG L 3 . ? -53.529 43.312 -0.541 1.00 107.80 ? 511 NAG A HO6 1 HETATM 6963 S S . SO4 M 5 . ? -49.819 19.995 -12.349 1.00 34.26 ? 512 SO4 A S 1 HETATM 6964 O O1 . SO4 M 5 . ? -48.723 20.760 -13.008 1.00 33.24 ? 512 SO4 A O1 1 HETATM 6965 O O2 . SO4 M 5 . ? -51.059 20.490 -13.060 1.00 36.87 ? 512 SO4 A O2 1 HETATM 6966 O O3 . SO4 M 5 . ? -49.781 18.545 -12.619 1.00 32.45 ? 512 SO4 A O3 1 HETATM 6967 O O4 . SO4 M 5 . ? -50.050 20.318 -10.930 1.00 31.27 ? 512 SO4 A O4 1 HETATM 6968 S S . SO4 N 5 . ? -65.446 18.787 2.647 1.00 65.30 ? 513 SO4 A S 1 HETATM 6969 O O1 . SO4 N 5 . ? -64.389 18.546 3.620 1.00 64.34 ? 513 SO4 A O1 1 HETATM 6970 O O2 . SO4 N 5 . ? -65.176 18.005 1.424 1.00 64.62 ? 513 SO4 A O2 1 HETATM 6971 O O3 . SO4 N 5 . ? -66.745 18.444 3.240 1.00 66.35 ? 513 SO4 A O3 1 HETATM 6972 O O4 . SO4 N 5 . ? -65.492 20.214 2.335 1.00 66.35 ? 513 SO4 A O4 1 HETATM 6973 S S . SO4 O 5 . ? -43.984 -5.257 -18.889 1.00 73.17 ? 514 SO4 A S 1 HETATM 6974 O O1 . SO4 O 5 . ? -43.366 -5.042 -20.184 1.00 89.20 ? 514 SO4 A O1 1 HETATM 6975 O O2 . SO4 O 5 . ? -45.231 -6.004 -19.054 1.00 102.44 ? 514 SO4 A O2 1 HETATM 6976 O O3 . SO4 O 5 . ? -43.065 -6.041 -18.065 1.00 110.41 ? 514 SO4 A O3 1 HETATM 6977 O O4 . SO4 O 5 . ? -44.238 -3.958 -18.242 1.00 56.25 ? 514 SO4 A O4 1 HETATM 6978 S S . SO4 P 5 . ? -42.851 12.709 17.171 1.00 138.12 ? 515 SO4 A S 1 HETATM 6979 O O1 . SO4 P 5 . ? -41.482 12.322 17.488 1.00 68.57 ? 515 SO4 A O1 1 HETATM 6980 O O2 . SO4 P 5 . ? -43.100 12.466 15.753 1.00 115.39 ? 515 SO4 A O2 1 HETATM 6981 O O3 . SO4 P 5 . ? -43.767 11.903 17.972 1.00 77.79 ? 515 SO4 A O3 1 HETATM 6982 O O4 . SO4 P 5 . ? -43.054 14.129 17.465 1.00 87.51 ? 515 SO4 A O4 1 HETATM 6983 S S . SO4 Q 5 . ? -54.141 36.378 8.563 1.00 110.50 ? 516 SO4 A S 1 HETATM 6984 O O1 . SO4 Q 5 . ? -53.570 37.195 7.508 1.00 81.26 ? 516 SO4 A O1 1 HETATM 6985 O O2 . SO4 Q 5 . ? -55.569 36.676 8.671 1.00 68.12 ? 516 SO4 A O2 1 HETATM 6986 O O3 . SO4 Q 5 . ? -53.963 34.967 8.225 1.00 148.74 ? 516 SO4 A O3 1 HETATM 6987 O O4 . SO4 Q 5 . ? -53.452 36.707 9.813 1.00 78.78 ? 516 SO4 A O4 1 HETATM 6988 S S . SO4 R 5 . ? -69.086 12.370 -4.337 1.00 154.06 ? 517 SO4 A S 1 HETATM 6989 O O1 . SO4 R 5 . ? -68.019 13.297 -3.979 1.00 40.88 ? 517 SO4 A O1 1 HETATM 6990 O O2 . SO4 R 5 . ? -68.688 11.498 -5.444 1.00 73.49 ? 517 SO4 A O2 1 HETATM 6991 O O3 . SO4 R 5 . ? -69.361 11.563 -3.157 1.00 73.88 ? 517 SO4 A O3 1 HETATM 6992 O O4 . SO4 R 5 . ? -70.275 13.126 -4.721 1.00 101.33 ? 517 SO4 A O4 1 HETATM 6993 C C1 . GOL S 6 . ? -29.755 32.844 -29.180 1.00 45.71 ? 518 GOL A C1 1 HETATM 6994 O O1 . GOL S 6 . ? -29.535 34.227 -29.254 1.00 67.78 ? 518 GOL A O1 1 HETATM 6995 C C2 . GOL S 6 . ? -28.467 32.130 -29.521 1.00 50.30 ? 518 GOL A C2 1 HETATM 6996 O O2 . GOL S 6 . ? -27.418 33.074 -29.455 1.00 72.88 ? 518 GOL A O2 1 HETATM 6997 C C3 . GOL S 6 . ? -28.149 30.978 -28.575 1.00 49.44 ? 518 GOL A C3 1 HETATM 6998 O O3 . GOL S 6 . ? -27.799 29.829 -29.321 1.00 66.22 ? 518 GOL A O3 1 HETATM 6999 H H11 . GOL S 6 . ? -30.076 32.572 -28.174 1.00 54.85 ? 518 GOL A H11 1 HETATM 7000 H H12 . GOL S 6 . ? -30.538 32.554 -29.880 1.00 54.85 ? 518 GOL A H12 1 HETATM 7001 H HO1 . GOL S 6 . ? -30.378 34.702 -29.100 1.00 81.34 ? 518 GOL A HO1 1 HETATM 7002 H H2 . GOL S 6 . ? -28.545 31.736 -30.535 1.00 60.36 ? 518 GOL A H2 1 HETATM 7003 H HO2 . GOL S 6 . ? -27.330 33.401 -28.536 1.00 87.46 ? 518 GOL A HO2 1 HETATM 7004 H H31 . GOL S 6 . ? -27.324 31.256 -27.920 1.00 59.33 ? 518 GOL A H31 1 HETATM 7005 H H32 . GOL S 6 . ? -29.018 30.762 -27.954 1.00 59.33 ? 518 GOL A H32 1 HETATM 7006 H HO3 . GOL S 6 . ? -27.482 29.129 -28.713 1.00 79.46 ? 518 GOL A HO3 1 HETATM 7007 C C1 . GOL T 6 . ? -25.936 32.916 -9.994 1.00 36.97 ? 519 GOL A C1 1 HETATM 7008 O O1 . GOL T 6 . ? -26.153 32.427 -11.306 1.00 53.85 ? 519 GOL A O1 1 HETATM 7009 C C2 . GOL T 6 . ? -24.754 32.211 -9.350 1.00 37.99 ? 519 GOL A C2 1 HETATM 7010 O O2 . GOL T 6 . ? -23.576 32.375 -10.117 1.00 68.35 ? 519 GOL A O2 1 HETATM 7011 C C3 . GOL T 6 . ? -24.504 32.766 -7.958 1.00 44.49 ? 519 GOL A C3 1 HETATM 7012 O O3 . GOL T 6 . ? -25.674 33.345 -7.412 1.00 58.58 ? 519 GOL A O3 1 HETATM 7013 H H11 . GOL T 6 . ? -25.746 33.989 -10.031 1.00 44.36 ? 519 GOL A H11 1 HETATM 7014 H H12 . GOL T 6 . ? -26.830 32.754 -9.392 1.00 44.36 ? 519 GOL A H12 1 HETATM 7015 H HO1 . GOL T 6 . ? -26.957 32.844 -11.682 1.00 64.62 ? 519 GOL A HO1 1 HETATM 7016 H H2 . GOL T 6 . ? -24.990 31.151 -9.262 1.00 45.59 ? 519 GOL A H2 1 HETATM 7017 H HO2 . GOL T 6 . ? -23.345 33.326 -10.162 1.00 82.02 ? 519 GOL A HO2 1 HETATM 7018 H H31 . GOL T 6 . ? -24.160 31.964 -7.305 1.00 53.39 ? 519 GOL A H31 1 HETATM 7019 H H32 . GOL T 6 . ? -23.717 33.518 -8.004 1.00 53.39 ? 519 GOL A H32 1 HETATM 7020 H HO3 . GOL T 6 . ? -25.447 34.194 -6.978 1.00 70.30 ? 519 GOL A HO3 1 HETATM 7021 C C1 . GOL U 6 . ? -25.505 30.874 -23.595 1.00 40.50 ? 520 GOL A C1 1 HETATM 7022 O O1 . GOL U 6 . ? -25.886 30.917 -24.946 1.00 74.46 ? 520 GOL A O1 1 HETATM 7023 C C2 . GOL U 6 . ? -24.229 30.061 -23.466 1.00 46.40 ? 520 GOL A C2 1 HETATM 7024 O O2 . GOL U 6 . ? -23.750 30.052 -22.131 1.00 66.29 ? 520 GOL A O2 1 HETATM 7025 C C3 . GOL U 6 . ? -24.631 28.692 -23.965 1.00 55.22 ? 520 GOL A C3 1 HETATM 7026 O O3 . GOL U 6 . ? -23.616 27.755 -23.766 1.00 65.84 ? 520 GOL A O3 1 HETATM 7027 H H11 . GOL U 6 . ? -25.338 31.886 -23.224 1.00 48.60 ? 520 GOL A H11 1 HETATM 7028 H H12 . GOL U 6 . ? -26.297 30.418 -23.001 1.00 48.60 ? 520 GOL A H12 1 HETATM 7029 H HO1 . GOL U 6 . ? -26.743 31.385 -25.029 1.00 89.35 ? 520 GOL A HO1 1 HETATM 7030 H H2 . GOL U 6 . ? -23.475 30.475 -24.135 1.00 55.68 ? 520 GOL A H2 1 HETATM 7031 H HO2 . GOL U 6 . ? -24.446 29.703 -21.536 1.00 79.55 ? 520 GOL A HO2 1 HETATM 7032 H H31 . GOL U 6 . ? -25.530 28.366 -23.442 1.00 66.26 ? 520 GOL A H31 1 HETATM 7033 H H32 . GOL U 6 . ? -24.866 28.749 -25.027 1.00 66.26 ? 520 GOL A H32 1 HETATM 7034 H HO3 . GOL U 6 . ? -23.521 27.201 -24.568 1.00 79.01 ? 520 GOL A HO3 1 HETATM 7035 O O . HOH V 7 . ? -52.826 33.437 8.694 1.00 45.32 ? 601 HOH A O 1 HETATM 7036 O O . HOH V 7 . ? -43.003 28.436 15.961 1.00 40.35 ? 602 HOH A O 1 HETATM 7037 O O . HOH V 7 . ? -58.633 2.823 -11.512 1.00 50.18 ? 603 HOH A O 1 HETATM 7038 O O . HOH V 7 . ? -24.510 8.192 -15.462 1.00 32.65 ? 604 HOH A O 1 HETATM 7039 O O . HOH V 7 . ? -42.753 10.716 14.377 1.00 28.06 ? 605 HOH A O 1 HETATM 7040 O O . HOH V 7 . ? -51.128 4.159 -31.886 1.00 54.87 ? 606 HOH A O 1 HETATM 7041 O O . HOH V 7 . ? -40.588 27.926 17.140 1.00 45.72 ? 607 HOH A O 1 HETATM 7042 O O . HOH V 7 . ? -62.219 18.716 -24.023 1.00 56.83 ? 608 HOH A O 1 HETATM 7043 O O . HOH V 7 . ? -40.340 11.558 19.390 1.00 56.86 ? 609 HOH A O 1 HETATM 7044 O O . HOH V 7 . ? -38.746 32.895 9.713 1.00 56.71 ? 610 HOH A O 1 HETATM 7045 O O . HOH V 7 . ? -47.983 18.759 -11.102 1.00 29.10 ? 611 HOH A O 1 HETATM 7046 O O . HOH V 7 . ? -32.562 42.629 -6.821 1.00 45.39 ? 612 HOH A O 1 HETATM 7047 O O . HOH V 7 . ? -18.502 31.476 -11.573 1.00 45.57 ? 613 HOH A O 1 HETATM 7048 O O . HOH V 7 . ? -47.104 -6.274 -9.426 1.00 43.45 ? 614 HOH A O 1 HETATM 7049 O O . HOH V 7 . ? -17.320 20.429 -10.164 1.00 47.59 ? 615 HOH A O 1 HETATM 7050 O O . HOH V 7 . ? -59.597 29.376 3.572 1.00 55.64 ? 616 HOH A O 1 HETATM 7051 O O . HOH V 7 . ? -34.109 26.783 16.849 1.00 38.36 ? 617 HOH A O 1 HETATM 7052 O O . HOH V 7 . ? -37.553 38.458 1.194 1.00 42.13 ? 618 HOH A O 1 HETATM 7053 O O . HOH V 7 . ? -33.848 11.628 -29.216 1.00 49.96 ? 619 HOH A O 1 HETATM 7054 O O . HOH V 7 . ? -34.051 13.252 -15.933 1.00 26.56 ? 620 HOH A O 1 HETATM 7055 O O . HOH V 7 . ? -57.546 25.948 -10.323 1.00 42.57 ? 621 HOH A O 1 HETATM 7056 O O . HOH V 7 . ? -13.663 24.439 -3.866 1.00 48.68 ? 622 HOH A O 1 HETATM 7057 O O . HOH V 7 . ? -46.722 -3.985 -18.439 1.00 36.98 ? 623 HOH A O 1 HETATM 7058 O O . HOH V 7 . ? -34.470 -4.700 -3.192 1.00 47.90 ? 624 HOH A O 1 HETATM 7059 O O . HOH V 7 . ? -27.415 20.717 6.151 1.00 48.18 ? 625 HOH A O 1 HETATM 7060 O O . HOH V 7 . ? -25.207 25.947 -24.490 1.00 41.82 ? 626 HOH A O 1 HETATM 7061 O O . HOH V 7 . ? -27.153 33.358 -5.362 1.00 52.51 ? 627 HOH A O 1 HETATM 7062 O O . HOH V 7 . ? -39.798 23.393 19.527 1.00 31.13 ? 628 HOH A O 1 HETATM 7063 O O . HOH V 7 . ? -45.786 -4.343 -14.535 1.00 34.69 ? 629 HOH A O 1 HETATM 7064 O O . HOH V 7 . ? -52.956 -1.515 3.488 1.00 42.80 ? 630 HOH A O 1 HETATM 7065 O O . HOH V 7 . ? -33.350 27.009 -29.301 1.00 50.80 ? 631 HOH A O 1 HETATM 7066 O O . HOH V 7 . ? -22.398 6.642 7.932 1.00 46.67 ? 632 HOH A O 1 HETATM 7067 O O . HOH V 7 . ? -53.693 18.156 -20.963 1.00 39.88 ? 633 HOH A O 1 HETATM 7068 O O . HOH V 7 . ? -53.358 -1.772 -7.627 1.00 44.24 ? 634 HOH A O 1 HETATM 7069 O O . HOH V 7 . ? -39.207 -7.211 -22.419 1.00 33.54 ? 635 HOH A O 1 HETATM 7070 O O . HOH V 7 . ? -63.499 4.208 -30.471 1.00 58.57 ? 636 HOH A O 1 HETATM 7071 O O . HOH V 7 . ? -37.070 37.328 -19.789 1.00 54.02 ? 637 HOH A O 1 HETATM 7072 O O . HOH V 7 . ? -53.097 14.892 -31.755 1.00 42.32 ? 638 HOH A O 1 HETATM 7073 O O . HOH V 7 . ? -37.418 1.243 -30.482 1.00 40.37 ? 639 HOH A O 1 HETATM 7074 O O . HOH V 7 . ? -29.522 18.443 22.219 1.00 55.30 ? 640 HOH A O 1 HETATM 7075 O O . HOH V 7 . ? -20.643 33.158 -4.556 1.00 36.29 ? 641 HOH A O 1 HETATM 7076 O O . HOH V 7 . ? -63.782 12.175 -27.278 1.00 53.97 ? 642 HOH A O 1 HETATM 7077 O O . HOH V 7 . ? -31.881 32.980 -0.727 1.00 43.01 ? 643 HOH A O 1 HETATM 7078 O O . HOH V 7 . ? -59.342 18.914 -12.243 1.00 33.66 ? 644 HOH A O 1 HETATM 7079 O O . HOH V 7 . ? -36.042 -1.087 -3.176 1.00 34.21 ? 645 HOH A O 1 HETATM 7080 O O . HOH V 7 . ? -42.436 -8.170 -20.268 1.00 50.46 ? 646 HOH A O 1 HETATM 7081 O O . HOH V 7 . ? -52.759 0.261 -21.081 1.00 34.32 ? 647 HOH A O 1 HETATM 7082 O O . HOH V 7 . ? -19.672 8.230 -9.221 1.00 47.63 ? 648 HOH A O 1 HETATM 7083 O O . HOH V 7 . ? -48.577 28.684 6.191 1.00 24.43 ? 649 HOH A O 1 HETATM 7084 O O . HOH V 7 . ? -41.307 37.195 -7.802 1.00 35.12 ? 650 HOH A O 1 HETATM 7085 O O . HOH V 7 . ? -58.350 0.993 -4.221 1.00 32.93 ? 651 HOH A O 1 HETATM 7086 O O . HOH V 7 . ? -36.846 2.345 -21.659 1.00 29.41 ? 652 HOH A O 1 HETATM 7087 O O . HOH V 7 . ? -28.848 26.271 10.373 1.00 37.18 ? 653 HOH A O 1 HETATM 7088 O O . HOH V 7 . ? -46.273 -6.390 -21.413 1.00 38.69 ? 654 HOH A O 1 HETATM 7089 O O . HOH V 7 . ? -24.094 25.465 -26.934 1.00 43.80 ? 655 HOH A O 1 HETATM 7090 O O . HOH V 7 . ? -23.341 18.433 4.204 1.00 48.02 ? 656 HOH A O 1 HETATM 7091 O O . HOH V 7 . ? -55.815 23.857 9.959 1.00 38.34 ? 657 HOH A O 1 HETATM 7092 O O . HOH V 7 . ? -44.968 13.692 14.221 1.00 36.21 ? 658 HOH A O 1 HETATM 7093 O O . HOH V 7 . ? -61.584 7.139 5.454 1.00 47.17 ? 659 HOH A O 1 HETATM 7094 O O . HOH V 7 . ? -39.460 10.691 -9.021 1.00 45.48 ? 660 HOH A O 1 HETATM 7095 O O . HOH V 7 . ? -45.720 0.500 1.673 1.00 39.69 ? 661 HOH A O 1 HETATM 7096 O O . HOH V 7 . ? -29.988 -0.063 -11.092 1.00 47.12 ? 662 HOH A O 1 HETATM 7097 O O . HOH V 7 . ? -31.959 1.148 7.887 1.00 44.95 ? 663 HOH A O 1 HETATM 7098 O O . HOH V 7 . ? -57.640 28.599 -9.440 1.00 37.00 ? 664 HOH A O 1 HETATM 7099 O O . HOH V 7 . ? -29.948 2.555 -19.309 1.00 47.18 ? 665 HOH A O 1 HETATM 7100 O O . HOH V 7 . ? -44.911 33.369 9.422 1.00 53.05 ? 666 HOH A O 1 HETATM 7101 O O . HOH V 7 . ? -22.119 -9.062 21.736 1.00 51.20 ? 667 HOH A O 1 HETATM 7102 O O . HOH V 7 . ? -30.632 5.676 -22.022 1.00 42.25 ? 668 HOH A O 1 HETATM 7103 O O . HOH V 7 . ? -27.055 29.171 -5.071 1.00 36.77 ? 669 HOH A O 1 HETATM 7104 O O . HOH V 7 . ? -68.414 17.062 -9.580 1.00 43.06 ? 670 HOH A O 1 HETATM 7105 O O . HOH V 7 . ? -33.970 23.520 -14.000 1.00 24.73 ? 671 HOH A O 1 HETATM 7106 O O . HOH V 7 . ? -46.629 20.409 -14.577 1.00 45.29 ? 672 HOH A O 1 HETATM 7107 O O . HOH V 7 . ? -35.188 29.787 -8.332 1.00 26.05 ? 673 HOH A O 1 HETATM 7108 O O . HOH V 7 . ? -20.947 10.436 -3.512 1.00 33.68 ? 674 HOH A O 1 HETATM 7109 O O . HOH V 7 . ? -47.239 19.512 -0.727 1.00 21.66 ? 675 HOH A O 1 HETATM 7110 O O . HOH V 7 . ? -36.462 22.990 -25.906 1.00 37.26 ? 676 HOH A O 1 HETATM 7111 O O . HOH V 7 . ? -47.183 -4.165 6.753 1.00 45.99 ? 677 HOH A O 1 HETATM 7112 O O . HOH V 7 . ? -53.613 24.563 -11.579 1.00 42.41 ? 678 HOH A O 1 HETATM 7113 O O . HOH V 7 . ? -62.352 16.119 9.071 1.00 57.08 ? 679 HOH A O 1 HETATM 7114 O O . HOH V 7 . ? -57.340 16.942 -11.484 1.00 28.20 ? 680 HOH A O 1 HETATM 7115 O O . HOH V 7 . ? -22.993 17.393 -23.064 1.00 36.54 ? 681 HOH A O 1 HETATM 7116 O O . HOH V 7 . ? -29.817 16.646 -14.091 1.00 29.40 ? 682 HOH A O 1 HETATM 7117 O O . HOH V 7 . ? -17.786 11.310 -14.408 1.00 49.22 ? 683 HOH A O 1 HETATM 7118 O O . HOH V 7 . ? -31.224 20.120 1.356 1.00 30.69 ? 684 HOH A O 1 HETATM 7119 O O . HOH V 7 . ? -28.892 19.538 -24.730 1.00 40.21 ? 685 HOH A O 1 HETATM 7120 O O . HOH V 7 . ? -45.885 15.755 -17.860 1.00 25.58 ? 686 HOH A O 1 HETATM 7121 O O . HOH V 7 . ? -64.818 20.821 -2.155 1.00 40.90 ? 687 HOH A O 1 HETATM 7122 O O . HOH V 7 . ? -29.150 36.294 -21.713 1.00 44.20 ? 688 HOH A O 1 HETATM 7123 O O . HOH V 7 . ? -41.584 10.120 -10.389 1.00 22.52 ? 689 HOH A O 1 HETATM 7124 O O . HOH V 7 . ? -26.986 10.407 -21.434 1.00 51.27 ? 690 HOH A O 1 HETATM 7125 O O . HOH V 7 . ? -41.779 28.664 -5.478 1.00 37.76 ? 691 HOH A O 1 HETATM 7126 O O . HOH V 7 . ? -48.132 0.418 10.687 1.00 28.67 ? 692 HOH A O 1 HETATM 7127 O O . HOH V 7 . ? -60.271 5.356 0.974 1.00 39.91 ? 693 HOH A O 1 HETATM 7128 O O . HOH V 7 . ? -36.198 26.059 -10.357 1.00 25.00 ? 694 HOH A O 1 HETATM 7129 O O . HOH V 7 . ? -30.154 9.801 -21.933 1.00 33.43 ? 695 HOH A O 1 HETATM 7130 O O . HOH V 7 . ? -46.292 32.380 11.601 1.00 35.32 ? 696 HOH A O 1 HETATM 7131 O O . HOH V 7 . ? -61.863 24.015 -0.906 1.00 45.64 ? 697 HOH A O 1 HETATM 7132 O O . HOH V 7 . ? -59.979 33.159 0.215 1.00 30.11 ? 698 HOH A O 1 HETATM 7133 O O . HOH V 7 . ? -38.626 3.236 7.876 1.00 28.21 ? 699 HOH A O 1 HETATM 7134 O O . HOH V 7 . ? -51.409 11.547 -4.126 1.00 26.31 ? 700 HOH A O 1 HETATM 7135 O O . HOH V 7 . ? -65.303 11.703 -15.335 1.00 39.21 ? 701 HOH A O 1 HETATM 7136 O O . HOH V 7 . ? -62.505 17.710 -2.049 1.00 29.72 ? 702 HOH A O 1 HETATM 7137 O O . HOH V 7 . ? -27.236 16.278 2.332 1.00 28.78 ? 703 HOH A O 1 HETATM 7138 O O . HOH V 7 . ? -55.231 17.774 -24.822 1.00 40.49 ? 704 HOH A O 1 HETATM 7139 O O . HOH V 7 . ? -26.013 25.980 7.199 1.00 48.02 ? 705 HOH A O 1 HETATM 7140 O O . HOH V 7 . ? -48.025 29.811 -7.889 1.00 27.81 ? 706 HOH A O 1 HETATM 7141 O O . HOH V 7 . ? -43.738 18.064 13.934 1.00 27.93 ? 707 HOH A O 1 HETATM 7142 O O . HOH V 7 . ? -60.338 1.790 -15.360 1.00 45.85 ? 708 HOH A O 1 HETATM 7143 O O . HOH V 7 . ? -59.350 10.246 9.514 1.00 48.67 ? 709 HOH A O 1 HETATM 7144 O O . HOH V 7 . ? -46.314 17.804 14.596 1.00 35.00 ? 710 HOH A O 1 HETATM 7145 O O . HOH V 7 . ? -28.919 19.058 16.134 1.00 42.01 ? 711 HOH A O 1 HETATM 7146 O O . HOH V 7 . ? -46.404 39.661 6.927 1.00 46.79 ? 712 HOH A O 1 HETATM 7147 O O . HOH V 7 . ? -32.524 10.187 -28.336 1.00 43.70 ? 713 HOH A O 1 HETATM 7148 O O . HOH V 7 . ? -49.420 31.230 12.817 1.00 33.92 ? 714 HOH A O 1 HETATM 7149 O O . HOH V 7 . ? -22.834 6.448 -3.190 1.00 47.51 ? 715 HOH A O 1 HETATM 7150 O O . HOH V 7 . ? -42.586 22.556 -15.462 1.00 26.69 ? 716 HOH A O 1 HETATM 7151 O O . HOH V 7 . ? -36.131 31.487 -14.576 1.00 25.80 ? 717 HOH A O 1 HETATM 7152 O O . HOH V 7 . ? -39.815 23.323 -14.861 1.00 24.86 ? 718 HOH A O 1 HETATM 7153 O O . HOH V 7 . ? -35.650 22.973 -29.063 1.00 49.82 ? 719 HOH A O 1 HETATM 7154 O O . HOH V 7 . ? -53.186 24.542 -4.526 1.00 31.42 ? 720 HOH A O 1 HETATM 7155 O O . HOH V 7 . ? -29.499 12.462 13.342 1.00 34.98 ? 721 HOH A O 1 HETATM 7156 O O . HOH V 7 . ? -48.601 -4.474 -23.253 1.00 30.43 ? 722 HOH A O 1 HETATM 7157 O O . HOH V 7 . ? -36.602 -4.038 -11.828 1.00 37.54 ? 723 HOH A O 1 HETATM 7158 O O . HOH V 7 . ? -35.541 -6.114 -5.925 1.00 42.92 ? 724 HOH A O 1 HETATM 7159 O O . HOH V 7 . ? -17.063 11.068 -4.736 1.00 53.46 ? 725 HOH A O 1 HETATM 7160 O O . HOH V 7 . ? -24.035 5.875 -6.951 1.00 39.54 ? 726 HOH A O 1 HETATM 7161 O O . HOH V 7 . ? -34.551 2.342 -23.201 1.00 33.31 ? 727 HOH A O 1 HETATM 7162 O O . HOH V 7 . ? -48.586 17.203 2.223 1.00 27.80 ? 728 HOH A O 1 HETATM 7163 O O . HOH V 7 . ? -40.470 -10.660 -22.706 1.00 35.83 ? 729 HOH A O 1 HETATM 7164 O O . HOH V 7 . ? -51.931 23.168 -11.882 1.00 49.48 ? 730 HOH A O 1 HETATM 7165 O O . HOH V 7 . ? -56.450 1.650 -18.248 1.00 40.72 ? 731 HOH A O 1 HETATM 7166 O O . HOH V 7 . ? -46.891 24.915 16.048 1.00 46.94 ? 732 HOH A O 1 HETATM 7167 O O . HOH V 7 . ? -53.299 -2.608 -19.222 1.00 49.44 ? 733 HOH A O 1 HETATM 7168 O O . HOH V 7 . ? -29.091 7.481 -20.441 1.00 40.57 ? 734 HOH A O 1 HETATM 7169 O O . HOH V 7 . ? -52.411 18.479 15.922 1.00 51.83 ? 735 HOH A O 1 HETATM 7170 O O . HOH V 7 . ? -27.494 28.556 -25.319 1.00 47.23 ? 736 HOH A O 1 HETATM 7171 O O . HOH V 7 . ? -61.146 6.858 -22.574 1.00 36.28 ? 737 HOH A O 1 HETATM 7172 O O . HOH V 7 . ? -36.290 34.820 1.213 1.00 34.88 ? 738 HOH A O 1 HETATM 7173 O O . HOH V 7 . ? -62.422 13.585 -34.870 1.00 51.57 ? 739 HOH A O 1 HETATM 7174 O O . HOH V 7 . ? -63.637 21.770 0.226 1.00 45.84 ? 740 HOH A O 1 HETATM 7175 O O . HOH V 7 . ? -56.624 16.738 13.805 1.00 33.56 ? 741 HOH A O 1 HETATM 7176 O O . HOH V 7 . ? -33.828 4.691 -24.402 1.00 33.23 ? 742 HOH A O 1 HETATM 7177 O O . HOH V 7 . ? -34.204 41.511 -13.100 1.00 43.92 ? 743 HOH A O 1 HETATM 7178 O O . HOH V 7 . ? -42.245 32.661 9.417 1.00 40.26 ? 744 HOH A O 1 HETATM 7179 O O . HOH V 7 . ? -29.237 18.100 13.838 1.00 42.54 ? 745 HOH A O 1 HETATM 7180 O O . HOH V 7 . ? -29.251 4.985 8.398 1.00 36.10 ? 746 HOH A O 1 HETATM 7181 O O . HOH V 7 . ? -24.336 25.056 -22.252 1.00 36.31 ? 747 HOH A O 1 HETATM 7182 O O . HOH V 7 . ? -45.868 5.863 -28.593 1.00 33.63 ? 748 HOH A O 1 HETATM 7183 O O . HOH V 7 . ? -63.245 11.592 4.421 1.00 38.06 ? 749 HOH A O 1 HETATM 7184 O O . HOH V 7 . ? -41.425 -2.881 -14.834 1.00 31.90 ? 750 HOH A O 1 HETATM 7185 O O . HOH V 7 . ? -60.220 24.682 -9.256 1.00 33.75 ? 751 HOH A O 1 HETATM 7186 O O . HOH V 7 . ? -39.306 0.827 5.838 1.00 37.78 ? 752 HOH A O 1 HETATM 7187 O O . HOH V 7 . ? -35.553 28.631 -19.671 1.00 29.25 ? 753 HOH A O 1 HETATM 7188 O O . HOH V 7 . ? -46.214 11.110 14.299 1.00 26.95 ? 754 HOH A O 1 HETATM 7189 O O . HOH V 7 . ? -40.233 33.095 7.564 1.00 29.63 ? 755 HOH A O 1 HETATM 7190 O O . HOH V 7 . ? -17.706 18.737 -12.453 1.00 46.58 ? 756 HOH A O 1 HETATM 7191 O O . HOH V 7 . ? -36.404 -2.916 -16.467 1.00 43.81 ? 757 HOH A O 1 HETATM 7192 O O . HOH V 7 . ? -19.212 22.299 -18.316 1.00 49.30 ? 758 HOH A O 1 HETATM 7193 O O . HOH V 7 . ? -63.608 22.035 8.342 1.00 41.09 ? 759 HOH A O 1 HETATM 7194 O O . HOH V 7 . ? -49.983 8.717 -20.984 1.00 24.48 ? 760 HOH A O 1 HETATM 7195 O O . HOH V 7 . ? -36.102 14.663 -5.895 1.00 22.44 ? 761 HOH A O 1 HETATM 7196 O O . HOH V 7 . ? -31.058 16.433 -10.972 1.00 29.16 ? 762 HOH A O 1 HETATM 7197 O O . HOH V 7 . ? -49.011 11.589 -2.574 1.00 26.89 ? 763 HOH A O 1 HETATM 7198 O O . HOH V 7 . ? -38.551 22.221 -12.597 1.00 24.55 ? 764 HOH A O 1 HETATM 7199 O O . HOH V 7 . ? -33.220 33.362 6.944 1.00 46.61 ? 765 HOH A O 1 HETATM 7200 O O . HOH V 7 . ? -58.175 10.574 -26.285 1.00 34.09 ? 766 HOH A O 1 HETATM 7201 O O . HOH V 7 . ? -65.833 8.163 -9.010 1.00 43.58 ? 767 HOH A O 1 HETATM 7202 O O . HOH V 7 . ? -40.565 22.717 -19.166 1.00 31.10 ? 768 HOH A O 1 HETATM 7203 O O . HOH V 7 . ? -54.074 11.222 15.709 1.00 36.34 ? 769 HOH A O 1 HETATM 7204 O O . HOH V 7 . ? -40.042 34.912 -4.407 1.00 29.14 ? 770 HOH A O 1 HETATM 7205 O O . HOH V 7 . ? -60.601 12.670 -24.915 1.00 34.51 ? 771 HOH A O 1 HETATM 7206 O O . HOH V 7 . ? -17.495 17.651 -6.351 1.00 39.10 ? 772 HOH A O 1 HETATM 7207 O O . HOH V 7 . ? -54.258 2.096 4.047 1.00 36.97 ? 773 HOH A O 1 HETATM 7208 O O . HOH V 7 . ? -53.278 16.632 -23.312 1.00 28.45 ? 774 HOH A O 1 HETATM 7209 O O . HOH V 7 . ? -53.342 23.427 10.822 1.00 35.04 ? 775 HOH A O 1 HETATM 7210 O O . HOH V 7 . ? -21.921 27.869 2.996 1.00 39.10 ? 776 HOH A O 1 HETATM 7211 O O . HOH V 7 . ? -39.274 32.172 -13.337 1.00 27.84 ? 777 HOH A O 1 HETATM 7212 O O . HOH V 7 . ? -56.837 27.621 9.892 1.00 41.29 ? 778 HOH A O 1 HETATM 7213 O O . HOH V 7 . ? -40.594 8.596 -25.572 1.00 26.57 ? 779 HOH A O 1 HETATM 7214 O O . HOH V 7 . ? -62.173 15.238 -20.598 1.00 34.91 ? 780 HOH A O 1 HETATM 7215 O O . HOH V 7 . ? -29.122 24.029 -26.433 1.00 44.41 ? 781 HOH A O 1 HETATM 7216 O O . HOH V 7 . ? -29.367 21.181 -26.682 1.00 46.59 ? 782 HOH A O 1 HETATM 7217 O O . HOH V 7 . ? -36.633 6.849 13.943 1.00 31.03 ? 783 HOH A O 1 HETATM 7218 O O . HOH V 7 . ? -51.811 35.075 -0.793 1.00 44.64 ? 784 HOH A O 1 HETATM 7219 O O . HOH V 7 . ? -54.894 29.560 8.978 1.00 35.47 ? 785 HOH A O 1 HETATM 7220 O O . HOH V 7 . ? -31.886 17.802 -15.513 1.00 24.29 ? 786 HOH A O 1 HETATM 7221 O O . HOH V 7 . ? -58.640 9.169 -34.462 1.00 41.69 ? 787 HOH A O 1 HETATM 7222 O O . HOH V 7 . ? -28.880 6.191 13.296 1.00 47.78 ? 788 HOH A O 1 HETATM 7223 O O . HOH V 7 . ? -27.901 25.379 -24.286 1.00 41.50 ? 789 HOH A O 1 HETATM 7224 O O . HOH V 7 . ? -29.976 6.542 -24.795 1.00 44.70 ? 790 HOH A O 1 HETATM 7225 O O . HOH V 7 . ? -42.912 16.365 -11.121 1.00 25.00 ? 791 HOH A O 1 HETATM 7226 O O . HOH V 7 . ? -53.406 10.350 -33.925 1.00 45.42 ? 792 HOH A O 1 HETATM 7227 O O . HOH V 7 . ? -40.356 34.392 -20.503 1.00 49.09 ? 793 HOH A O 1 HETATM 7228 O O . HOH V 7 . ? -35.648 -2.026 -27.953 1.00 42.98 ? 794 HOH A O 1 HETATM 7229 O O . HOH V 7 . ? -67.543 16.348 -4.779 1.00 39.16 ? 795 HOH A O 1 HETATM 7230 O O . HOH V 7 . ? -33.034 11.796 -26.211 1.00 43.40 ? 796 HOH A O 1 HETATM 7231 O O . HOH V 7 . ? -59.549 6.756 3.544 1.00 39.68 ? 797 HOH A O 1 HETATM 7232 O O . HOH V 7 . ? -18.304 20.036 -7.630 1.00 33.88 ? 798 HOH A O 1 HETATM 7233 O O . HOH V 7 . ? -36.600 9.327 -25.510 1.00 34.35 ? 799 HOH A O 1 HETATM 7234 O O . HOH V 7 . ? -36.632 4.292 14.798 1.00 31.21 ? 800 HOH A O 1 HETATM 7235 O O . HOH V 7 . ? -44.991 18.040 -19.796 1.00 32.26 ? 801 HOH A O 1 HETATM 7236 O O . HOH V 7 . ? -39.701 35.678 7.163 1.00 39.49 ? 802 HOH A O 1 HETATM 7237 O O . HOH V 7 . ? -35.822 9.443 13.766 1.00 49.47 ? 803 HOH A O 1 HETATM 7238 O O . HOH V 7 . ? -36.197 25.918 -19.863 1.00 30.90 ? 804 HOH A O 1 HETATM 7239 O O . HOH V 7 . ? -56.460 7.991 10.717 1.00 40.87 ? 805 HOH A O 1 HETATM 7240 O O . HOH V 7 . ? -55.774 3.390 -16.352 1.00 27.34 ? 806 HOH A O 1 HETATM 7241 O O . HOH V 7 . ? -17.506 11.772 -9.464 1.00 45.40 ? 807 HOH A O 1 HETATM 7242 O O . HOH V 7 . ? -62.445 17.577 0.802 1.00 28.57 ? 808 HOH A O 1 HETATM 7243 O O . HOH V 7 . ? -24.896 36.012 4.835 1.00 48.07 ? 809 HOH A O 1 HETATM 7244 O O . HOH V 7 . ? -44.412 24.187 -14.114 1.00 39.43 ? 810 HOH A O 1 HETATM 7245 O O . HOH V 7 . ? -32.188 12.098 16.887 1.00 50.48 ? 811 HOH A O 1 HETATM 7246 O O . HOH V 7 . ? -35.566 38.419 -1.850 1.00 32.73 ? 812 HOH A O 1 HETATM 7247 O O . HOH V 7 . ? -31.371 2.439 3.366 1.00 39.75 ? 813 HOH A O 1 HETATM 7248 O O . HOH V 7 . ? -59.945 3.030 -5.014 1.00 33.35 ? 814 HOH A O 1 HETATM 7249 O O . HOH V 7 . ? -52.275 34.130 -6.560 1.00 40.88 ? 815 HOH A O 1 HETATM 7250 O O . HOH V 7 . ? -56.567 19.615 -14.924 1.00 31.80 ? 816 HOH A O 1 HETATM 7251 O O . HOH V 7 . ? -38.956 13.394 -29.085 1.00 39.38 ? 817 HOH A O 1 HETATM 7252 O O . HOH V 7 . ? -33.004 16.886 -9.122 1.00 24.35 ? 818 HOH A O 1 HETATM 7253 O O . HOH V 7 . ? -64.323 7.432 -2.766 1.00 38.58 ? 819 HOH A O 1 HETATM 7254 O O . HOH V 7 . ? -41.346 -2.683 8.256 1.00 37.31 ? 820 HOH A O 1 HETATM 7255 O O . HOH V 7 . ? -49.777 -3.762 3.108 1.00 37.36 ? 821 HOH A O 1 HETATM 7256 O O . HOH V 7 . ? -46.049 26.430 -9.942 1.00 39.89 ? 822 HOH A O 1 HETATM 7257 O O . HOH V 7 . ? -25.897 7.524 -17.971 1.00 45.91 ? 823 HOH A O 1 HETATM 7258 O O . HOH V 7 . ? -34.399 28.071 -26.745 1.00 39.87 ? 824 HOH A O 1 HETATM 7259 O O . HOH V 7 . ? -47.267 9.605 -27.690 1.00 29.19 ? 825 HOH A O 1 HETATM 7260 O O . HOH V 7 . ? -46.968 16.143 12.510 1.00 24.66 ? 826 HOH A O 1 HETATM 7261 O O . HOH V 7 . ? -39.443 17.831 15.331 1.00 31.27 ? 827 HOH A O 1 HETATM 7262 O O . HOH V 7 . ? -34.503 2.744 -27.819 1.00 45.17 ? 828 HOH A O 1 HETATM 7263 O O . HOH V 7 . ? -44.259 21.088 16.070 1.00 38.63 ? 829 HOH A O 1 HETATM 7264 O O . HOH V 7 . ? -37.531 25.008 -22.048 1.00 34.00 ? 830 HOH A O 1 HETATM 7265 O O . HOH V 7 . ? -27.677 19.242 12.280 1.00 42.75 ? 831 HOH A O 1 HETATM 7266 O O . HOH V 7 . ? -37.234 -2.923 -24.519 1.00 39.28 ? 832 HOH A O 1 HETATM 7267 O O . HOH V 7 . ? -39.221 26.133 -8.673 1.00 25.83 ? 833 HOH A O 1 HETATM 7268 O O . HOH V 7 . ? -27.300 17.990 0.149 1.00 30.66 ? 834 HOH A O 1 HETATM 7269 O O . HOH V 7 . ? -60.729 19.010 -9.755 1.00 32.55 ? 835 HOH A O 1 HETATM 7270 O O . HOH V 7 . ? -21.586 8.017 -5.090 1.00 38.77 ? 836 HOH A O 1 HETATM 7271 O O . HOH V 7 . ? -42.609 37.339 2.740 1.00 34.23 ? 837 HOH A O 1 HETATM 7272 O O . HOH V 7 . ? -42.587 22.030 -21.759 1.00 39.51 ? 838 HOH A O 1 HETATM 7273 O O . HOH V 7 . ? -52.669 -5.014 -10.612 1.00 48.39 ? 839 HOH A O 1 HETATM 7274 O O . HOH V 7 . ? -52.246 -3.829 2.031 1.00 49.37 ? 840 HOH A O 1 HETATM 7275 O O . HOH V 7 . ? -56.180 -0.771 -23.945 1.00 38.40 ? 841 HOH A O 1 HETATM 7276 O O . HOH V 7 . ? -39.235 -1.248 -24.019 1.00 32.04 ? 842 HOH A O 1 HETATM 7277 O O . HOH V 7 . ? -33.993 24.810 -11.625 1.00 26.06 ? 843 HOH A O 1 HETATM 7278 O O . HOH V 7 . ? -49.041 10.753 -7.364 1.00 23.72 ? 844 HOH A O 1 HETATM 7279 O O . HOH V 7 . ? -28.390 20.082 1.360 1.00 27.75 ? 845 HOH A O 1 HETATM 7280 O O . HOH V 7 . ? -44.193 4.112 -30.237 1.00 33.50 ? 846 HOH A O 1 HETATM 7281 O O . HOH V 7 . ? -31.403 18.293 -25.526 1.00 37.92 ? 847 HOH A O 1 HETATM 7282 O O . HOH V 7 . ? -22.970 -6.788 29.447 1.00 41.60 ? 848 HOH A O 1 HETATM 7283 O O . HOH V 7 . ? -44.974 -4.466 7.548 1.00 52.72 ? 849 HOH A O 1 HETATM 7284 O O . HOH V 7 . ? -17.930 31.355 -20.429 1.00 52.25 ? 850 HOH A O 1 HETATM 7285 O O . HOH V 7 . ? -32.881 -1.465 -15.955 1.00 52.46 ? 851 HOH A O 1 HETATM 7286 O O . HOH V 7 . ? -18.959 15.382 -16.343 1.00 43.10 ? 852 HOH A O 1 HETATM 7287 O O . HOH V 7 . ? -19.042 -7.914 29.807 1.00 51.33 ? 853 HOH A O 1 HETATM 7288 O O . HOH V 7 . ? -24.213 10.828 -18.170 1.00 42.27 ? 854 HOH A O 1 HETATM 7289 O O . HOH V 7 . ? -19.457 29.294 2.441 1.00 34.36 ? 855 HOH A O 1 HETATM 7290 O O . HOH V 7 . ? -56.349 16.223 -32.299 1.00 39.67 ? 856 HOH A O 1 HETATM 7291 O O . HOH V 7 . ? -52.171 -3.654 -22.837 1.00 31.65 ? 857 HOH A O 1 HETATM 7292 O O . HOH V 7 . ? -34.578 15.759 -23.718 1.00 29.74 ? 858 HOH A O 1 HETATM 7293 O O . HOH V 7 . ? -43.404 11.062 -28.318 1.00 33.30 ? 859 HOH A O 1 HETATM 7294 O O . HOH V 7 . ? -58.770 16.938 -8.761 1.00 36.61 ? 860 HOH A O 1 HETATM 7295 O O . HOH V 7 . ? -40.033 36.982 3.930 1.00 43.82 ? 861 HOH A O 1 HETATM 7296 O O . HOH V 7 . ? -47.645 -3.060 -15.984 1.00 32.04 ? 862 HOH A O 1 HETATM 7297 O O . HOH V 7 . ? -26.936 32.264 -21.709 1.00 44.07 ? 863 HOH A O 1 HETATM 7298 O O . HOH V 7 . ? -31.591 34.024 -26.876 1.00 39.02 ? 864 HOH A O 1 HETATM 7299 O O . HOH V 7 . ? -63.628 11.642 -17.605 1.00 47.44 ? 865 HOH A O 1 HETATM 7300 O O . HOH V 7 . ? -49.874 27.685 -12.032 1.00 40.09 ? 866 HOH A O 1 HETATM 7301 O O . HOH V 7 . ? -30.421 30.850 -3.696 1.00 29.24 ? 867 HOH A O 1 HETATM 7302 O O . HOH V 7 . ? -53.530 31.474 10.722 1.00 38.39 ? 868 HOH A O 1 HETATM 7303 O O . HOH V 7 . ? -63.374 21.651 4.380 1.00 46.60 ? 869 HOH A O 1 HETATM 7304 O O . HOH V 7 . ? -28.911 -2.103 -3.271 1.00 50.84 ? 870 HOH A O 1 HETATM 7305 O O . HOH V 7 . ? -55.000 14.249 -35.112 1.00 51.76 ? 871 HOH A O 1 HETATM 7306 O O . HOH V 7 . ? -42.350 33.910 -18.789 1.00 44.09 ? 872 HOH A O 1 HETATM 7307 O O . HOH V 7 . ? -55.178 3.806 -31.669 1.00 51.65 ? 873 HOH A O 1 HETATM 7308 O O . HOH V 7 . ? -25.472 24.514 5.281 1.00 46.66 ? 874 HOH A O 1 HETATM 7309 O O . HOH V 7 . ? -70.775 14.644 -7.235 1.00 55.77 ? 875 HOH A O 1 HETATM 7310 O O . HOH V 7 . ? -59.887 22.304 11.298 1.00 34.37 ? 876 HOH A O 1 HETATM 7311 O O . HOH V 7 . ? -39.400 -2.450 -16.954 1.00 28.09 ? 877 HOH A O 1 HETATM 7312 O O . HOH V 7 . ? -47.145 37.230 -3.085 1.00 34.43 ? 878 HOH A O 1 HETATM 7313 O O . HOH V 7 . ? -42.677 10.508 -23.194 1.00 30.73 ? 879 HOH A O 1 HETATM 7314 O O . HOH V 7 . ? -42.426 22.630 -24.465 1.00 42.38 ? 880 HOH A O 1 HETATM 7315 O O . HOH V 7 . ? -29.318 35.587 3.442 1.00 44.80 ? 881 HOH A O 1 HETATM 7316 O O . HOH V 7 . ? -52.721 -3.866 -5.801 1.00 34.78 ? 882 HOH A O 1 HETATM 7317 O O . HOH V 7 . ? -53.785 0.402 -18.140 1.00 28.99 ? 883 HOH A O 1 HETATM 7318 O O . HOH V 7 . ? -53.384 25.068 13.260 1.00 47.75 ? 884 HOH A O 1 HETATM 7319 O O . HOH V 7 . ? -38.447 10.811 -11.124 1.00 26.51 ? 885 HOH A O 1 HETATM 7320 O O . HOH V 7 . ? -38.057 16.325 17.145 1.00 31.03 ? 886 HOH A O 1 HETATM 7321 O O . HOH V 7 . ? -37.332 29.386 -21.574 1.00 38.51 ? 887 HOH A O 1 HETATM 7322 O O . HOH V 7 . ? -46.227 35.636 -6.866 1.00 34.42 ? 888 HOH A O 1 HETATM 7323 O O . HOH V 7 . ? -33.627 18.338 -24.000 1.00 37.94 ? 889 HOH A O 1 HETATM 7324 O O . HOH V 7 . ? -59.984 27.101 3.706 1.00 35.01 ? 890 HOH A O 1 HETATM 7325 O O . HOH V 7 . ? -50.162 -3.542 -6.095 1.00 47.13 ? 891 HOH A O 1 HETATM 7326 O O . HOH V 7 . ? -60.189 -2.964 -9.211 1.00 58.21 ? 892 HOH A O 1 HETATM 7327 O O . HOH V 7 . ? -21.673 22.005 1.286 1.00 29.93 ? 893 HOH A O 1 HETATM 7328 O O . HOH V 7 . ? -41.947 -4.282 1.343 1.00 34.26 ? 894 HOH A O 1 HETATM 7329 O O . HOH V 7 . ? -43.782 -4.640 -15.337 1.00 47.18 ? 895 HOH A O 1 HETATM 7330 O O . HOH V 7 . ? -49.670 36.667 -1.388 1.00 57.16 ? 896 HOH A O 1 HETATM 7331 O O . HOH V 7 . ? -37.454 -0.516 5.757 1.00 45.60 ? 897 HOH A O 1 HETATM 7332 O O . HOH V 7 . ? -30.872 -0.002 -15.631 1.00 40.92 ? 898 HOH A O 1 HETATM 7333 O O . HOH V 7 . ? -54.366 21.512 -14.198 1.00 36.31 ? 899 HOH A O 1 HETATM 7334 O O . HOH V 7 . ? -51.515 23.556 -25.129 1.00 51.52 ? 900 HOH A O 1 HETATM 7335 O O . HOH V 7 . ? -59.839 2.176 -7.878 1.00 39.02 ? 901 HOH A O 1 HETATM 7336 O O . HOH V 7 . ? -39.974 8.608 21.355 1.00 57.30 ? 902 HOH A O 1 HETATM 7337 O O . HOH V 7 . ? -46.777 -0.481 3.676 1.00 39.54 ? 903 HOH A O 1 HETATM 7338 O O . HOH V 7 . ? -61.965 22.825 -15.134 1.00 49.59 ? 904 HOH A O 1 HETATM 7339 O O . HOH V 7 . ? -46.643 25.721 -11.978 1.00 46.92 ? 905 HOH A O 1 HETATM 7340 O O . HOH V 7 . ? -55.525 10.111 -35.318 1.00 53.04 ? 906 HOH A O 1 HETATM 7341 O O . HOH V 7 . ? -17.743 22.393 -21.506 1.00 47.85 ? 907 HOH A O 1 HETATM 7342 O O . HOH V 7 . ? -38.758 9.984 -27.157 1.00 46.01 ? 908 HOH A O 1 HETATM 7343 O O . HOH V 7 . ? -67.564 18.230 -2.267 1.00 54.85 ? 909 HOH A O 1 HETATM 7344 O O . HOH V 7 . ? -37.918 2.136 -33.046 1.00 36.34 ? 910 HOH A O 1 HETATM 7345 O O . HOH V 7 . ? -28.322 10.148 13.805 1.00 51.36 ? 911 HOH A O 1 HETATM 7346 O O . HOH V 7 . ? -43.625 24.486 -25.377 1.00 55.68 ? 912 HOH A O 1 HETATM 7347 O O . HOH V 7 . ? -55.895 15.364 17.840 1.00 53.70 ? 913 HOH A O 1 HETATM 7348 O O . HOH V 7 . ? -46.211 22.747 16.790 1.00 46.39 ? 914 HOH A O 1 HETATM 7349 O O . HOH V 7 . ? -21.023 36.267 3.738 1.00 45.92 ? 915 HOH A O 1 HETATM 7350 O O . HOH V 7 . ? -48.399 19.019 -18.716 1.00 40.72 ? 916 HOH A O 1 HETATM 7351 O O . HOH V 7 . ? -58.143 22.681 -14.758 1.00 49.24 ? 917 HOH A O 1 HETATM 7352 O O . HOH V 7 . ? -29.375 33.417 -3.170 1.00 49.20 ? 918 HOH A O 1 HETATM 7353 O O . HOH V 7 . ? -48.390 -6.252 -18.837 1.00 43.31 ? 919 HOH A O 1 HETATM 7354 O O . HOH V 7 . ? -37.589 6.585 18.207 1.00 45.67 ? 920 HOH A O 1 HETATM 7355 O O . HOH V 7 . ? -47.626 -0.651 -31.171 1.00 51.72 ? 921 HOH A O 1 HETATM 7356 O O . HOH V 7 . ? -49.725 0.747 -29.864 1.00 47.70 ? 922 HOH A O 1 HETATM 7357 O O . HOH V 7 . ? -39.059 1.092 -22.823 1.00 30.23 ? 923 HOH A O 1 HETATM 7358 O O . HOH V 7 . ? -32.280 3.681 -26.512 1.00 43.96 ? 924 HOH A O 1 HETATM 7359 O O . HOH V 7 . ? -52.329 20.909 11.408 1.00 34.54 ? 925 HOH A O 1 HETATM 7360 O O . HOH V 7 . ? -48.947 25.735 14.433 1.00 44.46 ? 926 HOH A O 1 HETATM 7361 O O . HOH V 7 . ? -20.516 16.037 5.398 1.00 52.98 ? 927 HOH A O 1 HETATM 7362 O O . HOH V 7 . ? -24.967 33.425 -14.398 1.00 50.14 ? 928 HOH A O 1 HETATM 7363 O O . HOH V 7 . ? -50.442 34.270 11.679 1.00 44.12 ? 929 HOH A O 1 HETATM 7364 O O . HOH V 7 . ? -46.079 19.338 -16.995 1.00 44.70 ? 930 HOH A O 1 HETATM 7365 O O . HOH V 7 . ? -45.307 21.655 -18.604 1.00 47.31 ? 931 HOH A O 1 HETATM 7366 O O . HOH V 7 . ? -30.508 2.581 6.063 1.00 52.95 ? 932 HOH A O 1 HETATM 7367 O O . HOH V 7 . ? -39.851 15.137 18.789 1.00 48.03 ? 933 HOH A O 1 HETATM 7368 O O . HOH V 7 . ? -41.592 -7.279 0.924 1.00 56.70 ? 934 HOH A O 1 HETATM 7369 O O . HOH V 7 . ? -60.555 31.423 5.643 1.00 45.49 ? 935 HOH A O 1 HETATM 7370 O O . HOH V 7 . ? -26.983 12.974 12.079 1.00 51.15 ? 936 HOH A O 1 HETATM 7371 O O . HOH V 7 . ? -61.169 3.032 -11.873 1.00 53.24 ? 937 HOH A O 1 HETATM 7372 O O . HOH V 7 . ? -19.189 35.394 1.036 1.00 61.29 ? 938 HOH A O 1 HETATM 7373 O O . HOH V 7 . ? -43.076 9.581 -25.897 1.00 33.93 ? 939 HOH A O 1 HETATM 7374 O O . HOH V 7 . ? -64.075 15.256 7.257 1.00 48.49 ? 940 HOH A O 1 HETATM 7375 O O . HOH V 7 . ? -26.414 21.608 13.663 1.00 55.65 ? 941 HOH A O 1 HETATM 7376 O O . HOH V 7 . ? -51.844 31.813 -10.264 1.00 43.57 ? 942 HOH A O 1 HETATM 7377 O O . HOH V 7 . ? -47.514 32.515 -7.856 1.00 44.55 ? 943 HOH A O 1 HETATM 7378 O O . HOH V 7 . ? -26.973 20.299 3.692 1.00 36.42 ? 944 HOH A O 1 HETATM 7379 O O . HOH V 7 . ? -25.353 16.207 -23.812 1.00 45.12 ? 945 HOH A O 1 HETATM 7380 O O . HOH V 7 . ? -57.138 14.694 15.498 1.00 51.02 ? 946 HOH A O 1 HETATM 7381 O O . HOH V 7 . ? -43.227 -7.195 -13.535 1.00 56.89 ? 947 HOH A O 1 HETATM 7382 O O . HOH V 7 . ? -56.846 32.675 8.417 1.00 48.57 ? 948 HOH A O 1 HETATM 7383 O O . HOH V 7 . ? -52.702 0.912 9.889 1.00 42.07 ? 949 HOH A O 1 HETATM 7384 O O . HOH V 7 . ? -36.723 31.530 -23.184 1.00 43.60 ? 950 HOH A O 1 HETATM 7385 O O . HOH V 7 . ? -62.684 5.616 -2.181 1.00 48.89 ? 951 HOH A O 1 HETATM 7386 O O . HOH V 7 . ? -30.963 36.826 -23.141 1.00 54.25 ? 952 HOH A O 1 HETATM 7387 O O . HOH V 7 . ? -26.478 34.575 6.692 1.00 49.70 ? 953 HOH A O 1 HETATM 7388 O O . HOH V 7 . ? -45.892 10.736 -29.620 1.00 33.94 ? 954 HOH A O 1 HETATM 7389 O O . HOH V 7 . ? -51.375 1.489 -32.605 1.00 45.61 ? 955 HOH A O 1 HETATM 7390 O O . HOH V 7 . ? -58.794 17.741 12.512 1.00 44.58 ? 956 HOH A O 1 HETATM 7391 O O . HOH V 7 . ? -45.224 7.984 -26.910 1.00 39.27 ? 957 HOH A O 1 HETATM 7392 O O . HOH V 7 . ? -41.222 11.211 -29.648 1.00 49.96 ? 958 HOH A O 1 HETATM 7393 O O . HOH V 7 . ? -23.130 23.201 2.912 1.00 52.27 ? 959 HOH A O 1 HETATM 7394 O O . HOH V 7 . ? -43.072 22.979 -18.055 1.00 31.55 ? 960 HOH A O 1 HETATM 7395 O O . HOH V 7 . ? -31.783 1.272 -22.882 1.00 54.71 ? 961 HOH A O 1 HETATM 7396 O O . HOH V 7 . ? -30.852 33.131 8.073 1.00 50.98 ? 962 HOH A O 1 HETATM 7397 O O . HOH V 7 . ? -38.674 -6.105 2.471 1.00 52.36 ? 963 HOH A O 1 HETATM 7398 O O . HOH V 7 . ? -59.365 4.822 -9.371 1.00 41.09 ? 964 HOH A O 1 HETATM 7399 O O . HOH V 7 . ? -53.576 -1.330 -23.250 1.00 49.53 ? 965 HOH A O 1 HETATM 7400 O O . HOH V 7 . ? -49.198 -1.189 4.523 1.00 43.99 ? 966 HOH A O 1 HETATM 7401 O O . HOH V 7 . ? -39.390 -3.387 2.157 1.00 40.61 ? 967 HOH A O 1 HETATM 7402 O O . HOH V 7 . ? -45.610 39.539 -3.185 1.00 63.67 ? 968 HOH A O 1 HETATM 7403 O O . HOH V 7 . ? -65.304 19.832 8.419 1.00 49.82 ? 969 HOH A O 1 HETATM 7404 O O . HOH V 7 . ? -34.844 7.617 17.136 1.00 60.71 ? 970 HOH A O 1 HETATM 7405 O O . HOH V 7 . ? -61.494 6.094 -10.671 1.00 50.51 ? 971 HOH A O 1 HETATM 7406 O O . HOH V 7 . ? -44.723 36.842 -8.557 1.00 52.53 ? 972 HOH A O 1 HETATM 7407 O O . HOH V 7 . ? -64.610 13.069 6.721 1.00 47.34 ? 973 HOH A O 1 HETATM 7408 O O . HOH V 7 . ? -19.810 -12.480 23.609 1.00 50.17 ? 974 HOH A O 1 HETATM 7409 O O . HOH V 7 . ? -41.978 17.913 16.172 1.00 33.63 ? 975 HOH A O 1 HETATM 7410 O O . HOH V 7 . ? -59.425 24.270 -12.351 1.00 39.12 ? 976 HOH A O 1 HETATM 7411 O O . HOH V 7 . ? -26.048 17.816 4.105 1.00 40.72 ? 977 HOH A O 1 HETATM 7412 O O . HOH V 7 . ? -48.303 36.761 -5.584 1.00 52.15 ? 978 HOH A O 1 HETATM 7413 O O . HOH V 7 . ? -38.189 24.004 -10.513 1.00 26.45 ? 979 HOH A O 1 HETATM 7414 O O . HOH V 7 . ? -30.289 2.936 -21.984 1.00 47.65 ? 980 HOH A O 1 HETATM 7415 O O . HOH V 7 . ? -21.132 15.592 -22.490 1.00 48.01 ? 981 HOH A O 1 HETATM 7416 O O . HOH V 7 . ? -14.364 23.740 -12.956 1.00 53.25 ? 982 HOH A O 1 HETATM 7417 O O . HOH V 7 . ? -38.654 -5.123 -13.915 1.00 45.59 ? 983 HOH A O 1 HETATM 7418 O O . HOH V 7 . ? -62.661 23.035 11.160 1.00 52.91 ? 984 HOH A O 1 HETATM 7419 O O . HOH V 7 . ? -49.296 29.659 -10.552 1.00 44.80 ? 985 HOH A O 1 HETATM 7420 O O . HOH V 7 . ? -57.985 23.729 12.231 1.00 49.91 ? 986 HOH A O 1 HETATM 7421 O O . HOH V 7 . ? -49.578 21.190 15.883 1.00 47.82 ? 987 HOH A O 1 HETATM 7422 O O . HOH V 7 . ? -37.769 27.382 -23.346 1.00 38.93 ? 988 HOH A O 1 HETATM 7423 O O . HOH V 7 . ? -59.038 -0.264 -1.972 1.00 42.71 ? 989 HOH A O 1 HETATM 7424 O O . HOH V 7 . ? -69.220 16.785 -6.993 1.00 52.37 ? 990 HOH A O 1 HETATM 7425 O O . HOH V 7 . ? -65.123 11.204 2.573 1.00 47.95 ? 991 HOH A O 1 HETATM 7426 O O . HOH V 7 . ? -60.684 2.718 1.452 1.00 40.10 ? 992 HOH A O 1 HETATM 7427 O O . HOH V 7 . ? -46.383 35.022 -11.061 1.00 44.89 ? 993 HOH A O 1 HETATM 7428 O O . HOH V 7 . ? -42.211 39.285 1.258 1.00 50.46 ? 994 HOH A O 1 HETATM 7429 O O . HOH V 7 . ? -24.218 21.095 4.061 1.00 43.49 ? 995 HOH A O 1 HETATM 7430 O O . HOH V 7 . ? -62.076 3.141 -3.393 1.00 40.22 ? 996 HOH A O 1 HETATM 7431 O O . HOH V 7 . ? -50.054 34.002 -8.256 1.00 49.66 ? 997 HOH A O 1 HETATM 7432 O O . HOH V 7 . ? -40.033 24.015 -21.630 1.00 33.22 ? 998 HOH A O 1 HETATM 7433 O O . HOH V 7 . ? -28.980 0.091 -13.636 1.00 50.23 ? 999 HOH A O 1 HETATM 7434 O O . HOH V 7 . ? -69.200 19.961 -10.511 1.00 48.04 ? 1000 HOH A O 1 HETATM 7435 O O . HOH V 7 . ? -63.293 25.505 -3.489 1.00 47.36 ? 1001 HOH A O 1 HETATM 7436 O O . HOH V 7 . ? -59.760 20.162 13.179 1.00 43.05 ? 1002 HOH A O 1 HETATM 7437 O O . HOH V 7 . ? -66.587 22.838 -3.600 1.00 58.42 ? 1003 HOH A O 1 HETATM 7438 O O . HOH V 7 . ? -42.002 26.167 -21.866 1.00 50.20 ? 1004 HOH A O 1 HETATM 7439 O O . HOH V 7 . ? -66.947 23.438 -5.689 1.00 60.85 ? 1005 HOH A O 1 HETATM 7440 O O . HOH V 7 . ? -20.600 6.488 -1.350 1.00 46.43 ? 1006 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 155 N N . ALA A 21 ? 1.2816 1.2805 1.2790 0.2416 0.0578 -0.0215 33 ALA A N 156 C CA . ALA A 21 ? 1.0606 1.0620 1.0541 0.2383 0.0566 -0.0230 33 ALA A CA 157 C C . ALA A 21 ? 0.9216 0.9302 0.9038 0.2394 0.0513 -0.0265 33 ALA A C 158 O O . ALA A 21 ? 0.9048 0.9220 0.8865 0.2658 0.0530 -0.0191 33 ALA A O 165 N N . VAL A 22 ? 0.8033 0.8060 0.7653 0.2149 0.0388 -0.0374 34 VAL A N 166 C CA . VAL A 22 ? 0.6994 0.6911 0.6262 0.1776 0.0199 -0.0458 34 VAL A CA 167 C C . VAL A 22 ? 0.6052 0.5774 0.5079 0.1727 -0.0130 -0.0367 34 VAL A C 168 O O . VAL A 22 ? 0.5865 0.5535 0.5178 0.1660 0.0308 -0.0373 34 VAL A O 169 C CB . VAL A 22 ? 0.6924 0.6897 0.6404 0.1641 0.0316 -0.0547 34 VAL A CB 170 C CG1 . VAL A 22 ? 0.6783 0.6848 0.6206 0.1724 0.0407 -0.0493 34 VAL A CG1 171 C CG2 . VAL A 22 ? 0.6983 0.6886 0.6585 0.1508 0.0352 -0.0682 34 VAL A CG2 181 N N . GLY A 23 ? 0.5260 0.4876 0.4134 0.1510 -0.0667 -0.0306 35 GLY A N 182 C CA . GLY A 23 ? 0.4702 0.4316 0.3589 0.1337 -0.0789 -0.0106 35 GLY A CA 183 C C . GLY A 23 ? 0.4285 0.4280 0.3421 0.1122 -0.0523 -0.0297 35 GLY A C 184 O O . GLY A 23 ? 0.3818 0.4175 0.3572 0.0934 -0.0312 -0.0150 35 GLY A O 188 N N . GLN A 24 ? 0.4376 0.4267 0.3316 0.1035 -0.0377 -0.0506 36 GLN A N 189 C CA . GLN A 24 ? 0.4277 0.3998 0.3010 0.0880 -0.0536 -0.0684 36 GLN A CA 190 C C . GLN A 24 ? 0.4189 0.3562 0.2913 0.0636 -0.0269 -0.0377 36 GLN A C 191 O O . GLN A 24 ? 0.4315 0.3587 0.3185 0.0629 -0.0215 -0.0274 36 GLN A O 192 C CB . GLN A 24 ? 0.4370 0.4193 0.3322 0.0866 -0.0324 -0.0860 36 GLN A CB 193 C CG . GLN A 24 ? 0.4471 0.4347 0.4011 0.0645 -0.0139 -0.0762 36 GLN A CG 194 C CD . GLN A 24 ? 0.4620 0.4449 0.4484 0.0518 -0.0032 -0.0630 36 GLN A CD 195 O OE1 . GLN A 24 ? 0.5054 0.4773 0.4910 0.0427 -0.0068 -0.0821 36 GLN A OE1 196 N NE2 . GLN A 24 ? 0.4559 0.4417 0.4485 0.0560 0.0029 -0.0576 36 GLN A NE2 205 N N . PHE A 25 ? 0.3945 0.3474 0.3076 0.0396 -0.0571 -0.0279 37 PHE A N 206 C CA . PHE A 25 ? 0.3718 0.2936 0.2898 0.0171 -0.0358 -0.0244 37 PHE A CA 207 C C . PHE A 25 ? 0.3568 0.2816 0.2956 0.0141 -0.0444 -0.0208 37 PHE A C 208 O O . PHE A 25 ? 0.3616 0.2839 0.3221 0.0224 -0.0506 -0.0166 37 PHE A O 209 C CB . PHE A 25 ? 0.3692 0.2687 0.2707 0.0354 -0.0237 -0.0044 37 PHE A CB 210 C CG . PHE A 25 ? 0.3752 0.2582 0.2875 0.0581 -0.0293 -0.0046 37 PHE A CG 211 C CD1 . PHE A 25 ? 0.3663 0.2708 0.2952 0.0597 0.0035 -0.0244 37 PHE A CD1 212 C CD2 . PHE A 25 ? 0.3941 0.2696 0.3063 0.0698 -0.0323 -0.0219 37 PHE A CD2 213 C CE1 . PHE A 25 ? 0.3879 0.2910 0.3054 0.0687 -0.0061 -0.0154 37 PHE A CE1 214 C CE2 . PHE A 25 ? 0.3915 0.2932 0.3168 0.0574 -0.0384 -0.0300 37 PHE A CE2 215 C CZ . PHE A 25 ? 0.4076 0.2917 0.3317 0.0685 0.0001 -0.0158 37 PHE A CZ 225 N N . TRP A 26 ? 0.3682 0.2770 0.3099 0.0099 -0.0478 -0.0289 38 TRP A N 226 C CA . TRP A 26 ? 0.3576 0.2668 0.3133 0.0466 -0.0231 -0.0412 38 TRP A CA 227 C C . TRP A 26 ? 0.3478 0.2539 0.2747 0.0535 -0.0230 -0.0424 38 TRP A C 228 O O . TRP A 26 ? 0.3554 0.2725 0.2814 0.0275 -0.0070 -0.0212 38 TRP A O 229 C CB . TRP A 26 ? 0.3625 0.2489 0.3164 0.0366 -0.0475 -0.0341 38 TRP A CB 230 C CG . TRP A 26 ? 0.3764 0.2630 0.3496 0.0511 -0.0423 -0.0160 38 TRP A CG 231 C CD1 . TRP A 26 ? 0.3816 0.2510 0.3670 0.0452 -0.0463 -0.0324 38 TRP A CD1 232 C CD2 . TRP A 26 ? 0.3896 0.2777 0.3660 0.0619 -0.0390 -0.0394 38 TRP A CD2 233 N NE1 . TRP A 26 ? 0.3962 0.2835 0.3974 0.0460 -0.0367 -0.0517 38 TRP A NE1 234 C CE2 . TRP A 26 ? 0.3962 0.2860 0.3738 0.0651 -0.0234 -0.0627 38 TRP A CE2 235 C CE3 . TRP A 26 ? 0.3932 0.2816 0.3602 0.0615 -0.0200 -0.0535 38 TRP A CE3 236 C CZ2 . TRP A 26 ? 0.4044 0.2884 0.3794 0.0578 -0.0338 -0.0940 38 TRP A CZ2 237 C CZ3 . TRP A 26 ? 0.4024 0.3004 0.4125 0.0601 -0.0067 -0.0324 38 TRP A CZ3 238 C CH2 . TRP A 26 ? 0.4116 0.2785 0.4023 0.0530 -0.0073 -0.0701 38 TRP A CH2 249 N N . HIS A 27 ? 0.3245 0.2317 0.2910 0.0712 -0.0157 -0.0129 39 HIS A N 250 C CA . HIS A 27 ? 0.3215 0.2341 0.2831 0.0704 -0.0062 -0.0411 39 HIS A CA 251 C C . HIS A 27 ? 0.3176 0.2418 0.2627 0.0670 -0.0012 -0.0389 39 HIS A C 252 O O . HIS A 27 ? 0.3239 0.2699 0.2700 0.0456 -0.0113 -0.0396 39 HIS A O 253 C CB . HIS A 27 ? 0.3217 0.2287 0.2783 0.0298 0.0133 -0.0423 39 HIS A CB 254 C CG . HIS A 27 ? 0.3112 0.2250 0.2790 0.0111 0.0199 -0.0246 39 HIS A CG 255 N ND1 . HIS A 27 ? 0.3234 0.2472 0.2966 0.0101 0.0151 -0.0352 39 HIS A ND1 256 C CD2 . HIS A 27 ? 0.3259 0.2264 0.2708 0.0005 0.0289 0.0020 39 HIS A CD2 257 C CE1 . HIS A 27 ? 0.3185 0.2346 0.2854 -0.0134 0.0145 -0.0037 39 HIS A CE1 258 N NE2 . HIS A 27 ? 0.3318 0.2190 0.2965 -0.0150 0.0114 -0.0010 39 HIS A NE2 266 N N . VAL A 28 ? 0.3034 0.2344 0.2643 0.0369 -0.0302 -0.0224 40 VAL A N 267 C CA . VAL A 28 ? 0.3181 0.2564 0.2901 0.0238 -0.0264 -0.0328 40 VAL A CA 268 C C . VAL A 28 ? 0.3319 0.2575 0.2848 0.0186 -0.0139 -0.0202 40 VAL A C 269 O O . VAL A 28 ? 0.3435 0.2722 0.2699 0.0215 -0.0015 -0.0126 40 VAL A O 270 C CB . VAL A 28 ? 0.3352 0.2713 0.3270 -0.0038 -0.0232 -0.0382 40 VAL A CB 271 C CG1 . VAL A 28 ? 0.3448 0.2635 0.3755 -0.0337 -0.0145 -0.0348 40 VAL A CG1 272 C CG2 . VAL A 28 ? 0.3468 0.3102 0.3762 -0.0253 -0.0307 -0.0383 40 VAL A CG2 282 N N . THR A 29 ? 0.3379 0.2467 0.2536 0.0287 -0.0380 -0.0042 41 THR A N 283 C CA . THR A 29 ? 0.3253 0.2360 0.2630 0.0258 -0.0163 -0.0212 41 THR A CA 284 C C . THR A 29 ? 0.3279 0.2394 0.2537 0.0144 -0.0102 -0.0126 41 THR A C 285 O O . THR A 29 ? 0.3324 0.2655 0.2478 0.0112 -0.0248 -0.0296 41 THR A O 286 C CB . THR A 29 ? 0.3376 0.2497 0.2955 -0.0055 -0.0178 -0.0210 41 THR A CB 287 O OG1 . THR A 29 ? 0.3311 0.2639 0.2842 -0.0043 0.0100 -0.0179 41 THR A OG1 288 C CG2 . THR A 29 ? 0.3650 0.2310 0.3114 -0.0295 -0.0555 -0.0189 41 THR A CG2 296 N N . ASP A 30 ? 0.3314 0.2388 0.2502 -0.0084 -0.0145 0.0067 42 ASP A N 297 C CA . ASP A 30 ? 0.3270 0.2400 0.2357 -0.0143 -0.0147 -0.0103 42 ASP A CA 298 C C . ASP A 30 ? 0.3503 0.2378 0.2667 0.0023 -0.0270 -0.0035 42 ASP A C 299 O O . ASP A 30 ? 0.3598 0.2455 0.2622 -0.0223 -0.0014 -0.0163 42 ASP A O 300 C CB . ASP A 30 ? 0.3449 0.2454 0.2762 0.0143 -0.0218 -0.0193 42 ASP A CB 301 C CG . ASP A 30 ? 0.3319 0.2493 0.2684 0.0120 -0.0295 -0.0350 42 ASP A CG 302 O OD1 . ASP A 30 ? 0.3016 0.2731 0.2904 0.0149 -0.0189 -0.0580 42 ASP A OD1 303 O OD2 . ASP A 30 ? 0.3478 0.2222 0.2798 -0.0039 -0.0247 -0.0268 42 ASP A OD2 308 N N . LEU A 31 ? 0.3460 0.2259 0.2502 -0.0037 -0.0128 0.0070 43 LEU A N 309 C CA . LEU A 31 ? 0.3561 0.2096 0.2984 -0.0005 -0.0344 0.0065 43 LEU A CA 310 C C . LEU A 31 ? 0.3372 0.2186 0.3174 -0.0016 -0.0387 -0.0072 43 LEU A C 311 O O . LEU A 31 ? 0.3267 0.2413 0.3197 -0.0170 -0.0360 -0.0253 43 LEU A O 312 C CB . LEU A 31 ? 0.3579 0.2021 0.3006 0.0066 -0.0324 0.0092 43 LEU A CB 313 C CG . LEU A 31 ? 0.3740 0.2389 0.3065 0.0246 -0.0292 0.0069 43 LEU A CG 314 C CD1 . LEU A 31 ? 0.3600 0.2657 0.3563 0.0077 -0.0232 -0.0203 43 LEU A CD1 315 C CD2 . LEU A 31 ? 0.4267 0.2700 0.2993 0.0343 -0.0160 0.0171 43 LEU A CD2 327 N N . HIS A 32 ? 0.3363 0.2211 0.3213 0.0057 -0.0472 -0.0100 44 HIS A N 328 C CA . HIS A 32 ? 0.3230 0.2010 0.2803 -0.0059 -0.0543 0.0021 44 HIS A CA 329 C C . HIS A 32 ? 0.3557 0.2528 0.3117 -0.0031 -0.0506 -0.0019 44 HIS A C 330 O O . HIS A 32 ? 0.3779 0.2669 0.2982 -0.0136 -0.0311 0.0079 44 HIS A O 331 C CB . HIS A 32 ? 0.3525 0.2299 0.2982 -0.0038 -0.0352 -0.0034 44 HIS A CB 332 C CG . HIS A 32 ? 0.3367 0.2212 0.2900 0.0157 -0.0366 -0.0166 44 HIS A CG 333 N ND1 . HIS A 32 ? 0.3174 0.2418 0.2832 0.0327 -0.0324 -0.0256 44 HIS A ND1 334 C CD2 . HIS A 32 ? 0.3176 0.2390 0.2885 0.0317 -0.0656 -0.0045 44 HIS A CD2 335 C CE1 . HIS A 32 ? 0.3009 0.2448 0.3041 0.0532 -0.0566 -0.0071 44 HIS A CE1 336 N NE2 . HIS A 32 ? 0.3034 0.2247 0.3052 0.0340 -0.0547 0.0101 44 HIS A NE2 344 N N . LEU A 33 ? 0.3335 0.2504 0.3028 -0.0124 -0.0436 -0.0067 45 LEU A N 345 C CA . LEU A 33 ? 0.3383 0.2755 0.3078 0.0049 -0.0451 -0.0247 45 LEU A CA 346 C C . LEU A 33 ? 0.3454 0.2944 0.3127 0.0121 -0.0363 -0.0360 45 LEU A C 347 O O . LEU A 33 ? 0.3424 0.2951 0.3212 0.0052 -0.0274 -0.0451 45 LEU A O 348 C CB . LEU A 33 ? 0.3433 0.2691 0.3407 0.0010 -0.0322 -0.0181 45 LEU A CB 349 C CG . LEU A 33 ? 0.3790 0.2836 0.3404 -0.0122 -0.0151 -0.0393 45 LEU A CG 350 C CD1 . LEU A 33 ? 0.3809 0.2833 0.3443 -0.0006 0.0147 -0.0366 45 LEU A CD1 351 C CD2 . LEU A 33 ? 0.4128 0.3010 0.3247 -0.0368 -0.0062 -0.0273 45 LEU A CD2 363 N N . ASP A 34 ? 0.3504 0.3035 0.2917 0.0023 -0.0493 -0.0278 46 ASP A N 364 C CA . ASP A 34 ? 0.3600 0.3132 0.3107 -0.0044 -0.0534 -0.0267 46 ASP A CA 365 C C . ASP A 34 ? 0.3734 0.3277 0.3046 -0.0204 -0.0414 -0.0271 46 ASP A C 366 O O . ASP A 34 ? 0.3937 0.3249 0.2801 -0.0118 -0.0398 -0.0119 46 ASP A O 367 C CB . ASP A 34 ? 0.3546 0.3128 0.3395 -0.0067 -0.0687 -0.0024 46 ASP A CB 368 C CG . ASP A 34 ? 0.3926 0.3225 0.3598 -0.0066 -0.0737 -0.0082 46 ASP A CG 369 O OD1 . ASP A 34 ? 0.3773 0.3344 0.3788 0.0158 -0.0658 -0.0198 46 ASP A OD1 370 O OD2 . ASP A 34 ? 0.4238 0.3072 0.3690 -0.0178 -0.0956 0.0204 46 ASP A OD2 375 N N . PRO A 35 ? 0.3693 0.3146 0.3495 -0.0447 -0.0393 -0.0136 47 PRO A N 376 C CA . PRO A 35 ? 0.3644 0.3160 0.3766 -0.0773 -0.0482 -0.0533 47 PRO A CA 377 C C . PRO A 35 ? 0.3763 0.3185 0.3945 -0.0596 -0.0665 -0.0654 47 PRO A C 378 O O . PRO A 35 ? 0.3828 0.3120 0.4288 -0.0428 -0.0728 -0.0662 47 PRO A O 379 C CB . PRO A 35 ? 0.3747 0.3355 0.3924 -0.0765 -0.0478 -0.0249 47 PRO A CB 380 C CG . PRO A 35 ? 0.3522 0.3292 0.3843 -0.0757 -0.0366 0.0204 47 PRO A CG 381 C CD . PRO A 35 ? 0.3597 0.3360 0.3380 -0.0484 -0.0316 0.0073 47 PRO A CD 389 N N . THR A 36 ? 0.3884 0.3138 0.3948 -0.0450 -0.0612 -0.0790 48 THR A N 390 C CA . THR A 36 ? 0.4061 0.3470 0.3767 -0.0530 -0.0700 -0.0706 48 THR A CA 391 C C . THR A 36 ? 0.4202 0.3406 0.3753 -0.0348 -0.0526 -0.0563 48 THR A C 392 O O . THR A 36 ? 0.4254 0.3510 0.3706 -0.0386 -0.0552 -0.0532 48 THR A O 393 C CB . THR A 36 ? 0.3920 0.3802 0.4098 -0.0584 -0.0793 -0.0544 48 THR A CB 394 O OG1 . THR A 36 ? 0.3703 0.3864 0.4095 -0.0629 -0.1091 -0.0584 48 THR A OG1 395 C CG2 . THR A 36 ? 0.4094 0.4000 0.4309 -0.0701 -0.0433 -0.0397 48 THR A CG2 403 N N . TYR A 37 ? 0.4425 0.3173 0.3704 -0.0176 -0.0442 -0.0258 49 TYR A N 404 C CA . TYR A 37 ? 0.4555 0.3049 0.3729 -0.0258 -0.0655 -0.0197 49 TYR A CA 405 C C . TYR A 37 ? 0.4932 0.2926 0.3751 -0.0454 -0.0721 -0.0068 49 TYR A C 406 O O . TYR A 37 ? 0.5123 0.2869 0.3713 -0.0774 -0.0689 -0.0020 49 TYR A O 407 C CB . TYR A 37 ? 0.4470 0.2966 0.3582 0.0010 -0.0680 -0.0061 49 TYR A CB 408 C CG . TYR A 37 ? 0.4332 0.2929 0.3189 0.0025 -0.0457 0.0137 49 TYR A CG 409 C CD1 . TYR A 37 ? 0.4357 0.3199 0.3151 0.0024 -0.0588 0.0247 49 TYR A CD1 410 C CD2 . TYR A 37 ? 0.4384 0.3122 0.2991 -0.0129 -0.0587 -0.0105 49 TYR A CD2 411 C CE1 . TYR A 37 ? 0.4571 0.3320 0.3398 -0.0137 -0.0470 0.0092 49 TYR A CE1 412 C CE2 . TYR A 37 ? 0.4475 0.3130 0.2845 0.0032 -0.0539 0.0047 49 TYR A CE2 413 C CZ . TYR A 37 ? 0.4586 0.3239 0.3291 -0.0004 -0.0593 -0.0042 49 TYR A CZ 414 O OH . TYR A 37 ? 0.4884 0.3240 0.3295 -0.0084 -0.0881 -0.0122 49 TYR A OH 424 N N . HIS A 38 ? 0.5182 0.2965 0.4007 -0.0566 -0.1001 -0.0408 50 HIS A N 425 C CA . HIS A 38 ? 0.5495 0.3245 0.4203 -0.0300 -0.1120 -0.0404 50 HIS A CA 426 C C . HIS A 38 ? 0.5728 0.3432 0.4169 -0.0125 -0.0884 -0.0690 50 HIS A C 427 O O . HIS A 38 ? 0.5788 0.3609 0.4150 0.0106 -0.0680 -0.0607 50 HIS A O 428 C CB . HIS A 38 ? 0.5534 0.3406 0.4782 -0.0423 -0.1403 -0.0194 50 HIS A CB 429 C CG . HIS A 38 ? 0.5621 0.3691 0.5261 -0.0530 -0.1466 -0.0141 50 HIS A CG 430 N ND1 . HIS A 38 ? 0.5624 0.3722 0.5427 -0.0732 -0.1674 -0.0222 50 HIS A ND1 431 C CD2 . HIS A 38 ? 0.5612 0.3916 0.5422 -0.0470 -0.1578 -0.0179 50 HIS A CD2 432 C CE1 . HIS A 38 ? 0.5615 0.3893 0.5453 -0.0646 -0.1743 -0.0214 50 HIS A CE1 433 N NE2 . HIS A 38 ? 0.5556 0.3988 0.5381 -0.0545 -0.1583 -0.0131 50 HIS A NE2 441 N N . ILE A 39 ? 0.6139 0.3568 0.4430 -0.0323 -0.0961 -0.0858 51 ILE A N 442 C CA . ILE A 39 ? 0.6307 0.3826 0.4427 -0.0439 -0.1209 -0.0940 51 ILE A CA 443 C C . ILE A 39 ? 0.6575 0.4101 0.5029 -0.0634 -0.1312 -0.1010 51 ILE A C 444 O O . ILE A 39 ? 0.6300 0.4069 0.5417 -0.0814 -0.1653 -0.1144 51 ILE A O 445 C CB . ILE A 39 ? 0.6475 0.4204 0.4398 -0.0286 -0.1132 -0.0919 51 ILE A CB 446 C CG1 . ILE A 39 ? 0.6470 0.4244 0.4842 -0.0129 -0.0869 -0.0912 51 ILE A CG1 447 C CG2 . ILE A 39 ? 0.6457 0.4453 0.4152 -0.0205 -0.1435 -0.0868 51 ILE A CG2 448 C CD1 . ILE A 39 ? 0.6643 0.4638 0.5174 -0.0100 -0.0646 -0.0866 51 ILE A CD1 460 N N . THR A 40 ? 0.6885 0.4423 0.4886 -0.0517 -0.1493 -0.1033 52 THR A N 461 C CA . THR A 40 ? 0.7305 0.4903 0.4926 -0.0375 -0.1740 -0.0899 52 THR A CA 462 C C . THR A 40 ? 0.7678 0.4954 0.4685 -0.0204 -0.1904 -0.0901 52 THR A C 463 O O . THR A 40 ? 0.7817 0.4629 0.4383 0.0015 -0.1986 -0.0854 52 THR A O 464 C CB . THR A 40 ? 0.7458 0.5282 0.5252 -0.0319 -0.1800 -0.0959 52 THR A CB 465 O OG1 . THR A 40 ? 0.7667 0.5648 0.6014 -0.0246 -0.1432 -0.0749 52 THR A OG1 466 C CG2 . THR A 40 ? 0.7469 0.5322 0.5219 -0.0209 -0.1887 -0.1014 52 THR A CG2 474 N N . ASP A 41 ? 0.8013 0.5365 0.5004 -0.0183 -0.2014 -0.0815 53 ASP A N 475 C CA . ASP A 41 ? 0.8275 0.5704 0.5530 -0.0238 -0.2152 -0.1087 53 ASP A CA 476 C C . ASP A 41 ? 0.8096 0.5610 0.5302 -0.0445 -0.2340 -0.1018 53 ASP A C 477 O O . ASP A 41 ? 0.8326 0.5745 0.5107 -0.0512 -0.2274 -0.1004 53 ASP A O 478 C CB . ASP A 41 ? 0.8639 0.6130 0.6324 -0.0109 -0.2075 -0.1096 53 ASP A CB 479 C CG . ASP A 41 ? 0.8966 0.6540 0.7295 0.0056 -0.1733 -0.1093 53 ASP A CG 480 O OD1 . ASP A 41 ? 0.9062 0.6604 0.7745 0.0102 -0.1360 -0.1033 53 ASP A OD1 481 O OD2 . ASP A 41 ? 0.9040 0.6752 0.7597 0.0145 -0.1888 -0.1135 53 ASP A OD2 486 N N . ASP A 42 ? 0.7644 0.5329 0.5235 -0.0436 -0.2576 -0.0890 54 ASP A N 487 C CA . ASP A 42 ? 0.7335 0.5126 0.5119 -0.0459 -0.2533 -0.0802 54 ASP A CA 488 C C . ASP A 42 ? 0.7040 0.4836 0.4908 -0.0373 -0.2483 -0.0634 54 ASP A C 489 O O . ASP A 42 ? 0.6906 0.4633 0.4885 -0.0487 -0.2644 -0.0363 54 ASP A O 490 C CB . ASP A 42 ? 0.7346 0.5235 0.5198 -0.0541 -0.2549 -0.0626 54 ASP A CB 491 C CG . ASP A 42 ? 0.7358 0.5417 0.5145 -0.0457 -0.2636 -0.0354 54 ASP A CG 492 O OD1 . ASP A 42 ? 0.7247 0.5478 0.4880 -0.0583 -0.2634 -0.0134 54 ASP A OD1 493 O OD2 . ASP A 42 ? 0.7396 0.5445 0.5428 -0.0344 -0.2756 -0.0376 54 ASP A OD2 498 N N . ARG A 43 ? 0.6895 0.4791 0.4566 -0.0252 -0.2299 -0.0546 55 ARG A N 499 C CA . ARG A 43 ? 0.6778 0.4785 0.4505 -0.0213 -0.2086 -0.0594 55 ARG A CA 500 C C . ARG A 43 ? 0.6397 0.4277 0.4244 -0.0224 -0.2058 -0.0377 55 ARG A C 501 O O . ARG A 43 ? 0.6222 0.3974 0.3903 -0.0282 -0.1913 -0.0306 55 ARG A O 502 C CB . ARG A 43 ? 0.6966 0.5225 0.4715 -0.0128 -0.1924 -0.0894 55 ARG A CB 503 C CG . ARG A 43 ? 0.7182 0.5759 0.5050 -0.0030 -0.1664 -0.1296 55 ARG A CG 504 C CD . ARG A 43 ? 0.7413 0.6265 0.5474 0.0048 -0.1489 -0.1489 55 ARG A CD 505 N NE . ARG A 43 ? 0.7707 0.6826 0.5851 0.0018 -0.1305 -0.1557 55 ARG A NE 506 C CZ . ARG A 43 ? 0.7964 0.7037 0.6164 0.0139 -0.1145 -0.1700 55 ARG A CZ 507 N NH1 . ARG A 43 ? 0.8009 0.7153 0.6298 -0.0055 -0.0917 -0.1502 55 ARG A NH1 508 N NH2 . ARG A 43 ? 0.8038 0.6992 0.6096 0.0345 -0.1227 -0.1964 55 ARG A NH2 522 N N . THR A 44 ? 0.6228 0.4258 0.4302 -0.0189 -0.2249 -0.0254 56 THR A N 523 C CA . THR A 44 ? 0.6062 0.4160 0.4448 -0.0099 -0.2204 -0.0343 56 THR A CA 524 C C . THR A 44 ? 0.5743 0.4058 0.4520 -0.0096 -0.2057 -0.0033 56 THR A C 525 O O . THR A 44 ? 0.5622 0.4111 0.4521 -0.0069 -0.2009 -0.0045 56 THR A O 526 C CB . THR A 44 ? 0.6130 0.4172 0.4795 0.0088 -0.2238 -0.0271 56 THR A CB 527 O OG1 . THR A 44 ? 0.6033 0.4364 0.5533 0.0289 -0.2359 -0.0071 56 THR A OG1 528 C CG2 . THR A 44 ? 0.6379 0.3975 0.4658 0.0228 -0.1994 -0.0262 56 THR A CG2 536 N N . LYS A 45 ? 0.5718 0.3983 0.4644 -0.0081 -0.1955 0.0034 57 LYS A N 537 C CA . LYS A 45 ? 0.5645 0.4086 0.4516 -0.0022 -0.1956 -0.0060 57 LYS A CA 538 C C . LYS A 45 ? 0.5545 0.3869 0.4218 -0.0134 -0.1831 0.0100 57 LYS A C 539 O O . LYS A 45 ? 0.5503 0.4023 0.3999 -0.0450 -0.2027 0.0126 57 LYS A O 540 C CB . LYS A 45 ? 0.5602 0.4406 0.4685 -0.0099 -0.2244 -0.0050 57 LYS A CB 541 C CG . LYS A 45 ? 0.5912 0.4890 0.5279 -0.0138 -0.2071 -0.0031 57 LYS A CG 542 C CD . LYS A 45 ? 0.6200 0.5371 0.5865 -0.0107 -0.1844 0.0029 57 LYS A CD 543 C CE . LYS A 45 ? 0.6380 0.5808 0.6434 -0.0175 -0.1657 0.0103 57 LYS A CE 544 N NZ . LYS A 45 ? 0.6618 0.6006 0.6818 -0.0130 -0.1416 0.0248 57 LYS A NZ 558 N N . VAL A 46 ? 0.5412 0.3518 0.3904 0.0100 -0.1425 0.0059 58 VAL A N 559 C CA . VAL A 46 ? 0.5197 0.3429 0.3816 0.0108 -0.1339 -0.0251 58 VAL A CA 560 C C . VAL A 46 ? 0.5112 0.3510 0.3832 -0.0092 -0.1276 -0.0290 58 VAL A C 561 O O . VAL A 46 ? 0.5075 0.3520 0.3789 -0.0266 -0.1388 -0.0332 58 VAL A O 562 C CB . VAL A 46 ? 0.5233 0.3142 0.3709 0.0165 -0.1084 -0.0396 58 VAL A CB 563 C CG1 . VAL A 46 ? 0.5119 0.3238 0.3651 0.0084 -0.0744 -0.0586 58 VAL A CG1 564 C CG2 . VAL A 46 ? 0.5290 0.3034 0.3988 0.0206 -0.1250 -0.0499 58 VAL A CG2 574 N N . CYS A 47 ? 0.5103 0.3434 0.3718 -0.0053 -0.1124 -0.0213 59 CYS A N 575 C CA . CYS A 47 ? 0.4976 0.3347 0.3807 -0.0103 -0.1028 -0.0212 59 CYS A CA 576 C C . CYS A 47 ? 0.4767 0.3147 0.3823 -0.0225 -0.1169 0.0022 59 CYS A C 577 O O . CYS A 47 ? 0.4823 0.3133 0.3865 -0.0281 -0.1363 0.0075 59 CYS A O 578 C CB . CYS A 47 ? 0.4938 0.3207 0.3841 -0.0035 -0.0956 -0.0192 59 CYS A CB 579 S SG . CYS A 47 ? 0.4940 0.3343 0.4046 -0.0014 -0.0921 -0.0063 59 CYS A SG 584 N N . ALA A 48 ? 0.4487 0.3108 0.4015 -0.0415 -0.0969 0.0012 60 ALA A N 585 C CA . ALA A 48 ? 0.4291 0.3114 0.4093 -0.0358 -0.1047 -0.0341 60 ALA A CA 586 C C . ALA A 48 ? 0.4410 0.3103 0.3901 -0.0037 -0.1144 -0.0295 60 ALA A C 587 O O . ALA A 48 ? 0.4530 0.3442 0.4031 0.0233 -0.1279 -0.0144 60 ALA A O 588 C CB . ALA A 48 ? 0.4181 0.3106 0.4155 -0.0589 -0.0873 -0.0600 60 ALA A CB 594 N N . SER A 49 ? 0.4241 0.2881 0.3716 -0.0283 -0.1296 -0.0238 61 SER A N 595 C CA . SER A 49 ? 0.4254 0.2941 0.3548 -0.0390 -0.1136 -0.0131 61 SER A CA 596 C C . SER A 49 ? 0.4381 0.2906 0.3555 -0.0190 -0.1259 0.0023 61 SER A C 597 O O . SER A 49 ? 0.4578 0.2806 0.3657 -0.0131 -0.1166 -0.0135 61 SER A O 598 C CB . SER A 49 ? 0.4219 0.2856 0.3525 -0.0267 -0.0639 0.0144 61 SER A CB 599 O OG . SER A 49 ? 0.4122 0.3052 0.3535 -0.0455 -0.0432 0.0160 61 SER A OG 605 N N . SER A 50 ? 0.4345 0.3136 0.3641 -0.0015 -0.1493 0.0328 62 SER A N 606 C CA . SER A 50 ? 0.4507 0.3231 0.3843 0.0084 -0.1412 0.0556 62 SER A CA 607 C C . SER A 50 ? 0.4725 0.3285 0.3957 0.0050 -0.1528 0.0315 62 SER A C 608 O O . SER A 50 ? 0.4695 0.3262 0.3859 0.0178 -0.1441 0.0266 62 SER A O 609 C CB . SER A 50 ? 0.4504 0.3612 0.3937 -0.0072 -0.1290 0.0659 62 SER A CB 610 O OG . SER A 50 ? 0.4655 0.3692 0.4122 -0.0125 -0.1355 0.0529 62 SER A OG 616 N N . LYS A 51 ? 0.4993 0.3208 0.4166 0.0148 -0.1508 0.0057 63 LYS A N 617 C CA . LYS A 51 ? 0.5404 0.3385 0.4155 0.0275 -0.1814 0.0054 63 LYS A CA 618 C C . LYS A 51 ? 0.5664 0.3340 0.4539 0.0428 -0.1810 -0.0178 63 LYS A C 619 O O . LYS A 51 ? 0.5878 0.3367 0.4478 0.0490 -0.1874 -0.0342 63 LYS A O 620 C CB . LYS A 51 ? 0.5628 0.3708 0.3830 0.0064 -0.1991 0.0063 63 LYS A CB 621 C CG . LYS A 51 ? 0.5870 0.4167 0.4181 0.0083 -0.1900 0.0348 63 LYS A CG 622 C CD . LYS A 51 ? 0.5856 0.4272 0.4413 -0.0247 -0.1844 -0.0067 63 LYS A CD 623 C CE . LYS A 51 ? 0.5901 0.4078 0.4132 -0.0363 -0.1839 -0.0313 63 LYS A CE 624 N NZ . LYS A 51 ? 0.5882 0.4048 0.3940 -0.0248 -0.1637 -0.0205 63 LYS A NZ 638 N N . GLY A 52 ? 0.5683 0.3329 0.4710 0.0699 -0.1787 -0.0252 64 GLY A N 639 C CA . GLY A 52 ? 0.5712 0.3417 0.4856 0.0862 -0.1489 -0.0231 64 GLY A CA 640 C C . GLY A 52 ? 0.5823 0.3559 0.4811 0.1051 -0.1721 -0.0215 64 GLY A C 641 O O . GLY A 52 ? 0.5763 0.3809 0.5139 0.1263 -0.2015 -0.0195 64 GLY A O 645 N N . ALA A 53 ? 0.5767 0.3596 0.4342 0.1097 -0.1728 -0.0047 65 ALA A N 646 C CA . ALA A 53 ? 0.5890 0.3614 0.4256 0.0675 -0.1755 0.0021 65 ALA A CA 647 C C . ALA A 53 ? 0.5992 0.3650 0.4044 0.0285 -0.1740 -0.0186 65 ALA A C 648 O O . ALA A 53 ? 0.6054 0.3597 0.4125 -0.0038 -0.1824 -0.0225 65 ALA A O 649 C CB . ALA A 53 ? 0.5946 0.3686 0.4138 0.0637 -0.1663 0.0142 65 ALA A CB 655 N N . ASN A 54 ? 0.6055 0.3818 0.3897 0.0130 -0.1839 -0.0114 66 ASN A N 656 C CA . ASN A 54 ? 0.5984 0.4083 0.3671 -0.0130 -0.1554 0.0025 66 ASN A CA 657 C C . ASN A 54 ? 0.6100 0.4059 0.3561 -0.0346 -0.1208 0.0163 66 ASN A C 658 O O . ASN A 54 ? 0.6323 0.3891 0.3473 -0.0598 -0.1034 0.0322 66 ASN A O 659 C CB . ASN A 54 ? 0.5901 0.4452 0.3527 -0.0360 -0.1834 -0.0060 66 ASN A CB 660 C CG . ASN A 54 ? 0.5922 0.4736 0.3758 -0.0417 -0.1712 0.0232 66 ASN A CG 661 O OD1 . ASN A 54 ? 0.6335 0.4877 0.3644 -0.0597 -0.1424 0.0274 66 ASN A OD1 662 N ND2 . ASN A 54 ? 0.5350 0.4713 0.4070 -0.0190 -0.2049 0.0268 66 ASN A ND2 668 N N . ALA A 55 ? 0.5935 0.3929 0.3475 -0.0083 -0.1124 0.0147 67 ALA A N 669 C CA . ALA A 55 ? 0.5946 0.3799 0.3433 -0.0014 -0.1162 0.0119 67 ALA A CA 670 C C . ALA A 55 ? 0.6201 0.3791 0.3418 0.0073 -0.1194 -0.0041 67 ALA A C 671 O O . ALA A 55 ? 0.6386 0.3734 0.3563 0.0137 -0.1144 -0.0227 67 ALA A O 672 C CB . ALA A 55 ? 0.5794 0.3673 0.3775 -0.0030 -0.1243 -0.0006 67 ALA A CB 678 N N . SER A 56 ? 0.6432 0.4105 0.3561 0.0134 -0.0944 0.0146 68 SER A N 679 C CA A SER A 56 ? 0.6608 0.4257 0.3655 0.0129 -0.0818 0.0185 68 SER A CA 680 C CA B SER A 56 ? 0.6588 0.4229 0.3713 0.0108 -0.0843 0.0085 68 SER A CA 681 C C . SER A 56 ? 0.6715 0.4416 0.3583 0.0050 -0.0875 0.0107 68 SER A C 682 O O . SER A 56 ? 0.6844 0.4709 0.3771 -0.0256 -0.1286 -0.0218 68 SER A O 683 C CB A SER A 56 ? 0.6722 0.4252 0.3845 0.0184 -0.0504 0.0283 68 SER A CB 684 C CB B SER A 56 ? 0.6653 0.4154 0.4020 0.0111 -0.0600 -0.0039 68 SER A CB 685 O OG A SER A 56 ? 0.6835 0.4246 0.3904 0.0195 -0.0308 0.0473 68 SER A OG 686 O OG B SER A 56 ? 0.6701 0.4073 0.4193 0.0060 -0.0558 -0.0080 68 SER A OG 696 N N . ASN A 57 ? 0.6661 0.4163 0.3362 0.0205 -0.0592 0.0343 69 ASN A N 697 C CA . ASN A 57 ? 0.6672 0.4428 0.3446 0.0203 -0.0332 0.0170 69 ASN A CA 698 C C . ASN A 57 ? 0.6544 0.4170 0.3239 0.0132 -0.0202 0.0062 69 ASN A C 699 O O . ASN A 57 ? 0.6654 0.4216 0.3312 0.0189 0.0153 0.0084 69 ASN A O 700 C CB . ASN A 57 ? 0.6929 0.4908 0.4010 0.0298 -0.0331 -0.0074 69 ASN A CB 701 C CG . ASN A 57 ? 0.7140 0.5532 0.4745 0.0177 -0.0513 -0.0246 69 ASN A CG 702 O OD1 . ASN A 57 ? 0.7224 0.5916 0.5074 0.0135 -0.0734 -0.0720 69 ASN A OD1 703 N ND2 . ASN A 57 ? 0.7260 0.5668 0.4869 0.0277 -0.0533 -0.0006 69 ASN A ND2 710 N N . PRO A 58 ? 0.6302 0.3920 0.3043 -0.0067 -0.0505 -0.0251 70 PRO A N 711 C CA . PRO A 58 ? 0.6155 0.3480 0.3307 -0.0174 -0.0476 -0.0324 70 PRO A CA 712 C C . PRO A 58 ? 0.6093 0.3309 0.3310 -0.0189 -0.0335 -0.0606 70 PRO A C 713 O O . PRO A 58 ? 0.6400 0.3517 0.3332 -0.0309 -0.0694 -0.0623 70 PRO A O 714 C CB . PRO A 58 ? 0.6027 0.3569 0.3331 -0.0357 -0.0663 -0.0106 70 PRO A CB 715 C CG . PRO A 58 ? 0.6026 0.3552 0.2949 -0.0282 -0.0796 0.0228 70 PRO A CG 716 C CD . PRO A 58 ? 0.6142 0.3705 0.2680 -0.0129 -0.0917 0.0127 70 PRO A CD 724 N N . GLY A 59 ? 0.5623 0.2901 0.3317 -0.0154 -0.0235 -0.0612 71 GLY A N 725 C CA . GLY A 59 ? 0.5355 0.2429 0.3224 -0.0278 -0.0116 -0.0636 71 GLY A CA 726 C C . GLY A 59 ? 0.5299 0.2526 0.3285 -0.0309 -0.0300 -0.0342 71 GLY A C 727 O O . GLY A 59 ? 0.5018 0.2581 0.3401 -0.0355 -0.0440 -0.0257 71 GLY A O 731 N N . PRO A 60 ? 0.5334 0.2519 0.2999 -0.0077 -0.0436 -0.0287 72 PRO A N 732 C CA . PRO A 60 ? 0.5385 0.2708 0.2904 -0.0219 -0.0254 -0.0376 72 PRO A CA 733 C C . PRO A 60 ? 0.5109 0.2773 0.2880 -0.0307 -0.0165 -0.0271 72 PRO A C 734 O O . PRO A 60 ? 0.5059 0.2967 0.2713 -0.0231 -0.0214 -0.0484 72 PRO A O 735 C CB . PRO A 60 ? 0.5624 0.2854 0.3232 -0.0007 0.0072 -0.0468 72 PRO A CB 736 C CG . PRO A 60 ? 0.5753 0.2698 0.3426 0.0186 -0.0015 -0.0334 72 PRO A CG 737 C CD . PRO A 60 ? 0.5699 0.2624 0.3327 -0.0002 -0.0221 -0.0223 72 PRO A CD 745 N N . PHE A 61 ? 0.4973 0.2334 0.2897 -0.0209 -0.0062 -0.0271 73 PHE A N 746 C CA . PHE A 61 ? 0.4684 0.2334 0.2671 0.0205 -0.0271 -0.0401 73 PHE A CA 747 C C . PHE A 61 ? 0.4687 0.2323 0.2628 0.0147 -0.0160 -0.0376 73 PHE A C 748 O O . PHE A 61 ? 0.4940 0.2548 0.2523 0.0096 0.0064 -0.0459 73 PHE A O 749 C CB . PHE A 61 ? 0.4709 0.2470 0.2989 0.0388 -0.0042 -0.0588 73 PHE A CB 750 C CG . PHE A 61 ? 0.4456 0.2406 0.2969 0.0173 -0.0173 -0.0162 73 PHE A CG 751 C CD1 . PHE A 61 ? 0.4577 0.2680 0.3174 0.0214 -0.0164 -0.0137 73 PHE A CD1 752 C CD2 . PHE A 61 ? 0.4632 0.2573 0.2963 -0.0156 -0.0186 -0.0192 73 PHE A CD2 753 C CE1 . PHE A 61 ? 0.4636 0.2792 0.3261 0.0068 -0.0235 -0.0089 73 PHE A CE1 754 C CE2 . PHE A 61 ? 0.4816 0.3054 0.3228 -0.0006 -0.0079 -0.0438 73 PHE A CE2 755 C CZ . PHE A 61 ? 0.4754 0.2956 0.3439 -0.0055 -0.0344 -0.0173 73 PHE A CZ 765 N N . GLY A 62 ? 0.4525 0.2386 0.2759 0.0060 -0.0264 -0.0163 74 GLY A N 766 C CA . GLY A 62 ? 0.4545 0.2282 0.2934 0.0118 -0.0368 0.0072 74 GLY A CA 767 C C . GLY A 62 ? 0.4791 0.2476 0.2704 0.0146 -0.0324 -0.0301 74 GLY A C 768 O O . GLY A 62 ? 0.5149 0.2700 0.2936 0.0052 -0.0287 -0.0145 74 GLY A O 772 N N . ASP A 63 ? 0.4756 0.2515 0.2819 0.0005 -0.0193 -0.0150 75 ASP A N 773 C CA . ASP A 63 ? 0.4665 0.2490 0.2829 0.0107 -0.0367 -0.0197 75 ASP A CA 774 C C . ASP A 63 ? 0.4573 0.2579 0.2948 -0.0082 -0.0433 0.0024 75 ASP A C 775 O O . ASP A 63 ? 0.4511 0.2730 0.2663 -0.0204 -0.0426 0.0177 75 ASP A O 776 C CB . ASP A 63 ? 0.4770 0.2693 0.2888 -0.0030 -0.0617 -0.0109 75 ASP A CB 777 C CG . ASP A 63 ? 0.5003 0.2973 0.3057 -0.0011 -0.0710 -0.0118 75 ASP A CG 778 O OD1 . ASP A 63 ? 0.5416 0.3297 0.2933 -0.0360 -0.0597 -0.0105 75 ASP A OD1 779 O OD2 . ASP A 63 ? 0.4978 0.2988 0.3338 0.0390 -0.0665 -0.0329 75 ASP A OD2 784 N N . VAL A 64 ? 0.4677 0.2456 0.3097 0.0152 -0.0419 0.0190 76 VAL A N 785 C CA . VAL A 64 ? 0.4535 0.2593 0.3015 0.0360 -0.0219 -0.0037 76 VAL A CA 786 C C . VAL A 64 ? 0.4462 0.2577 0.3132 0.0285 -0.0235 -0.0050 76 VAL A C 787 O O . VAL A 64 ? 0.4265 0.2604 0.3314 0.0294 -0.0360 -0.0213 76 VAL A O 788 C CB . VAL A 64 ? 0.4539 0.2916 0.3275 0.0250 -0.0135 -0.0119 76 VAL A CB 789 C CG1 . VAL A 64 ? 0.4332 0.3021 0.3210 0.0228 -0.0001 -0.0136 76 VAL A CG1 790 C CG2 . VAL A 64 ? 0.4684 0.3137 0.3395 0.0161 -0.0021 0.0068 76 VAL A CG2 800 N N . LEU A 65 ? 0.4499 0.2508 0.2993 0.0065 -0.0277 0.0048 77 LEU A N 801 C CA . LEU A 65 ? 0.4494 0.2694 0.3037 0.0209 -0.0419 0.0129 77 LEU A CA 802 C C . LEU A 65 ? 0.4262 0.2484 0.2832 0.0204 -0.0479 0.0030 77 LEU A C 803 O O . LEU A 65 ? 0.4406 0.2690 0.3056 0.0340 -0.0420 0.0086 77 LEU A O 804 C CB . LEU A 65 ? 0.4751 0.3224 0.3408 0.0229 -0.0414 0.0070 77 LEU A CB 805 C CG . LEU A 65 ? 0.4957 0.3455 0.3193 0.0071 -0.0457 0.0074 77 LEU A CG 806 C CD1 . LEU A 65 ? 0.5046 0.3506 0.3073 0.0073 -0.0652 0.0070 77 LEU A CD1 807 C CD2 . LEU A 65 ? 0.5125 0.3731 0.3040 -0.0099 -0.0216 0.0085 77 LEU A CD2 819 N N . CYS A 66 ? 0.4181 0.2560 0.2947 0.0010 -0.0462 0.0057 78 CYS A N 820 C CA . CYS A 66 ? 0.4070 0.2735 0.2900 -0.0047 -0.0366 -0.0051 78 CYS A CA 821 C C . CYS A 66 ? 0.3942 0.2665 0.2742 -0.0340 -0.0306 -0.0114 78 CYS A C 822 O O . CYS A 66 ? 0.4257 0.2793 0.2814 -0.0201 -0.0524 -0.0112 78 CYS A O 823 C CB . CYS A 66 ? 0.4300 0.2990 0.3126 0.0041 -0.0852 -0.0142 78 CYS A CB 824 S SG . CYS A 66 ? 0.4744 0.3355 0.3560 0.0039 -0.0718 -0.0276 78 CYS A SG 829 N N . ASP A 67 ? 0.3809 0.2734 0.2517 -0.0371 -0.0179 -0.0001 79 ASP A N 830 C CA . ASP A 67 ? 0.3869 0.2544 0.2765 -0.0103 0.0008 0.0050 79 ASP A CA 831 C C . ASP A 67 ? 0.3913 0.2731 0.2963 -0.0179 -0.0239 -0.0162 79 ASP A C 832 O O . ASP A 67 ? 0.3946 0.2852 0.3008 -0.0205 -0.0612 -0.0274 79 ASP A O 833 C CB . ASP A 67 ? 0.4009 0.2505 0.2850 -0.0271 0.0177 0.0230 79 ASP A CB 834 C CG . ASP A 67 ? 0.3950 0.2777 0.3328 -0.0129 0.0118 0.0061 79 ASP A CG 835 O OD1 . ASP A 67 ? 0.4165 0.2968 0.3185 -0.0257 0.0087 0.0026 79 ASP A OD1 836 O OD2 . ASP A 67 ? 0.3740 0.3162 0.3912 0.0140 0.0217 0.0075 79 ASP A OD2 841 N N . SER A 68 ? 0.3876 0.2790 0.2827 -0.0148 -0.0130 -0.0216 80 SER A N 842 C CA . SER A 68 ? 0.3950 0.2566 0.2926 -0.0247 -0.0390 -0.0179 80 SER A CA 843 C C . SER A 68 ? 0.3851 0.2606 0.2651 -0.0277 -0.0214 -0.0046 80 SER A C 844 O O . SER A 68 ? 0.3866 0.2870 0.2878 -0.0208 -0.0129 -0.0323 80 SER A O 845 C CB . SER A 68 ? 0.3700 0.2282 0.2944 -0.0199 -0.0642 -0.0011 80 SER A CB 846 O OG . SER A 68 ? 0.3798 0.2485 0.3110 -0.0130 -0.0583 -0.0005 80 SER A OG 852 N N . PRO A 69 ? 0.3924 0.2471 0.2835 -0.0423 -0.0214 -0.0014 81 PRO A N 853 C CA . PRO A 69 ? 0.4142 0.2243 0.2861 -0.0363 -0.0416 0.0101 81 PRO A CA 854 C C . PRO A 69 ? 0.4164 0.2379 0.2958 -0.0342 -0.0443 -0.0074 81 PRO A C 855 O O . PRO A 69 ? 0.4103 0.2629 0.3310 -0.0321 -0.0237 -0.0110 81 PRO A O 856 C CB . PRO A 69 ? 0.4321 0.2386 0.2727 -0.0357 -0.0199 -0.0034 81 PRO A CB 857 C CG . PRO A 69 ? 0.4176 0.2634 0.3213 -0.0512 -0.0005 -0.0286 81 PRO A CG 858 C CD . PRO A 69 ? 0.4069 0.2540 0.2934 -0.0417 -0.0215 -0.0339 81 PRO A CD 866 N N . TYR A 70 ? 0.4138 0.2337 0.3048 -0.0429 -0.0342 -0.0006 82 TYR A N 867 C CA . TYR A 70 ? 0.4084 0.2462 0.3049 -0.0318 -0.0172 0.0053 82 TYR A CA 868 C C . TYR A 70 ? 0.3904 0.2887 0.3129 -0.0273 -0.0022 0.0213 82 TYR A C 869 O O . TYR A 70 ? 0.3761 0.2785 0.3381 -0.0076 -0.0123 0.0338 82 TYR A O 870 C CB . TYR A 70 ? 0.4255 0.2523 0.3136 -0.0613 -0.0270 0.0209 82 TYR A CB 871 C CG . TYR A 70 ? 0.4508 0.2895 0.3399 -0.0285 -0.0251 0.0588 82 TYR A CG 872 C CD1 . TYR A 70 ? 0.4653 0.3323 0.3411 -0.0217 -0.0141 0.0705 82 TYR A CD1 873 C CD2 . TYR A 70 ? 0.4964 0.3261 0.3836 -0.0078 -0.0224 0.0883 82 TYR A CD2 874 C CE1 . TYR A 70 ? 0.5014 0.3774 0.3723 -0.0251 -0.0231 0.0960 82 TYR A CE1 875 C CE2 . TYR A 70 ? 0.5213 0.3507 0.4135 0.0027 -0.0302 0.1069 82 TYR A CE2 876 C CZ . TYR A 70 ? 0.5318 0.3851 0.4144 -0.0146 -0.0308 0.1314 82 TYR A CZ 877 O OH . TYR A 70 ? 0.5732 0.4433 0.4959 -0.0352 -0.0316 0.1379 82 TYR A OH 887 N N . GLN A 71 ? 0.3965 0.2832 0.3034 -0.0182 0.0041 -0.0128 83 GLN A N 888 C CA . GLN A 71 ? 0.4081 0.2703 0.2925 -0.0311 0.0043 -0.0308 83 GLN A CA 889 C C . GLN A 71 ? 0.4042 0.2596 0.3136 -0.0207 -0.0224 -0.0311 83 GLN A C 890 O O . GLN A 71 ? 0.4080 0.2792 0.3110 -0.0354 -0.0542 -0.0337 83 GLN A O 891 C CB . GLN A 71 ? 0.4153 0.2835 0.3260 -0.0062 0.0054 -0.0437 83 GLN A CB 892 C CG . GLN A 71 ? 0.4416 0.3140 0.3491 0.0052 -0.0077 -0.0364 83 GLN A CG 893 C CD . GLN A 71 ? 0.4639 0.3498 0.3918 0.0184 -0.0242 -0.0327 83 GLN A CD 894 O OE1 . GLN A 71 ? 0.4737 0.3473 0.3586 -0.0111 -0.0480 -0.0177 83 GLN A OE1 895 N NE2 . GLN A 71 ? 0.4639 0.3779 0.4561 0.0309 -0.0290 -0.0113 83 GLN A NE2 904 N N . LEU A 72 ? 0.4019 0.2558 0.2850 -0.0154 -0.0192 -0.0118 84 LEU A N 905 C CA . LEU A 72 ? 0.4143 0.2421 0.2840 -0.0111 -0.0229 -0.0254 84 LEU A CA 906 C C . LEU A 72 ? 0.4113 0.2541 0.2674 0.0042 -0.0372 -0.0120 84 LEU A C 907 O O . LEU A 72 ? 0.4287 0.2484 0.2679 0.0017 -0.0428 0.0031 84 LEU A O 908 C CB . LEU A 72 ? 0.3994 0.2050 0.2802 -0.0063 -0.0498 -0.0205 84 LEU A CB 909 C CG . LEU A 72 ? 0.3994 0.2035 0.3077 -0.0082 -0.0299 -0.0329 84 LEU A CG 910 C CD1 . LEU A 72 ? 0.4343 0.2259 0.3147 -0.0225 -0.0225 -0.0387 84 LEU A CD1 911 C CD2 . LEU A 72 ? 0.3667 0.2114 0.2955 -0.0078 -0.0229 -0.0344 84 LEU A CD2 923 N N . ILE A 73 ? 0.4067 0.2657 0.2691 0.0426 -0.0443 -0.0222 85 ILE A N 924 C CA . ILE A 73 ? 0.3969 0.2661 0.3019 0.0266 -0.0421 -0.0233 85 ILE A CA 925 C C . ILE A 73 ? 0.3953 0.2592 0.3033 0.0008 -0.0192 -0.0307 85 ILE A C 926 O O . ILE A 73 ? 0.3895 0.2580 0.2787 -0.0088 -0.0112 -0.0591 85 ILE A O 927 C CB . ILE A 73 ? 0.3886 0.2848 0.3089 0.0324 -0.0516 -0.0256 85 ILE A CB 928 C CG1 . ILE A 73 ? 0.4051 0.3078 0.3261 0.0439 -0.0734 -0.0157 85 ILE A CG1 929 C CG2 . ILE A 73 ? 0.3716 0.3197 0.3067 0.0533 -0.0602 -0.0210 85 ILE A CG2 930 C CD1 . ILE A 73 ? 0.4208 0.3324 0.3407 0.0326 -0.0743 -0.0195 85 ILE A CD1 942 N N . LEU A 74 ? 0.4115 0.2586 0.3174 -0.0051 -0.0007 0.0008 86 LEU A N 943 C CA . LEU A 74 ? 0.4244 0.2221 0.3223 -0.0171 -0.0090 -0.0167 86 LEU A CA 944 C C . LEU A 74 ? 0.4251 0.2342 0.3198 -0.0138 -0.0376 0.0067 86 LEU A C 945 O O . LEU A 74 ? 0.4540 0.2625 0.3246 0.0104 -0.0294 0.0142 86 LEU A O 946 C CB . LEU A 74 ? 0.4709 0.2324 0.3711 -0.0423 0.0021 0.0105 86 LEU A CB 947 C CG . LEU A 74 ? 0.5182 0.2990 0.4116 -0.0444 -0.0042 0.0249 86 LEU A CG 948 C CD1 . LEU A 74 ? 0.5340 0.3170 0.4000 -0.0636 0.0162 0.0677 86 LEU A CD1 949 C CD2 . LEU A 74 ? 0.5314 0.3183 0.4316 -0.0544 -0.0144 0.0150 86 LEU A CD2 961 N N . SER A 75 ? 0.4178 0.2250 0.3137 0.0113 -0.0270 -0.0180 87 SER A N 962 C CA . SER A 75 ? 0.4004 0.2260 0.3068 -0.0010 -0.0138 -0.0119 87 SER A CA 963 C C . SER A 75 ? 0.3700 0.2625 0.2981 0.0169 -0.0210 -0.0183 87 SER A C 964 O O . SER A 75 ? 0.3658 0.2636 0.3000 0.0166 -0.0046 -0.0176 87 SER A O 965 C CB . SER A 75 ? 0.4389 0.2495 0.3313 0.0209 -0.0352 -0.0150 87 SER A CB 966 O OG . SER A 75 ? 0.4515 0.2405 0.3330 0.0232 -0.0166 -0.0086 87 SER A OG 972 N N . ALA A 76 ? 0.3580 0.2699 0.2913 0.0115 -0.0132 -0.0303 88 ALA A N 973 C CA . ALA A 76 ? 0.3496 0.2250 0.2997 0.0047 -0.0317 -0.0370 88 ALA A CA 974 C C . ALA A 76 ? 0.3575 0.2413 0.2872 0.0041 -0.0262 -0.0191 88 ALA A C 975 O O . ALA A 76 ? 0.3731 0.2709 0.3038 0.0007 -0.0216 -0.0051 88 ALA A O 976 C CB . ALA A 76 ? 0.3592 0.1992 0.3029 -0.0096 -0.0167 -0.0455 88 ALA A CB 982 N N . PHE A 77 ? 0.3680 0.2449 0.2987 0.0413 -0.0362 -0.0028 89 PHE A N 983 C CA . PHE A 77 ? 0.3947 0.2547 0.2878 0.0334 -0.0157 -0.0041 89 PHE A CA 984 C C . PHE A 77 ? 0.4130 0.2501 0.3017 0.0402 -0.0331 -0.0170 89 PHE A C 985 O O . PHE A 77 ? 0.4190 0.2710 0.3104 0.0183 -0.0440 -0.0047 89 PHE A O 986 C CB . PHE A 77 ? 0.4142 0.2598 0.3059 0.0223 -0.0038 -0.0223 89 PHE A CB 987 C CG . PHE A 77 ? 0.4243 0.2799 0.2911 0.0444 0.0099 -0.0302 89 PHE A CG 988 C CD1 . PHE A 77 ? 0.4105 0.2794 0.3004 0.0239 0.0073 -0.0153 89 PHE A CD1 989 C CD2 . PHE A 77 ? 0.4387 0.2977 0.2717 0.0540 -0.0098 -0.0108 89 PHE A CD2 990 C CE1 . PHE A 77 ? 0.4028 0.2793 0.2545 0.0524 -0.0103 -0.0103 89 PHE A CE1 991 C CE2 . PHE A 77 ? 0.4321 0.3011 0.2842 0.0630 -0.0120 -0.0112 89 PHE A CE2 992 C CZ . PHE A 77 ? 0.4212 0.2943 0.2753 0.0566 -0.0202 -0.0131 89 PHE A CZ 1002 N N . ASP A 78 ? 0.4317 0.2570 0.3472 0.0684 -0.0271 -0.0039 90 ASP A N 1003 C CA . ASP A 78 ? 0.4638 0.2724 0.3398 0.0583 -0.0309 -0.0260 90 ASP A CA 1004 C C . ASP A 78 ? 0.4664 0.2725 0.3312 0.0819 -0.0461 -0.0245 90 ASP A C 1005 O O . ASP A 78 ? 0.4906 0.3035 0.3338 0.0904 -0.0446 -0.0158 90 ASP A O 1006 C CB . ASP A 78 ? 0.4923 0.3078 0.3580 0.0400 -0.0364 -0.0216 90 ASP A CB 1007 C CG . ASP A 78 ? 0.5423 0.3972 0.4318 0.0299 -0.0578 -0.0494 90 ASP A CG 1008 O OD1 . ASP A 78 ? 0.5687 0.4512 0.4651 0.0094 -0.0413 -0.0692 90 ASP A OD1 1009 O OD2 . ASP A 78 ? 0.5507 0.4160 0.4837 0.0140 -0.0633 -0.0575 90 ASP A OD2 1014 N N . PHE A 79 ? 0.4599 0.2582 0.3231 0.0753 -0.0442 -0.0348 91 PHE A N 1015 C CA . PHE A 79 ? 0.4557 0.2673 0.3315 0.0499 -0.0405 0.0031 91 PHE A CA 1016 C C . PHE A 79 ? 0.4377 0.2557 0.3368 0.0453 -0.0397 -0.0253 91 PHE A C 1017 O O . PHE A 79 ? 0.4536 0.2694 0.3360 0.0377 -0.0059 0.0110 91 PHE A O 1018 C CB . PHE A 79 ? 0.4527 0.2888 0.3541 0.0266 -0.0346 0.0148 91 PHE A CB 1019 C CG . PHE A 79 ? 0.4534 0.3275 0.3561 0.0115 -0.0462 0.0155 91 PHE A CG 1020 C CD1 . PHE A 79 ? 0.4523 0.3548 0.3944 0.0045 -0.0362 0.0236 91 PHE A CD1 1021 C CD2 . PHE A 79 ? 0.4544 0.3507 0.3371 -0.0147 -0.0473 0.0198 91 PHE A CD2 1022 C CE1 . PHE A 79 ? 0.4526 0.3761 0.4202 0.0143 -0.0271 0.0265 91 PHE A CE1 1023 C CE2 . PHE A 79 ? 0.4583 0.3742 0.3515 -0.0142 -0.0390 0.0156 91 PHE A CE2 1024 C CZ . PHE A 79 ? 0.4549 0.3832 0.3915 -0.0022 -0.0420 0.0238 91 PHE A CZ 1034 N N . ILE A 80 ? 0.4349 0.2624 0.3571 0.0232 -0.0533 -0.0601 92 ILE A N 1035 C CA . ILE A 80 ? 0.4467 0.2664 0.3367 0.0283 -0.0559 -0.0501 92 ILE A CA 1036 C C . ILE A 80 ? 0.4622 0.3009 0.3235 0.0687 -0.0646 -0.0248 92 ILE A C 1037 O O . ILE A 80 ? 0.4559 0.3299 0.3392 0.0683 -0.0610 -0.0419 92 ILE A O 1038 C CB . ILE A 80 ? 0.4449 0.2566 0.3290 0.0004 -0.0555 -0.0492 92 ILE A CB 1039 C CG1 . ILE A 80 ? 0.4334 0.2481 0.3080 0.0114 -0.0150 -0.0406 92 ILE A CG1 1040 C CG2 . ILE A 80 ? 0.4556 0.2816 0.3704 -0.0045 -0.0232 -0.0406 92 ILE A CG2 1041 C CD1 . ILE A 80 ? 0.4260 0.2658 0.3202 0.0279 -0.0019 -0.0254 92 ILE A CD1 1053 N N . LYS A 81 ? 0.4896 0.2702 0.3321 0.0704 -0.0771 -0.0149 93 LYS A N 1054 C CA . LYS A 81 ? 0.5278 0.3162 0.3601 0.0504 -0.0744 0.0181 93 LYS A CA 1055 C C . LYS A 81 ? 0.5287 0.3253 0.4122 0.0639 -0.1015 0.0165 93 LYS A C 1056 O O . LYS A 81 ? 0.5388 0.3596 0.4398 0.0848 -0.1037 0.0373 93 LYS A O 1057 C CB . LYS A 81 ? 0.5691 0.3243 0.3654 0.0576 -0.0645 0.0778 93 LYS A CB 1058 C CG . LYS A 81 ? 0.6122 0.3535 0.3939 0.0740 -0.0264 0.1221 93 LYS A CG 1059 C CD . LYS A 81 ? 0.6472 0.4310 0.4661 0.0753 -0.0201 0.1284 93 LYS A CD 1060 C CE . LYS A 81 ? 0.6616 0.4947 0.4837 0.0910 -0.0067 0.1329 93 LYS A CE 1061 N NZ . LYS A 81 ? 0.6609 0.5216 0.4636 0.0953 0.0207 0.1404 93 LYS A NZ 1075 N N . ASN A 82 ? 0.5275 0.3085 0.4336 0.0617 -0.0814 -0.0239 94 ASN A N 1076 C CA . ASN A 82 ? 0.5433 0.3093 0.4923 0.0692 -0.1084 -0.0525 94 ASN A CA 1077 C C . ASN A 82 ? 0.5497 0.3232 0.5394 0.0873 -0.0872 -0.0660 94 ASN A C 1078 O O . ASN A 82 ? 0.5524 0.3461 0.5539 0.0730 -0.0761 -0.0615 94 ASN A O 1079 C CB . ASN A 82 ? 0.5785 0.3465 0.5324 0.0381 -0.1112 -0.0629 94 ASN A CB 1080 C CG . ASN A 82 ? 0.6179 0.4053 0.5961 0.0113 -0.1181 -0.0461 94 ASN A CG 1081 O OD1 . ASN A 82 ? 0.6434 0.4428 0.6226 -0.0131 -0.0992 -0.0742 94 ASN A OD1 1082 N ND2 . ASN A 82 ? 0.6300 0.4310 0.6652 -0.0022 -0.1108 -0.0293 94 ASN A ND2 1089 N N . SER A 83 ? 0.5443 0.3263 0.5651 0.0986 -0.0984 -0.0534 95 SER A N 1090 C CA . SER A 83 ? 0.5203 0.3488 0.5901 0.1200 -0.1189 -0.0487 95 SER A CA 1091 C C . SER A 83 ? 0.5433 0.3825 0.6459 0.1556 -0.1087 -0.0580 95 SER A C 1092 O O . SER A 83 ? 0.5580 0.4172 0.6700 0.1675 -0.0939 -0.0736 95 SER A O 1093 C CB . SER A 83 ? 0.4888 0.3284 0.5734 0.0821 -0.1409 -0.0354 95 SER A CB 1094 O OG . SER A 83 ? 0.4584 0.3040 0.5517 0.0620 -0.1434 -0.0539 95 SER A OG 1100 N N . GLY A 84 ? 0.5457 0.3687 0.6693 0.1725 -0.1391 -0.0553 96 GLY A N 1101 C CA . GLY A 84 ? 0.5754 0.3803 0.7034 0.1590 -0.1257 -0.0755 96 GLY A CA 1102 C C . GLY A 84 ? 0.6000 0.3809 0.7199 0.1632 -0.1205 -0.0775 96 GLY A C 1103 O O . GLY A 84 ? 0.6154 0.3720 0.7565 0.1644 -0.1226 -0.0878 96 GLY A O 1107 N N . GLN A 85 ? 0.6164 0.4078 0.7089 0.1529 -0.1039 -0.0681 97 GLN A N 1108 C CA . GLN A 85 ? 0.6158 0.4177 0.7028 0.1424 -0.1025 -0.0731 97 GLN A CA 1109 C C . GLN A 85 ? 0.6402 0.4503 0.7110 0.1322 -0.0722 -0.0762 97 GLN A C 1110 O O . GLN A 85 ? 0.6624 0.4782 0.7430 0.1107 -0.0714 -0.0856 97 GLN A O 1111 C CB . GLN A 85 ? 0.5982 0.4092 0.6999 0.1509 -0.1160 -0.0665 97 GLN A CB 1112 C CG . GLN A 85 ? 0.6045 0.4289 0.6923 0.1359 -0.1032 -0.0722 97 GLN A CG 1113 C CD . GLN A 85 ? 0.6078 0.4515 0.6963 0.1366 -0.0650 -0.0661 97 GLN A CD 1114 O OE1 . GLN A 85 ? 0.5918 0.4439 0.6777 0.1468 -0.0533 -0.0691 97 GLN A OE1 1115 N NE2 . GLN A 85 ? 0.6288 0.4811 0.7222 0.1102 -0.0546 -0.0733 97 GLN A NE2 1124 N N . GLU A 86 ? 0.6516 0.4532 0.6820 0.1347 -0.0417 -0.0682 98 GLU A N 1125 C CA . GLU A 86 ? 0.6763 0.4619 0.6588 0.1142 -0.0083 -0.0891 98 GLU A CA 1126 C C . GLU A 86 ? 0.6342 0.4173 0.5964 0.0717 0.0059 -0.0926 98 GLU A C 1127 O O . GLU A 86 ? 0.6522 0.4432 0.6594 0.0717 0.0201 -0.1298 98 GLU A O 1128 C CB . GLU A 86 ? 0.7413 0.5148 0.7180 0.1094 0.0099 -0.0829 98 GLU A CB 1129 C CG . GLU A 86 ? 0.7959 0.5622 0.7739 0.0879 0.0247 -0.0760 98 GLU A CG 1130 C CD . GLU A 86 ? 0.8407 0.6119 0.8152 0.0726 0.0500 -0.0742 98 GLU A CD 1131 O OE1 . GLU A 86 ? 0.8574 0.6545 0.8212 0.0668 0.0686 -0.0693 98 GLU A OE1 1132 O OE2 . GLU A 86 ? 0.8620 0.6099 0.8362 0.0543 0.0446 -0.0740 98 GLU A OE2 1139 N N . ALA A 87 ? 0.5729 0.3561 0.4635 0.0391 0.0169 -0.0705 99 ALA A N 1140 C CA . ALA A 87 ? 0.5200 0.3203 0.4003 0.0582 -0.0130 -0.0399 99 ALA A CA 1141 C C . ALA A 87 ? 0.4662 0.2853 0.3843 0.0371 -0.0189 0.0001 99 ALA A C 1142 O O . ALA A 87 ? 0.4718 0.2693 0.4014 0.0142 -0.0172 0.0141 99 ALA A O 1143 C CB . ALA A 87 ? 0.5314 0.3404 0.3727 0.0520 -0.0297 -0.0433 99 ALA A CB 1149 N N . SER A 88 ? 0.4403 0.2799 0.3361 0.0429 -0.0236 0.0028 100 SER A N 1150 C CA . SER A 88 ? 0.4319 0.3075 0.3450 0.0580 -0.0472 -0.0174 100 SER A CA 1151 C C . SER A 88 ? 0.4317 0.3100 0.3262 0.0809 -0.0339 -0.0056 100 SER A C 1152 O O . SER A 88 ? 0.4505 0.3440 0.3291 0.1107 -0.0339 0.0172 100 SER A O 1153 C CB . SER A 88 ? 0.4630 0.3276 0.3941 0.0581 -0.0764 0.0035 100 SER A CB 1154 O OG . SER A 88 ? 0.4710 0.3111 0.4363 0.0715 -0.0951 -0.0108 100 SER A OG 1160 N N . PHE A 89 ? 0.4055 0.2849 0.3193 0.0650 -0.0337 -0.0166 101 PHE A N 1161 C CA . PHE A 89 ? 0.4004 0.2535 0.2939 0.0628 -0.0260 -0.0041 101 PHE A CA 1162 C C . PHE A 89 ? 0.4031 0.2507 0.2925 0.0601 -0.0244 0.0020 101 PHE A C 1163 O O . PHE A 89 ? 0.3934 0.2475 0.2951 0.0658 -0.0362 -0.0110 101 PHE A O 1164 C CB . PHE A 89 ? 0.4038 0.2490 0.2908 0.0479 -0.0228 0.0104 101 PHE A CB 1165 C CG . PHE A 89 ? 0.4067 0.2540 0.2855 0.0412 -0.0045 0.0023 101 PHE A CG 1166 C CD1 . PHE A 89 ? 0.4105 0.2804 0.2831 0.0351 -0.0094 -0.0033 101 PHE A CD1 1167 C CD2 . PHE A 89 ? 0.4032 0.2436 0.3054 0.0439 -0.0146 0.0051 101 PHE A CD2 1168 C CE1 . PHE A 89 ? 0.3916 0.2734 0.2717 0.0586 -0.0006 -0.0128 101 PHE A CE1 1169 C CE2 . PHE A 89 ? 0.3849 0.2538 0.2997 0.0532 -0.0086 -0.0063 101 PHE A CE2 1170 C CZ . PHE A 89 ? 0.3893 0.2695 0.2804 0.0576 0.0053 -0.0206 101 PHE A CZ 1180 N N . MET A 90 ? 0.3880 0.2443 0.2919 0.0417 -0.0238 -0.0002 102 MET A N 1181 C CA . MET A 90 ? 0.3926 0.2379 0.2693 0.0336 -0.0268 -0.0067 102 MET A CA 1182 C C . MET A 90 ? 0.3645 0.2421 0.2866 0.0259 -0.0028 0.0078 102 MET A C 1183 O O . MET A 90 ? 0.3735 0.2386 0.2943 0.0360 -0.0102 -0.0008 102 MET A O 1184 C CB . MET A 90 ? 0.4266 0.2550 0.2601 0.0487 -0.0397 0.0051 102 MET A CB 1185 C CG . MET A 90 ? 0.4678 0.2769 0.2736 0.0616 -0.0668 -0.0030 102 MET A CG 1186 S SD . MET A 90 ? 0.5358 0.3276 0.3763 0.0517 -0.1418 -0.0100 102 MET A SD 1187 C CE . MET A 90 ? 0.5513 0.3942 0.3925 0.0409 -0.0939 -0.0430 102 MET A CE 1197 N N . ILE A 91 ? 0.3497 0.2445 0.2674 0.0138 0.0060 0.0124 103 ILE A N 1198 C CA . ILE A 91 ? 0.3161 0.2383 0.2597 -0.0025 -0.0051 0.0120 103 ILE A CA 1199 C C . ILE A 91 ? 0.3192 0.2517 0.2749 0.0055 -0.0104 0.0132 103 ILE A C 1200 O O . ILE A 91 ? 0.3082 0.2660 0.2714 0.0271 -0.0339 0.0196 103 ILE A O 1201 C CB . ILE A 91 ? 0.3584 0.2484 0.2704 0.0004 -0.0172 -0.0079 103 ILE A CB 1202 C CG1 . ILE A 91 ? 0.3641 0.2501 0.2985 -0.0082 -0.0217 -0.0202 103 ILE A CG1 1203 C CG2 . ILE A 91 ? 0.3734 0.2521 0.2838 -0.0076 -0.0273 0.0053 103 ILE A CG2 1204 C CD1 . ILE A 91 ? 0.3657 0.2588 0.2972 0.0130 0.0132 -0.0045 103 ILE A CD1 1216 N N . TRP A 92 ? 0.3153 0.2347 0.2646 -0.0024 -0.0145 -0.0021 104 TRP A N 1217 C CA . TRP A 92 ? 0.3332 0.2229 0.2520 0.0015 -0.0076 0.0328 104 TRP A CA 1218 C C . TRP A 92 ? 0.3302 0.2535 0.2653 0.0215 -0.0043 0.0177 104 TRP A C 1219 O O . TRP A 92 ? 0.3297 0.2505 0.2935 0.0241 0.0057 0.0244 104 TRP A O 1220 C CB . TRP A 92 ? 0.3455 0.2255 0.2816 -0.0193 -0.0112 0.0138 104 TRP A CB 1221 C CG . TRP A 92 ? 0.3309 0.2444 0.2761 -0.0190 -0.0265 0.0148 104 TRP A CG 1222 C CD1 . TRP A 92 ? 0.3202 0.2449 0.2777 -0.0416 -0.0314 0.0126 104 TRP A CD1 1223 C CD2 . TRP A 92 ? 0.3450 0.2389 0.2826 -0.0377 -0.0193 0.0121 104 TRP A CD2 1224 N NE1 . TRP A 92 ? 0.3445 0.2625 0.2720 -0.0281 -0.0136 0.0229 104 TRP A NE1 1225 C CE2 . TRP A 92 ? 0.3421 0.2382 0.2963 -0.0476 -0.0030 0.0243 104 TRP A CE2 1226 C CE3 . TRP A 92 ? 0.3528 0.2581 0.2852 -0.0249 -0.0354 0.0181 104 TRP A CE3 1227 C CZ2 . TRP A 92 ? 0.3343 0.2274 0.2956 -0.0855 0.0046 0.0193 104 TRP A CZ2 1228 C CZ3 . TRP A 92 ? 0.3771 0.2745 0.3000 -0.0243 -0.0124 0.0298 104 TRP A CZ3 1229 C CH2 . TRP A 92 ? 0.3669 0.2412 0.3137 -0.0308 -0.0109 0.0346 104 TRP A CH2 1240 N N . THR A 93 ? 0.3197 0.2443 0.2598 0.0294 -0.0127 0.0226 105 THR A N 1241 C CA . THR A 93 ? 0.3183 0.2421 0.2735 0.0232 -0.0174 -0.0045 105 THR A CA 1242 C C . THR A 93 ? 0.3207 0.2472 0.2921 0.0271 -0.0154 -0.0225 105 THR A C 1243 O O . THR A 93 ? 0.3414 0.2628 0.2981 0.0257 -0.0605 -0.0066 105 THR A O 1244 C CB . THR A 93 ? 0.3206 0.2479 0.2778 -0.0033 -0.0181 -0.0171 105 THR A CB 1245 O OG1 . THR A 93 ? 0.3135 0.2222 0.2833 0.0371 -0.0265 -0.0020 105 THR A OG1 1246 C CG2 . THR A 93 ? 0.3252 0.2650 0.3034 -0.0149 -0.0002 0.0031 105 THR A CG2 1254 N N . GLY A 94 ? 0.3066 0.2536 0.2944 0.0176 -0.0104 -0.0187 106 GLY A N 1255 C CA . GLY A 94 ? 0.3081 0.2770 0.3085 0.0119 -0.0228 -0.0220 106 GLY A CA 1256 C C . GLY A 94 ? 0.3188 0.2802 0.2832 0.0137 -0.0106 -0.0265 106 GLY A C 1257 O O . GLY A 94 ? 0.3204 0.2785 0.2920 0.0196 -0.0166 -0.0173 106 GLY A O 1261 N N . ASP A 95 ? 0.3148 0.2654 0.2697 0.0036 -0.0186 -0.0246 107 ASP A N 1262 C CA . ASP A 95 ? 0.3238 0.2507 0.2824 -0.0134 0.0012 -0.0302 107 ASP A CA 1263 C C . ASP A 95 ? 0.3132 0.2350 0.3181 -0.0232 0.0041 -0.0196 107 ASP A C 1264 O O . ASP A 95 ? 0.3121 0.2501 0.3396 -0.0270 0.0030 -0.0330 107 ASP A O 1265 C CB . ASP A 95 ? 0.3261 0.2500 0.2827 -0.0250 0.0060 -0.0215 107 ASP A CB 1266 C CG . ASP A 95 ? 0.3171 0.2601 0.3120 -0.0210 -0.0151 -0.0190 107 ASP A CG 1267 O OD1 . ASP A 95 ? 0.3246 0.2654 0.3128 -0.0282 -0.0095 -0.0015 107 ASP A OD1 1268 O OD2 . ASP A 95 ? 0.3513 0.2347 0.3358 -0.0157 -0.0246 -0.0308 107 ASP A OD2 1273 N N . SER A 96 ? 0.3024 0.2165 0.3115 -0.0393 -0.0019 -0.0172 108 SER A N 1274 C CA . SER A 96 ? 0.3472 0.2401 0.3000 -0.0194 -0.0169 -0.0237 108 SER A CA 1275 C C . SER A 96 ? 0.3485 0.2507 0.3242 -0.0383 -0.0084 -0.0305 108 SER A C 1276 O O . SER A 96 ? 0.3655 0.2596 0.3202 -0.0411 -0.0142 -0.0461 108 SER A O 1277 C CB . SER A 96 ? 0.3607 0.2777 0.2857 -0.0132 -0.0273 -0.0055 108 SER A CB 1278 O OG . SER A 96 ? 0.3601 0.2826 0.3265 -0.0025 -0.0287 0.0141 108 SER A OG 1284 N N . PRO A 97 ? 0.3521 0.2822 0.3181 -0.0263 -0.0281 -0.0210 109 PRO A N 1285 C CA . PRO A 97 ? 0.3461 0.2843 0.3148 -0.0397 -0.0262 -0.0322 109 PRO A CA 1286 C C . PRO A 97 ? 0.3665 0.2738 0.3200 -0.0029 -0.0341 -0.0356 109 PRO A C 1287 O O . PRO A 97 ? 0.3818 0.2474 0.3370 -0.0057 -0.0316 -0.0157 109 PRO A O 1288 C CB . PRO A 97 ? 0.3363 0.3158 0.3318 -0.0597 -0.0210 -0.0229 109 PRO A CB 1289 C CG . PRO A 97 ? 0.3371 0.2900 0.3267 -0.0740 -0.0256 -0.0528 109 PRO A CG 1290 C CD . PRO A 97 ? 0.3425 0.2802 0.3282 -0.0575 -0.0327 -0.0409 109 PRO A CD 1298 N N . PRO A 98 ? 0.3938 0.2792 0.3086 0.0096 -0.0444 -0.0330 110 PRO A N 1299 C CA . PRO A 98 ? 0.3915 0.2848 0.3133 0.0267 -0.0578 -0.0430 110 PRO A CA 1300 C C . PRO A 98 ? 0.3564 0.2997 0.3018 0.0301 -0.0500 -0.0395 110 PRO A C 1301 O O . PRO A 98 ? 0.3221 0.3133 0.2974 0.0246 -0.0278 -0.0420 110 PRO A O 1302 C CB . PRO A 98 ? 0.4125 0.2983 0.3056 0.0137 -0.0735 -0.0297 110 PRO A CB 1303 C CG . PRO A 98 ? 0.4226 0.3084 0.3295 -0.0097 -0.0668 -0.0205 110 PRO A CG 1304 C CD . PRO A 98 ? 0.4072 0.3067 0.3251 0.0140 -0.0411 -0.0309 110 PRO A CD 1312 N N . HIS A 99 ? 0.3757 0.2913 0.3144 0.0306 -0.0596 -0.0053 111 HIS A N 1313 C CA . HIS A 99 ? 0.3923 0.3021 0.3050 0.0158 -0.0800 -0.0053 111 HIS A CA 1314 C C . HIS A 99 ? 0.3876 0.3214 0.3281 -0.0040 -0.0693 -0.0207 111 HIS A C 1315 O O . HIS A 99 ? 0.3920 0.3479 0.3294 0.0103 -0.0318 0.0126 111 HIS A O 1316 C CB . HIS A 99 ? 0.4163 0.3085 0.2859 0.0172 -0.0525 -0.0211 111 HIS A CB 1317 C CG . HIS A 99 ? 0.4064 0.3215 0.3012 0.0004 -0.0542 -0.0289 111 HIS A CG 1318 N ND1 . HIS A 99 ? 0.3994 0.3398 0.2870 0.0218 -0.0714 -0.0012 111 HIS A ND1 1319 C CD2 . HIS A 99 ? 0.3917 0.3288 0.3059 -0.0246 -0.0597 -0.0246 111 HIS A CD2 1320 C CE1 . HIS A 99 ? 0.4027 0.3398 0.2806 -0.0244 -0.0618 -0.0128 111 HIS A CE1 1321 N NE2 . HIS A 99 ? 0.3957 0.3217 0.2945 -0.0465 -0.0463 -0.0072 111 HIS A NE2 1330 N N . VAL A 100 ? 0.3575 0.3254 0.3401 -0.0054 -0.0613 -0.0194 112 VAL A N 1331 C CA . VAL A 100 ? 0.3708 0.3403 0.3697 0.0011 -0.0732 -0.0410 112 VAL A CA 1332 C C . VAL A 100 ? 0.3655 0.3517 0.3741 0.0237 -0.0952 -0.0263 112 VAL A C 1333 O O . VAL A 100 ? 0.3585 0.3304 0.4032 0.0063 -0.0797 -0.0260 112 VAL A O 1334 C CB . VAL A 100 ? 0.3907 0.3441 0.4190 0.0222 -0.0618 -0.0683 112 VAL A CB 1335 C CG1 . VAL A 100 ? 0.3908 0.3599 0.4342 0.0409 -0.0837 -0.0873 112 VAL A CG1 1336 C CG2 . VAL A 100 ? 0.4012 0.3331 0.4426 0.0123 -0.0735 -0.0308 112 VAL A CG2 1346 N N . PRO A 101 ? 0.3957 0.4100 0.4093 0.0612 -0.1003 -0.0222 113 PRO A N 1347 C CA . PRO A 101 ? 0.4240 0.4434 0.4178 0.0496 -0.1076 -0.0310 113 PRO A CA 1348 C C . PRO A 101 ? 0.4140 0.4220 0.4214 0.0347 -0.0855 -0.0377 113 PRO A C 1349 O O . PRO A 101 ? 0.3911 0.4189 0.4311 0.0284 -0.0993 -0.0435 113 PRO A O 1350 C CB . PRO A 101 ? 0.4374 0.4776 0.4461 0.0890 -0.1103 -0.0113 113 PRO A CB 1351 C CG . PRO A 101 ? 0.4324 0.4673 0.4231 0.1019 -0.1224 -0.0224 113 PRO A CG 1352 C CD . PRO A 101 ? 0.4125 0.4469 0.4322 0.0916 -0.1146 -0.0166 113 PRO A CD 1360 N N . VAL A 102 ? 0.4197 0.4109 0.4313 0.0270 -0.0776 -0.0271 114 VAL A N 1361 C CA . VAL A 102 ? 0.4184 0.4243 0.4248 0.0334 -0.0838 -0.0262 114 VAL A CA 1362 C C . VAL A 102 ? 0.4061 0.4357 0.4300 0.0491 -0.0904 -0.0048 114 VAL A C 1363 O O . VAL A 102 ? 0.3950 0.4329 0.4171 0.0488 -0.0485 -0.0216 114 VAL A O 1364 C CB . VAL A 102 ? 0.4170 0.4237 0.4412 0.0316 -0.0983 -0.0550 114 VAL A CB 1365 C CG1 . VAL A 102 ? 0.4227 0.4068 0.4125 0.0309 -0.1173 -0.0635 114 VAL A CG1 1366 C CG2 . VAL A 102 ? 0.4363 0.4513 0.4866 0.0280 -0.1169 -0.0780 114 VAL A CG2 1376 N N . PRO A 103 ? 0.4137 0.4492 0.4604 0.0486 -0.0904 -0.0019 115 PRO A N 1377 C CA . PRO A 103 ? 0.3960 0.4425 0.4644 0.0355 -0.0992 -0.0128 115 PRO A CA 1378 C C . PRO A 103 ? 0.3810 0.4444 0.4646 0.0175 -0.0953 0.0115 115 PRO A C 1379 O O . PRO A 103 ? 0.3566 0.4512 0.4895 0.0005 -0.0617 0.0349 115 PRO A O 1380 C CB . PRO A 103 ? 0.3941 0.4400 0.5081 0.0432 -0.1039 -0.0086 115 PRO A CB 1381 C CG . PRO A 103 ? 0.4093 0.4441 0.5255 0.0569 -0.0827 0.0060 115 PRO A CG 1382 C CD . PRO A 103 ? 0.4070 0.4339 0.4920 0.0600 -0.0856 0.0211 115 PRO A CD 1390 N N . GLU A 104 ? 0.3821 0.4321 0.4089 0.0144 -0.0951 -0.0080 116 GLU A N 1391 C CA . GLU A 104 ? 0.4104 0.4484 0.4198 -0.0051 -0.0897 -0.0015 116 GLU A CA 1392 C C . GLU A 104 ? 0.4031 0.4395 0.4138 -0.0112 -0.0817 -0.0023 116 GLU A C 1393 O O . GLU A 104 ? 0.4269 0.4611 0.4214 -0.0171 -0.0801 -0.0159 116 GLU A O 1394 C CB . GLU A 104 ? 0.4610 0.4672 0.4379 -0.0024 -0.0601 0.0034 116 GLU A CB 1395 C CG . GLU A 104 ? 0.5240 0.5274 0.4841 0.0009 -0.0458 0.0094 116 GLU A CG 1396 C CD . GLU A 104 ? 0.6087 0.5842 0.5592 0.0190 -0.0387 0.0288 116 GLU A CD 1397 O OE1 . GLU A 104 ? 0.6330 0.5984 0.5983 0.0373 -0.0424 0.0245 116 GLU A OE1 1398 O OE2 . GLU A 104 ? 0.6459 0.6176 0.5751 0.0026 -0.0246 0.0444 116 GLU A OE2 1405 N N . LEU A 105 ? 0.3857 0.4379 0.4225 0.0041 -0.0767 -0.0034 117 LEU A N 1406 C CA . LEU A 105 ? 0.3587 0.4226 0.4087 0.0207 -0.0780 -0.0188 117 LEU A CA 1407 C C . LEU A 105 ? 0.3422 0.4418 0.3942 0.0355 -0.0783 -0.0277 117 LEU A C 1408 O O . LEU A 105 ? 0.3450 0.4814 0.4094 0.0440 -0.0780 -0.0395 117 LEU A O 1409 C CB . LEU A 105 ? 0.3764 0.4206 0.4207 0.0279 -0.0556 -0.0403 117 LEU A CB 1410 C CG . LEU A 105 ? 0.3833 0.4523 0.4370 0.0231 -0.0211 -0.0256 117 LEU A CG 1411 C CD1 . LEU A 105 ? 0.4049 0.4762 0.4387 0.0029 0.0124 -0.0256 117 LEU A CD1 1412 C CD2 . LEU A 105 ? 0.3965 0.4623 0.4468 0.0354 -0.0119 -0.0118 117 LEU A CD2 1424 N N . SER A 106 ? 0.3304 0.4281 0.3882 0.0105 -0.0751 -0.0344 118 SER A N 1425 C CA . SER A 106 ? 0.3279 0.4302 0.3908 0.0057 -0.0356 -0.0293 118 SER A CA 1426 C C . SER A 106 ? 0.3149 0.4178 0.3644 0.0087 -0.0293 -0.0212 118 SER A C 1427 O O . SER A 106 ? 0.3053 0.4102 0.3958 0.0143 -0.0339 -0.0126 118 SER A O 1428 C CB . SER A 106 ? 0.3552 0.4553 0.4182 -0.0033 -0.0401 -0.0140 118 SER A CB 1429 O OG . SER A 106 ? 0.3508 0.4515 0.4307 -0.0194 -0.0471 -0.0095 118 SER A OG 1435 N N . THR A 107 ? 0.3223 0.4362 0.3437 0.0037 -0.0508 -0.0212 119 THR A N 1436 C CA . THR A 107 ? 0.3356 0.4441 0.3744 -0.0018 -0.0445 -0.0024 119 THR A CA 1437 C C . THR A 107 ? 0.3082 0.4328 0.3834 -0.0090 -0.0400 0.0005 119 THR A C 1438 O O . THR A 107 ? 0.3033 0.4113 0.3899 0.0052 -0.0445 0.0218 119 THR A O 1439 C CB . THR A 107 ? 0.3851 0.4519 0.4410 -0.0354 -0.0254 -0.0199 119 THR A CB 1440 O OG1 . THR A 107 ? 0.4187 0.4578 0.4595 -0.0359 0.0112 -0.0521 119 THR A OG1 1441 C CG2 . THR A 107 ? 0.3850 0.4557 0.4717 -0.0475 -0.0148 -0.0189 119 THR A CG2 1449 N N . GLY A 108 ? 0.3192 0.4451 0.4175 -0.0141 -0.0195 -0.0180 120 GLY A N 1450 C CA . GLY A 108 ? 0.3528 0.4469 0.4534 -0.0410 -0.0261 -0.0219 120 GLY A CA 1451 C C . GLY A 108 ? 0.3611 0.4145 0.4433 -0.0417 -0.0034 -0.0158 120 GLY A C 1452 O O . GLY A 108 ? 0.3818 0.3986 0.4551 -0.0570 0.0101 -0.0329 120 GLY A O 1456 N N . THR A 109 ? 0.3665 0.4085 0.4157 -0.0132 -0.0081 -0.0187 121 THR A N 1457 C CA . THR A 109 ? 0.3457 0.3970 0.4023 0.0008 0.0017 0.0017 121 THR A CA 1458 C C . THR A 109 ? 0.3264 0.3665 0.3843 0.0003 -0.0083 -0.0029 121 THR A C 1459 O O . THR A 109 ? 0.3152 0.3440 0.4008 0.0148 0.0032 -0.0021 121 THR A O 1460 C CB . THR A 109 ? 0.3656 0.4336 0.4237 0.0309 -0.0215 -0.0123 121 THR A CB 1461 O OG1 . THR A 109 ? 0.3672 0.4587 0.4657 0.0418 -0.0197 -0.0244 121 THR A OG1 1462 C CG2 . THR A 109 ? 0.3863 0.4229 0.4070 0.0308 -0.0238 -0.0080 121 THR A CG2 1470 N N . VAL A 110 ? 0.3236 0.3570 0.3883 -0.0120 -0.0199 -0.0060 122 VAL A N 1471 C CA . VAL A 110 ? 0.3288 0.3490 0.3654 -0.0307 -0.0152 -0.0065 122 VAL A CA 1472 C C . VAL A 110 ? 0.3526 0.3439 0.3705 -0.0403 -0.0031 -0.0116 122 VAL A C 1473 O O . VAL A 110 ? 0.3506 0.3535 0.3667 -0.0473 -0.0013 -0.0302 122 VAL A O 1474 C CB . VAL A 110 ? 0.3355 0.3473 0.3673 -0.0326 -0.0349 0.0077 122 VAL A CB 1475 C CG1 . VAL A 110 ? 0.3215 0.3527 0.3951 -0.0224 -0.0333 0.0207 122 VAL A CG1 1476 C CG2 . VAL A 110 ? 0.3887 0.3539 0.3799 -0.0370 -0.0221 -0.0282 122 VAL A CG2 1486 N N . ILE A 111 ? 0.3672 0.3361 0.3560 -0.0251 -0.0086 -0.0039 123 ILE A N 1487 C CA . ILE A 111 ? 0.3758 0.3623 0.3512 -0.0197 -0.0364 -0.0006 123 ILE A CA 1488 C C . ILE A 111 ? 0.3911 0.3555 0.3394 -0.0423 -0.0203 -0.0053 123 ILE A C 1489 O O . ILE A 111 ? 0.4171 0.3458 0.3457 -0.0553 -0.0147 -0.0103 123 ILE A O 1490 C CB . ILE A 111 ? 0.3721 0.3979 0.3740 -0.0123 -0.0256 0.0176 123 ILE A CB 1491 C CG1 . ILE A 111 ? 0.3634 0.4196 0.3644 0.0003 -0.0004 -0.0245 123 ILE A CG1 1492 C CG2 . ILE A 111 ? 0.3863 0.4060 0.4087 -0.0148 -0.0040 0.0358 123 ILE A CG2 1493 C CD1 . ILE A 111 ? 0.3773 0.4358 0.4061 0.0105 0.0342 -0.0428 123 ILE A CD1 1505 N N . LYS A 112 ? 0.3980 0.3734 0.3435 -0.0422 -0.0041 0.0031 124 LYS A N 1506 C CA . LYS A 112 ? 0.3910 0.3633 0.3492 -0.0328 -0.0223 0.0111 124 LYS A CA 1507 C C . LYS A 112 ? 0.3717 0.3282 0.3416 -0.0127 -0.0284 -0.0006 124 LYS A C 1508 O O . LYS A 112 ? 0.3764 0.3283 0.3835 -0.0194 -0.0271 -0.0057 124 LYS A O 1509 C CB . LYS A 112 ? 0.4072 0.3866 0.3891 -0.0483 -0.0363 0.0046 124 LYS A CB 1510 C CG . LYS A 112 ? 0.4365 0.4225 0.4521 -0.0643 -0.0436 -0.0054 124 LYS A CG 1511 C CD . LYS A 112 ? 0.4712 0.4630 0.4869 -0.0624 -0.0478 -0.0207 124 LYS A CD 1512 C CE . LYS A 112 ? 0.5110 0.5021 0.5264 -0.0427 -0.0623 -0.0525 124 LYS A CE 1513 N NZ . LYS A 112 ? 0.5519 0.5253 0.5730 -0.0187 -0.0807 -0.0633 124 LYS A NZ 1527 N N . VAL A 113 ? 0.3465 0.2908 0.3296 -0.0019 -0.0070 -0.0157 125 VAL A N 1528 C CA . VAL A 113 ? 0.3606 0.2991 0.3068 0.0006 0.0156 -0.0172 125 VAL A CA 1529 C C . VAL A 113 ? 0.3693 0.2781 0.2917 -0.0198 0.0141 -0.0240 125 VAL A C 1530 O O . VAL A 113 ? 0.3850 0.2774 0.2942 -0.0204 -0.0086 -0.0160 125 VAL A O 1531 C CB . VAL A 113 ? 0.3499 0.3378 0.3298 0.0046 -0.0037 -0.0005 125 VAL A CB 1532 C CG1 . VAL A 113 ? 0.3734 0.3601 0.3474 0.0251 -0.0212 0.0151 125 VAL A CG1 1533 C CG2 . VAL A 113 ? 0.3444 0.3479 0.3470 0.0091 -0.0114 0.0226 125 VAL A CG2 1543 N N . ILE A 114 ? 0.3764 0.2818 0.3120 -0.0621 0.0040 -0.0296 126 ILE A N 1544 C CA . ILE A 114 ? 0.3418 0.2692 0.2983 -0.0490 -0.0294 -0.0252 126 ILE A CA 1545 C C . ILE A 114 ? 0.3491 0.2807 0.3013 -0.0306 -0.0257 0.0042 126 ILE A C 1546 O O . ILE A 114 ? 0.3365 0.2767 0.2972 -0.0233 -0.0150 -0.0083 126 ILE A O 1547 C CB . ILE A 114 ? 0.3322 0.2617 0.3270 -0.0593 -0.0377 -0.0290 126 ILE A CB 1548 C CG1 . ILE A 114 ? 0.3251 0.2790 0.3559 -0.0302 -0.0621 -0.0117 126 ILE A CG1 1549 C CG2 . ILE A 114 ? 0.3516 0.2671 0.3614 -0.0554 -0.0243 -0.0134 126 ILE A CG2 1550 C CD1 . ILE A 114 ? 0.3407 0.2834 0.3520 -0.0310 -0.0288 0.0332 126 ILE A CD1 1562 N N . THR A 115 ? 0.3665 0.2835 0.3299 -0.0297 -0.0149 -0.0025 127 THR A N 1563 C CA . THR A 115 ? 0.3896 0.2872 0.3606 -0.0438 -0.0070 -0.0070 127 THR A CA 1564 C C . THR A 115 ? 0.4162 0.3003 0.3357 -0.0367 -0.0100 -0.0088 127 THR A C 1565 O O . THR A 115 ? 0.4297 0.2748 0.3362 -0.0259 0.0007 0.0182 127 THR A O 1566 C CB . THR A 115 ? 0.3883 0.3099 0.3715 -0.0233 0.0155 -0.0097 127 THR A CB 1567 O OG1 . THR A 115 ? 0.3735 0.2990 0.3918 -0.0230 0.0048 -0.0055 127 THR A OG1 1568 C CG2 . THR A 115 ? 0.4172 0.3465 0.3668 -0.0472 0.0406 0.0070 127 THR A CG2 1576 N N . ASN A 116 ? 0.4210 0.3029 0.3286 -0.0391 -0.0431 -0.0392 128 ASN A N 1577 C CA . ASN A 116 ? 0.4485 0.3065 0.3193 -0.0496 -0.0437 -0.0262 128 ASN A CA 1578 C C . ASN A 116 ? 0.4274 0.2805 0.3243 -0.0236 -0.0306 -0.0218 128 ASN A C 1579 O O . ASN A 116 ? 0.4590 0.2673 0.3412 -0.0476 -0.0254 -0.0093 128 ASN A O 1580 C CB . ASN A 116 ? 0.4681 0.3206 0.3000 -0.0655 -0.0525 -0.0443 128 ASN A CB 1581 C CG . ASN A 116 ? 0.5023 0.3842 0.3429 -0.0563 -0.0372 -0.0525 128 ASN A CG 1582 O OD1 . ASN A 116 ? 0.4760 0.3872 0.3368 -0.0618 -0.0301 -0.0617 128 ASN A OD1 1583 N ND2 . ASN A 116 ? 0.5309 0.4406 0.3855 -0.0659 -0.0395 -0.0929 128 ASN A ND2 1589 N N . MET A 117 ? 0.3903 0.2703 0.3339 -0.0069 -0.0271 -0.0181 129 MET A N 1590 C CA . MET A 117 ? 0.3893 0.2859 0.3283 -0.0070 -0.0250 -0.0012 129 MET A CA 1591 C C . MET A 117 ? 0.3946 0.2660 0.3111 -0.0107 -0.0423 0.0167 129 MET A C 1592 O O . MET A 117 ? 0.4169 0.2583 0.3341 -0.0337 -0.0441 0.0257 129 MET A O 1593 C CB . MET A 117 ? 0.3952 0.2811 0.2983 0.0013 -0.0150 0.0025 129 MET A CB 1594 C CG . MET A 117 ? 0.4158 0.2924 0.3077 -0.0199 -0.0029 -0.0156 129 MET A CG 1595 S SD . MET A 117 ? 0.4104 0.2961 0.3382 -0.0114 0.0091 -0.0140 129 MET A SD 1596 C CE . MET A 117 ? 0.4358 0.3177 0.3260 -0.0392 -0.0028 0.0037 129 MET A CE 1606 N N . THR A 118 ? 0.3848 0.2657 0.2940 -0.0313 -0.0349 0.0115 130 THR A N 1607 C CA . THR A 118 ? 0.4004 0.2661 0.3050 -0.0096 -0.0160 0.0222 130 THR A CA 1608 C C . THR A 118 ? 0.4112 0.2751 0.3042 -0.0348 -0.0046 0.0041 130 THR A C 1609 O O . THR A 118 ? 0.4264 0.2704 0.2974 -0.0246 -0.0045 0.0031 130 THR A O 1610 C CB . THR A 118 ? 0.4180 0.2271 0.3027 0.0079 0.0020 0.0196 130 THR A CB 1611 O OG1 . THR A 118 ? 0.4243 0.2419 0.3054 -0.0105 -0.0027 0.0417 130 THR A OG1 1612 C CG2 . THR A 118 ? 0.4424 0.2226 0.3290 0.0138 0.0350 0.0065 130 THR A CG2 1620 N N . MET A 119 ? 0.4518 0.3031 0.3243 -0.0315 -0.0196 -0.0029 131 MET A N 1621 C CA . MET A 119 ? 0.4752 0.3040 0.3297 -0.0533 -0.0158 0.0147 131 MET A CA 1622 C C . MET A 119 ? 0.4707 0.2889 0.3535 -0.0611 0.0063 0.0091 131 MET A C 1623 O O . MET A 119 ? 0.5022 0.2955 0.3835 -0.0849 0.0203 0.0082 131 MET A O 1624 C CB . MET A 119 ? 0.4970 0.3364 0.3330 -0.0614 -0.0155 0.0052 131 MET A CB 1625 C CG . MET A 119 ? 0.5707 0.4302 0.3383 -0.0399 -0.0092 -0.0014 131 MET A CG 1626 S SD . MET A 119 ? 0.6388 0.5544 0.4158 0.0067 0.0184 0.0191 131 MET A SD 1627 C CE . MET A 119 ? 0.6707 0.5698 0.4399 -0.0061 0.0246 0.0622 131 MET A CE 1637 N N . THR A 120 ? 0.4493 0.2645 0.3218 -0.0595 0.0069 -0.0139 132 THR A N 1638 C CA . THR A 120 ? 0.4572 0.2786 0.3213 -0.0298 -0.0013 -0.0029 132 THR A CA 1639 C C . THR A 120 ? 0.4680 0.2786 0.3239 -0.0051 0.0086 0.0035 132 THR A C 1640 O O . THR A 120 ? 0.4987 0.2922 0.3289 0.0052 -0.0097 0.0147 132 THR A O 1641 C CB . THR A 120 ? 0.4506 0.2840 0.3230 -0.0013 -0.0130 -0.0225 132 THR A CB 1642 O OG1 . THR A 120 ? 0.4259 0.2845 0.3662 -0.0118 -0.0155 -0.0503 132 THR A OG1 1643 C CG2 . THR A 120 ? 0.4629 0.2862 0.3051 0.0098 -0.0114 -0.0304 132 THR A CG2 1651 N N . VAL A 121 ? 0.4330 0.2656 0.2893 -0.0286 0.0146 0.0181 133 VAL A N 1652 C CA . VAL A 121 ? 0.4277 0.2608 0.2894 -0.0301 0.0100 0.0228 133 VAL A CA 1653 C C . VAL A 121 ? 0.4428 0.2580 0.3170 -0.0339 0.0005 0.0052 133 VAL A C 1654 O O . VAL A 121 ? 0.4520 0.2483 0.3265 -0.0162 -0.0090 0.0044 133 VAL A O 1655 C CB . VAL A 121 ? 0.4150 0.2439 0.3082 -0.0039 0.0021 0.0227 133 VAL A CB 1656 C CG1 . VAL A 121 ? 0.4256 0.2356 0.3312 0.0073 -0.0172 0.0351 133 VAL A CG1 1657 C CG2 . VAL A 121 ? 0.3879 0.2757 0.3336 0.0154 -0.0009 0.0343 133 VAL A CG2 1667 N N . GLN A 122 ? 0.4573 0.2788 0.3162 -0.0222 -0.0084 0.0133 134 GLN A N 1668 C CA . GLN A 122 ? 0.4840 0.2746 0.3395 -0.0372 -0.0290 0.0283 134 GLN A CA 1669 C C . GLN A 122 ? 0.5110 0.2846 0.3170 -0.0550 -0.0360 0.0199 134 GLN A C 1670 O O . GLN A 122 ? 0.5128 0.2774 0.3420 -0.0508 -0.0092 0.0308 134 GLN A O 1671 C CB . GLN A 122 ? 0.4640 0.2560 0.3452 -0.0510 -0.0377 0.0341 134 GLN A CB 1672 C CG . GLN A 122 ? 0.4636 0.2596 0.3481 -0.0666 -0.0509 0.0233 134 GLN A CG 1673 C CD . GLN A 122 ? 0.4686 0.3103 0.3756 -0.0826 -0.0260 0.0199 134 GLN A CD 1674 O OE1 . GLN A 122 ? 0.4835 0.3577 0.4510 -0.0836 -0.0038 -0.0071 134 GLN A OE1 1675 N NE2 . GLN A 122 ? 0.4748 0.3302 0.3379 -0.0470 -0.0018 -0.0074 134 GLN A NE2 1684 N N . ASN A 123 ? 0.5615 0.3123 0.3372 -0.0601 -0.0324 0.0087 135 ASN A N 1685 C CA . ASN A 123 ? 0.5789 0.3047 0.3363 -0.0510 -0.0333 0.0191 135 ASN A CA 1686 C C . ASN A 123 ? 0.5891 0.2954 0.3510 -0.0264 -0.0300 0.0124 135 ASN A C 1687 O O . ASN A 123 ? 0.5789 0.2910 0.3867 -0.0209 -0.0312 0.0455 135 ASN A O 1688 C CB . ASN A 123 ? 0.5941 0.3421 0.3375 -0.0508 -0.0438 0.0320 135 ASN A CB 1689 C CG . ASN A 123 ? 0.6127 0.3815 0.3781 -0.0779 -0.0286 0.0199 135 ASN A CG 1690 O OD1 . ASN A 123 ? 0.6198 0.4092 0.4261 -0.1178 -0.0121 -0.0027 135 ASN A OD1 1691 N ND2 . ASN A 123 ? 0.6111 0.4052 0.4066 -0.0794 -0.0297 0.0099 135 ASN A ND2 1698 N N . LEU A 124 ? 0.5992 0.2939 0.3292 -0.0019 -0.0220 -0.0010 136 LEU A N 1699 C CA . LEU A 124 ? 0.6185 0.2899 0.3484 0.0109 -0.0141 0.0068 136 LEU A CA 1700 C C . LEU A 124 ? 0.5893 0.2897 0.3663 0.0204 -0.0176 0.0178 136 LEU A C 1701 O O . LEU A 124 ? 0.6015 0.2989 0.3946 0.0234 -0.0429 -0.0026 136 LEU A O 1702 C CB . LEU A 124 ? 0.6660 0.2803 0.3675 0.0180 0.0005 0.0040 136 LEU A CB 1703 C CG . LEU A 124 ? 0.7237 0.3006 0.3967 0.0172 0.0077 0.0267 136 LEU A CG 1704 C CD1 . LEU A 124 ? 0.7341 0.3189 0.3756 -0.0170 0.0102 0.0110 136 LEU A CD1 1705 C CD2 . LEU A 124 ? 0.7457 0.3000 0.4062 0.0326 0.0301 0.0388 136 LEU A CD2 1717 N N . PHE A 125 ? 0.5601 0.2791 0.3177 0.0075 0.0017 0.0105 137 PHE A N 1718 C CA . PHE A 125 ? 0.5437 0.2632 0.3189 0.0067 0.0152 -0.0061 137 PHE A CA 1719 C C . PHE A 125 ? 0.5627 0.2406 0.3295 -0.0075 0.0102 -0.0016 137 PHE A C 1720 O O . PHE A 125 ? 0.5731 0.2453 0.3249 0.0063 0.0077 0.0038 137 PHE A O 1721 C CB . PHE A 125 ? 0.5139 0.2840 0.3165 0.0369 0.0142 -0.0137 137 PHE A CB 1722 C CG . PHE A 125 ? 0.5036 0.3166 0.3253 0.0214 0.0043 -0.0359 137 PHE A CG 1723 C CD1 . PHE A 125 ? 0.5152 0.3366 0.3324 0.0416 0.0021 -0.0374 137 PHE A CD1 1724 C CD2 . PHE A 125 ? 0.5063 0.3255 0.3059 0.0042 -0.0074 -0.0256 137 PHE A CD2 1725 C CE1 . PHE A 125 ? 0.5130 0.3510 0.3092 0.0185 -0.0336 -0.0235 137 PHE A CE1 1726 C CE2 . PHE A 125 ? 0.5026 0.3451 0.3001 -0.0045 -0.0298 -0.0295 137 PHE A CE2 1727 C CZ . PHE A 125 ? 0.5085 0.3475 0.3127 0.0023 -0.0364 -0.0193 137 PHE A CZ 1737 N N . PRO A 126 ? 0.5703 0.2450 0.3399 -0.0311 -0.0241 0.0045 138 PRO A N 1738 C CA . PRO A 126 ? 0.5598 0.2528 0.3453 -0.0385 -0.0154 0.0106 138 PRO A CA 1739 C C . PRO A 126 ? 0.5515 0.2619 0.3254 -0.0270 -0.0235 0.0193 138 PRO A C 1740 O O . PRO A 126 ? 0.5449 0.2977 0.3172 -0.0087 -0.0231 0.0102 138 PRO A O 1741 C CB . PRO A 126 ? 0.5748 0.2519 0.3536 -0.0277 -0.0371 0.0185 138 PRO A CB 1742 C CG . PRO A 126 ? 0.5918 0.2621 0.3843 -0.0198 -0.0263 -0.0092 138 PRO A CG 1743 C CD . PRO A 126 ? 0.5804 0.2415 0.3540 -0.0202 -0.0313 -0.0046 138 PRO A CD 1751 N N . ASN A 127 ? 0.5418 0.2626 0.3392 -0.0147 -0.0315 0.0226 139 ASN A N 1752 C CA . ASN A 127 ? 0.5401 0.2837 0.3815 0.0001 -0.0181 0.0405 139 ASN A CA 1753 C C . ASN A 127 ? 0.5039 0.2907 0.3567 0.0262 -0.0296 0.0602 139 ASN A C 1754 O O . ASN A 127 ? 0.4929 0.3306 0.3843 0.0293 -0.0665 0.0561 139 ASN A O 1755 C CB . ASN A 127 ? 0.5718 0.3002 0.4163 0.0027 -0.0074 0.0202 139 ASN A CB 1756 C CG . ASN A 127 ? 0.6164 0.3311 0.4406 0.0055 0.0161 0.0346 139 ASN A CG 1757 O OD1 . ASN A 127 ? 0.6145 0.3765 0.4346 -0.0039 -0.0130 0.0488 139 ASN A OD1 1758 N ND2 . ASN A 127 ? 0.6586 0.3181 0.4860 0.0026 0.0249 0.0265 139 ASN A ND2 1765 N N . LEU A 128 ? 0.4880 0.2792 0.3024 0.0495 -0.0195 0.0445 140 LEU A N 1766 C CA . LEU A 128 ? 0.4870 0.2519 0.3174 0.0359 0.0111 0.0202 140 LEU A CA 1767 C C . LEU A 128 ? 0.4686 0.2568 0.3123 0.0018 0.0065 0.0115 140 LEU A C 1768 O O . LEU A 128 ? 0.4609 0.2509 0.3169 -0.0144 0.0035 0.0283 140 LEU A O 1769 C CB . LEU A 128 ? 0.5073 0.2376 0.3279 0.0310 0.0276 0.0235 140 LEU A CB 1770 C CG . LEU A 128 ? 0.5283 0.2562 0.3349 0.0327 0.0481 0.0111 140 LEU A CG 1771 C CD1 . LEU A 128 ? 0.5261 0.2668 0.3656 0.0089 0.0639 0.0222 140 LEU A CD1 1772 C CD2 . LEU A 128 ? 0.5531 0.2589 0.3287 0.0571 0.0365 -0.0012 140 LEU A CD2 1784 N N . GLN A 129 ? 0.4460 0.2566 0.3126 -0.0085 0.0058 0.0145 141 GLN A N 1785 C CA . GLN A 129 ? 0.4193 0.2517 0.2712 0.0095 -0.0001 0.0312 141 GLN A CA 1786 C C . GLN A 129 ? 0.4018 0.2990 0.2627 0.0306 -0.0155 0.0199 141 GLN A C 1787 O O . GLN A 129 ? 0.4127 0.3205 0.2613 0.0374 0.0060 0.0208 141 GLN A O 1788 C CB . GLN A 129 ? 0.4165 0.2340 0.2564 0.0295 -0.0159 0.0385 141 GLN A CB 1789 C CG . GLN A 129 ? 0.4383 0.2291 0.2739 0.0388 -0.0007 0.0152 141 GLN A CG 1790 C CD . GLN A 129 ? 0.4597 0.2567 0.2714 0.0426 0.0028 0.0262 141 GLN A CD 1791 O OE1 . GLN A 129 ? 0.4545 0.3028 0.2759 0.0467 -0.0140 0.0041 141 GLN A OE1 1792 N NE2 . GLN A 129 ? 0.4792 0.2421 0.2416 0.0357 0.0288 0.0254 141 GLN A NE2 1801 N N . VAL A 130 ? 0.3613 0.3005 0.2683 0.0372 -0.0055 0.0253 142 VAL A N 1802 C CA . VAL A 130 ? 0.3648 0.2854 0.2427 0.0151 0.0052 0.0146 142 VAL A CA 1803 C C . VAL A 130 ? 0.3723 0.2659 0.2361 0.0074 0.0014 0.0033 142 VAL A C 1804 O O . VAL A 130 ? 0.3738 0.2391 0.2708 0.0470 0.0281 0.0060 142 VAL A O 1805 C CB . VAL A 130 ? 0.3641 0.2554 0.2543 0.0310 -0.0084 0.0065 142 VAL A CB 1806 C CG1 . VAL A 130 ? 0.3619 0.2494 0.2757 0.0356 -0.0075 0.0027 142 VAL A CG1 1807 C CG2 . VAL A 130 ? 0.4212 0.2671 0.2907 0.0132 0.0014 0.0061 142 VAL A CG2 1817 N N . PHE A 131 ? 0.3687 0.2547 0.2461 -0.0038 -0.0112 -0.0021 143 PHE A N 1818 C CA . PHE A 131 ? 0.3494 0.2472 0.2440 0.0003 -0.0058 0.0122 143 PHE A CA 1819 C C . PHE A 131 ? 0.3606 0.2417 0.2568 -0.0032 -0.0161 0.0055 143 PHE A C 1820 O O . PHE A 131 ? 0.3630 0.2473 0.2349 0.0136 -0.0087 0.0162 143 PHE A O 1821 C CB . PHE A 131 ? 0.3527 0.2506 0.2344 0.0196 -0.0094 0.0204 143 PHE A CB 1822 C CG . PHE A 131 ? 0.3645 0.2320 0.2431 0.0508 -0.0037 0.0139 143 PHE A CG 1823 C CD1 . PHE A 131 ? 0.3711 0.2568 0.2539 0.0485 -0.0396 -0.0037 143 PHE A CD1 1824 C CD2 . PHE A 131 ? 0.3844 0.2534 0.2484 0.0593 0.0178 0.0231 143 PHE A CD2 1825 C CE1 . PHE A 131 ? 0.3677 0.2722 0.2800 0.0469 -0.0136 -0.0142 143 PHE A CE1 1826 C CE2 . PHE A 131 ? 0.3899 0.2666 0.2463 0.0570 0.0090 -0.0209 143 PHE A CE2 1827 C CZ . PHE A 131 ? 0.3805 0.2603 0.2752 0.0504 0.0034 -0.0248 143 PHE A CZ 1837 N N . PRO A 132 ? 0.3606 0.2034 0.2656 0.0020 -0.0058 0.0156 144 PRO A N 1838 C CA . PRO A 132 ? 0.3708 0.2237 0.2651 0.0175 -0.0177 -0.0176 144 PRO A CA 1839 C C . PRO A 132 ? 0.3643 0.2190 0.2383 0.0275 -0.0270 -0.0065 144 PRO A C 1840 O O . PRO A 132 ? 0.3546 0.2279 0.2291 0.0290 -0.0319 -0.0227 144 PRO A O 1841 C CB . PRO A 132 ? 0.3716 0.1986 0.2712 -0.0045 -0.0156 -0.0111 144 PRO A CB 1842 C CG . PRO A 132 ? 0.3647 0.1972 0.2859 -0.0124 0.0035 0.0051 144 PRO A CG 1843 C CD . PRO A 132 ? 0.3761 0.2111 0.2549 -0.0261 -0.0090 0.0461 144 PRO A CD 1851 N N . ALA A 133 ? 0.3484 0.2172 0.2663 0.0237 -0.0242 0.0106 145 ALA A N 1852 C CA . ALA A 133 ? 0.3550 0.2187 0.2730 0.0244 -0.0082 0.0135 145 ALA A CA 1853 C C . ALA A 133 ? 0.3325 0.2305 0.2865 0.0162 -0.0255 -0.0136 145 ALA A C 1854 O O . ALA A 133 ? 0.3438 0.2781 0.2858 0.0586 -0.0063 -0.0145 145 ALA A O 1855 C CB . ALA A 133 ? 0.3691 0.2356 0.2958 0.0339 -0.0427 0.0013 145 ALA A CB 1861 N N . LEU A 134 ? 0.3244 0.2433 0.2736 0.0067 0.0017 0.0012 146 LEU A N 1862 C CA . LEU A 134 ? 0.3271 0.2535 0.2602 -0.0001 0.0148 -0.0060 146 LEU A CA 1863 C C . LEU A 134 ? 0.3232 0.2350 0.2642 -0.0013 0.0017 0.0119 146 LEU A C 1864 O O . LEU A 134 ? 0.3179 0.2437 0.2752 0.0028 0.0148 0.0233 146 LEU A O 1865 C CB . LEU A 134 ? 0.3107 0.2600 0.2783 -0.0203 0.0205 -0.0027 146 LEU A CB 1866 C CG . LEU A 134 ? 0.3264 0.2820 0.2947 -0.0226 0.0153 0.0095 146 LEU A CG 1867 C CD1 . LEU A 134 ? 0.3330 0.2900 0.3313 -0.0375 0.0182 0.0124 146 LEU A CD1 1868 C CD2 . LEU A 134 ? 0.3393 0.2747 0.3056 -0.0223 0.0294 -0.0132 146 LEU A CD2 1880 N N . GLY A 135 ? 0.3356 0.2521 0.2506 -0.0130 -0.0139 0.0105 147 GLY A N 1881 C CA . GLY A 135 ? 0.3414 0.2592 0.2544 -0.0046 -0.0125 0.0003 147 GLY A CA 1882 C C . GLY A 135 ? 0.3327 0.2429 0.2696 0.0203 -0.0092 -0.0130 147 GLY A C 1883 O O . GLY A 135 ? 0.3048 0.2649 0.2978 -0.0088 -0.0134 -0.0161 147 GLY A O 1887 N N . ASN A 136 ? 0.3296 0.2249 0.2565 0.0478 -0.0052 -0.0111 148 ASN A N 1888 C CA . ASN A 136 ? 0.3249 0.2555 0.2697 0.0322 -0.0089 -0.0213 148 ASN A CA 1889 C C . ASN A 136 ? 0.3302 0.2730 0.2688 0.0200 -0.0191 -0.0197 148 ASN A C 1890 O O . ASN A 136 ? 0.3515 0.3035 0.3038 0.0102 -0.0264 -0.0310 148 ASN A O 1891 C CB . ASN A 136 ? 0.3236 0.2523 0.3042 0.0055 -0.0559 -0.0557 148 ASN A CB 1892 C CG . ASN A 136 ? 0.3088 0.2576 0.3139 0.0214 -0.0490 -0.0351 148 ASN A CG 1893 O OD1 . ASN A 136 ? 0.3188 0.2691 0.3133 0.0319 0.0023 -0.0255 148 ASN A OD1 1894 N ND2 . ASN A 136 ? 0.3382 0.2690 0.3407 0.0133 -0.0503 -0.0602 148 ASN A ND2 1901 N N . HIS A 137 ? 0.3171 0.2703 0.2788 0.0083 -0.0433 -0.0460 149 HIS A N 1902 C CA . HIS A 137 ? 0.3019 0.2607 0.2994 0.0055 -0.0299 -0.0252 149 HIS A CA 1903 C C . HIS A 137 ? 0.2942 0.2820 0.3243 0.0184 -0.0241 0.0037 149 HIS A C 1904 O O . HIS A 137 ? 0.3116 0.2891 0.3358 0.0123 -0.0191 -0.0095 149 HIS A O 1905 C CB . HIS A 137 ? 0.3098 0.2603 0.3158 0.0077 -0.0107 -0.0024 149 HIS A CB 1906 C CG . HIS A 137 ? 0.3278 0.2888 0.2918 0.0068 -0.0240 -0.0062 149 HIS A CG 1907 N ND1 . HIS A 137 ? 0.3580 0.2865 0.2734 0.0109 -0.0327 0.0121 149 HIS A ND1 1908 C CD2 . HIS A 137 ? 0.3081 0.2760 0.2927 0.0123 -0.0011 -0.0054 149 HIS A CD2 1909 C CE1 . HIS A 137 ? 0.3437 0.3207 0.2839 0.0114 -0.0133 0.0308 149 HIS A CE1 1910 N NE2 . HIS A 137 ? 0.3223 0.2982 0.3088 0.0065 -0.0062 0.0018 149 HIS A NE2 1919 N N . ASP A 138 ? 0.2810 0.2812 0.3274 0.0167 0.0003 0.0005 150 ASP A N 1920 C CA . ASP A 138 ? 0.2814 0.2866 0.3127 -0.0195 0.0008 0.0036 150 ASP A CA 1921 C C . ASP A 138 ? 0.3167 0.2885 0.3160 -0.0168 -0.0090 -0.0086 150 ASP A C 1922 O O . ASP A 138 ? 0.3254 0.3210 0.3059 -0.0299 -0.0055 -0.0003 150 ASP A O 1923 C CB . ASP A 138 ? 0.2853 0.2686 0.3289 -0.0159 -0.0063 0.0077 150 ASP A CB 1924 C CG . ASP A 138 ? 0.2815 0.2760 0.3228 -0.0359 -0.0273 -0.0258 150 ASP A CG 1925 O OD1 . ASP A 138 ? 0.2829 0.2838 0.3514 -0.0380 -0.0300 -0.0149 150 ASP A OD1 1926 O OD2 . ASP A 138 ? 0.2859 0.2970 0.3238 -0.0037 -0.0419 -0.0184 150 ASP A OD2 1931 N N . TYR A 139 ? 0.3125 0.3103 0.3279 0.0039 -0.0301 -0.0273 151 TYR A N 1932 C CA . TYR A 139 ? 0.3241 0.3024 0.3458 0.0272 -0.0191 -0.0129 151 TYR A CA 1933 C C . TYR A 139 ? 0.3198 0.3254 0.3484 0.0273 -0.0223 -0.0489 151 TYR A C 1934 O O . TYR A 139 ? 0.3187 0.3151 0.3394 0.0469 -0.0205 -0.0416 151 TYR A O 1935 C CB . TYR A 139 ? 0.3005 0.3097 0.3296 0.0213 -0.0202 -0.0128 151 TYR A CB 1936 C CG . TYR A 139 ? 0.2900 0.2964 0.3185 0.0182 0.0088 -0.0064 151 TYR A CG 1937 C CD1 . TYR A 139 ? 0.2940 0.3404 0.3355 0.0140 0.0101 -0.0484 151 TYR A CD1 1938 C CD2 . TYR A 139 ? 0.2969 0.2966 0.3281 0.0053 0.0038 -0.0263 151 TYR A CD2 1939 C CE1 . TYR A 139 ? 0.2966 0.3454 0.3324 0.0039 0.0094 -0.0523 151 TYR A CE1 1940 C CE2 . TYR A 139 ? 0.3056 0.3105 0.3456 0.0360 -0.0080 -0.0142 151 TYR A CE2 1941 C CZ . TYR A 139 ? 0.3293 0.3434 0.3568 0.0073 0.0269 -0.0405 151 TYR A CZ 1942 O OH . TYR A 139 ? 0.3661 0.3794 0.3747 0.0286 0.0229 -0.0276 151 TYR A OH 1952 N N . TRP A 140 ? 0.3174 0.3536 0.3636 0.0363 -0.0314 -0.0587 152 TRP A N 1953 C CA . TRP A 140 ? 0.3088 0.3649 0.3792 0.0476 -0.0481 -0.0589 152 TRP A CA 1954 C C . TRP A 140 ? 0.3188 0.3843 0.3995 0.0470 -0.0234 -0.0667 152 TRP A C 1955 O O . TRP A 140 ? 0.3195 0.4192 0.4330 0.0435 -0.0441 -0.0693 152 TRP A O 1956 C CB . TRP A 140 ? 0.3101 0.3689 0.3597 0.0391 -0.0559 -0.0607 152 TRP A CB 1957 C CG . TRP A 140 ? 0.3019 0.4075 0.3901 0.0227 -0.0466 -0.0977 152 TRP A CG 1958 C CD1 . TRP A 140 ? 0.3044 0.4386 0.3878 0.0109 -0.0767 -0.0795 152 TRP A CD1 1959 C CD2 . TRP A 140 ? 0.3226 0.4523 0.4191 0.0239 -0.0612 -0.0773 152 TRP A CD2 1960 N NE1 . TRP A 140 ? 0.3103 0.4540 0.3924 0.0375 -0.0597 -0.0840 152 TRP A NE1 1961 C CE2 . TRP A 140 ? 0.3344 0.4778 0.4285 0.0150 -0.0524 -0.0769 152 TRP A CE2 1962 C CE3 . TRP A 140 ? 0.3269 0.4915 0.4478 0.0585 -0.0429 -0.0674 152 TRP A CE3 1963 C CZ2 . TRP A 140 ? 0.3426 0.5130 0.4644 0.0146 -0.0523 -0.0572 152 TRP A CZ2 1964 C CZ3 . TRP A 140 ? 0.3425 0.5341 0.4605 0.0435 -0.0582 -0.0665 152 TRP A CZ3 1965 C CH2 . TRP A 140 ? 0.3452 0.5386 0.4742 0.0230 -0.0702 -0.0647 152 TRP A CH2 1976 N N . PRO A 141 ? 0.3463 0.3826 0.4317 0.0320 -0.0113 -0.0538 153 PRO A N 1977 C CA . PRO A 141 ? 0.3639 0.3766 0.4260 0.0326 -0.0351 -0.0377 153 PRO A CA 1978 C C . PRO A 141 ? 0.3457 0.3679 0.3728 0.0346 -0.0280 -0.0469 153 PRO A C 1979 O O . PRO A 141 ? 0.3479 0.3609 0.3581 0.0279 -0.0299 -0.0401 153 PRO A O 1980 C CB . PRO A 141 ? 0.4048 0.3961 0.4661 0.0386 -0.0346 -0.0384 153 PRO A CB 1981 C CG . PRO A 141 ? 0.4064 0.4077 0.4858 0.0425 -0.0006 -0.0174 153 PRO A CG 1982 C CD . PRO A 141 ? 0.3724 0.3821 0.4649 0.0433 -0.0102 -0.0170 153 PRO A CD 1990 N N . GLN A 142 ? 0.3147 0.3551 0.3496 0.0343 -0.0143 -0.0369 154 GLN A N 1991 C CA . GLN A 142 ? 0.3272 0.3230 0.3463 0.0396 -0.0293 -0.0402 154 GLN A CA 1992 C C . GLN A 142 ? 0.3192 0.2736 0.3214 0.0591 -0.0315 -0.0239 154 GLN A C 1993 O O . GLN A 142 ? 0.3038 0.2766 0.3492 0.0430 -0.0177 -0.0382 154 GLN A O 1994 C CB . GLN A 142 ? 0.3426 0.3295 0.3580 0.0246 -0.0166 -0.0389 154 GLN A CB 1995 C CG . GLN A 142 ? 0.3516 0.3318 0.3507 0.0098 -0.0346 -0.0277 154 GLN A CG 1996 C CD . GLN A 142 ? 0.3807 0.3694 0.3782 -0.0086 -0.0502 -0.0496 154 GLN A CD 1997 O OE1 . GLN A 142 ? 0.4069 0.4166 0.4163 -0.0247 -0.0270 -0.0673 154 GLN A OE1 1998 N NE2 . GLN A 142 ? 0.3907 0.3751 0.3826 0.0029 -0.0682 -0.0425 154 GLN A NE2 2007 N N . ASP A 143 ? 0.3496 0.2906 0.2941 0.0546 -0.0172 -0.0350 155 ASP A N 2008 C CA . ASP A 143 ? 0.3679 0.2958 0.2694 0.0428 -0.0159 -0.0161 155 ASP A CA 2009 C C . ASP A 143 ? 0.3687 0.3055 0.2788 0.0594 -0.0238 -0.0076 155 ASP A C 2010 O O . ASP A 143 ? 0.3750 0.3150 0.2861 0.0211 -0.0214 -0.0187 155 ASP A O 2011 C CB . ASP A 143 ? 0.4082 0.3194 0.3149 0.0473 -0.0111 0.0056 155 ASP A CB 2012 C CG . ASP A 143 ? 0.4443 0.3326 0.3228 0.0422 -0.0060 0.0061 155 ASP A CG 2013 O OD1 . ASP A 143 ? 0.4593 0.3633 0.3326 0.0348 0.0099 -0.0223 155 ASP A OD1 2014 O OD2 . ASP A 143 ? 0.4567 0.3108 0.3132 0.0407 -0.0261 0.0025 155 ASP A OD2 2019 N N . GLN A 144 ? 0.3428 0.3243 0.2499 0.0581 -0.0090 -0.0086 156 GLN A N 2020 C CA . GLN A 144 ? 0.3378 0.3348 0.3053 0.0622 -0.0217 -0.0009 156 GLN A CA 2021 C C . GLN A 144 ? 0.3390 0.3227 0.2999 0.0544 -0.0138 0.0065 156 GLN A C 2022 O O . GLN A 144 ? 0.3599 0.3304 0.3165 0.0368 -0.0193 0.0243 156 GLN A O 2023 C CB . GLN A 144 ? 0.3653 0.3634 0.3538 0.0598 -0.0552 0.0057 156 GLN A CB 2024 C CG . GLN A 144 ? 0.4019 0.3893 0.4123 0.0873 -0.0660 -0.0046 156 GLN A CG 2025 C CD . GLN A 144 ? 0.4578 0.4367 0.4256 0.1140 -0.0551 -0.0329 156 GLN A CD 2026 O OE1 . GLN A 144 ? 0.4724 0.4532 0.4126 0.1048 -0.0811 -0.0532 156 GLN A OE1 2027 N NE2 . GLN A 144 ? 0.4893 0.4591 0.4397 0.1123 0.0148 -0.0617 156 GLN A NE2 2036 N N . LEU A 145 ? 0.3351 0.3297 0.2889 0.0415 -0.0367 -0.0228 157 LEU A N 2037 C CA . LEU A 145 ? 0.3382 0.3414 0.2972 0.0391 -0.0315 -0.0138 157 LEU A CA 2038 C C . LEU A 145 ? 0.3494 0.3304 0.2919 0.0374 -0.0336 -0.0150 157 LEU A C 2039 O O . LEU A 145 ? 0.3511 0.3241 0.2838 0.0393 -0.0089 -0.0070 157 LEU A O 2040 C CB . LEU A 145 ? 0.3202 0.3309 0.2891 0.0242 -0.0459 -0.0251 157 LEU A CB 2041 C CG . LEU A 145 ? 0.3547 0.3414 0.3134 0.0359 -0.0207 -0.0408 157 LEU A CG 2042 C CD1 . LEU A 145 ? 0.3649 0.3419 0.3229 0.0259 0.0128 -0.0441 157 LEU A CD1 2043 C CD2 . LEU A 145 ? 0.3806 0.3531 0.3398 0.0246 -0.0340 -0.0330 157 LEU A CD2 2055 N N . PRO A 146 ? 0.3340 0.3231 0.2939 0.0064 0.0008 -0.0051 158 PRO A N 2056 C CA . PRO A 146 ? 0.3378 0.3393 0.3235 0.0260 -0.0210 -0.0218 158 PRO A CA 2057 C C . PRO A 146 ? 0.3298 0.3447 0.2926 0.0639 -0.0205 -0.0235 158 PRO A C 2058 O O . PRO A 146 ? 0.3189 0.3306 0.2943 0.0465 -0.0386 -0.0269 158 PRO A O 2059 C CB . PRO A 146 ? 0.3423 0.3580 0.3500 0.0300 -0.0295 -0.0188 158 PRO A CB 2060 C CG . PRO A 146 ? 0.3231 0.3510 0.3407 0.0303 -0.0135 -0.0119 158 PRO A CG 2061 C CD . PRO A 146 ? 0.3398 0.3492 0.3307 0.0122 0.0135 0.0073 158 PRO A CD 2069 N N . ILE A 147 ? 0.3473 0.3697 0.3215 0.0575 -0.0236 -0.0438 159 ILE A N 2070 C CA . ILE A 147 ? 0.3637 0.3795 0.3120 0.0575 -0.0231 -0.0471 159 ILE A CA 2071 C C . ILE A 147 ? 0.3876 0.3735 0.3344 0.0540 0.0084 -0.0403 159 ILE A C 2072 O O . ILE A 147 ? 0.3942 0.3532 0.3358 0.0449 0.0137 -0.0212 159 ILE A O 2073 C CB . ILE A 147 ? 0.3639 0.4090 0.3748 0.0273 -0.0571 -0.0416 159 ILE A CB 2074 C CG1 . ILE A 147 ? 0.3820 0.4125 0.4200 0.0352 -0.0706 -0.0702 159 ILE A CG1 2075 C CG2 . ILE A 147 ? 0.3779 0.4270 0.3890 -0.0152 -0.0755 -0.0230 159 ILE A CG2 2076 C CD1 . ILE A 147 ? 0.4017 0.4211 0.4720 0.0300 -0.0566 -0.0813 159 ILE A CD1 2088 N N . VAL A 148 ? 0.3889 0.4081 0.3492 0.0760 0.0193 -0.0434 160 VAL A N 2089 C CA . VAL A 148 ? 0.3905 0.4066 0.3933 0.0746 0.0390 -0.0224 160 VAL A CA 2090 C C . VAL A 148 ? 0.3612 0.3986 0.3764 0.0511 0.0470 -0.0367 160 VAL A C 2091 O O . VAL A 148 ? 0.3535 0.3830 0.3903 0.0394 0.0398 -0.0471 160 VAL A O 2092 C CB . VAL A 148 ? 0.4181 0.4132 0.4454 0.1105 0.0280 -0.0080 160 VAL A CB 2093 C CG1 . VAL A 148 ? 0.4350 0.4180 0.4421 0.1123 0.0693 -0.0038 160 VAL A CG1 2094 C CG2 . VAL A 148 ? 0.4140 0.4002 0.4625 0.1527 -0.0044 -0.0032 160 VAL A CG2 2104 N N . THR A 149 ? 0.3499 0.3887 0.3689 0.0428 0.0397 -0.0202 161 THR A N 2105 C CA . THR A 149 ? 0.3667 0.4039 0.3919 0.0100 0.0154 0.0096 161 THR A CA 2106 C C . THR A 149 ? 0.3473 0.3924 0.3862 0.0228 0.0194 -0.0022 161 THR A C 2107 O O . THR A 149 ? 0.3707 0.3979 0.3874 0.0336 0.0200 0.0121 161 THR A O 2108 C CB . THR A 149 ? 0.3874 0.4393 0.4072 -0.0181 0.0125 0.0098 161 THR A CB 2109 O OG1 . THR A 149 ? 0.4115 0.4629 0.4231 -0.0158 -0.0255 0.0355 161 THR A OG1 2110 C CG2 . THR A 149 ? 0.3759 0.4427 0.3814 -0.0446 0.0421 -0.0120 161 THR A CG2 2118 N N . SER A 150 ? 0.3483 0.4211 0.3893 0.0208 0.0079 -0.0277 162 SER A N 2119 C CA . SER A 150 ? 0.3648 0.4113 0.3765 0.0142 0.0304 -0.0082 162 SER A CA 2120 C C . SER A 150 ? 0.3690 0.4120 0.3673 0.0122 0.0356 -0.0236 162 SER A C 2121 O O . SER A 150 ? 0.3929 0.4038 0.3791 0.0006 0.0312 -0.0098 162 SER A O 2122 C CB . SER A 150 ? 0.3708 0.4145 0.3807 0.0140 0.0167 0.0040 162 SER A CB 2123 O OG . SER A 150 ? 0.3624 0.4062 0.3794 0.0203 0.0065 0.0030 162 SER A OG 2129 N N . LYS A 151 ? 0.3443 0.4187 0.3803 0.0135 0.0161 -0.0089 163 LYS A N 2130 C CA . LYS A 151 ? 0.3550 0.4281 0.4060 0.0213 0.0494 -0.0215 163 LYS A CA 2131 C C . LYS A 151 ? 0.3773 0.4010 0.3811 0.0178 0.0475 -0.0206 163 LYS A C 2132 O O . LYS A 151 ? 0.3955 0.4094 0.3978 0.0191 0.0534 -0.0325 163 LYS A O 2133 C CB . LYS A 151 ? 0.3809 0.4739 0.4373 0.0318 0.0571 -0.0372 163 LYS A CB 2134 C CG . LYS A 151 ? 0.4159 0.5303 0.4889 0.0279 0.0507 -0.0355 163 LYS A CG 2135 C CD . LYS A 151 ? 0.4526 0.5800 0.5375 0.0420 0.0394 -0.0219 163 LYS A CD 2136 C CE . LYS A 151 ? 0.4947 0.6285 0.6080 0.0515 -0.0100 0.0187 163 LYS A CE 2137 N NZ . LYS A 151 ? 0.5365 0.6660 0.6414 0.0540 -0.0325 0.0456 163 LYS A NZ 2151 N N . VAL A 152 ? 0.3617 0.3613 0.3569 0.0168 0.0284 -0.0140 164 VAL A N 2152 C CA . VAL A 152 ? 0.3274 0.3390 0.3155 -0.0031 0.0103 -0.0089 164 VAL A CA 2153 C C . VAL A 152 ? 0.3125 0.3111 0.3351 -0.0026 0.0139 -0.0002 164 VAL A C 2154 O O . VAL A 152 ? 0.3090 0.3027 0.3394 0.0081 0.0281 -0.0116 164 VAL A O 2155 C CB . VAL A 152 ? 0.3391 0.3561 0.2912 0.0094 0.0128 -0.0192 164 VAL A CB 2156 C CG1 . VAL A 152 ? 0.3514 0.3492 0.3233 -0.0013 0.0173 -0.0121 164 VAL A CG1 2157 C CG2 . VAL A 152 ? 0.3430 0.3599 0.3021 0.0067 -0.0002 -0.0285 164 VAL A CG2 2167 N N . TYR A 153 ? 0.3211 0.3052 0.3234 -0.0007 0.0119 -0.0044 165 TYR A N 2168 C CA . TYR A 153 ? 0.3317 0.2966 0.3451 -0.0272 -0.0019 0.0039 165 TYR A CA 2169 C C . TYR A 153 ? 0.3527 0.3170 0.3404 -0.0121 -0.0201 0.0195 165 TYR A C 2170 O O . TYR A 153 ? 0.3292 0.3018 0.3582 0.0265 -0.0315 0.0130 165 TYR A O 2171 C CB . TYR A 153 ? 0.3306 0.3161 0.3626 -0.0179 0.0088 0.0020 165 TYR A CB 2172 C CG . TYR A 153 ? 0.3335 0.3347 0.3540 -0.0126 0.0240 0.0151 165 TYR A CG 2173 C CD1 . TYR A 153 ? 0.3147 0.3162 0.3316 -0.0118 0.0090 0.0186 165 TYR A CD1 2174 C CD2 . TYR A 153 ? 0.3308 0.3115 0.3366 0.0175 0.0289 0.0183 165 TYR A CD2 2175 C CE1 . TYR A 153 ? 0.3148 0.3024 0.3369 0.0042 0.0147 0.0081 165 TYR A CE1 2176 C CE2 . TYR A 153 ? 0.3206 0.3246 0.3262 0.0071 0.0133 0.0218 165 TYR A CE2 2177 C CZ . TYR A 153 ? 0.3194 0.3125 0.3169 -0.0101 0.0178 0.0034 165 TYR A CZ 2178 O OH . TYR A 153 ? 0.3238 0.3073 0.3106 -0.0065 0.0183 -0.0097 165 TYR A OH 2188 N N . SER A 154 ? 0.3651 0.3328 0.3519 -0.0214 0.0033 0.0244 166 SER A N 2189 C CA . SER A 154 ? 0.4067 0.3557 0.3720 -0.0340 0.0223 0.0029 166 SER A CA 2190 C C . SER A 154 ? 0.4116 0.3652 0.3570 -0.0375 0.0202 0.0331 166 SER A C 2191 O O . SER A 154 ? 0.4269 0.3781 0.3639 -0.0271 0.0079 0.0383 166 SER A O 2192 C CB . SER A 154 ? 0.4510 0.4035 0.4376 -0.0224 0.0276 -0.0566 166 SER A CB 2193 O OG . SER A 154 ? 0.5008 0.4622 0.5159 -0.0242 0.0328 -0.0368 166 SER A OG 2199 N N . ALA A 155 ? 0.3849 0.3556 0.3377 -0.0403 -0.0025 0.0123 167 ALA A N 2200 C CA . ALA A 155 ? 0.3884 0.3524 0.3356 -0.0183 0.0073 -0.0012 167 ALA A CA 2201 C C . ALA A 155 ? 0.4065 0.3290 0.3285 -0.0168 0.0140 0.0062 167 ALA A C 2202 O O . ALA A 155 ? 0.4299 0.3244 0.3159 -0.0368 0.0111 0.0160 167 ALA A O 2203 C CB . ALA A 155 ? 0.3924 0.3698 0.3738 -0.0028 -0.0012 -0.0086 167 ALA A CB 2209 N N . VAL A 156 ? 0.4084 0.3063 0.3291 -0.0080 0.0063 -0.0066 168 VAL A N 2210 C CA . VAL A 156 ? 0.3812 0.2857 0.3335 -0.0288 0.0262 0.0229 168 VAL A CA 2211 C C . VAL A 156 ? 0.3796 0.2810 0.3448 -0.0189 0.0192 0.0361 168 VAL A C 2212 O O . VAL A 156 ? 0.3657 0.2668 0.3819 -0.0040 0.0213 0.0450 168 VAL A O 2213 C CB . VAL A 156 ? 0.3877 0.2446 0.3108 -0.0423 0.0132 0.0074 168 VAL A CB 2214 C CG1 . VAL A 156 ? 0.4070 0.2736 0.3130 -0.0496 -0.0378 0.0022 168 VAL A CG1 2215 C CG2 . VAL A 156 ? 0.3745 0.2451 0.3205 -0.0452 0.0474 -0.0072 168 VAL A CG2 2225 N N . ALA A 157 ? 0.3975 0.3061 0.3226 -0.0089 0.0184 0.0454 169 ALA A N 2226 C CA . ALA A 157 ? 0.4171 0.3324 0.3469 -0.0352 0.0091 0.0533 169 ALA A CA 2227 C C . ALA A 157 ? 0.4448 0.3343 0.3906 -0.0282 0.0097 0.0612 169 ALA A C 2228 O O . ALA A 157 ? 0.4777 0.3098 0.4558 -0.0157 -0.0018 0.0806 169 ALA A O 2229 C CB . ALA A 157 ? 0.4196 0.3211 0.3131 -0.0594 0.0033 0.0309 169 ALA A CB 2235 N N . ASP A 158 ? 0.4470 0.3699 0.3668 -0.0226 0.0268 0.0498 170 ASP A N 2236 C CA . ASP A 158 ? 0.4454 0.3882 0.3656 -0.0110 0.0538 0.0313 170 ASP A CA 2237 C C . ASP A 158 ? 0.4302 0.3491 0.3280 -0.0118 0.0427 0.0213 170 ASP A C 2238 O O . ASP A 158 ? 0.4399 0.3467 0.3323 0.0034 0.0391 0.0209 170 ASP A O 2239 C CB . ASP A 158 ? 0.4840 0.4729 0.4096 -0.0112 0.0801 0.0240 170 ASP A CB 2240 C CG . ASP A 158 ? 0.5427 0.5722 0.5236 -0.0036 0.0555 0.0096 170 ASP A CG 2241 O OD1 . ASP A 158 ? 0.5599 0.6146 0.5660 -0.0177 0.0415 0.0082 170 ASP A OD1 2242 O OD2 . ASP A 158 ? 0.5716 0.6122 0.5826 0.0133 0.0810 -0.0050 170 ASP A OD2 2247 N N . LEU A 159 ? 0.4100 0.3357 0.2924 0.0075 0.0299 0.0185 171 LEU A N 2248 C CA . LEU A 159 ? 0.4253 0.3347 0.2976 -0.0058 0.0041 0.0317 171 LEU A CA 2249 C C . LEU A 159 ? 0.4170 0.3160 0.3003 -0.0001 -0.0051 0.0337 171 LEU A C 2250 O O . LEU A 159 ? 0.4326 0.3205 0.3288 -0.0148 0.0107 0.0123 171 LEU A O 2251 C CB . LEU A 159 ? 0.4393 0.3178 0.3113 0.0164 -0.0258 0.0632 171 LEU A CB 2252 C CG . LEU A 159 ? 0.4549 0.3169 0.3254 -0.0015 -0.0347 0.0360 171 LEU A CG 2253 C CD1 . LEU A 159 ? 0.4508 0.2822 0.3267 0.0003 -0.0344 0.0368 171 LEU A CD1 2254 C CD2 . LEU A 159 ? 0.4618 0.3272 0.3646 -0.0245 -0.0389 0.0513 171 LEU A CD2 2266 N N . TRP A 160 ? 0.3968 0.3106 0.2977 0.0104 -0.0062 0.0097 172 TRP A N 2267 C CA . TRP A 160 ? 0.3916 0.2957 0.3169 0.0020 0.0053 0.0328 172 TRP A CA 2268 C C . TRP A 160 ? 0.4253 0.3009 0.3167 -0.0124 -0.0061 0.0359 172 TRP A C 2269 O O . TRP A 160 ? 0.4136 0.2910 0.3260 -0.0018 0.0036 0.0521 172 TRP A O 2270 C CB . TRP A 160 ? 0.3752 0.2735 0.3146 0.0000 -0.0091 0.0155 172 TRP A CB 2271 C CG . TRP A 160 ? 0.3731 0.2733 0.3009 0.0066 -0.0058 0.0181 172 TRP A CG 2272 C CD1 . TRP A 160 ? 0.3697 0.2746 0.2782 0.0118 -0.0100 0.0012 172 TRP A CD1 2273 C CD2 . TRP A 160 ? 0.3772 0.2651 0.2967 0.0106 -0.0020 0.0178 172 TRP A CD2 2274 N NE1 . TRP A 160 ? 0.3665 0.2707 0.2605 0.0044 -0.0040 -0.0024 172 TRP A NE1 2275 C CE2 . TRP A 160 ? 0.3481 0.2591 0.2795 0.0068 -0.0059 0.0025 172 TRP A CE2 2276 C CE3 . TRP A 160 ? 0.3835 0.2450 0.2847 0.0160 -0.0089 0.0187 172 TRP A CE3 2277 C CZ2 . TRP A 160 ? 0.3371 0.2567 0.2960 0.0039 -0.0101 -0.0017 172 TRP A CZ2 2278 C CZ3 . TRP A 160 ? 0.3712 0.2405 0.3319 0.0196 -0.0044 0.0107 172 TRP A CZ3 2279 C CH2 . TRP A 160 ? 0.3395 0.2412 0.3139 0.0011 -0.0281 0.0208 172 TRP A CH2 2290 N N . LYS A 161 ? 0.4516 0.3227 0.2696 -0.0353 0.0045 0.0607 173 LYS A N 2291 C CA . LYS A 161 ? 0.4758 0.3423 0.2954 -0.0359 -0.0118 0.0682 173 LYS A CA 2292 C C . LYS A 161 ? 0.4705 0.3014 0.3075 -0.0309 -0.0038 0.0584 173 LYS A C 2293 O O . LYS A 161 ? 0.4517 0.3030 0.3138 -0.0257 0.0086 0.0227 173 LYS A O 2294 C CB . LYS A 161 ? 0.5322 0.4203 0.3018 -0.0246 -0.0073 0.1066 173 LYS A CB 2295 C CG . LYS A 161 ? 0.5793 0.4697 0.3715 -0.0276 0.0187 0.1522 173 LYS A CG 2296 C CD . LYS A 161 ? 0.6089 0.5285 0.4498 -0.0325 0.0418 0.1436 173 LYS A CD 2297 C CE . LYS A 161 ? 0.6441 0.5775 0.5088 -0.0474 0.0496 0.1324 173 LYS A CE 2298 N NZ . LYS A 161 ? 0.6652 0.6086 0.5456 -0.0527 0.0371 0.1201 173 LYS A NZ 2312 N N . PRO A 162 ? 0.4721 0.2481 0.3048 -0.0394 -0.0411 0.0707 174 PRO A N 2313 C CA . PRO A 162 ? 0.4526 0.2393 0.3071 -0.0121 -0.0219 0.0300 174 PRO A CA 2314 C C . PRO A 162 ? 0.4476 0.2333 0.3070 0.0135 -0.0150 0.0447 174 PRO A C 2315 O O . PRO A 162 ? 0.4414 0.2287 0.2951 0.0048 -0.0376 0.0522 174 PRO A O 2316 C CB . PRO A 162 ? 0.4615 0.2617 0.2872 -0.0194 -0.0476 0.0371 174 PRO A CB 2317 C CG . PRO A 162 ? 0.4712 0.2726 0.3172 -0.0471 -0.0686 0.0411 174 PRO A CG 2318 C CD . PRO A 162 ? 0.4724 0.2632 0.3422 -0.0560 -0.0593 0.0377 174 PRO A CD 2326 N N . TRP A 163 ? 0.4362 0.2582 0.3193 -0.0054 -0.0017 0.0635 175 TRP A N 2327 C CA . TRP A 163 ? 0.4148 0.2732 0.3074 -0.0111 0.0255 0.0525 175 TRP A CA 2328 C C . TRP A 163 ? 0.4086 0.2855 0.2905 -0.0132 0.0272 0.0548 175 TRP A C 2329 O O . TRP A 163 ? 0.4239 0.2979 0.3047 0.0012 0.0009 0.0786 175 TRP A O 2330 C CB . TRP A 163 ? 0.4031 0.2689 0.2697 0.0127 0.0317 0.0369 175 TRP A CB 2331 C CG . TRP A 163 ? 0.4150 0.2594 0.3054 -0.0033 -0.0001 0.0317 175 TRP A CG 2332 C CD1 . TRP A 163 ? 0.4316 0.2623 0.3258 0.0096 -0.0138 0.0272 175 TRP A CD1 2333 C CD2 . TRP A 163 ? 0.3903 0.2490 0.3095 -0.0124 -0.0113 0.0086 175 TRP A CD2 2334 N NE1 . TRP A 163 ? 0.4250 0.2550 0.3353 0.0050 -0.0245 0.0160 175 TRP A NE1 2335 C CE2 . TRP A 163 ? 0.4037 0.2675 0.3257 -0.0122 -0.0272 -0.0117 175 TRP A CE2 2336 C CE3 . TRP A 163 ? 0.3637 0.2366 0.2939 -0.0364 0.0040 -0.0090 175 TRP A CE3 2337 C CZ2 . TRP A 163 ? 0.3929 0.2752 0.3275 -0.0226 0.0074 -0.0148 175 TRP A CZ2 2338 C CZ3 . TRP A 163 ? 0.3825 0.2507 0.3025 -0.0125 -0.0128 -0.0432 175 TRP A CZ3 2339 C CH2 . TRP A 163 ? 0.3882 0.2441 0.3157 -0.0199 0.0075 -0.0222 175 TRP A CH2 2350 N N . LEU A 164 ? 0.4042 0.2918 0.3054 -0.0109 0.0149 0.0338 176 LEU A N 2351 C CA . LEU A 164 ? 0.4145 0.2746 0.2781 -0.0005 0.0059 0.0148 176 LEU A CA 2352 C C . LEU A 164 ? 0.4215 0.2916 0.2976 0.0088 0.0119 0.0134 176 LEU A C 2353 O O . LEU A 164 ? 0.4200 0.3221 0.3121 0.0048 -0.0175 0.0193 176 LEU A O 2354 C CB . LEU A 164 ? 0.4314 0.2945 0.3031 0.0139 -0.0193 0.0031 176 LEU A CB 2355 C CG . LEU A 164 ? 0.4414 0.2837 0.3427 0.0106 -0.0243 0.0391 176 LEU A CG 2356 C CD1 . LEU A 164 ? 0.4493 0.2987 0.3693 0.0252 -0.0542 0.0059 176 LEU A CD1 2357 C CD2 . LEU A 164 ? 0.4550 0.2657 0.3644 -0.0279 -0.0342 0.0434 176 LEU A CD2 2369 N N . GLY A 165 ? 0.4308 0.2976 0.2720 0.0048 0.0041 0.0042 177 GLY A N 2370 C CA . GLY A 165 ? 0.4591 0.3165 0.3047 0.0144 0.0634 -0.0188 177 GLY A CA 2371 C C . GLY A 165 ? 0.4920 0.3236 0.2886 -0.0105 0.0644 0.0163 177 GLY A C 2372 O O . GLY A 165 ? 0.5031 0.3290 0.2617 -0.0064 0.0270 0.0198 177 GLY A O 2376 N N . GLU A 166 ? 0.5291 0.3484 0.2928 -0.0304 0.0787 0.0121 178 GLU A N 2377 C CA . GLU A 166 ? 0.5725 0.3672 0.3042 -0.0226 0.1041 0.0639 178 GLU A CA 2378 C C . GLU A 166 ? 0.5675 0.3520 0.2924 -0.0250 0.0671 0.0569 178 GLU A C 2379 O O . GLU A 166 ? 0.5444 0.3636 0.3052 -0.0171 0.0385 0.0360 178 GLU A O 2380 C CB . GLU A 166 ? 0.6428 0.4410 0.3511 -0.0423 0.1340 0.0784 178 GLU A CB 2381 C CG . GLU A 166 ? 0.7310 0.5277 0.4270 -0.0522 0.1338 0.0824 178 GLU A CG 2382 C CD . GLU A 166 ? 0.8014 0.5879 0.5161 -0.0754 0.1266 0.1017 178 GLU A CD 2383 O OE1 . GLU A 166 ? 0.8345 0.6203 0.5971 -0.0603 0.1135 0.0877 178 GLU A OE1 2384 O OE2 . GLU A 166 ? 0.8314 0.6223 0.5141 -0.0849 0.1262 0.1161 178 GLU A OE2 2391 N N . GLU A 167 ? 0.5787 0.3277 0.2793 -0.0078 0.0543 0.0331 179 GLU A N 2392 C CA . GLU A 167 ? 0.5979 0.3269 0.2973 -0.0018 0.0307 0.0364 179 GLU A CA 2393 C C . GLU A 167 ? 0.5501 0.2940 0.2842 0.0072 0.0261 0.0272 179 GLU A C 2394 O O . GLU A 167 ? 0.5528 0.2997 0.3015 0.0101 0.0319 0.0139 179 GLU A O 2395 C CB . GLU A 167 ? 0.6562 0.3510 0.3555 -0.0181 0.0066 0.0400 179 GLU A CB 2396 C CG . GLU A 167 ? 0.7314 0.4191 0.4203 -0.0296 -0.0090 0.0420 179 GLU A CG 2397 C CD . GLU A 167 ? 0.8085 0.4646 0.5342 -0.0339 -0.0142 0.0374 179 GLU A CD 2398 O OE1 . GLU A 167 ? 0.8364 0.4681 0.5967 -0.0396 0.0211 0.0290 179 GLU A OE1 2399 O OE2 . GLU A 167 ? 0.8357 0.4955 0.5574 -0.0172 -0.0595 0.0343 179 GLU A OE2 2406 N N . ALA A 168 ? 0.5116 0.2626 0.2530 0.0044 0.0143 0.0048 180 ALA A N 2407 C CA . ALA A 168 ? 0.4798 0.2541 0.2522 0.0075 0.0317 -0.0031 180 ALA A CA 2408 C C . ALA A 168 ? 0.4695 0.2617 0.2856 -0.0245 0.0573 0.0337 180 ALA A C 2409 O O . ALA A 168 ? 0.4604 0.2677 0.2974 -0.0148 0.0715 0.0356 180 ALA A O 2410 C CB . ALA A 168 ? 0.4691 0.2595 0.2608 0.0151 0.0162 -0.0056 180 ALA A CB 2416 N N . ILE A 169 ? 0.4583 0.2788 0.3003 -0.0326 0.0417 0.0281 181 ILE A N 2417 C CA . ILE A 169 ? 0.4651 0.3194 0.3280 -0.0274 0.0364 0.0011 181 ILE A CA 2418 C C . ILE A 169 ? 0.4430 0.3416 0.3125 0.0049 0.0222 0.0230 181 ILE A C 2419 O O . ILE A 169 ? 0.4549 0.3649 0.2847 0.0056 0.0121 0.0429 181 ILE A O 2420 C CB . ILE A 169 ? 0.4883 0.3429 0.3576 -0.0467 0.0547 -0.0072 181 ILE A CB 2421 C CG1 . ILE A 169 ? 0.5048 0.3770 0.3861 -0.0506 0.0713 -0.0330 181 ILE A CG1 2422 C CG2 . ILE A 169 ? 0.4964 0.3606 0.3532 -0.0462 0.0644 0.0200 181 ILE A CG2 2423 C CD1 . ILE A 169 ? 0.5191 0.4104 0.4596 -0.0538 0.0664 -0.0458 181 ILE A CD1 2435 N N . SER A 170 ? 0.4239 0.3248 0.3273 0.0399 0.0384 0.0473 182 SER A N 2436 C CA . SER A 170 ? 0.4364 0.3242 0.3416 0.0263 0.0638 0.0370 182 SER A CA 2437 C C . SER A 170 ? 0.4049 0.3176 0.3290 0.0222 0.0502 0.0335 182 SER A C 2438 O O . SER A 170 ? 0.4093 0.3274 0.3583 0.0356 0.0710 0.0166 182 SER A O 2439 C CB . SER A 170 ? 0.4806 0.3620 0.3636 0.0607 0.1007 -0.0035 182 SER A CB 2440 O OG . SER A 170 ? 0.5154 0.4517 0.4253 0.0539 0.0916 -0.0012 182 SER A OG 2446 N N . THR A 171 ? 0.3509 0.2954 0.3119 0.0029 0.0465 -0.0010 183 THR A N 2447 C CA . THR A 171 ? 0.3472 0.3123 0.3175 -0.0271 0.0531 -0.0115 183 THR A CA 2448 C C . THR A 171 ? 0.3303 0.2973 0.3192 -0.0142 0.0306 -0.0040 183 THR A C 2449 O O . THR A 171 ? 0.3498 0.2934 0.3240 -0.0083 0.0381 -0.0059 183 THR A O 2450 C CB . THR A 171 ? 0.3801 0.3118 0.3153 -0.0389 0.0359 -0.0347 183 THR A CB 2451 O OG1 . THR A 171 ? 0.4012 0.3115 0.2869 -0.0130 0.0133 -0.0304 183 THR A OG1 2452 C CG2 . THR A 171 ? 0.4178 0.3231 0.3360 -0.0642 0.0605 -0.0686 183 THR A CG2 2460 N N . LEU A 172 ? 0.3371 0.3028 0.3121 -0.0092 0.0145 -0.0154 184 LEU A N 2461 C CA . LEU A 172 ? 0.3520 0.2820 0.2989 0.0035 0.0132 -0.0045 184 LEU A CA 2462 C C . LEU A 172 ? 0.3354 0.3106 0.2915 -0.0145 0.0023 -0.0003 184 LEU A C 2463 O O . LEU A 172 ? 0.3119 0.3305 0.2952 0.0003 0.0383 -0.0004 184 LEU A O 2464 C CB . LEU A 172 ? 0.3993 0.2593 0.2729 0.0062 -0.0028 0.0174 184 LEU A CB 2465 C CG . LEU A 172 ? 0.4018 0.2653 0.2509 -0.0253 0.0153 0.0161 184 LEU A CG 2466 C CD1 . LEU A 172 ? 0.4081 0.2878 0.2428 -0.0247 0.0294 0.0209 184 LEU A CD1 2467 C CD2 . LEU A 172 ? 0.4194 0.2753 0.2638 -0.0239 0.0322 0.0243 184 LEU A CD2 2479 N N . LYS A 173 ? 0.3380 0.3554 0.3201 -0.0052 0.0243 0.0360 185 LYS A N 2480 C CA . LYS A 173 ? 0.3444 0.3930 0.3089 0.0079 0.0175 0.0540 185 LYS A CA 2481 C C . LYS A 173 ? 0.3439 0.3946 0.2986 0.0025 0.0302 0.0257 185 LYS A C 2482 O O . LYS A 173 ? 0.3453 0.3875 0.2936 0.0091 0.0348 0.0467 185 LYS A O 2483 C CB . LYS A 173 ? 0.3800 0.4562 0.3532 -0.0302 0.0418 0.0867 185 LYS A CB 2484 C CG . LYS A 173 ? 0.4677 0.5064 0.4075 -0.0719 0.0638 0.1043 185 LYS A CG 2485 C CD . LYS A 173 ? 0.5323 0.5436 0.4687 -0.0701 0.0597 0.0880 185 LYS A CD 2486 C CE . LYS A 173 ? 0.5725 0.6004 0.5369 -0.0157 0.0319 0.0408 185 LYS A CE 2487 N NZ . LYS A 173 ? 0.5981 0.6345 0.5723 0.0298 0.0172 0.0189 185 LYS A NZ 2501 N N . LYS A 174 ? 0.3387 0.4064 0.3186 0.0019 0.0563 -0.0222 186 LYS A N 2502 C CA . LYS A 174 ? 0.3792 0.4074 0.3591 0.0252 0.0314 -0.0304 186 LYS A CA 2503 C C . LYS A 174 ? 0.3764 0.3732 0.3731 0.0414 0.0256 -0.0359 186 LYS A C 2504 O O . LYS A 174 ? 0.4120 0.3779 0.3757 0.0419 0.0123 -0.0353 186 LYS A O 2505 C CB . LYS A 174 ? 0.4386 0.4544 0.3891 0.0258 0.0479 -0.0632 186 LYS A CB 2506 C CG . LYS A 174 ? 0.5079 0.5217 0.4427 0.0059 0.0353 -0.0649 186 LYS A CG 2507 C CD . LYS A 174 ? 0.5785 0.5766 0.4766 -0.0073 0.0402 -0.0771 186 LYS A CD 2508 C CE . LYS A 174 ? 0.6342 0.6296 0.5182 -0.0291 0.0150 -0.0707 186 LYS A CE 2509 N NZ . LYS A 174 ? 0.6585 0.6565 0.5585 -0.0471 0.0037 -0.0560 186 LYS A NZ 2523 N N . GLY A 175 ? 0.3743 0.3354 0.3477 0.0394 0.0349 -0.0475 187 GLY A N 2524 C CA . GLY A 175 ? 0.3404 0.3157 0.3475 0.0608 -0.0005 -0.0152 187 GLY A CA 2525 C C . GLY A 175 ? 0.3326 0.2961 0.3092 0.0268 -0.0237 -0.0116 187 GLY A C 2526 O O . GLY A 175 ? 0.3282 0.3026 0.3177 0.0357 0.0011 0.0086 187 GLY A O 2530 N N . GLY A 176 ? 0.3350 0.2956 0.2904 0.0445 0.0064 -0.0253 188 GLY A N 2531 C CA . GLY A 176 ? 0.3418 0.2770 0.2610 0.0252 0.0170 0.0190 188 GLY A CA 2532 C C . GLY A 176 ? 0.3344 0.2753 0.2687 0.0265 0.0096 0.0169 188 GLY A C 2533 O O . GLY A 176 ? 0.3188 0.2536 0.2976 0.0239 0.0007 0.0130 188 GLY A O 2537 N N . PHE A 177 ? 0.3159 0.2645 0.2876 0.0247 -0.0008 0.0208 189 PHE A N 2538 C CA . PHE A 177 ? 0.3024 0.2448 0.2681 0.0188 0.0214 -0.0116 189 PHE A CA 2539 C C . PHE A 177 ? 0.3120 0.2432 0.2706 0.0352 0.0182 -0.0156 189 PHE A C 2540 O O . PHE A 177 ? 0.3468 0.2606 0.2723 0.0169 0.0208 -0.0015 189 PHE A O 2541 C CB . PHE A 177 ? 0.2967 0.2703 0.2667 0.0094 -0.0063 -0.0019 189 PHE A CB 2542 C CG . PHE A 177 ? 0.3008 0.2819 0.2847 0.0198 -0.0002 -0.0038 189 PHE A CG 2543 C CD1 . PHE A 177 ? 0.3064 0.2837 0.3111 0.0132 -0.0208 -0.0214 189 PHE A CD1 2544 C CD2 . PHE A 177 ? 0.2977 0.3094 0.2993 0.0303 0.0234 -0.0362 189 PHE A CD2 2545 C CE1 . PHE A 177 ? 0.3071 0.2734 0.3320 0.0225 -0.0041 -0.0269 189 PHE A CE1 2546 C CE2 . PHE A 177 ? 0.3049 0.3049 0.3172 0.0512 0.0202 -0.0335 189 PHE A CE2 2547 C CZ . PHE A 177 ? 0.3001 0.2949 0.3341 0.0387 0.0064 -0.0369 189 PHE A CZ 2557 N N . TYR A 178 ? 0.3220 0.2394 0.2721 0.0464 0.0110 -0.0176 190 TYR A N 2558 C CA . TYR A 178 ? 0.3475 0.2379 0.2654 0.0246 0.0104 -0.0059 190 TYR A CA 2559 C C . TYR A 178 ? 0.3408 0.2127 0.2678 0.0233 -0.0094 0.0064 190 TYR A C 2560 O O . TYR A 178 ? 0.3263 0.2372 0.2824 0.0274 -0.0013 0.0019 190 TYR A O 2561 C CB . TYR A 178 ? 0.3381 0.2400 0.2369 -0.0156 0.0145 -0.0113 190 TYR A CB 2562 C CG . TYR A 178 ? 0.3403 0.2334 0.2275 -0.0074 -0.0095 -0.0050 190 TYR A CG 2563 C CD1 . TYR A 178 ? 0.3678 0.2283 0.2539 0.0067 0.0077 0.0089 190 TYR A CD1 2564 C CD2 . TYR A 178 ? 0.3739 0.2313 0.2474 -0.0033 -0.0083 0.0089 190 TYR A CD2 2565 C CE1 . TYR A 178 ? 0.3906 0.2515 0.2536 0.0131 -0.0021 0.0356 190 TYR A CE1 2566 C CE2 . TYR A 178 ? 0.3868 0.2085 0.2557 0.0282 0.0033 0.0124 190 TYR A CE2 2567 C CZ . TYR A 178 ? 0.3914 0.2345 0.2576 0.0119 -0.0094 0.0173 190 TYR A CZ 2568 O OH . TYR A 178 ? 0.4030 0.2373 0.2706 0.0506 -0.0277 0.0121 190 TYR A OH 2578 N N . SER A 179 ? 0.3576 0.2220 0.2511 0.0297 -0.0258 0.0326 191 SER A N 2579 C CA . SER A 179 ? 0.3538 0.2377 0.2510 0.0537 -0.0309 0.0085 191 SER A CA 2580 C C . SER A 179 ? 0.3535 0.2705 0.2597 0.0377 0.0009 0.0176 191 SER A C 2581 O O . SER A 179 ? 0.3511 0.2880 0.3022 0.0011 0.0289 0.0261 191 SER A O 2582 C CB . SER A 179 ? 0.3475 0.2754 0.2368 0.0355 -0.0472 -0.0179 191 SER A CB 2583 O OG . SER A 179 ? 0.3585 0.3114 0.2781 0.0126 -0.0521 -0.0315 191 SER A OG 2589 N N . GLN A 180 ? 0.3592 0.2749 0.2866 0.0312 -0.0106 0.0137 192 GLN A N 2590 C CA . GLN A 180 ? 0.3834 0.2831 0.2687 0.0247 -0.0188 0.0207 192 GLN A CA 2591 C C . GLN A 180 ? 0.3979 0.3048 0.2809 0.0388 -0.0310 0.0312 192 GLN A C 2592 O O . GLN A 180 ? 0.3971 0.3131 0.2780 0.0244 -0.0126 0.0625 192 GLN A O 2593 C CB . GLN A 180 ? 0.4186 0.2767 0.2345 -0.0024 -0.0156 0.0371 192 GLN A CB 2594 C CG . GLN A 180 ? 0.4524 0.2870 0.2552 0.0152 0.0031 0.0389 192 GLN A CG 2595 C CD . GLN A 180 ? 0.4751 0.2668 0.2914 0.0112 0.0060 0.0298 192 GLN A CD 2596 O OE1 . GLN A 180 ? 0.4617 0.2480 0.3084 -0.0070 0.0237 0.0295 192 GLN A OE1 2597 N NE2 . GLN A 180 ? 0.5091 0.2623 0.3010 0.0357 0.0011 0.0243 192 GLN A NE2 2606 N N . LYS A 181 ? 0.4043 0.3350 0.2895 0.0558 -0.0473 0.0506 193 LYS A N 2607 C CA . LYS A 181 ? 0.4128 0.3494 0.3050 0.0918 -0.0527 0.0334 193 LYS A CA 2608 C C . LYS A 181 ? 0.4186 0.3219 0.3069 0.0768 -0.0304 0.0456 193 LYS A C 2609 O O . LYS A 181 ? 0.4142 0.3274 0.3301 0.0829 -0.0008 0.0376 193 LYS A O 2610 C CB . LYS A 181 ? 0.4651 0.4342 0.3016 0.1248 -0.0797 -0.0002 193 LYS A CB 2611 C CG . LYS A 181 ? 0.5324 0.5281 0.3582 0.1055 -0.0513 0.0475 193 LYS A CG 2612 C CD . LYS A 181 ? 0.5753 0.5846 0.3347 0.0698 -0.0451 0.0614 193 LYS A CD 2613 C CE . LYS A 181 ? 0.6147 0.6145 0.3781 0.0197 -0.0270 0.0888 193 LYS A CE 2614 N NZ . LYS A 181 ? 0.6335 0.6243 0.3601 -0.0098 -0.0522 0.1282 193 LYS A NZ 2628 N N . VAL A 182 ? 0.4219 0.2924 0.3085 0.0871 -0.0227 0.0379 194 VAL A N 2629 C CA . VAL A 182 ? 0.4139 0.2932 0.2799 0.0753 -0.0062 0.0491 194 VAL A CA 2630 C C . VAL A 182 ? 0.4077 0.3151 0.3009 0.0655 -0.0235 0.0221 194 VAL A C 2631 O O . VAL A 182 ? 0.4088 0.3398 0.3168 0.0755 -0.0249 0.0165 194 VAL A O 2632 C CB . VAL A 182 ? 0.4161 0.2840 0.2879 0.0677 -0.0098 0.0457 194 VAL A CB 2633 C CG1 . VAL A 182 ? 0.4237 0.3070 0.3071 0.0750 -0.0038 0.0134 194 VAL A CG1 2634 C CG2 . VAL A 182 ? 0.4029 0.2920 0.3004 0.0629 -0.0324 0.0615 194 VAL A CG2 2644 N N . ALA A 183 ? 0.3947 0.3356 0.2875 0.0385 -0.0028 0.0265 195 ALA A N 2645 C CA . ALA A 183 ? 0.4103 0.3257 0.2939 0.0405 -0.0053 0.0347 195 ALA A CA 2646 C C . ALA A 183 ? 0.4406 0.3317 0.3163 0.0534 -0.0307 0.0230 195 ALA A C 2647 O O . ALA A 183 ? 0.4376 0.3388 0.3000 0.0524 -0.0489 0.0452 195 ALA A O 2648 C CB . ALA A 183 ? 0.4397 0.3326 0.3133 0.0109 0.0147 0.0677 195 ALA A CB 2654 N N . SER A 184 ? 0.4393 0.3196 0.3364 0.0867 -0.0305 -0.0081 196 SER A N 2655 C CA . SER A 184 ? 0.4327 0.3313 0.3576 0.1065 -0.0103 -0.0107 196 SER A CA 2656 C C . SER A 184 ? 0.4260 0.3343 0.3562 0.0970 -0.0172 0.0044 196 SER A C 2657 O O . SER A 184 ? 0.4097 0.3191 0.3999 0.1036 -0.0508 0.0183 196 SER A O 2658 C CB . SER A 184 ? 0.4569 0.3431 0.3816 0.1173 -0.0075 -0.0079 196 SER A CB 2659 O OG . SER A 184 ? 0.4700 0.3527 0.3704 0.1137 0.0198 0.0247 196 SER A OG 2665 N N . ASN A 185 ? 0.4348 0.3471 0.3144 0.0981 0.0031 0.0404 197 ASN A N 2666 C CA . ASN A 185 ? 0.4204 0.3706 0.3114 0.0762 -0.0106 0.0266 197 ASN A CA 2667 C C . ASN A 185 ? 0.4321 0.3476 0.3277 0.0711 -0.0219 0.0165 197 ASN A C 2668 O O . ASN A 185 ? 0.4289 0.3468 0.3094 0.0605 -0.0520 -0.0051 197 ASN A O 2669 C CB . ASN A 185 ? 0.4281 0.3924 0.3033 0.0726 0.0035 0.0197 197 ASN A CB 2670 C CG . ASN A 185 ? 0.4480 0.3961 0.3263 0.0841 0.0055 -0.0060 197 ASN A CG 2671 O OD1 . ASN A 185 ? 0.4600 0.3854 0.3339 0.0828 0.0266 -0.0123 197 ASN A OD1 2672 N ND2 . ASN A 185 ? 0.4516 0.4163 0.3180 0.0822 -0.0281 -0.0204 197 ASN A ND2 2679 N N . PRO A 186 ? 0.4625 0.3558 0.3329 0.0721 -0.0323 0.0205 198 PRO A N 2680 C CA . PRO A 186 ? 0.4680 0.3692 0.3362 0.0624 -0.0663 0.0235 198 PRO A CA 2681 C C . PRO A 186 ? 0.4531 0.3744 0.3161 0.0722 -0.0652 0.0261 198 PRO A C 2682 O O . PRO A 186 ? 0.4577 0.3871 0.3179 0.0874 -0.0677 0.0241 198 PRO A O 2683 C CB . PRO A 186 ? 0.4914 0.3716 0.3616 0.0407 -0.0698 0.0385 198 PRO A CB 2684 C CG . PRO A 186 ? 0.4977 0.3579 0.3545 0.0667 -0.0524 0.0518 198 PRO A CG 2685 C CD . PRO A 186 ? 0.4781 0.3643 0.3252 0.0862 -0.0639 0.0404 198 PRO A CD 2693 N N . GLY A 187 ? 0.4524 0.3617 0.2979 0.0847 -0.0695 0.0199 199 GLY A N 2694 C CA . GLY A 187 ? 0.4508 0.3653 0.3381 0.0632 -0.0675 0.0021 199 GLY A CA 2695 C C . GLY A 187 ? 0.4294 0.3349 0.3330 0.0712 -0.0546 -0.0091 199 GLY A C 2696 O O . GLY A 187 ? 0.4380 0.3411 0.3297 0.0632 -0.0738 -0.0091 199 GLY A O 2700 N N . LEU A 188 ? 0.4086 0.3059 0.3157 0.0583 -0.0430 0.0047 200 LEU A N 2701 C CA . LEU A 188 ? 0.3736 0.2899 0.2788 0.0496 -0.0322 -0.0015 200 LEU A CA 2702 C C . LEU A 188 ? 0.3701 0.2938 0.2705 0.0533 -0.0455 0.0077 200 LEU A C 2703 O O . LEU A 188 ? 0.3702 0.2869 0.3189 0.0432 -0.0498 0.0242 200 LEU A O 2704 C CB . LEU A 188 ? 0.3748 0.2642 0.2746 0.0697 -0.0274 0.0127 200 LEU A CB 2705 C CG . LEU A 188 ? 0.4012 0.2518 0.2721 0.0647 -0.0431 -0.0044 200 LEU A CG 2706 C CD1 . LEU A 188 ? 0.3756 0.2993 0.3083 0.0417 -0.0514 -0.0027 200 LEU A CD1 2707 C CD2 . LEU A 188 ? 0.4399 0.2548 0.2644 0.0452 -0.0193 0.0024 200 LEU A CD2 2719 N N . ARG A 189 ? 0.3652 0.3299 0.2867 0.0595 -0.0388 0.0190 201 ARG A N 2720 C CA . ARG A 189 ? 0.3616 0.3390 0.2839 0.0576 -0.0332 0.0169 201 ARG A CA 2721 C C . ARG A 189 ? 0.3644 0.3263 0.2701 0.0436 -0.0246 0.0052 201 ARG A C 2722 O O . ARG A 189 ? 0.3905 0.3324 0.2676 0.0107 -0.0333 0.0153 201 ARG A O 2723 C CB . ARG A 189 ? 0.3705 0.3280 0.2793 0.0693 -0.0368 0.0143 201 ARG A CB 2724 C CG . ARG A 189 ? 0.3615 0.3286 0.2955 0.0552 -0.0245 -0.0029 201 ARG A CG 2725 C CD . ARG A 189 ? 0.3731 0.3440 0.3000 0.0554 -0.0202 0.0068 201 ARG A CD 2726 N NE . ARG A 189 ? 0.4045 0.3539 0.3114 0.0586 -0.0273 0.0152 201 ARG A NE 2727 C CZ . ARG A 189 ? 0.4404 0.3600 0.3001 0.0589 -0.0329 0.0297 201 ARG A CZ 2728 N NH1 . ARG A 189 ? 0.4578 0.3809 0.2986 0.0625 -0.0023 0.0396 201 ARG A NH1 2729 N NH2 . ARG A 189 ? 0.4672 0.3736 0.3253 0.0568 -0.0541 0.0336 201 ARG A NH2 2743 N N . ILE A 190 ? 0.3461 0.3182 0.2517 0.0421 -0.0487 -0.0112 202 ILE A N 2744 C CA . ILE A 190 ? 0.2994 0.2875 0.2713 0.0472 -0.0629 -0.0004 202 ILE A CA 2745 C C . ILE A 190 ? 0.3058 0.2857 0.2798 0.0395 -0.0173 -0.0017 202 ILE A C 2746 O O . ILE A 190 ? 0.2919 0.2788 0.2964 0.0200 0.0126 0.0091 202 ILE A O 2747 C CB . ILE A 190 ? 0.3129 0.2977 0.3130 0.0325 -0.0727 0.0016 202 ILE A CB 2748 C CG1 . ILE A 190 ? 0.3393 0.3233 0.3395 0.0313 -0.0690 0.0009 202 ILE A CG1 2749 C CG2 . ILE A 190 ? 0.3246 0.3039 0.3339 0.0035 -0.0583 -0.0102 202 ILE A CG2 2750 C CD1 . ILE A 190 ? 0.3544 0.3130 0.3596 0.0378 -0.0491 -0.0002 202 ILE A CD1 2762 N N . ILE A 191 ? 0.3112 0.2687 0.2929 0.0480 -0.0352 -0.0009 203 ILE A N 2763 C CA . ILE A 191 ? 0.2897 0.2577 0.2511 0.0399 -0.0107 0.0163 203 ILE A CA 2764 C C . ILE A 191 ? 0.2890 0.2362 0.2443 0.0215 -0.0077 0.0192 203 ILE A C 2765 O O . ILE A 191 ? 0.3141 0.2852 0.2658 0.0079 -0.0169 0.0163 203 ILE A O 2766 C CB . ILE A 191 ? 0.3088 0.2824 0.2617 0.0403 -0.0178 0.0122 203 ILE A CB 2767 C CG1 . ILE A 191 ? 0.2809 0.2895 0.2833 -0.0007 0.0006 0.0124 203 ILE A CG1 2768 C CG2 . ILE A 191 ? 0.3447 0.3095 0.2567 0.0230 -0.0099 0.0015 203 ILE A CG2 2769 C CD1 . ILE A 191 ? 0.3026 0.3012 0.3143 0.0069 -0.0144 0.0082 203 ILE A CD1 2781 N N . SER A 192 ? 0.2878 0.2377 0.2316 0.0193 -0.0154 0.0134 204 SER A N 2782 C CA . SER A 192 ? 0.2638 0.2240 0.2746 0.0036 -0.0225 0.0091 204 SER A CA 2783 C C . SER A 192 ? 0.2937 0.2346 0.2649 -0.0087 -0.0097 0.0238 204 SER A C 2784 O O . SER A 192 ? 0.3263 0.2501 0.2778 0.0062 0.0122 0.0184 204 SER A O 2785 C CB . SER A 192 ? 0.2879 0.2343 0.3111 0.0184 -0.0211 0.0043 204 SER A CB 2786 O OG . SER A 192 ? 0.3084 0.2537 0.2695 -0.0014 -0.0148 0.0142 204 SER A OG 2792 N N . LEU A 193 ? 0.2931 0.2293 0.2631 -0.0200 0.0015 0.0274 205 LEU A N 2793 C CA . LEU A 193 ? 0.3151 0.2482 0.2541 -0.0065 0.0095 0.0217 205 LEU A CA 2794 C C . LEU A 193 ? 0.2998 0.2397 0.2552 0.0159 0.0028 0.0078 205 LEU A C 2795 O O . LEU A 193 ? 0.3371 0.2759 0.2667 0.0334 -0.0122 -0.0219 205 LEU A O 2796 C CB . LEU A 193 ? 0.3061 0.2851 0.2506 -0.0216 0.0089 0.0274 205 LEU A CB 2797 C CG . LEU A 193 ? 0.3228 0.2915 0.2707 -0.0202 0.0116 0.0379 205 LEU A CG 2798 C CD1 . LEU A 193 ? 0.3371 0.2824 0.2809 0.0049 0.0117 0.0433 205 LEU A CD1 2799 C CD2 . LEU A 193 ? 0.3173 0.3166 0.3026 -0.0269 0.0184 0.0521 205 LEU A CD2 2811 N N . ASN A 194 ? 0.2970 0.2672 0.2511 0.0269 -0.0037 0.0108 206 ASN A N 2812 C CA . ASN A 194 ? 0.2855 0.2718 0.2472 0.0486 -0.0213 0.0020 206 ASN A CA 2813 C C . ASN A 194 ? 0.3112 0.2626 0.2520 0.0337 -0.0054 0.0114 206 ASN A C 2814 O O . ASN A 194 ? 0.3316 0.2592 0.2617 0.0387 -0.0077 0.0026 206 ASN A O 2815 C CB . ASN A 194 ? 0.2749 0.2701 0.2679 0.0721 -0.0078 -0.0035 206 ASN A CB 2816 C CG . ASN A 194 ? 0.2789 0.2796 0.2736 0.0556 -0.0191 -0.0242 206 ASN A CG 2817 O OD1 . ASN A 194 ? 0.2857 0.2958 0.2774 0.0391 -0.0536 -0.0096 206 ASN A OD1 2818 N ND2 . ASN A 194 ? 0.2858 0.2843 0.3019 0.0754 -0.0291 0.0093 206 ASN A ND2 2825 N N . THR A 195 ? 0.3094 0.2268 0.2512 0.0169 -0.0076 -0.0045 207 THR A N 2826 C CA . THR A 195 ? 0.3156 0.2289 0.2521 0.0280 0.0009 -0.0119 207 THR A CA 2827 C C . THR A 195 ? 0.3325 0.2380 0.2597 0.0259 -0.0035 -0.0152 207 THR A C 2828 O O . THR A 195 ? 0.3686 0.2519 0.2702 0.0380 -0.0011 -0.0288 207 THR A O 2829 C CB . THR A 195 ? 0.3253 0.2463 0.2342 0.0039 -0.0175 -0.0277 207 THR A CB 2830 O OG1 . THR A 195 ? 0.3233 0.2401 0.2382 0.0225 0.0164 -0.0079 207 THR A OG1 2831 C CG2 . THR A 195 ? 0.3448 0.2646 0.2713 -0.0111 -0.0225 -0.0444 207 THR A CG2 2839 N N . ASN A 196 ? 0.3062 0.2347 0.2766 0.0043 -0.0406 -0.0004 208 ASN A N 2840 C CA . ASN A 196 ? 0.2922 0.2243 0.2796 0.0070 -0.0459 -0.0109 208 ASN A CA 2841 C C . ASN A 196 ? 0.3218 0.2296 0.2575 0.0090 -0.0326 -0.0013 208 ASN A C 2842 O O . ASN A 196 ? 0.3328 0.2497 0.2772 0.0230 -0.0068 0.0149 208 ASN A O 2843 C CB . ASN A 196 ? 0.3016 0.2272 0.3011 0.0193 -0.0170 0.0094 208 ASN A CB 2844 C CG . ASN A 196 ? 0.3108 0.2361 0.2929 0.0017 0.0076 -0.0115 208 ASN A CG 2845 O OD1 . ASN A 196 ? 0.3712 0.2672 0.2914 -0.0148 -0.0147 -0.0086 208 ASN A OD1 2846 N ND2 . ASN A 196 ? 0.2749 0.2127 0.3351 0.0214 0.0132 -0.0178 208 ASN A ND2 2853 N N . LEU A 197 ? 0.3530 0.2480 0.2826 -0.0042 -0.0281 0.0046 209 LEU A N 2854 C CA . LEU A 197 ? 0.3557 0.2084 0.2807 0.0181 -0.0246 0.0000 209 LEU A CA 2855 C C . LEU A 197 ? 0.3731 0.2239 0.3200 0.0325 -0.0204 0.0103 209 LEU A C 2856 O O . LEU A 197 ? 0.3558 0.2120 0.3301 0.0393 -0.0130 -0.0248 209 LEU A O 2857 C CB . LEU A 197 ? 0.3686 0.2318 0.2778 0.0185 -0.0317 -0.0203 209 LEU A CB 2858 C CG . LEU A 197 ? 0.3616 0.2649 0.3092 0.0105 -0.0202 -0.0041 209 LEU A CG 2859 C CD1 . LEU A 197 ? 0.3687 0.2942 0.3087 0.0013 -0.0120 -0.0029 209 LEU A CD1 2860 C CD2 . LEU A 197 ? 0.3749 0.2692 0.3540 -0.0043 -0.0134 0.0427 209 LEU A CD2 2872 N N . TYR A 198 ? 0.3528 0.2168 0.3053 0.0132 -0.0213 0.0084 210 TYR A N 2873 C CA . TYR A 198 ? 0.3492 0.2244 0.2768 0.0372 -0.0419 0.0175 210 TYR A CA 2874 C C . TYR A 198 ? 0.3911 0.2386 0.2956 0.0182 -0.0150 0.0127 210 TYR A C 2875 O O . TYR A 198 ? 0.4175 0.2339 0.3333 0.0129 -0.0002 0.0166 210 TYR A O 2876 C CB . TYR A 198 ? 0.3336 0.2192 0.2636 0.0484 -0.0313 -0.0154 210 TYR A CB 2877 C CG . TYR A 198 ? 0.3329 0.2292 0.2818 0.0271 -0.0080 0.0128 210 TYR A CG 2878 C CD1 . TYR A 198 ? 0.3331 0.2376 0.2927 0.0579 -0.0201 -0.0031 210 TYR A CD1 2879 C CD2 . TYR A 198 ? 0.3419 0.2560 0.2862 0.0004 -0.0205 0.0203 210 TYR A CD2 2880 C CE1 . TYR A 198 ? 0.3387 0.2483 0.2945 0.0517 -0.0232 0.0128 210 TYR A CE1 2881 C CE2 . TYR A 198 ? 0.3428 0.2758 0.2725 -0.0112 -0.0118 0.0077 210 TYR A CE2 2882 C CZ . TYR A 198 ? 0.3540 0.2493 0.2923 0.0215 -0.0120 0.0084 210 TYR A CZ 2883 O OH . TYR A 198 ? 0.3583 0.2579 0.3012 0.0147 -0.0029 0.0093 210 TYR A OH 2893 N N . TYR A 199 ? 0.3934 0.2467 0.2683 0.0200 -0.0035 -0.0073 211 TYR A N 2894 C CA . TYR A 199 ? 0.3590 0.2492 0.2759 0.0222 -0.0179 -0.0201 211 TYR A CA 2895 C C . TYR A 199 ? 0.3613 0.2638 0.2823 0.0171 0.0124 -0.0008 211 TYR A C 2896 O O . TYR A 199 ? 0.3638 0.2974 0.3158 0.0246 0.0197 -0.0160 211 TYR A O 2897 C CB . TYR A 199 ? 0.3936 0.2486 0.2919 0.0250 -0.0265 -0.0239 211 TYR A CB 2898 C CG . TYR A 199 ? 0.4190 0.2367 0.2817 0.0368 -0.0199 -0.0026 211 TYR A CG 2899 C CD1 . TYR A 199 ? 0.4342 0.2303 0.2897 0.0427 -0.0337 -0.0023 211 TYR A CD1 2900 C CD2 . TYR A 199 ? 0.4453 0.2423 0.3054 0.0399 -0.0226 -0.0046 211 TYR A CD2 2901 C CE1 . TYR A 199 ? 0.4572 0.2622 0.3061 0.0284 -0.0673 -0.0300 211 TYR A CE1 2902 C CE2 . TYR A 199 ? 0.4530 0.2718 0.3099 0.0711 -0.0280 -0.0222 211 TYR A CE2 2903 C CZ . TYR A 199 ? 0.4646 0.2891 0.3098 0.0604 -0.0482 -0.0180 211 TYR A CZ 2904 O OH . TYR A 199 ? 0.4897 0.3178 0.3469 0.0721 -0.0530 -0.0420 211 TYR A OH 2914 N N . GLY A 200 ? 0.3756 0.2826 0.3055 0.0090 -0.0168 0.0221 212 GLY A N 2915 C CA . GLY A 200 ? 0.3993 0.3089 0.3238 0.0070 -0.0300 0.0071 212 GLY A CA 2916 C C . GLY A 200 ? 0.4160 0.3164 0.3048 0.0166 -0.0093 0.0040 212 GLY A C 2917 O O . GLY A 200 ? 0.4354 0.3001 0.3027 0.0233 -0.0159 -0.0216 212 GLY A O 2921 N N . PRO A 201 ? 0.4055 0.3108 0.2944 0.0343 -0.0001 -0.0061 213 PRO A N 2922 C CA . PRO A 201 ? 0.3806 0.3229 0.2955 0.0561 0.0130 0.0016 213 PRO A CA 2923 C C . PRO A 201 ? 0.3598 0.3524 0.3124 0.0568 0.0055 0.0093 213 PRO A C 2924 O O . PRO A 201 ? 0.3631 0.3882 0.3379 0.0327 -0.0132 0.0305 213 PRO A O 2925 C CB . PRO A 201 ? 0.3936 0.3253 0.3159 0.0518 0.0134 -0.0168 213 PRO A CB 2926 C CG . PRO A 201 ? 0.4209 0.3041 0.3356 0.0644 -0.0023 -0.0138 213 PRO A CG 2927 C CD . PRO A 201 ? 0.4117 0.3113 0.3063 0.0651 -0.0261 -0.0039 213 PRO A CD 2935 N N . ASN A 202 ? 0.3467 0.3218 0.2968 0.0748 -0.0119 -0.0041 214 ASN A N 2936 C CA . ASN A 202 ? 0.3535 0.3114 0.2660 0.0704 -0.0375 -0.0119 214 ASN A CA 2937 C C . ASN A 202 ? 0.3546 0.3303 0.3198 0.0726 -0.0316 -0.0171 214 ASN A C 2938 O O . ASN A 202 ? 0.3459 0.3416 0.3763 0.0792 -0.0601 -0.0701 214 ASN A O 2939 C CB . ASN A 202 ? 0.3471 0.3202 0.2519 0.0648 -0.0354 -0.0076 214 ASN A CB 2940 C CG . ASN A 202 ? 0.3041 0.3193 0.2799 0.0545 -0.0350 0.0066 214 ASN A CG 2941 O OD1 . ASN A 202 ? 0.3191 0.3288 0.2991 0.0728 -0.0147 -0.0042 214 ASN A OD1 2942 N ND2 . ASN A 202 ? 0.3022 0.3272 0.2987 0.0695 -0.0408 0.0232 214 ASN A ND2 2949 N N . ILE A 203 ? 0.3512 0.3146 0.2879 0.0858 -0.0223 0.0179 215 ILE A N 2950 C CA . ILE A 203 ? 0.3988 0.3166 0.3087 0.0642 -0.0120 0.0101 215 ILE A CA 2951 C C . ILE A 203 ? 0.4225 0.2979 0.3146 0.0642 0.0118 -0.0139 215 ILE A C 2952 O O . ILE A 203 ? 0.4654 0.2970 0.3109 0.0819 0.0078 0.0013 215 ILE A O 2953 C CB . ILE A 203 ? 0.3908 0.3224 0.3359 0.0806 0.0013 0.0024 215 ILE A CB 2954 C CG1 . ILE A 203 ? 0.3944 0.3530 0.3651 0.0943 -0.0305 0.0268 215 ILE A CG1 2955 C CG2 . ILE A 203 ? 0.3992 0.3212 0.3384 0.0942 0.0145 -0.0342 215 ILE A CG2 2956 C CD1 . ILE A 203 ? 0.4206 0.3826 0.4077 0.0937 -0.0439 0.0206 215 ILE A CD1 2968 N N . MET A 204 ? 0.4427 0.3135 0.3086 0.0561 -0.0045 -0.0003 216 MET A N 2969 C CA . MET A 204 ? 0.4893 0.3415 0.3455 0.0911 0.0032 0.0038 216 MET A CA 2970 C C . MET A 204 ? 0.5377 0.3794 0.3271 0.1311 -0.0475 -0.0151 216 MET A C 2971 O O . MET A 204 ? 0.5973 0.4465 0.3730 0.1485 -0.0357 -0.0414 216 MET A O 2972 C CB . MET A 204 ? 0.5094 0.3715 0.4156 0.0861 0.0325 0.0187 216 MET A CB 2973 C CG . MET A 204 ? 0.5172 0.3798 0.5234 0.0670 0.0110 0.0379 216 MET A CG 2974 S SD . MET A 204 ? 0.5621 0.4375 0.6611 0.0396 -0.0036 0.0014 216 MET A SD 2975 C CE . MET A 204 ? 0.5465 0.4498 0.6677 0.0411 0.0066 0.0108 216 MET A CE 2985 N N . THR A 205 ? 0.5545 0.3736 0.3422 0.1104 -0.1086 -0.0341 217 THR A N 2986 C CA . THR A 205 ? 0.5554 0.3711 0.3836 0.1095 -0.1351 -0.0669 217 THR A CA 2987 C C . THR A 205 ? 0.5717 0.4373 0.4241 0.0984 -0.1496 -0.0168 217 THR A C 2988 O O . THR A 205 ? 0.5853 0.4334 0.4652 0.0932 -0.1319 -0.0121 217 THR A O 2989 C CB . THR A 205 ? 0.5676 0.4032 0.3688 0.1052 -0.0867 -0.0345 217 THR A CB 2990 O OG1 . THR A 205 ? 0.5920 0.4158 0.3402 0.1325 -0.1274 -0.0291 217 THR A OG1 2991 C CG2 . THR A 205 ? 0.5558 0.3849 0.3502 0.1215 -0.0356 -0.0540 217 THR A CG2 2999 N N . LEU A 206 ? 0.5953 0.4752 0.4509 0.1080 -0.1392 -0.0259 218 LEU A N 3000 C CA . LEU A 206 ? 0.6182 0.4905 0.5003 0.1250 -0.1474 -0.0176 218 LEU A CA 3001 C C . LEU A 206 ? 0.6238 0.4955 0.5433 0.1402 -0.1376 -0.0264 218 LEU A C 3002 O O . LEU A 206 ? 0.6234 0.4895 0.6159 0.1262 -0.0917 -0.0425 218 LEU A O 3003 C CB . LEU A 206 ? 0.6399 0.5127 0.5129 0.1207 -0.1564 -0.0018 218 LEU A CB 3004 C CG . LEU A 206 ? 0.6539 0.5279 0.5304 0.1131 -0.1789 0.0040 218 LEU A CG 3005 C CD1 . LEU A 206 ? 0.6578 0.5423 0.5127 0.1057 -0.2063 0.0037 218 LEU A CD1 3006 C CD2 . LEU A 206 ? 0.6658 0.5311 0.5548 0.1190 -0.1558 0.0218 218 LEU A CD2 3018 N N . ASN A 207 ? 0.6243 0.5092 0.5307 0.1573 -0.1615 -0.0344 219 ASN A N 3019 C CA . ASN A 207 ? 0.6274 0.5104 0.5438 0.1644 -0.1986 -0.0668 219 ASN A CA 3020 C C . ASN A 207 ? 0.5943 0.4798 0.5351 0.1755 -0.1776 -0.0747 219 ASN A C 3021 O O . ASN A 207 ? 0.5845 0.5000 0.5174 0.1828 -0.2016 -0.0854 219 ASN A O 3022 C CB . ASN A 207 ? 0.6620 0.5684 0.5892 0.1550 -0.2187 -0.0857 219 ASN A CB 3023 C CG . ASN A 207 ? 0.7080 0.6284 0.6432 0.1521 -0.2185 -0.0971 219 ASN A CG 3024 O OD1 . ASN A 207 ? 0.7169 0.6129 0.6641 0.1539 -0.1969 -0.1130 219 ASN A OD1 3025 N ND2 . ASN A 207 ? 0.7475 0.7054 0.7022 0.1390 -0.2328 -0.0990 219 ASN A ND2 3031 N N . LYS A 208 ? 0.5746 0.4491 0.5664 0.1577 -0.1187 -0.0848 220 LYS A N 3032 C CA . LYS A 208 ? 0.5444 0.4114 0.5604 0.1329 -0.1016 -0.0475 220 LYS A CA 3033 C C . LYS A 208 ? 0.4999 0.3763 0.4553 0.0960 -0.1081 -0.0339 220 LYS A C 3034 O O . LYS A 208 ? 0.4811 0.4020 0.4562 0.0725 -0.1435 -0.0244 220 LYS A O 3035 C CB . LYS A 208 ? 0.5631 0.4694 0.6567 0.1362 -0.1061 -0.0322 220 LYS A CB 3036 C CG . LYS A 208 ? 0.5813 0.5061 0.7177 0.1288 -0.1507 0.0078 220 LYS A CG 3037 C CD . LYS A 208 ? 0.5917 0.5220 0.7735 0.1491 -0.1672 0.0252 220 LYS A CD 3038 C CE . LYS A 208 ? 0.6114 0.5429 0.8154 0.1594 -0.1841 0.0498 220 LYS A CE 3039 N NZ . LYS A 208 ? 0.6208 0.5527 0.8272 0.1917 -0.2016 0.0566 220 LYS A NZ 3053 N N . THR A 209 ? 0.4804 0.3504 0.3909 0.0845 -0.0524 -0.0319 221 THR A N 3054 C CA . THR A 209 ? 0.4838 0.3453 0.3720 0.0792 -0.0456 -0.0256 221 THR A CA 3055 C C . THR A 209 ? 0.4374 0.3221 0.3403 0.0763 -0.0373 -0.0248 221 THR A C 3056 O O . THR A 209 ? 0.4307 0.3338 0.3262 0.0615 -0.0329 -0.0277 221 THR A O 3057 C CB . THR A 209 ? 0.5448 0.3738 0.4053 0.0641 -0.0475 -0.0354 221 THR A CB 3058 O OG1 . THR A 209 ? 0.5991 0.3964 0.4151 0.0607 -0.0404 -0.0818 221 THR A OG1 3059 C CG2 . THR A 209 ? 0.5504 0.3935 0.4421 0.0548 -0.0809 -0.0460 221 THR A CG2 3067 N N . ASP A 210 ? 0.4131 0.3022 0.3239 0.0832 -0.0284 -0.0203 222 ASP A N 3068 C CA . ASP A 210 ? 0.4043 0.3080 0.3275 0.0753 -0.0375 -0.0006 222 ASP A CA 3069 C C . ASP A 210 ? 0.3795 0.3161 0.3228 0.0615 -0.0511 -0.0189 222 ASP A C 3070 O O . ASP A 210 ? 0.3776 0.3269 0.3359 0.0440 -0.0123 -0.0377 222 ASP A O 3071 C CB . ASP A 210 ? 0.3995 0.3113 0.3221 0.0662 -0.0447 -0.0166 222 ASP A CB 3072 C CG . ASP A 210 ? 0.3952 0.3363 0.2962 0.0644 -0.0072 -0.0065 222 ASP A CG 3073 O OD1 . ASP A 210 ? 0.3710 0.3365 0.3070 0.0724 -0.0182 -0.0101 222 ASP A OD1 3074 O OD2 . ASP A 210 ? 0.3948 0.3383 0.2978 0.0640 0.0111 0.0090 222 ASP A OD2 3079 N N . PRO A 211 ? 0.3748 0.3431 0.3114 0.0460 -0.0346 -0.0360 223 PRO A N 3080 C CA . PRO A 211 ? 0.3781 0.3834 0.3193 0.0313 -0.0584 -0.0180 223 PRO A CA 3081 C C . PRO A 211 ? 0.3651 0.3695 0.3047 0.0390 -0.0350 -0.0137 223 PRO A C 3082 O O . PRO A 211 ? 0.3672 0.3464 0.2902 0.0575 -0.0291 -0.0306 223 PRO A O 3083 C CB . PRO A 211 ? 0.3945 0.4114 0.3162 0.0097 -0.0438 -0.0396 223 PRO A CB 3084 C CG . PRO A 211 ? 0.3902 0.4142 0.3514 0.0080 -0.0368 -0.0452 223 PRO A CG 3085 C CD . PRO A 211 ? 0.3932 0.3596 0.3345 0.0174 -0.0268 -0.0318 223 PRO A CD 3093 N N . ALA A 212 ? 0.3298 0.3722 0.3181 0.0179 -0.0362 -0.0197 224 ALA A N 3094 C CA . ALA A 212 ? 0.3391 0.3651 0.3063 0.0300 -0.0145 -0.0178 224 ALA A CA 3095 C C . ALA A 212 ? 0.3374 0.3409 0.3090 0.0350 0.0024 -0.0174 224 ALA A C 3096 O O . ALA A 212 ? 0.3480 0.3190 0.2996 0.0475 -0.0158 -0.0002 224 ALA A O 3097 C CB . ALA A 212 ? 0.3331 0.3628 0.3224 0.0349 -0.0291 -0.0345 224 ALA A CB 3103 N N . ASN A 213 ? 0.3349 0.3182 0.3093 0.0405 0.0015 -0.0062 225 ASN A N 3104 C CA . ASN A 213 ? 0.3330 0.3407 0.2931 0.0368 -0.0035 -0.0519 225 ASN A CA 3105 C C . ASN A 213 ? 0.3136 0.3239 0.2714 0.0490 -0.0256 -0.0471 225 ASN A C 3106 O O . ASN A 213 ? 0.3288 0.3462 0.2946 0.0670 -0.0153 -0.0216 225 ASN A O 3107 C CB . ASN A 213 ? 0.3658 0.4188 0.3458 0.0531 0.0120 -0.0601 225 ASN A CB 3108 C CG . ASN A 213 ? 0.4078 0.4874 0.3974 0.0601 0.0451 -0.0619 225 ASN A CG 3109 O OD1 . ASN A 213 ? 0.4434 0.5164 0.4225 0.0789 0.0293 -0.0882 225 ASN A OD1 3110 N ND2 . ASN A 213 ? 0.4246 0.5472 0.4420 0.0662 0.0773 -0.0326 225 ASN A ND2 3117 N N . GLN A 214 ? 0.3326 0.3126 0.2436 0.0518 -0.0030 -0.0380 226 GLN A N 3118 C CA . GLN A 214 ? 0.3193 0.2673 0.2633 0.0265 -0.0151 -0.0323 226 GLN A CA 3119 C C . GLN A 214 ? 0.3419 0.2792 0.2664 0.0258 -0.0197 -0.0365 226 GLN A C 3120 O O . GLN A 214 ? 0.3198 0.2784 0.2576 0.0281 -0.0252 -0.0030 226 GLN A O 3121 C CB . GLN A 214 ? 0.3361 0.2598 0.2780 0.0204 -0.0157 -0.0522 226 GLN A CB 3122 C CG . GLN A 214 ? 0.3243 0.2621 0.2581 0.0333 -0.0201 -0.0460 226 GLN A CG 3123 C CD . GLN A 214 ? 0.3230 0.2755 0.2549 0.0433 0.0018 -0.0185 226 GLN A CD 3124 O OE1 . GLN A 214 ? 0.3095 0.2684 0.2628 0.0341 -0.0087 -0.0224 226 GLN A OE1 3125 N NE2 . GLN A 214 ? 0.3380 0.2785 0.2737 0.0304 0.0053 -0.0157 226 GLN A NE2 3134 N N . PHE A 215 ? 0.3572 0.2709 0.2739 0.0158 -0.0428 -0.0528 227 PHE A N 3135 C CA . PHE A 215 ? 0.3569 0.2889 0.2803 0.0150 -0.0253 -0.0371 227 PHE A CA 3136 C C . PHE A 215 ? 0.3522 0.2781 0.2600 0.0248 -0.0163 -0.0146 227 PHE A C 3137 O O . PHE A 215 ? 0.3555 0.2736 0.2800 0.0259 -0.0182 -0.0066 227 PHE A O 3138 C CB . PHE A 215 ? 0.3759 0.2712 0.2979 0.0230 -0.0139 -0.0343 227 PHE A CB 3139 C CG . PHE A 215 ? 0.3796 0.2677 0.3065 0.0172 -0.0066 -0.0425 227 PHE A CG 3140 C CD1 . PHE A 215 ? 0.3984 0.2824 0.3152 0.0084 -0.0134 -0.0499 227 PHE A CD1 3141 C CD2 . PHE A 215 ? 0.3868 0.2806 0.3115 0.0271 -0.0065 -0.0035 227 PHE A CD2 3142 C CE1 . PHE A 215 ? 0.3968 0.2919 0.3182 -0.0018 -0.0074 -0.0293 227 PHE A CE1 3143 C CE2 . PHE A 215 ? 0.3857 0.2960 0.3008 0.0195 -0.0240 -0.0138 227 PHE A CE2 3144 C CZ . PHE A 215 ? 0.3804 0.2800 0.3058 0.0001 -0.0102 -0.0267 227 PHE A CZ 3154 N N . GLU A 216 ? 0.3678 0.2787 0.2480 0.0290 -0.0144 -0.0098 228 GLU A N 3155 C CA . GLU A 216 ? 0.3915 0.3009 0.2610 0.0440 -0.0103 0.0023 228 GLU A CA 3156 C C . GLU A 216 ? 0.3810 0.2961 0.2754 0.0364 0.0014 -0.0114 228 GLU A C 3157 O O . GLU A 216 ? 0.3639 0.3086 0.2593 0.0160 -0.0239 -0.0215 228 GLU A O 3158 C CB . GLU A 216 ? 0.4383 0.3672 0.2580 0.0793 -0.0050 -0.0225 228 GLU A CB 3159 C CG . GLU A 216 ? 0.4888 0.4682 0.3123 0.1065 -0.0200 -0.0682 228 GLU A CG 3160 C CD . GLU A 216 ? 0.5544 0.5795 0.3894 0.0928 -0.0116 -0.1033 228 GLU A CD 3161 O OE1 . GLU A 216 ? 0.5844 0.6327 0.4239 0.1126 -0.0058 -0.0977 228 GLU A OE1 3162 O OE2 . GLU A 216 ? 0.5929 0.6161 0.4470 0.0740 0.0198 -0.1388 228 GLU A OE2 3169 N N . TRP A 217 ? 0.3730 0.2921 0.2925 0.0411 0.0239 -0.0213 229 TRP A N 3170 C CA . TRP A 217 ? 0.3451 0.2773 0.2876 0.0121 0.0148 -0.0115 229 TRP A CA 3171 C C . TRP A 217 ? 0.3133 0.2723 0.2659 0.0121 0.0111 -0.0224 229 TRP A C 3172 O O . TRP A 217 ? 0.2774 0.2995 0.3073 -0.0083 0.0107 -0.0132 229 TRP A O 3173 C CB . TRP A 217 ? 0.3366 0.2745 0.2705 0.0079 0.0275 -0.0197 229 TRP A CB 3174 C CG . TRP A 217 ? 0.3312 0.2627 0.2709 0.0216 0.0138 -0.0157 229 TRP A CG 3175 C CD1 . TRP A 217 ? 0.3361 0.2764 0.2797 0.0064 0.0179 -0.0365 229 TRP A CD1 3176 C CD2 . TRP A 217 ? 0.3301 0.2688 0.2968 -0.0053 0.0089 -0.0179 229 TRP A CD2 3177 N NE1 . TRP A 217 ? 0.3559 0.2981 0.2824 -0.0134 0.0119 -0.0378 229 TRP A NE1 3178 C CE2 . TRP A 217 ? 0.3502 0.2840 0.2917 0.0187 0.0036 -0.0190 229 TRP A CE2 3179 C CE3 . TRP A 217 ? 0.3325 0.2581 0.3185 0.0145 0.0417 -0.0172 229 TRP A CE3 3180 C CZ2 . TRP A 217 ? 0.3461 0.2762 0.3265 0.0186 -0.0091 -0.0198 229 TRP A CZ2 3181 C CZ3 . TRP A 217 ? 0.3475 0.2495 0.3183 0.0164 0.0147 -0.0069 229 TRP A CZ3 3182 C CH2 . TRP A 217 ? 0.3415 0.2486 0.3412 0.0135 0.0267 0.0039 229 TRP A CH2 3193 N N . LEU A 218 ? 0.3448 0.2780 0.2564 0.0264 -0.0026 -0.0223 230 LEU A N 3194 C CA . LEU A 218 ? 0.3424 0.2633 0.2416 0.0286 -0.0212 -0.0232 230 LEU A CA 3195 C C . LEU A 218 ? 0.3529 0.2783 0.2622 0.0058 -0.0207 -0.0172 230 LEU A C 3196 O O . LEU A 218 ? 0.3536 0.2983 0.2268 0.0077 -0.0389 0.0023 230 LEU A O 3197 C CB . LEU A 218 ? 0.3467 0.2602 0.2428 -0.0046 0.0097 -0.0017 230 LEU A CB 3198 C CG . LEU A 218 ? 0.3560 0.2666 0.2636 0.0235 0.0033 0.0194 230 LEU A CG 3199 C CD1 . LEU A 218 ? 0.3590 0.2798 0.2965 0.0354 -0.0022 -0.0125 230 LEU A CD1 3200 C CD2 . LEU A 218 ? 0.3550 0.2933 0.2494 0.0375 -0.0087 0.0232 230 LEU A CD2 3212 N N . GLU A 219 ? 0.3552 0.2679 0.2753 -0.0119 -0.0126 -0.0129 231 GLU A N 3213 C CA . GLU A 219 ? 0.3549 0.2777 0.2658 -0.0099 -0.0430 -0.0135 231 GLU A CA 3214 C C . GLU A 219 ? 0.3623 0.2908 0.2856 0.0077 -0.0266 -0.0149 231 GLU A C 3215 O O . GLU A 219 ? 0.3687 0.3182 0.2782 -0.0102 -0.0172 -0.0005 231 GLU A O 3216 C CB . GLU A 219 ? 0.3859 0.3031 0.3074 -0.0512 -0.0311 0.0108 231 GLU A CB 3217 C CG . GLU A 219 ? 0.4620 0.3611 0.3738 -0.0204 -0.0106 0.0048 231 GLU A CG 3218 C CD . GLU A 219 ? 0.5676 0.4143 0.4633 -0.0069 0.0556 -0.0242 231 GLU A CD 3219 O OE1 . GLU A 219 ? 0.5773 0.4570 0.5364 0.0103 0.0571 -0.0310 231 GLU A OE1 3220 O OE2 . GLU A 219 ? 0.6285 0.4398 0.5117 0.0036 0.0638 -0.0411 231 GLU A OE2 3227 N N . ASN A 220 ? 0.3732 0.2914 0.2867 0.0132 -0.0275 -0.0175 232 ASN A N 3228 C CA A ASN A 220 ? 0.3660 0.2929 0.2873 0.0171 -0.0289 -0.0237 232 ASN A CA 3229 C CA B ASN A 220 ? 0.3732 0.2919 0.2776 0.0131 -0.0305 -0.0216 232 ASN A CA 3230 C C . ASN A 220 ? 0.3619 0.2821 0.2607 0.0183 -0.0138 -0.0205 232 ASN A C 3231 O O . ASN A 220 ? 0.3474 0.3005 0.2682 0.0294 -0.0235 -0.0204 232 ASN A O 3232 C CB A ASN A 220 ? 0.3702 0.3089 0.3078 0.0345 -0.0249 -0.0294 232 ASN A CB 3233 C CB B ASN A 220 ? 0.3929 0.3055 0.2714 0.0246 -0.0246 -0.0240 232 ASN A CB 3234 C CG A ASN A 220 ? 0.3815 0.3392 0.3489 0.0297 -0.0270 -0.0421 232 ASN A CG 3235 C CG B ASN A 220 ? 0.4225 0.3399 0.2950 0.0135 -0.0253 -0.0348 232 ASN A CG 3236 O OD1 A ASN A 220 ? 0.3964 0.3465 0.3697 0.0198 0.0041 -0.0734 232 ASN A OD1 3237 O OD1 B ASN A 220 ? 0.4450 0.3562 0.2966 -0.0048 -0.0138 -0.0632 232 ASN A OD1 3238 N ND2 A ASN A 220 ? 0.3868 0.3633 0.3507 0.0396 -0.0585 -0.0239 232 ASN A ND2 3239 N ND2 B ASN A 220 ? 0.4299 0.3688 0.3298 0.0126 -0.0175 -0.0191 232 ASN A ND2 3250 N N . THR A 221 ? 0.3600 0.2614 0.2412 0.0093 -0.0380 0.0067 233 THR A N 3251 C CA . THR A 221 ? 0.3429 0.3110 0.2809 0.0147 -0.0156 -0.0170 233 THR A CA 3252 C C . THR A 221 ? 0.3456 0.3266 0.2707 0.0099 -0.0118 -0.0127 233 THR A C 3253 O O . THR A 221 ? 0.3413 0.3352 0.2738 0.0109 -0.0186 -0.0128 233 THR A O 3254 C CB . THR A 221 ? 0.3301 0.3156 0.3097 0.0167 -0.0019 -0.0114 233 THR A CB 3255 O OG1 . THR A 221 ? 0.3293 0.3199 0.3066 0.0180 -0.0040 0.0053 233 THR A OG1 3256 C CG2 . THR A 221 ? 0.3116 0.3161 0.3305 -0.0013 -0.0005 -0.0077 233 THR A CG2 3264 N N . LEU A 222 ? 0.3402 0.3029 0.2543 0.0092 0.0142 -0.0261 234 LEU A N 3265 C CA . LEU A 222 ? 0.3378 0.3233 0.2446 -0.0118 -0.0002 -0.0058 234 LEU A CA 3266 C C . LEU A 222 ? 0.3368 0.3270 0.2511 0.0040 -0.0216 0.0002 234 LEU A C 3267 O O . LEU A 222 ? 0.3309 0.3123 0.2653 0.0131 -0.0165 0.0017 234 LEU A O 3268 C CB . LEU A 222 ? 0.3368 0.3302 0.2072 0.0032 0.0124 -0.0116 234 LEU A CB 3269 C CG . LEU A 222 ? 0.3611 0.3529 0.2324 0.0088 0.0346 -0.0148 234 LEU A CG 3270 C CD1 . LEU A 222 ? 0.3508 0.3526 0.2319 0.0434 0.0322 -0.0103 234 LEU A CD1 3271 C CD2 . LEU A 222 ? 0.3913 0.3777 0.2441 -0.0227 0.0650 -0.0072 234 LEU A CD2 3283 N N . ASN A 223 ? 0.3405 0.3299 0.2677 -0.0011 -0.0265 -0.0154 235 ASN A N 3284 C CA . ASN A 223 ? 0.3782 0.3615 0.2595 -0.0062 -0.0299 -0.0200 235 ASN A CA 3285 C C . ASN A 223 ? 0.3717 0.3533 0.2651 0.0021 -0.0206 -0.0230 235 ASN A C 3286 O O . ASN A 223 ? 0.3541 0.3598 0.2888 0.0139 -0.0360 -0.0063 235 ASN A O 3287 C CB . ASN A 223 ? 0.4396 0.4026 0.2794 -0.0154 -0.0192 -0.0307 235 ASN A CB 3288 C CG . ASN A 223 ? 0.5303 0.4503 0.3420 -0.0013 -0.0787 -0.0453 235 ASN A CG 3289 O OD1 . ASN A 223 ? 0.5704 0.4650 0.3391 -0.0324 -0.1079 -0.0311 235 ASN A OD1 3290 N ND2 . ASN A 223 ? 0.5674 0.4942 0.4004 -0.0114 -0.1243 -0.0592 235 ASN A ND2 3296 N N . SER A 224 ? 0.3740 0.3243 0.2425 0.0014 0.0032 -0.0253 236 SER A N 3297 C CA . SER A 224 ? 0.3830 0.3461 0.2624 -0.0077 -0.0077 -0.0150 236 SER A CA 3298 C C . SER A 224 ? 0.3710 0.3220 0.2832 0.0153 -0.0422 -0.0112 236 SER A C 3299 O O . SER A 224 ? 0.3799 0.3413 0.2827 0.0142 -0.0664 0.0102 236 SER A O 3300 C CB . SER A 224 ? 0.4059 0.3640 0.2577 -0.0164 0.0069 -0.0128 236 SER A CB 3301 O OG . SER A 224 ? 0.4364 0.3919 0.3369 -0.0209 0.0059 -0.0054 236 SER A OG 3307 N N . SER A 225 ? 0.3721 0.3227 0.2515 0.0269 -0.0588 -0.0169 237 SER A N 3308 C CA . SER A 225 ? 0.3692 0.3344 0.2685 0.0345 -0.0620 -0.0235 237 SER A CA 3309 C C . SER A 225 ? 0.3720 0.3685 0.2890 0.0331 -0.0810 -0.0141 237 SER A C 3310 O O . SER A 225 ? 0.3907 0.3793 0.3144 0.0243 -0.1017 -0.0127 237 SER A O 3311 C CB . SER A 225 ? 0.3795 0.3427 0.2975 0.0419 -0.0533 -0.0369 237 SER A CB 3312 O OG . SER A 225 ? 0.3903 0.3574 0.2915 0.0429 -0.0420 -0.0412 237 SER A OG 3318 N N . LEU A 226 ? 0.3412 0.3763 0.2940 0.0174 -0.0522 -0.0011 238 LEU A N 3319 C CA . LEU A 226 ? 0.3357 0.3913 0.3105 0.0063 -0.0658 0.0185 238 LEU A CA 3320 C C . LEU A 226 ? 0.3463 0.3788 0.3019 0.0185 -0.0661 0.0084 238 LEU A C 3321 O O . LEU A 226 ? 0.3430 0.3894 0.3341 0.0424 -0.0761 0.0051 238 LEU A O 3322 C CB . LEU A 226 ? 0.3409 0.4086 0.3592 -0.0126 -0.0417 0.0073 238 LEU A CB 3323 C CG . LEU A 226 ? 0.3635 0.4233 0.3921 -0.0214 -0.0100 0.0158 238 LEU A CG 3324 C CD1 . LEU A 226 ? 0.3621 0.4402 0.4401 -0.0186 -0.0220 0.0372 238 LEU A CD1 3325 C CD2 . LEU A 226 ? 0.3681 0.4251 0.3952 -0.0403 0.0100 0.0153 238 LEU A CD2 3337 N N . TRP A 227 ? 0.3738 0.3542 0.2967 -0.0097 -0.0410 0.0297 239 TRP A N 3338 C CA . TRP A 227 ? 0.4220 0.3742 0.3060 0.0009 -0.0487 0.0032 239 TRP A CA 3339 C C . TRP A 227 ? 0.4579 0.3787 0.3149 0.0137 -0.0885 0.0264 239 TRP A C 3340 O O . TRP A 227 ? 0.5115 0.3909 0.3325 0.0149 -0.1135 0.0177 239 TRP A O 3341 C CB . TRP A 227 ? 0.4186 0.3973 0.3055 -0.0061 -0.0170 -0.0044 239 TRP A CB 3342 C CG . TRP A 227 ? 0.4112 0.4038 0.3192 -0.0331 -0.0294 -0.0395 239 TRP A CG 3343 C CD1 . TRP A 227 ? 0.4049 0.4014 0.3192 -0.0408 -0.0281 -0.0423 239 TRP A CD1 3344 C CD2 . TRP A 227 ? 0.4113 0.4329 0.3726 -0.0349 -0.0383 -0.0403 239 TRP A CD2 3345 N NE1 . TRP A 227 ? 0.4001 0.4238 0.3271 -0.0396 -0.0203 -0.0201 239 TRP A NE1 3346 C CE2 . TRP A 227 ? 0.4027 0.4402 0.3672 -0.0532 -0.0201 -0.0492 239 TRP A CE2 3347 C CE3 . TRP A 227 ? 0.4239 0.4530 0.4216 -0.0344 -0.0606 -0.0685 239 TRP A CE3 3348 C CZ2 . TRP A 227 ? 0.4111 0.4743 0.4076 -0.0554 -0.0505 -0.0477 239 TRP A CZ2 3349 C CZ3 . TRP A 227 ? 0.4258 0.4727 0.4670 -0.0401 -0.0653 -0.0608 239 TRP A CZ3 3350 C CH2 . TRP A 227 ? 0.4264 0.4753 0.4538 -0.0421 -0.0614 -0.0504 239 TRP A CH2 3361 N N . ASN A 228 ? 0.4698 0.3928 0.3211 0.0294 -0.0899 0.0177 240 ASN A N 3362 C CA . ASN A 228 ? 0.4901 0.4193 0.3378 0.0416 -0.0899 0.0190 240 ASN A CA 3363 C C . ASN A 228 ? 0.5023 0.4167 0.3294 0.0682 -0.0868 -0.0022 240 ASN A C 3364 O O . ASN A 228 ? 0.5348 0.4257 0.3625 0.0802 -0.0639 0.0024 240 ASN A O 3365 C CB . ASN A 228 ? 0.5188 0.4545 0.3346 0.0252 -0.1035 0.0407 240 ASN A CB 3366 C CG . ASN A 228 ? 0.5548 0.5076 0.3679 0.0234 -0.1289 0.0756 240 ASN A CG 3367 O OD1 . ASN A 228 ? 0.5790 0.5738 0.3851 0.0202 -0.1419 0.0834 240 ASN A OD1 3368 N ND2 . ASN A 228 ? 0.5749 0.4955 0.3982 0.0167 -0.1026 0.0938 240 ASN A ND2 3375 N N . LYS A 229 ? 0.4753 0.4238 0.2996 0.0751 -0.1007 0.0023 241 LYS A N 3376 C CA . LYS A 229 ? 0.4671 0.4479 0.3595 0.0864 -0.1043 -0.0117 241 LYS A CA 3377 C C . LYS A 229 ? 0.4507 0.4236 0.3468 0.0833 -0.0957 -0.0172 241 LYS A C 3378 O O . LYS A 229 ? 0.4764 0.4437 0.3967 0.0972 -0.1032 -0.0208 241 LYS A O 3379 C CB . LYS A 229 ? 0.5022 0.5151 0.4119 0.1004 -0.0917 -0.0129 241 LYS A CB 3380 C CG . LYS A 229 ? 0.5420 0.5821 0.4544 0.0924 -0.1005 -0.0125 241 LYS A CG 3381 C CD . LYS A 229 ? 0.6078 0.6337 0.5031 0.0798 -0.0581 -0.0067 241 LYS A CD 3382 C CE . LYS A 229 ? 0.6549 0.6826 0.5358 0.0660 -0.0134 -0.0088 241 LYS A CE 3383 N NZ . LYS A 229 ? 0.6861 0.7155 0.5574 0.0532 -0.0024 -0.0035 241 LYS A NZ 3397 N N . GLU A 230 ? 0.4296 0.3877 0.2999 0.0522 -0.0969 -0.0124 242 GLU A N 3398 C CA . GLU A 230 ? 0.4222 0.3724 0.2974 0.0418 -0.0812 -0.0023 242 GLU A CA 3399 C C . GLU A 230 ? 0.4364 0.3562 0.3158 0.0317 -0.0856 -0.0303 242 GLU A C 3400 O O . GLU A 230 ? 0.4703 0.3615 0.3513 0.0188 -0.0856 -0.0345 242 GLU A O 3401 C CB . GLU A 230 ? 0.4277 0.3835 0.3141 0.0146 -0.0508 0.0303 242 GLU A CB 3402 C CG . GLU A 230 ? 0.4347 0.4055 0.3387 0.0059 -0.0306 0.0363 242 GLU A CG 3403 C CD . GLU A 230 ? 0.4498 0.4090 0.3922 -0.0002 -0.0069 0.0561 242 GLU A CD 3404 O OE1 . GLU A 230 ? 0.4557 0.3932 0.3960 -0.0081 -0.0080 -0.0004 242 GLU A OE1 3405 O OE2 . GLU A 230 ? 0.4708 0.4307 0.4334 0.0101 0.0009 0.0921 242 GLU A OE2 3412 N N . LYS A 231 ? 0.3929 0.3540 0.3036 0.0509 -0.0877 -0.0316 243 LYS A N 3413 C CA . LYS A 231 ? 0.3815 0.3578 0.3220 0.0481 -0.0622 -0.0223 243 LYS A CA 3414 C C . LYS A 231 ? 0.3514 0.3532 0.3073 0.0590 -0.0553 -0.0131 243 LYS A C 3415 O O . LYS A 231 ? 0.3544 0.3561 0.3178 0.0765 -0.0529 -0.0139 243 LYS A O 3416 C CB . LYS A 231 ? 0.3832 0.3883 0.3244 0.0570 -0.0743 -0.0097 243 LYS A CB 3417 C CG . LYS A 231 ? 0.4180 0.4249 0.3917 0.0346 -0.0475 0.0038 243 LYS A CG 3418 C CD . LYS A 231 ? 0.4565 0.4633 0.4525 0.0185 -0.0344 0.0198 243 LYS A CD 3419 C CE . LYS A 231 ? 0.5189 0.4960 0.5029 -0.0130 0.0022 0.0211 243 LYS A CE 3420 N NZ . LYS A 231 ? 0.5503 0.5144 0.5172 -0.0301 0.0245 0.0088 243 LYS A NZ 3434 N N . VAL A 232 ? 0.3500 0.3562 0.2986 0.0657 -0.0271 -0.0282 244 VAL A N 3435 C CA . VAL A 232 ? 0.3489 0.3483 0.2855 0.0458 -0.0194 -0.0180 244 VAL A CA 3436 C C . VAL A 232 ? 0.3346 0.3227 0.2970 0.0424 0.0045 -0.0279 244 VAL A C 3437 O O . VAL A 232 ? 0.3354 0.3138 0.2763 0.0415 0.0043 -0.0062 244 VAL A O 3438 C CB . VAL A 232 ? 0.3722 0.3816 0.2513 0.0729 0.0005 -0.0337 244 VAL A CB 3439 C CG1 . VAL A 232 ? 0.3933 0.4095 0.3155 0.0655 0.0577 -0.0467 244 VAL A CG1 3440 C CG2 . VAL A 232 ? 0.3967 0.3797 0.2732 0.0963 0.0424 -0.0126 244 VAL A CG2 3450 N N . TYR A 233 ? 0.3237 0.3143 0.2705 0.0295 0.0027 -0.0102 245 TYR A N 3451 C CA . TYR A 233 ? 0.3034 0.3058 0.2532 0.0475 -0.0086 -0.0324 245 TYR A CA 3452 C C . TYR A 233 ? 0.2943 0.3015 0.2554 0.0444 -0.0209 0.0012 245 TYR A C 3453 O O . TYR A 233 ? 0.3326 0.3231 0.2642 0.0185 -0.0072 0.0269 245 TYR A O 3454 C CB . TYR A 233 ? 0.3175 0.3064 0.2652 0.0292 -0.0104 -0.0108 245 TYR A CB 3455 C CG . TYR A 233 ? 0.3320 0.3149 0.3009 0.0367 -0.0130 -0.0105 245 TYR A CG 3456 C CD1 . TYR A 233 ? 0.3184 0.3353 0.3271 0.0686 -0.0165 -0.0155 245 TYR A CD1 3457 C CD2 . TYR A 233 ? 0.3445 0.3275 0.3192 0.0317 -0.0185 -0.0220 245 TYR A CD2 3458 C CE1 . TYR A 233 ? 0.3124 0.3539 0.3233 0.0659 -0.0202 -0.0029 245 TYR A CE1 3459 C CE2 . TYR A 233 ? 0.3286 0.3409 0.3247 0.0223 -0.0126 -0.0190 245 TYR A CE2 3460 C CZ . TYR A 233 ? 0.3109 0.3538 0.2963 0.0326 -0.0280 -0.0318 245 TYR A CZ 3461 O OH . TYR A 233 ? 0.3268 0.3500 0.3392 0.0444 -0.0239 -0.0128 245 TYR A OH 3471 N N . ILE A 234 ? 0.2779 0.2519 0.2868 0.0669 -0.0242 0.0001 246 ILE A N 3472 C CA . ILE A 234 ? 0.2870 0.2397 0.2694 0.0529 -0.0240 -0.0149 246 ILE A CA 3473 C C . ILE A 234 ? 0.3314 0.2434 0.2503 0.0288 -0.0144 -0.0281 246 ILE A C 3474 O O . ILE A 234 ? 0.3396 0.2703 0.2754 0.0397 -0.0008 -0.0471 246 ILE A O 3475 C CB . ILE A 234 ? 0.3193 0.2690 0.3299 0.0265 -0.0024 -0.0370 246 ILE A CB 3476 C CG1 . ILE A 234 ? 0.3247 0.2966 0.3418 0.0355 0.0053 -0.0332 246 ILE A CG1 3477 C CG2 . ILE A 234 ? 0.3248 0.2429 0.3655 0.0137 0.0072 -0.0519 246 ILE A CG2 3478 C CD1 . ILE A 234 ? 0.3508 0.3369 0.3247 0.0403 -0.0008 -0.0458 246 ILE A CD1 3490 N N . ILE A 235 ? 0.3360 0.2497 0.2303 0.0249 -0.0159 -0.0230 247 ILE A N 3491 C CA . ILE A 235 ? 0.3183 0.2508 0.2338 0.0183 -0.0204 -0.0086 247 ILE A CA 3492 C C . ILE A 235 ? 0.3025 0.2551 0.2389 0.0103 -0.0118 0.0067 247 ILE A C 3493 O O . ILE A 235 ? 0.3018 0.2817 0.2308 0.0230 -0.0125 0.0068 247 ILE A O 3494 C CB . ILE A 235 ? 0.3381 0.2484 0.2540 0.0029 -0.0278 0.0045 247 ILE A CB 3495 C CG1 . ILE A 235 ? 0.3393 0.2108 0.2697 0.0040 0.0023 0.0117 247 ILE A CG1 3496 C CG2 . ILE A 235 ? 0.3687 0.2107 0.2429 0.0094 -0.0096 0.0288 247 ILE A CG2 3497 C CD1 . ILE A 235 ? 0.3248 0.2043 0.2649 -0.0020 -0.0012 -0.0014 247 ILE A CD1 3509 N N . ALA A 236 ? 0.2908 0.2436 0.2430 0.0231 0.0023 -0.0151 248 ALA A N 3510 C CA . ALA A 236 ? 0.2700 0.2347 0.2575 0.0327 -0.0182 -0.0057 248 ALA A CA 3511 C C . ALA A 236 ? 0.2934 0.2361 0.2566 0.0224 -0.0176 -0.0250 248 ALA A C 3512 O O . ALA A 236 ? 0.3310 0.2465 0.2491 0.0292 -0.0264 -0.0116 248 ALA A O 3513 C CB . ALA A 236 ? 0.2640 0.2313 0.3046 0.0383 -0.0209 -0.0026 248 ALA A CB 3519 N N . HIS A 237 ? 0.3269 0.2394 0.2741 0.0290 -0.0314 -0.0114 249 HIS A N 3520 C CA . HIS A 237 ? 0.3148 0.2339 0.2694 0.0221 -0.0404 0.0155 249 HIS A CA 3521 C C . HIS A 237 ? 0.3310 0.2247 0.2618 0.0215 -0.0110 0.0027 249 HIS A C 3522 O O . HIS A 237 ? 0.3343 0.2514 0.2610 0.0222 -0.0049 0.0208 249 HIS A O 3523 C CB . HIS A 237 ? 0.3142 0.2343 0.2694 0.0184 -0.0370 0.0094 249 HIS A CB 3524 C CG . HIS A 237 ? 0.3273 0.2213 0.2570 -0.0037 -0.0237 -0.0015 249 HIS A CG 3525 N ND1 . HIS A 237 ? 0.3458 0.2304 0.2602 -0.0148 -0.0075 -0.0087 249 HIS A ND1 3526 C CD2 . HIS A 237 ? 0.3198 0.2210 0.2612 0.0057 -0.0268 -0.0001 249 HIS A CD2 3527 C CE1 . HIS A 237 ? 0.3489 0.2262 0.2533 -0.0452 -0.0140 -0.0162 249 HIS A CE1 3528 N NE2 . HIS A 237 ? 0.3300 0.2307 0.2599 -0.0123 -0.0601 0.0163 249 HIS A NE2 3536 N N . VAL A 238 ? 0.3595 0.2034 0.2487 0.0209 0.0224 -0.0115 250 VAL A N 3537 C CA . VAL A 238 ? 0.3581 0.1874 0.2652 0.0131 0.0159 -0.0209 250 VAL A CA 3538 C C . VAL A 238 ? 0.3559 0.2054 0.2595 0.0066 0.0130 -0.0204 250 VAL A C 3539 O O . VAL A 238 ? 0.3544 0.2420 0.2529 -0.0216 0.0075 -0.0115 250 VAL A O 3540 C CB . VAL A 238 ? 0.3545 0.2079 0.2708 -0.0017 -0.0014 -0.0245 250 VAL A CB 3541 C CG1 . VAL A 238 ? 0.3636 0.2669 0.2717 0.0062 0.0133 -0.0241 250 VAL A CG1 3542 C CG2 . VAL A 238 ? 0.3954 0.1763 0.2740 -0.0151 -0.0497 -0.0339 250 VAL A CG2 3552 N N . PRO A 239 ? 0.3469 0.2194 0.2698 0.0086 0.0285 -0.0077 251 PRO A N 3553 C CA . PRO A 239 ? 0.3621 0.2371 0.2559 -0.0039 0.0193 -0.0123 251 PRO A CA 3554 C C . PRO A 239 ? 0.3594 0.2713 0.2880 -0.0122 -0.0019 0.0031 251 PRO A C 3555 O O . PRO A 239 ? 0.3504 0.2489 0.3094 -0.0022 -0.0139 0.0159 251 PRO A O 3556 C CB . PRO A 239 ? 0.3667 0.2474 0.2567 0.0159 0.0225 -0.0159 251 PRO A CB 3557 C CG . PRO A 239 ? 0.3489 0.2374 0.2626 0.0029 0.0266 -0.0225 251 PRO A CG 3558 C CD . PRO A 239 ? 0.3591 0.2370 0.2886 -0.0092 0.0285 -0.0200 251 PRO A CD 3566 N N . VAL A 240 ? 0.3694 0.2737 0.2702 -0.0148 -0.0044 -0.0131 252 VAL A N 3567 C CA . VAL A 240 ? 0.3327 0.2727 0.2867 -0.0294 0.0202 -0.0131 252 VAL A CA 3568 C C . VAL A 240 ? 0.3385 0.2598 0.2923 -0.0102 -0.0026 -0.0116 252 VAL A C 3569 O O . VAL A 240 ? 0.3370 0.2451 0.3226 -0.0204 0.0234 -0.0400 252 VAL A O 3570 C CB . VAL A 240 ? 0.3716 0.3045 0.3045 -0.0252 0.0253 -0.0438 252 VAL A CB 3571 C CG1 . VAL A 240 ? 0.4035 0.3371 0.3217 -0.0571 0.0063 -0.0246 252 VAL A CG1 3572 C CG2 . VAL A 240 ? 0.3786 0.3062 0.3196 -0.0299 0.0108 -0.0397 252 VAL A CG2 3582 N N . GLY A 241 ? 0.3444 0.2429 0.2782 -0.0449 0.0081 0.0168 253 GLY A N 3583 C CA . GLY A 241 ? 0.3346 0.2648 0.2760 -0.0519 0.0202 -0.0191 253 GLY A CA 3584 C C . GLY A 241 ? 0.3296 0.2873 0.2792 -0.0449 0.0016 -0.0250 253 GLY A C 3585 O O . GLY A 241 ? 0.3355 0.3247 0.2862 -0.0523 -0.0169 -0.0059 253 GLY A O 3589 N N . TYR A 242 ? 0.3385 0.2858 0.2794 -0.0396 0.0028 -0.0092 254 TYR A N 3590 C CA . TYR A 242 ? 0.3653 0.2931 0.2720 -0.0373 -0.0001 -0.0127 254 TYR A CA 3591 C C . TYR A 242 ? 0.3760 0.2894 0.2721 -0.0341 -0.0069 0.0002 254 TYR A C 3592 O O . TYR A 242 ? 0.3897 0.3288 0.2883 -0.0417 0.0006 0.0065 254 TYR A O 3593 C CB . TYR A 242 ? 0.3835 0.2747 0.2935 -0.0246 -0.0245 -0.0183 254 TYR A CB 3594 C CG . TYR A 242 ? 0.4207 0.2677 0.2697 -0.0269 -0.0243 -0.0170 254 TYR A CG 3595 C CD1 . TYR A 242 ? 0.4492 0.2832 0.2842 -0.0352 -0.0094 -0.0226 254 TYR A CD1 3596 C CD2 . TYR A 242 ? 0.4367 0.2924 0.2960 -0.0224 -0.0435 -0.0273 254 TYR A CD2 3597 C CE1 . TYR A 242 ? 0.4657 0.2963 0.2865 -0.0443 -0.0081 -0.0043 254 TYR A CE1 3598 C CE2 . TYR A 242 ? 0.4648 0.2866 0.3164 -0.0464 -0.0451 -0.0413 254 TYR A CE2 3599 C CZ . TYR A 242 ? 0.4821 0.2896 0.3050 -0.0400 -0.0356 -0.0132 254 TYR A CZ 3600 O OH . TYR A 242 ? 0.5082 0.3009 0.3018 -0.0138 -0.0506 -0.0188 254 TYR A OH 3610 N N . LEU A 243 ? 0.3804 0.2751 0.2761 -0.0627 -0.0253 -0.0075 255 LEU A N 3611 C CA . LEU A 243 ? 0.4099 0.3009 0.2835 -0.0698 -0.0086 -0.0092 255 LEU A CA 3612 C C . LEU A 243 ? 0.4409 0.2918 0.2953 -0.0625 0.0106 0.0024 255 LEU A C 3613 O O . LEU A 243 ? 0.4580 0.2886 0.3071 -0.0720 0.0315 0.0041 255 LEU A O 3614 C CB . LEU A 243 ? 0.4524 0.3364 0.3202 -0.0847 -0.0120 -0.0168 255 LEU A CB 3615 C CG . LEU A 243 ? 0.4660 0.3646 0.3840 -0.0949 -0.0213 -0.0263 255 LEU A CG 3616 C CD1 . LEU A 243 ? 0.4849 0.3994 0.4268 -0.0726 -0.0249 -0.0295 255 LEU A CD1 3617 C CD2 . LEU A 243 ? 0.4722 0.3754 0.3693 -0.0896 -0.0260 -0.0310 255 LEU A CD2 3629 N N . PRO A 244 ? 0.4365 0.2923 0.2843 -0.0636 -0.0041 -0.0217 256 PRO A N 3630 C CA . PRO A 244 ? 0.4470 0.3004 0.2792 -0.0599 0.0095 -0.0025 256 PRO A CA 3631 C C . PRO A 244 ? 0.4539 0.3206 0.2568 -0.0546 0.0315 -0.0083 256 PRO A C 3632 O O . PRO A 244 ? 0.4707 0.3428 0.2733 -0.0590 0.0301 0.0143 256 PRO A O 3633 C CB . PRO A 244 ? 0.4364 0.2986 0.2991 -0.0703 -0.0018 0.0034 256 PRO A CB 3634 C CG . PRO A 244 ? 0.4331 0.3000 0.2832 -0.0737 -0.0177 -0.0171 256 PRO A CG 3635 C CD . PRO A 244 ? 0.4289 0.2878 0.2676 -0.0753 -0.0025 -0.0378 256 PRO A CD 3643 N N . TYR A 245 ? 0.4495 0.3310 0.2700 -0.0321 -0.0003 -0.0089 257 TYR A N 3644 C CA . TYR A 245 ? 0.4530 0.3316 0.2999 -0.0435 -0.0175 0.0041 257 TYR A CA 3645 C C . TYR A 245 ? 0.4637 0.3433 0.3004 -0.0462 -0.0117 0.0337 257 TYR A C 3646 O O . TYR A 245 ? 0.4851 0.3574 0.3062 -0.0444 -0.0268 0.0390 257 TYR A O 3647 C CB . TYR A 245 ? 0.4667 0.3193 0.3418 -0.0422 -0.0366 0.0031 257 TYR A CB 3648 C CG . TYR A 245 ? 0.4608 0.3186 0.3879 -0.0453 -0.0430 -0.0192 257 TYR A CG 3649 C CD1 . TYR A 245 ? 0.4519 0.3259 0.3840 -0.0541 -0.0610 -0.0345 257 TYR A CD1 3650 C CD2 . TYR A 245 ? 0.4709 0.3584 0.4244 -0.0471 -0.0363 -0.0071 257 TYR A CD2 3651 C CE1 . TYR A 245 ? 0.4591 0.3228 0.4110 -0.0511 -0.0318 -0.0423 257 TYR A CE1 3652 C CE2 . TYR A 245 ? 0.4678 0.3668 0.4593 -0.0431 -0.0351 -0.0168 257 TYR A CE2 3653 C CZ . TYR A 245 ? 0.4590 0.3478 0.4526 -0.0448 -0.0202 -0.0311 257 TYR A CZ 3654 O OH . TYR A 245 ? 0.4699 0.3655 0.5232 -0.0186 -0.0056 -0.0232 257 TYR A OH 3664 N N . ALA A 246 ? 0.4663 0.3608 0.3373 -0.0585 -0.0145 0.0273 258 ALA A N 3665 C CA . ALA A 246 ? 0.4731 0.3587 0.3670 -0.0717 -0.0100 0.0210 258 ALA A CA 3666 C C . ALA A 246 ? 0.4868 0.3487 0.3475 -0.0638 -0.0213 0.0120 258 ALA A C 3667 O O . ALA A 246 ? 0.4817 0.3367 0.3442 -0.0953 -0.0271 0.0244 258 ALA A O 3668 C CB . ALA A 246 ? 0.4764 0.3831 0.3798 -0.0846 -0.0222 0.0047 258 ALA A CB 3674 N N . THR A 247 ? 0.4936 0.3446 0.3529 -0.0342 -0.0290 0.0173 259 THR A N 3675 C CA . THR A 247 ? 0.5038 0.3447 0.3445 -0.0298 -0.0171 0.0527 259 THR A CA 3676 C C . THR A 247 ? 0.5081 0.3213 0.3340 -0.0118 -0.0319 0.0500 259 THR A C 3677 O O . THR A 247 ? 0.5257 0.3076 0.3646 0.0134 -0.0114 0.0351 259 THR A O 3678 C CB . THR A 247 ? 0.5414 0.3896 0.3628 -0.0212 0.0012 0.0608 259 THR A CB 3679 O OG1 . THR A 247 ? 0.5818 0.4086 0.3481 0.0015 -0.0098 0.0847 259 THR A OG1 3680 C CG2 . THR A 247 ? 0.5420 0.4049 0.3750 -0.0329 0.0059 0.0719 259 THR A CG2 3688 N N . ASP A 248 ? 0.5083 0.3306 0.3022 -0.0266 -0.0344 0.0443 260 ASP A N 3689 C CA . ASP A 248 ? 0.5193 0.3442 0.3477 -0.0047 -0.0279 0.0312 260 ASP A CA 3690 C C . ASP A 248 ? 0.4898 0.3446 0.3532 0.0240 -0.0158 0.0212 260 ASP A C 3691 O O . ASP A 248 ? 0.4818 0.3645 0.3968 0.0581 0.0079 0.0193 260 ASP A O 3692 C CB . ASP A 248 ? 0.5737 0.3703 0.3779 0.0084 -0.0460 0.0127 260 ASP A CB 3693 C CG . ASP A 248 ? 0.6208 0.3993 0.4162 0.0273 -0.0625 0.0058 260 ASP A CG 3694 O OD1 . ASP A 248 ? 0.6306 0.4182 0.3977 0.0264 -0.0757 -0.0127 260 ASP A OD1 3695 O OD2 . ASP A 248 ? 0.6452 0.4051 0.4417 0.0394 -0.0708 0.0000 260 ASP A OD2 3700 N N . THR A 249 ? 0.4804 0.3359 0.3357 -0.0019 -0.0359 0.0351 261 THR A N 3701 C CA . THR A 249 ? 0.4888 0.3538 0.3303 -0.0005 -0.0254 0.0470 261 THR A CA 3702 C C . THR A 249 ? 0.4843 0.3562 0.3286 0.0086 -0.0250 0.0566 261 THR A C 3703 O O . THR A 249 ? 0.4705 0.3834 0.3361 0.0099 -0.0252 0.0591 261 THR A O 3704 C CB . THR A 249 ? 0.5141 0.3764 0.3554 -0.0024 -0.0440 0.0668 261 THR A CB 3705 O OG1 . THR A 249 ? 0.5251 0.3793 0.3571 0.0146 -0.0451 0.0683 261 THR A OG1 3706 C CG2 . THR A 249 ? 0.5294 0.3880 0.4139 -0.0009 -0.0554 0.0390 261 THR A CG2 3714 N N . PRO A 250 ? 0.4741 0.3489 0.3254 0.0215 -0.0227 0.0556 262 PRO A N 3715 C CA . PRO A 250 ? 0.4449 0.3184 0.3194 0.0158 -0.0169 0.0454 262 PRO A CA 3716 C C . PRO A 250 ? 0.3989 0.3111 0.3238 0.0083 -0.0062 0.0590 262 PRO A C 3717 O O . PRO A 250 ? 0.4120 0.2980 0.3452 0.0147 -0.0302 0.0591 262 PRO A O 3718 C CB . PRO A 250 ? 0.4592 0.3299 0.3458 0.0321 -0.0195 0.0276 262 PRO A CB 3719 C CG . PRO A 250 ? 0.4790 0.3449 0.3343 0.0286 -0.0341 0.0351 262 PRO A CG 3720 C CD . PRO A 250 ? 0.4911 0.3593 0.3252 0.0107 -0.0342 0.0491 262 PRO A CD 3728 N N . ALA A 251 ? 0.3800 0.3240 0.3112 0.0111 0.0089 0.0511 263 ALA A N 3729 C CA . ALA A 251 ? 0.3918 0.3087 0.3038 0.0291 -0.0118 0.0167 263 ALA A CA 3730 C C . ALA A 251 ? 0.3882 0.3008 0.2983 0.0431 -0.0127 -0.0061 263 ALA A C 3731 O O . ALA A 251 ? 0.4191 0.3028 0.3182 0.0278 0.0081 -0.0344 263 ALA A O 3732 C CB . ALA A 251 ? 0.4066 0.3380 0.3418 0.0393 -0.0155 0.0142 263 ALA A CB 3738 N N . ILE A 252 ? 0.3788 0.2990 0.2892 0.0353 0.0035 -0.0136 264 ILE A N 3739 C CA . ILE A 252 ? 0.3821 0.2700 0.2913 0.0143 0.0175 -0.0057 264 ILE A CA 3740 C C . ILE A 252 ? 0.3808 0.2627 0.2981 -0.0063 0.0219 0.0160 264 ILE A C 3741 O O . ILE A 252 ? 0.3978 0.2893 0.3194 -0.0287 0.0259 0.0104 264 ILE A O 3742 C CB . ILE A 252 ? 0.4067 0.2398 0.2737 0.0197 0.0054 -0.0002 264 ILE A CB 3743 C CG1 . ILE A 252 ? 0.4571 0.2287 0.3136 0.0106 0.0113 0.0269 264 ILE A CG1 3744 C CG2 . ILE A 252 ? 0.4112 0.2823 0.3188 0.0290 0.0201 0.0156 264 ILE A CG2 3745 C CD1 . ILE A 252 ? 0.4731 0.2206 0.3312 -0.0240 0.0168 0.0106 264 ILE A CD1 3757 N N . ARG A 253 ? 0.3730 0.2574 0.3099 -0.0002 -0.0182 0.0121 265 ARG A N 3758 C CA . ARG A 253 ? 0.3895 0.2640 0.3231 0.0294 -0.0327 0.0202 265 ARG A CA 3759 C C . ARG A 253 ? 0.4257 0.2632 0.3239 0.0323 -0.0260 0.0035 265 ARG A C 3760 O O . ARG A 253 ? 0.4640 0.2939 0.3135 0.0320 -0.0248 0.0068 265 ARG A O 3761 C CB . ARG A 253 ? 0.3818 0.2756 0.3416 0.0482 -0.0461 -0.0014 265 ARG A CB 3762 C CG . ARG A 253 ? 0.4094 0.3171 0.3725 0.0200 -0.0321 0.0146 265 ARG A CG 3763 C CD . ARG A 253 ? 0.4385 0.3819 0.4003 -0.0036 -0.0181 0.0133 265 ARG A CD 3764 N NE . ARG A 253 ? 0.4669 0.4421 0.4241 -0.0214 -0.0052 -0.0360 265 ARG A NE 3765 C CZ . ARG A 253 ? 0.4724 0.4892 0.3971 -0.0097 -0.0068 -0.0442 265 ARG A CZ 3766 N NH1 . ARG A 253 ? 0.4869 0.5144 0.4062 0.0240 -0.0083 -0.0776 265 ARG A NH1 3767 N NH2 . ARG A 253 ? 0.4623 0.4699 0.3662 -0.0405 -0.0270 -0.0704 265 ARG A NH2 3781 N N . GLN A 254 ? 0.4294 0.2817 0.3449 0.0005 -0.0299 0.0136 266 GLN A N 3782 C CA . GLN A 254 ? 0.4577 0.2852 0.3583 -0.0459 -0.0317 -0.0027 266 GLN A CA 3783 C C . GLN A 254 ? 0.4503 0.2642 0.3743 -0.0273 -0.0215 -0.0128 266 GLN A C 3784 O O . GLN A 254 ? 0.4550 0.2519 0.3622 -0.0073 -0.0306 -0.0161 266 GLN A O 3785 C CB . GLN A 254 ? 0.5060 0.3192 0.3986 -0.0719 -0.0259 0.0106 266 GLN A CB 3786 C CG . GLN A 254 ? 0.5683 0.3271 0.4412 -0.0970 -0.0232 0.0131 266 GLN A CG 3787 C CD . GLN A 254 ? 0.6090 0.3589 0.4677 -0.1014 -0.0021 0.0273 266 GLN A CD 3788 O OE1 . GLN A 254 ? 0.6101 0.3581 0.4956 -0.1056 0.0251 0.0416 266 GLN A OE1 3789 N NE2 . GLN A 254 ? 0.6589 0.3892 0.4789 -0.0783 -0.0015 0.0051 266 GLN A NE2 3798 N N . TYR A 255 ? 0.4506 0.2663 0.3848 -0.0073 -0.0177 -0.0286 267 TYR A N 3799 C CA . TYR A 255 ? 0.4578 0.2784 0.3806 -0.0137 -0.0103 -0.0184 267 TYR A CA 3800 C C . TYR A 255 ? 0.4095 0.2782 0.3217 -0.0100 -0.0288 -0.0182 267 TYR A C 3801 O O . TYR A 255 ? 0.4168 0.3016 0.3214 -0.0367 -0.0112 -0.0200 267 TYR A O 3802 C CB . TYR A 255 ? 0.4996 0.3069 0.4031 -0.0149 0.0307 -0.0688 267 TYR A CB 3803 C CG . TYR A 255 ? 0.5381 0.3374 0.4515 -0.0186 0.0439 -0.0780 267 TYR A CG 3804 C CD1 . TYR A 255 ? 0.5454 0.3477 0.4761 -0.0141 0.0471 -0.0692 267 TYR A CD1 3805 C CD2 . TYR A 255 ? 0.5600 0.3379 0.4735 -0.0149 0.0717 -0.0776 267 TYR A CD2 3806 C CE1 . TYR A 255 ? 0.5596 0.3588 0.4869 -0.0087 0.0546 -0.0594 267 TYR A CE1 3807 C CE2 . TYR A 255 ? 0.5707 0.3654 0.4858 -0.0250 0.0786 -0.0683 267 TYR A CE2 3808 C CZ . TYR A 255 ? 0.5790 0.3759 0.4891 -0.0109 0.0723 -0.0725 267 TYR A CZ 3809 O OH . TYR A 255 ? 0.6053 0.4046 0.5068 -0.0090 0.0858 -0.0915 267 TYR A OH 3819 N N . TYR A 256 ? 0.3835 0.2872 0.3241 -0.0136 -0.0240 -0.0217 268 TYR A N 3820 C CA . TYR A 256 ? 0.3665 0.2629 0.3148 -0.0009 0.0007 -0.0301 268 TYR A CA 3821 C C . TYR A 256 ? 0.3641 0.2625 0.3028 -0.0176 -0.0015 -0.0320 268 TYR A C 3822 O O . TYR A 256 ? 0.3683 0.2832 0.3000 -0.0180 0.0119 -0.0133 268 TYR A O 3823 C CB . TYR A 256 ? 0.3399 0.2476 0.3192 0.0318 -0.0007 -0.0078 268 TYR A CB 3824 C CG . TYR A 256 ? 0.3508 0.2883 0.3124 0.0268 0.0189 -0.0145 268 TYR A CG 3825 C CD1 . TYR A 256 ? 0.3445 0.3046 0.2948 0.0308 -0.0026 -0.0120 268 TYR A CD1 3826 C CD2 . TYR A 256 ? 0.3565 0.2894 0.3275 0.0459 0.0080 -0.0026 268 TYR A CD2 3827 C CE1 . TYR A 256 ? 0.3535 0.3271 0.2928 0.0221 -0.0103 -0.0038 268 TYR A CE1 3828 C CE2 . TYR A 256 ? 0.3676 0.3330 0.3429 0.0277 0.0090 -0.0034 268 TYR A CE2 3829 C CZ . TYR A 256 ? 0.3671 0.3523 0.3240 0.0280 0.0036 -0.0076 268 TYR A CZ 3830 O OH . TYR A 256 ? 0.3691 0.3878 0.3182 0.0223 0.0058 0.0015 268 TYR A OH 3840 N N . ASN A 257 ? 0.3805 0.2541 0.3203 -0.0162 -0.0069 -0.0087 269 ASN A N 3841 C CA . ASN A 257 ? 0.3783 0.2668 0.2796 -0.0350 -0.0202 -0.0088 269 ASN A CA 3842 C C . ASN A 257 ? 0.3979 0.2753 0.2685 -0.0163 -0.0203 -0.0135 269 ASN A C 3843 O O . ASN A 257 ? 0.4017 0.2979 0.2679 0.0056 0.0096 0.0186 269 ASN A O 3844 C CB . ASN A 257 ? 0.3897 0.2504 0.2785 -0.0610 -0.0350 -0.0174 269 ASN A CB 3845 C CG . ASN A 257 ? 0.3971 0.2622 0.2862 -0.0637 -0.0257 0.0048 269 ASN A CG 3846 O OD1 . ASN A 257 ? 0.3955 0.2653 0.2802 -0.0404 -0.0179 -0.0285 269 ASN A OD1 3847 N ND2 . ASN A 257 ? 0.4100 0.2674 0.3144 -0.0543 -0.0231 0.0087 269 ASN A ND2 3854 N N . GLU A 258 ? 0.4259 0.3009 0.2802 -0.0166 -0.0169 -0.0216 270 GLU A N 3855 C CA . GLU A 258 ? 0.4218 0.3196 0.2994 -0.0243 0.0004 -0.0229 270 GLU A CA 3856 C C . GLU A 258 ? 0.4161 0.3187 0.3151 -0.0165 -0.0169 -0.0322 270 GLU A C 3857 O O . GLU A 258 ? 0.4074 0.3313 0.3325 -0.0240 -0.0037 -0.0429 270 GLU A O 3858 C CB . GLU A 258 ? 0.4468 0.3484 0.3239 -0.0448 0.0093 -0.0290 270 GLU A CB 3859 C CG . GLU A 258 ? 0.4708 0.3724 0.3472 -0.0471 -0.0022 -0.0211 270 GLU A CG 3860 C CD . GLU A 258 ? 0.4904 0.3865 0.3679 -0.0699 -0.0003 -0.0360 270 GLU A CD 3861 O OE1 . GLU A 258 ? 0.5082 0.3712 0.3764 -0.0884 -0.0028 -0.0412 270 GLU A OE1 3862 O OE2 . GLU A 258 ? 0.4800 0.4057 0.3508 -0.0819 -0.0082 -0.0220 270 GLU A OE2 3869 N N . LYS A 259 ? 0.4151 0.3367 0.3224 -0.0265 -0.0208 -0.0211 271 LYS A N 3870 C CA . LYS A 259 ? 0.4225 0.3439 0.3404 -0.0485 -0.0235 -0.0430 271 LYS A CA 3871 C C . LYS A 259 ? 0.4273 0.3281 0.3027 -0.0527 -0.0247 -0.0321 271 LYS A C 3872 O O . LYS A 259 ? 0.4307 0.3369 0.2934 -0.0649 -0.0323 -0.0399 271 LYS A O 3873 C CB . LYS A 259 ? 0.4296 0.3907 0.4193 -0.0181 -0.0210 -0.0698 271 LYS A CB 3874 C CG . LYS A 259 ? 0.4418 0.4415 0.5190 -0.0152 -0.0093 -0.1073 271 LYS A CG 3875 C CD . LYS A 259 ? 0.4381 0.4632 0.5562 0.0090 0.0204 -0.1293 271 LYS A CD 3876 C CE . LYS A 259 ? 0.4445 0.4762 0.5788 0.0391 0.0182 -0.1207 271 LYS A CE 3877 N NZ . LYS A 259 ? 0.4157 0.4515 0.5556 0.0627 0.0129 -0.1400 271 LYS A NZ 3891 N N . LEU A 260 ? 0.4315 0.3101 0.3120 -0.0490 -0.0157 -0.0388 272 LEU A N 3892 C CA . LEU A 260 ? 0.4207 0.2920 0.2763 -0.0331 -0.0249 -0.0730 272 LEU A CA 3893 C C . LEU A 260 ? 0.3871 0.3028 0.2974 -0.0121 -0.0303 -0.0546 272 LEU A C 3894 O O . LEU A 260 ? 0.3740 0.3024 0.3097 -0.0201 -0.0145 -0.0501 272 LEU A O 3895 C CB . LEU A 260 ? 0.4603 0.2839 0.2691 -0.0354 -0.0213 -0.0602 272 LEU A CB 3896 C CG . LEU A 260 ? 0.4754 0.2788 0.2911 -0.0449 0.0135 -0.0388 272 LEU A CG 3897 C CD1 . LEU A 260 ? 0.4759 0.2727 0.3010 -0.0570 0.0474 -0.0226 272 LEU A CD1 3898 C CD2 . LEU A 260 ? 0.4654 0.2872 0.3178 -0.0566 0.0037 -0.0262 272 LEU A CD2 3910 N N . LEU A 261 ? 0.3556 0.2996 0.2879 -0.0200 -0.0198 -0.0407 273 LEU A N 3911 C CA . LEU A 261 ? 0.3649 0.3141 0.2596 -0.0303 0.0014 -0.0193 273 LEU A CA 3912 C C . LEU A 261 ? 0.3679 0.3214 0.2575 -0.0293 0.0188 -0.0194 273 LEU A C 3913 O O . LEU A 261 ? 0.3678 0.3628 0.2883 -0.0362 0.0081 -0.0159 273 LEU A O 3914 C CB . LEU A 261 ? 0.3811 0.3115 0.2700 -0.0189 -0.0147 0.0097 273 LEU A CB 3915 C CG . LEU A 261 ? 0.4043 0.2928 0.2505 -0.0067 0.0182 -0.0092 273 LEU A CG 3916 C CD1 . LEU A 261 ? 0.4038 0.2976 0.2745 -0.0145 -0.0102 0.0063 273 LEU A CD1 3917 C CD2 . LEU A 261 ? 0.4171 0.2990 0.2738 -0.0074 0.0075 0.0136 273 LEU A CD2 3929 N N . ASP A 262 ? 0.3853 0.3197 0.2679 -0.0248 0.0175 -0.0225 274 ASP A N 3930 C CA . ASP A 262 ? 0.4071 0.3499 0.3053 -0.0414 -0.0047 -0.0208 274 ASP A CA 3931 C C . ASP A 262 ? 0.3959 0.3397 0.2866 -0.0379 -0.0089 -0.0406 274 ASP A C 3932 O O . ASP A 262 ? 0.4162 0.3546 0.3080 -0.0420 -0.0027 -0.0188 274 ASP A O 3933 C CB . ASP A 262 ? 0.4574 0.3669 0.3368 -0.0356 -0.0261 -0.0479 274 ASP A CB 3934 C CG . ASP A 262 ? 0.5310 0.4547 0.4413 -0.0221 -0.0319 -0.0459 274 ASP A CG 3935 O OD1 . ASP A 262 ? 0.5506 0.4913 0.4931 -0.0519 -0.0315 -0.0315 274 ASP A OD1 3936 O OD2 . ASP A 262 ? 0.5773 0.4761 0.4947 0.0011 -0.0548 -0.0373 274 ASP A OD2 3941 N N . ILE A 263 ? 0.3797 0.3149 0.2760 -0.0416 -0.0050 -0.0478 275 ILE A N 3942 C CA . ILE A 263 ? 0.3644 0.3107 0.3030 -0.0500 -0.0111 -0.0301 275 ILE A CA 3943 C C . ILE A 263 ? 0.3663 0.3065 0.2847 -0.0593 -0.0189 -0.0241 275 ILE A C 3944 O O . ILE A 263 ? 0.3536 0.3517 0.2906 -0.0445 -0.0362 -0.0126 275 ILE A O 3945 C CB . ILE A 263 ? 0.3717 0.3136 0.3080 -0.0468 -0.0112 -0.0229 275 ILE A CB 3946 C CG1 . ILE A 263 ? 0.3852 0.3345 0.3287 -0.0356 -0.0211 -0.0221 275 ILE A CG1 3947 C CG2 . ILE A 263 ? 0.3829 0.3175 0.2959 -0.0489 -0.0161 -0.0160 275 ILE A CG2 3948 C CD1 . ILE A 263 ? 0.3640 0.3309 0.3026 -0.0150 -0.0368 -0.0498 275 ILE A CD1 3960 N N . PHE A 264 ? 0.3728 0.3074 0.3084 -0.0487 -0.0345 -0.0433 276 PHE A N 3961 C CA . PHE A 264 ? 0.3431 0.3118 0.2949 -0.0417 -0.0317 -0.0411 276 PHE A CA 3962 C C . PHE A 264 ? 0.3510 0.3456 0.3169 -0.0596 -0.0427 -0.0466 276 PHE A C 3963 O O . PHE A 264 ? 0.3620 0.3499 0.3279 -0.0489 -0.0469 -0.0147 276 PHE A O 3964 C CB . PHE A 264 ? 0.3398 0.2820 0.2893 -0.0471 -0.0205 -0.0827 276 PHE A CB 3965 C CG . PHE A 264 ? 0.3457 0.2948 0.2931 -0.0423 -0.0139 -0.0507 276 PHE A CG 3966 C CD1 . PHE A 264 ? 0.3680 0.2936 0.3007 -0.0297 -0.0094 -0.0311 276 PHE A CD1 3967 C CD2 . PHE A 264 ? 0.3533 0.3009 0.2860 -0.0235 0.0018 -0.0182 276 PHE A CD2 3968 C CE1 . PHE A 264 ? 0.3479 0.2872 0.2904 -0.0213 -0.0003 -0.0228 276 PHE A CE1 3969 C CE2 . PHE A 264 ? 0.3363 0.2878 0.3024 -0.0215 0.0132 -0.0470 276 PHE A CE2 3970 C CZ . PHE A 264 ? 0.3313 0.2804 0.3192 -0.0283 0.0015 -0.0338 276 PHE A CZ 3980 N N . ARG A 265 ? 0.3467 0.3568 0.3180 -0.0651 -0.0203 -0.0444 277 ARG A N 3981 C CA . ARG A 265 ? 0.3775 0.3801 0.3105 -0.0850 0.0052 -0.0283 277 ARG A CA 3982 C C . ARG A 265 ? 0.3926 0.4167 0.3205 -0.0743 -0.0211 -0.0291 277 ARG A C 3983 O O . ARG A 265 ? 0.3864 0.4188 0.3333 -0.0681 -0.0474 -0.0423 277 ARG A O 3984 C CB . ARG A 265 ? 0.3930 0.3759 0.3483 -0.0755 0.0253 -0.0176 277 ARG A CB 3985 C CG . ARG A 265 ? 0.4117 0.3765 0.3991 -0.0950 0.0760 0.0143 277 ARG A CG 3986 C CD . ARG A 265 ? 0.4828 0.4022 0.4771 -0.0847 0.0567 0.0572 277 ARG A CD 3987 N NE . ARG A 265 ? 0.5527 0.4393 0.5637 -0.0767 0.0580 0.0562 277 ARG A NE 3988 C CZ . ARG A 265 ? 0.5707 0.4301 0.5682 -0.0513 0.0507 0.0511 277 ARG A CZ 3989 N NH1 . ARG A 265 ? 0.5803 0.4404 0.5354 -0.0893 0.0703 0.0914 277 ARG A NH1 3990 N NH2 . ARG A 265 ? 0.5793 0.4401 0.5832 -0.0428 0.0092 -0.0045 277 ARG A NH2 4004 N N . ARG A 266 ? 0.4164 0.4413 0.2958 -0.1057 -0.0036 -0.0336 278 ARG A N 4005 C CA . ARG A 266 ? 0.4440 0.4894 0.3266 -0.0905 -0.0283 -0.0491 278 ARG A CA 4006 C C . ARG A 266 ? 0.4406 0.4857 0.3208 -0.0918 -0.0404 -0.0346 278 ARG A C 4007 O O . ARG A 266 ? 0.4275 0.4995 0.3476 -0.1185 -0.0540 -0.0468 278 ARG A O 4008 C CB . ARG A 266 ? 0.4737 0.5425 0.3507 -0.0486 -0.0393 -0.0916 278 ARG A CB 4009 C CG . ARG A 266 ? 0.5241 0.5935 0.4625 -0.0282 -0.0394 -0.1211 278 ARG A CG 4010 C CD . ARG A 266 ? 0.5589 0.6435 0.5428 -0.0107 -0.0331 -0.1309 278 ARG A CD 4011 N NE . ARG A 266 ? 0.6134 0.6819 0.5880 0.0055 -0.0438 -0.1526 278 ARG A NE 4012 C CZ . ARG A 266 ? 0.6510 0.6992 0.5898 0.0156 -0.0230 -0.1847 278 ARG A CZ 4013 N NH1 . ARG A 266 ? 0.6779 0.7058 0.5831 0.0018 -0.0006 -0.2056 278 ARG A NH1 4014 N NH2 . ARG A 266 ? 0.6347 0.6994 0.5858 0.0224 -0.0249 -0.2019 278 ARG A NH2 4028 N N . TYR A 267 ? 0.4470 0.4530 0.2855 -0.0792 -0.0403 -0.0130 279 TYR A N 4029 C CA . TYR A 267 ? 0.4533 0.4555 0.3188 -0.0739 -0.0660 0.0204 279 TYR A CA 4030 C C . TYR A 267 ? 0.4509 0.4481 0.3377 -0.0759 -0.0719 0.0145 279 TYR A C 4031 O O . TYR A 267 ? 0.4399 0.4196 0.3803 -0.0784 -0.0844 0.0344 279 TYR A O 4032 C CB . TYR A 267 ? 0.4468 0.4468 0.3347 -0.0853 -0.0762 0.0422 279 TYR A CB 4033 C CG . TYR A 267 ? 0.4395 0.4572 0.3524 -0.1103 -0.0732 0.0298 279 TYR A CG 4034 C CD1 . TYR A 267 ? 0.4432 0.4740 0.3233 -0.1207 -0.0742 0.0112 279 TYR A CD1 4035 C CD2 . TYR A 267 ? 0.4312 0.4552 0.3548 -0.1226 -0.0648 0.0176 279 TYR A CD2 4036 C CE1 . TYR A 267 ? 0.4509 0.4867 0.3209 -0.1382 -0.0806 -0.0065 279 TYR A CE1 4037 C CE2 . TYR A 267 ? 0.4545 0.4653 0.3340 -0.1379 -0.0526 0.0137 279 TYR A CE2 4038 C CZ . TYR A 267 ? 0.4677 0.4842 0.3166 -0.1380 -0.0657 -0.0193 279 TYR A CZ 4039 O OH . TYR A 267 ? 0.5230 0.5269 0.3376 -0.1130 -0.0610 -0.0368 279 TYR A OH 4049 N N . SER A 268 ? 0.4477 0.4585 0.2941 -0.0704 -0.0311 0.0131 280 SER A N 4050 C CA . SER A 268 ? 0.4768 0.4806 0.3615 -0.0414 -0.0508 -0.0225 280 SER A CA 4051 C C . SER A 268 ? 0.5102 0.5109 0.4010 -0.0235 -0.0848 -0.0308 280 SER A C 4052 O O . SER A 268 ? 0.5311 0.4907 0.4302 0.0157 -0.1171 -0.0473 280 SER A O 4053 C CB . SER A 268 ? 0.4786 0.4874 0.3780 -0.0470 -0.0218 -0.0180 280 SER A CB 4054 O OG . SER A 268 ? 0.4809 0.5111 0.3990 -0.0404 -0.0163 0.0151 280 SER A OG 4060 N N . SER A 269 ? 0.5034 0.5296 0.3875 -0.0339 -0.0910 -0.0420 281 SER A N 4061 C CA . SER A 269 ? 0.5002 0.5329 0.4065 -0.0302 -0.0747 -0.0319 281 SER A CA 4062 C C . SER A 269 ? 0.4738 0.5112 0.3890 0.0027 -0.0458 -0.0051 281 SER A C 4063 O O . SER A 269 ? 0.4806 0.5243 0.4397 0.0464 0.0104 0.0225 281 SER A O 4064 C CB . SER A 269 ? 0.5230 0.5589 0.4339 -0.0466 -0.1151 -0.0559 281 SER A CB 4065 O OG . SER A 269 ? 0.5583 0.5820 0.4623 -0.0510 -0.1082 -0.0474 281 SER A OG 4071 N N . VAL A 270 ? 0.4362 0.4708 0.3349 -0.0233 -0.0484 -0.0293 282 VAL A N 4072 C CA . VAL A 270 ? 0.4274 0.4369 0.2917 -0.0192 -0.0590 -0.0182 282 VAL A CA 4073 C C . VAL A 270 ? 0.3859 0.3874 0.3053 -0.0059 -0.0472 -0.0108 282 VAL A C 4074 O O . VAL A 270 ? 0.3821 0.3619 0.3250 -0.0017 -0.0336 0.0433 282 VAL A O 4075 C CB . VAL A 270 ? 0.4543 0.4512 0.2888 -0.0317 -0.0191 -0.0178 282 VAL A CB 4076 C CG1 . VAL A 270 ? 0.4649 0.4694 0.2914 -0.0262 -0.0066 -0.0095 282 VAL A CG1 4077 C CG2 . VAL A 270 ? 0.4745 0.4637 0.2878 -0.0328 -0.0052 -0.0293 282 VAL A CG2 4087 N N . ILE A 271 ? 0.3565 0.3747 0.2922 -0.0060 -0.0502 -0.0237 283 ILE A N 4088 C CA . ILE A 271 ? 0.3443 0.3432 0.2996 0.0073 -0.0398 -0.0352 283 ILE A CA 4089 C C . ILE A 271 ? 0.3308 0.3478 0.3149 0.0035 -0.0173 -0.0311 283 ILE A C 4090 O O . ILE A 271 ? 0.3275 0.3270 0.3258 0.0069 -0.0219 -0.0251 283 ILE A O 4091 C CB . ILE A 271 ? 0.3440 0.3400 0.2845 -0.0195 -0.0379 -0.0061 283 ILE A CB 4092 C CG1 . ILE A 271 ? 0.3426 0.3300 0.2944 -0.0047 -0.0237 -0.0230 283 ILE A CG1 4093 C CG2 . ILE A 271 ? 0.3407 0.3593 0.2661 -0.0015 -0.0251 -0.0079 283 ILE A CG2 4094 C CD1 . ILE A 271 ? 0.3675 0.3132 0.3381 -0.0201 0.0190 -0.0534 283 ILE A CD1 4106 N N . ALA A 272 ? 0.3252 0.3256 0.3031 0.0392 -0.0249 -0.0487 284 ALA A N 4107 C CA . ALA A 272 ? 0.3247 0.3629 0.2935 0.0489 -0.0360 -0.0366 284 ALA A CA 4108 C C . ALA A 272 ? 0.3217 0.3779 0.3095 0.0430 -0.0266 -0.0254 284 ALA A C 4109 O O . ALA A 272 ? 0.3243 0.4103 0.3304 0.0393 -0.0176 -0.0080 284 ALA A O 4110 C CB . ALA A 272 ? 0.3261 0.3693 0.3179 0.0680 -0.0585 -0.0428 284 ALA A CB 4116 N N . GLY A 273 ? 0.3212 0.3568 0.3141 0.0315 -0.0166 -0.0230 285 GLY A N 4117 C CA . GLY A 273 ? 0.3139 0.3218 0.2948 0.0118 -0.0318 -0.0270 285 GLY A CA 4118 C C . GLY A 273 ? 0.3050 0.3092 0.2923 0.0139 -0.0253 -0.0505 285 GLY A C 4119 O O . GLY A 273 ? 0.2929 0.3228 0.3013 -0.0119 -0.0212 -0.0370 285 GLY A O 4123 N N . GLN A 274 ? 0.3215 0.2851 0.2716 0.0277 -0.0065 -0.0143 286 GLN A N 4124 C CA . GLN A 274 ? 0.2990 0.2718 0.2697 -0.0006 -0.0182 -0.0311 286 GLN A CA 4125 C C . GLN A 274 ? 0.3014 0.2676 0.2553 0.0048 0.0025 -0.0144 286 GLN A C 4126 O O . GLN A 274 ? 0.3061 0.2641 0.2536 -0.0083 0.0029 -0.0283 286 GLN A O 4127 C CB . GLN A 274 ? 0.3220 0.2790 0.2685 0.0123 0.0039 -0.0521 286 GLN A CB 4128 C CG . GLN A 274 ? 0.3256 0.2827 0.2908 -0.0034 0.0206 -0.0448 286 GLN A CG 4129 C CD . GLN A 274 ? 0.3126 0.2800 0.3119 -0.0131 -0.0162 -0.0376 286 GLN A CD 4130 O OE1 . GLN A 274 ? 0.3039 0.2808 0.3059 -0.0160 -0.0125 -0.0534 286 GLN A OE1 4131 N NE2 . GLN A 274 ? 0.3259 0.2733 0.3150 -0.0184 -0.0215 -0.0467 286 GLN A NE2 4140 N N . PHE A 275 ? 0.2862 0.2622 0.2636 -0.0133 -0.0004 -0.0304 287 PHE A N 4141 C CA . PHE A 275 ? 0.3059 0.2503 0.2453 0.0032 0.0081 -0.0205 287 PHE A CA 4142 C C . PHE A 275 ? 0.3160 0.2601 0.2568 0.0189 -0.0017 -0.0128 287 PHE A C 4143 O O . PHE A 275 ? 0.2984 0.3016 0.2715 0.0214 -0.0146 -0.0068 287 PHE A O 4144 C CB . PHE A 275 ? 0.3126 0.2904 0.2462 0.0085 -0.0081 -0.0089 287 PHE A CB 4145 C CG . PHE A 275 ? 0.3127 0.2745 0.2549 0.0218 -0.0168 0.0096 287 PHE A CG 4146 C CD1 . PHE A 275 ? 0.3288 0.3136 0.2614 0.0301 -0.0344 0.0037 287 PHE A CD1 4147 C CD2 . PHE A 275 ? 0.3333 0.2543 0.2748 0.0031 0.0018 0.0037 287 PHE A CD2 4148 C CE1 . PHE A 275 ? 0.3249 0.3164 0.2803 0.0428 -0.0343 -0.0356 287 PHE A CE1 4149 C CE2 . PHE A 275 ? 0.3294 0.2641 0.2847 0.0207 0.0056 -0.0204 287 PHE A CE2 4150 C CZ . PHE A 275 ? 0.3278 0.2927 0.2914 0.0304 -0.0130 -0.0350 287 PHE A CZ 4160 N N . TYR A 276 ? 0.3108 0.2491 0.2594 0.0097 -0.0132 -0.0201 288 TYR A N 4161 C CA . TYR A 276 ? 0.2870 0.2240 0.2560 -0.0037 -0.0075 -0.0190 288 TYR A CA 4162 C C . TYR A 276 ? 0.3002 0.2352 0.2643 0.0021 -0.0024 -0.0001 288 TYR A C 4163 O O . TYR A 276 ? 0.3129 0.2412 0.2875 0.0041 -0.0009 -0.0342 288 TYR A O 4164 C CB . TYR A 276 ? 0.2856 0.2236 0.2585 -0.0109 0.0222 -0.0374 288 TYR A CB 4165 C CG . TYR A 276 ? 0.2717 0.2369 0.2684 -0.0207 0.0128 0.0011 288 TYR A CG 4166 C CD1 . TYR A 276 ? 0.2833 0.2833 0.2999 0.0003 0.0225 -0.0361 288 TYR A CD1 4167 C CD2 . TYR A 276 ? 0.2747 0.2263 0.2766 -0.0223 0.0171 0.0008 288 TYR A CD2 4168 C CE1 . TYR A 276 ? 0.2840 0.2794 0.2911 -0.0070 0.0229 -0.0319 288 TYR A CE1 4169 C CE2 . TYR A 276 ? 0.2830 0.2282 0.2746 -0.0183 0.0088 -0.0151 288 TYR A CE2 4170 C CZ . TYR A 276 ? 0.2934 0.2712 0.2853 -0.0052 0.0103 -0.0195 288 TYR A CZ 4171 O OH . TYR A 276 ? 0.3319 0.2995 0.2888 0.0189 0.0161 -0.0445 288 TYR A OH 4181 N N . GLY A 277 ? 0.2877 0.2490 0.2669 -0.0011 -0.0316 -0.0029 289 GLY A N 4182 C CA . GLY A 277 ? 0.2727 0.2454 0.2664 0.0042 -0.0468 -0.0003 289 GLY A CA 4183 C C . GLY A 277 ? 0.2962 0.2468 0.2719 -0.0029 -0.0139 -0.0162 289 GLY A C 4184 O O . GLY A 277 ? 0.3077 0.2601 0.2814 -0.0160 -0.0309 -0.0193 289 GLY A O 4188 N N . HIS A 278 ? 0.3221 0.2533 0.2612 0.0010 -0.0065 -0.0423 290 HIS A N 4189 C CA . HIS A 278 ? 0.3213 0.2352 0.2468 0.0003 -0.0075 -0.0227 290 HIS A CA 4190 C C . HIS A 278 ? 0.3285 0.2520 0.2386 -0.0075 -0.0269 -0.0212 290 HIS A C 4191 O O . HIS A 278 ? 0.3524 0.2567 0.2472 -0.0015 0.0110 0.0007 290 HIS A O 4192 C CB . HIS A 278 ? 0.3255 0.2429 0.2606 0.0288 0.0130 -0.0237 290 HIS A CB 4193 C CG . HIS A 278 ? 0.3226 0.2538 0.2958 0.0154 -0.0076 -0.0163 290 HIS A CG 4194 N ND1 . HIS A 278 ? 0.3586 0.2453 0.3401 0.0275 -0.0447 -0.0154 290 HIS A ND1 4195 C CD2 . HIS A 278 ? 0.3316 0.2685 0.3421 0.0171 -0.0101 -0.0228 290 HIS A CD2 4196 C CE1 . HIS A 278 ? 0.3683 0.2604 0.3425 0.0266 -0.0280 -0.0085 290 HIS A CE1 4197 N NE2 . HIS A 278 ? 0.3703 0.2904 0.3577 0.0205 -0.0167 -0.0125 290 HIS A NE2 4205 N N . THR A 279 ? 0.3132 0.2465 0.2464 0.0215 -0.0252 -0.0128 291 THR A N 4206 C CA . THR A 279 ? 0.3288 0.2495 0.2717 0.0102 -0.0093 -0.0017 291 THR A CA 4207 C C . THR A 279 ? 0.3386 0.2465 0.2673 0.0046 0.0059 -0.0033 291 THR A C 4208 O O . THR A 279 ? 0.3343 0.2377 0.2574 -0.0131 -0.0242 0.0039 291 THR A O 4209 C CB . THR A 279 ? 0.3306 0.2623 0.2713 0.0281 -0.0132 -0.0267 291 THR A CB 4210 O OG1 . THR A 279 ? 0.3581 0.2521 0.2968 0.0134 -0.0074 -0.0284 291 THR A OG1 4211 C CG2 . THR A 279 ? 0.3327 0.2914 0.2706 0.0087 0.0083 -0.0536 291 THR A CG2 4219 N N . HIS A 280 ? 0.3505 0.2337 0.2657 -0.0006 0.0125 -0.0134 292 HIS A N 4220 C CA . HIS A 280 ? 0.3621 0.2654 0.2695 0.0026 0.0087 -0.0305 292 HIS A CA 4221 C C . HIS A 280 ? 0.3517 0.2463 0.2466 -0.0075 0.0206 -0.0191 292 HIS A C 4222 O O . HIS A 280 ? 0.3561 0.2688 0.2898 -0.0124 0.0166 -0.0467 292 HIS A O 4223 C CB . HIS A 280 ? 0.3853 0.2750 0.2701 -0.0232 -0.0359 -0.0448 292 HIS A CB 4224 C CG . HIS A 280 ? 0.3875 0.2603 0.2352 -0.0364 -0.0459 -0.0385 292 HIS A CG 4225 N ND1 . HIS A 280 ? 0.4096 0.2683 0.2399 -0.0485 -0.0485 -0.0259 292 HIS A ND1 4226 C CD2 . HIS A 280 ? 0.3809 0.2527 0.2717 -0.0179 -0.0372 -0.0332 292 HIS A CD2 4227 C CE1 . HIS A 280 ? 0.4012 0.2869 0.2745 -0.0379 -0.0366 -0.0318 292 HIS A CE1 4228 N NE2 . HIS A 280 ? 0.3783 0.2714 0.2695 -0.0209 -0.0294 -0.0319 292 HIS A NE2 4236 N N . ARG A 281 ? 0.3617 0.2399 0.2787 -0.0063 0.0280 -0.0160 293 ARG A N 4237 C CA . ARG A 281 ? 0.3521 0.2572 0.2633 -0.0082 0.0238 -0.0482 293 ARG A CA 4238 C C . ARG A 281 ? 0.3310 0.2473 0.2788 -0.0271 -0.0001 -0.0559 293 ARG A C 4239 O O . ARG A 281 ? 0.3336 0.2916 0.2856 -0.0242 -0.0122 -0.0424 293 ARG A O 4240 C CB . ARG A 281 ? 0.3633 0.2690 0.2727 -0.0166 0.0166 -0.0170 293 ARG A CB 4241 C CG . ARG A 281 ? 0.3851 0.2605 0.2296 -0.0155 0.0125 0.0028 293 ARG A CG 4242 C CD . ARG A 281 ? 0.4393 0.2887 0.2631 -0.0182 -0.0095 0.0156 293 ARG A CD 4243 N NE . ARG A 281 ? 0.4907 0.2989 0.2880 -0.0162 0.0141 -0.0056 293 ARG A NE 4244 C CZ . ARG A 281 ? 0.5100 0.3042 0.3085 -0.0164 0.0189 -0.0105 293 ARG A CZ 4245 N NH1 . ARG A 281 ? 0.5334 0.2681 0.2944 -0.0044 0.0151 -0.0100 293 ARG A NH1 4246 N NH2 . ARG A 281 ? 0.5227 0.3262 0.3360 -0.0147 0.0285 -0.0332 293 ARG A NH2 4260 N N . ASP A 282 ? 0.3379 0.2505 0.2863 -0.0175 0.0110 -0.0429 294 ASP A N 4261 C CA . ASP A 282 ? 0.3466 0.2707 0.2972 -0.0259 0.0314 -0.0382 294 ASP A CA 4262 C C . ASP A 282 ? 0.3432 0.2835 0.2720 -0.0276 0.0204 -0.0428 294 ASP A C 4263 O O . ASP A 282 ? 0.3357 0.2913 0.2883 -0.0396 0.0249 -0.0341 294 ASP A O 4264 C CB . ASP A 282 ? 0.3457 0.2834 0.3101 -0.0223 0.0311 -0.0582 294 ASP A CB 4265 C CG . ASP A 282 ? 0.3464 0.2972 0.2924 -0.0122 0.0325 -0.0685 294 ASP A CG 4266 O OD1 . ASP A 282 ? 0.3430 0.3007 0.2949 -0.0149 0.0156 -0.0391 294 ASP A OD1 4267 O OD2 . ASP A 282 ? 0.3426 0.3275 0.2919 -0.0015 0.0296 -0.0760 294 ASP A OD2 4272 N N . SER A 283 ? 0.3301 0.2930 0.2455 -0.0602 -0.0281 -0.0569 295 SER A N 4273 C CA . SER A 283 ? 0.3294 0.2752 0.2441 -0.0604 -0.0225 -0.0383 295 SER A CA 4274 C C . SER A 283 ? 0.3327 0.2916 0.2470 -0.0500 0.0130 -0.0174 295 SER A C 4275 O O . SER A 283 ? 0.3292 0.3349 0.2431 -0.0550 0.0011 -0.0165 295 SER A O 4276 C CB . SER A 283 ? 0.3425 0.2865 0.2739 -0.0365 -0.0246 -0.0404 295 SER A CB 4277 O OG . SER A 283 ? 0.3453 0.2871 0.2869 -0.0395 -0.0226 -0.0317 295 SER A OG 4283 N N . LEU A 284 ? 0.3358 0.2918 0.2510 -0.0737 0.0034 -0.0327 296 LEU A N 4284 C CA . LEU A 284 ? 0.3303 0.3071 0.2764 -0.0744 -0.0148 -0.0341 296 LEU A CA 4285 C C . LEU A 284 ? 0.3396 0.2933 0.2719 -0.0792 -0.0040 -0.0113 296 LEU A C 4286 O O . LEU A 284 ? 0.3674 0.2849 0.3084 -0.0350 0.0520 -0.0288 296 LEU A O 4287 C CB . LEU A 284 ? 0.3521 0.3549 0.2964 -0.0507 -0.0186 -0.0450 296 LEU A CB 4288 C CG . LEU A 284 ? 0.3775 0.3511 0.3369 -0.0278 0.0177 -0.0344 296 LEU A CG 4289 C CD1 . LEU A 284 ? 0.3908 0.3744 0.3610 -0.0069 0.0386 -0.0297 296 LEU A CD1 4290 C CD2 . LEU A 284 ? 0.4100 0.3526 0.3142 -0.0245 0.0224 -0.0640 296 LEU A CD2 4302 N N . MET A 285 ? 0.3369 0.2907 0.2523 -0.0716 0.0026 0.0066 297 MET A N 4303 C CA . MET A 285 ? 0.3295 0.2761 0.2690 -0.0683 -0.0014 -0.0263 297 MET A CA 4304 C C . MET A 285 ? 0.3484 0.2958 0.2924 -0.0534 0.0154 -0.0389 297 MET A C 4305 O O . MET A 285 ? 0.3572 0.2911 0.3242 -0.0317 0.0101 -0.0442 297 MET A O 4306 C CB . MET A 285 ? 0.3172 0.2807 0.2724 -0.0567 -0.0097 -0.0168 297 MET A CB 4307 C CG . MET A 285 ? 0.3277 0.2634 0.2778 -0.0337 -0.0243 -0.0276 297 MET A CG 4308 S SD . MET A 285 ? 0.3418 0.2843 0.3318 -0.0315 0.0026 -0.0169 297 MET A SD 4309 C CE . MET A 285 ? 0.3240 0.2439 0.3147 -0.0425 0.0005 -0.0262 297 MET A CE 4319 N N . VAL A 286 ? 0.3534 0.3086 0.2957 -0.0442 0.0365 -0.0504 298 VAL A N 4320 C CA . VAL A 286 ? 0.3699 0.3486 0.3100 -0.0456 0.0256 -0.0482 298 VAL A CA 4321 C C . VAL A 286 ? 0.3686 0.3432 0.3041 -0.0414 -0.0014 -0.0329 298 VAL A C 4322 O O . VAL A 286 ? 0.3731 0.3390 0.2931 -0.0332 -0.0030 -0.0277 298 VAL A O 4323 C CB . VAL A 286 ? 0.3986 0.3712 0.3585 -0.0424 0.0325 -0.0791 298 VAL A CB 4324 C CG1 . VAL A 286 ? 0.4136 0.3747 0.3381 -0.0428 0.0443 -0.0863 298 VAL A CG1 4325 C CG2 . VAL A 286 ? 0.4171 0.3996 0.3888 -0.0461 0.0486 -0.0710 298 VAL A CG2 4335 N N . LEU A 287 ? 0.3698 0.3419 0.2997 -0.0156 0.0157 -0.0306 299 LEU A N 4336 C CA . LEU A 287 ? 0.3717 0.3512 0.3032 -0.0373 0.0132 -0.0146 299 LEU A CA 4337 C C . LEU A 287 ? 0.3640 0.3556 0.2942 -0.0425 -0.0154 -0.0239 299 LEU A C 4338 O O . LEU A 287 ? 0.3522 0.3883 0.3191 -0.0326 -0.0225 -0.0461 299 LEU A O 4339 C CB . LEU A 287 ? 0.3794 0.3530 0.3069 -0.0142 0.0345 -0.0304 299 LEU A CB 4340 C CG . LEU A 287 ? 0.3758 0.3687 0.3169 0.0064 0.0307 -0.0421 299 LEU A CG 4341 C CD1 . LEU A 287 ? 0.3664 0.3714 0.3284 0.0153 0.0326 -0.0302 299 LEU A CD1 4342 C CD2 . LEU A 287 ? 0.3841 0.3849 0.3350 0.0022 0.0210 -0.0895 299 LEU A CD2 4354 N N . SER A 288 ? 0.3918 0.3642 0.3208 -0.0377 0.0176 -0.0268 300 SER A N 4355 C CA . SER A 288 ? 0.4349 0.3729 0.3530 -0.0528 0.0111 -0.0772 300 SER A CA 4356 C C . SER A 288 ? 0.4535 0.3799 0.3902 -0.0582 -0.0220 -0.1076 300 SER A C 4357 O O . SER A 288 ? 0.4332 0.3834 0.4248 -0.0664 -0.0337 -0.1260 300 SER A O 4358 C CB . SER A 288 ? 0.4801 0.4051 0.3627 -0.0321 0.0441 -0.0905 300 SER A CB 4359 O OG . SER A 288 ? 0.4826 0.4391 0.4000 0.0103 0.0839 -0.0832 300 SER A OG 4365 N N . ASP A 289 ? 0.4847 0.3634 0.3942 -0.0666 -0.0269 -0.1147 301 ASP A N 4366 C CA . ASP A 289 ? 0.5243 0.3938 0.4356 -0.0522 -0.0196 -0.1015 301 ASP A CA 4367 C C . ASP A 289 ? 0.5548 0.4288 0.4724 -0.0626 0.0042 -0.0877 301 ASP A C 4368 O O . ASP A 289 ? 0.5485 0.4319 0.4563 -0.0787 -0.0151 -0.0903 301 ASP A O 4369 C CB . ASP A 289 ? 0.5272 0.4162 0.4651 -0.0475 -0.0415 -0.0917 301 ASP A CB 4370 C CG . ASP A 289 ? 0.5441 0.4507 0.4688 -0.0323 -0.0451 -0.0912 301 ASP A CG 4371 O OD1 . ASP A 289 ? 0.5439 0.4151 0.4744 -0.0150 -0.0463 -0.1028 301 ASP A OD1 4372 O OD2 . ASP A 289 ? 0.5476 0.5053 0.4740 -0.0560 -0.0496 -0.0716 301 ASP A OD2 4377 N N . LYS A 290 ? 0.5895 0.4560 0.5180 -0.0692 0.0141 -0.0944 302 LYS A N 4378 C CA . LYS A 290 ? 0.6303 0.4933 0.5534 -0.0479 0.0259 -0.0881 302 LYS A CA 4379 C C . LYS A 290 ? 0.6256 0.4898 0.5312 -0.0391 0.0297 -0.0554 302 LYS A C 4380 O O . LYS A 290 ? 0.6164 0.4767 0.5001 -0.0516 0.0135 -0.0458 302 LYS A O 4381 C CB . LYS A 290 ? 0.6821 0.5233 0.6000 -0.0495 0.0244 -0.1285 302 LYS A CB 4382 C CG . LYS A 290 ? 0.7378 0.5644 0.6468 -0.0425 0.0235 -0.1534 302 LYS A CG 4383 C CD . LYS A 290 ? 0.7761 0.5941 0.6825 -0.0404 0.0143 -0.1815 302 LYS A CD 4384 C CE . LYS A 290 ? 0.7992 0.6060 0.6986 -0.0456 0.0083 -0.2113 302 LYS A CE 4385 N NZ . LYS A 290 ? 0.8132 0.6241 0.7250 -0.0411 0.0092 -0.2099 302 LYS A NZ 4399 N N . ASN A 291 ? 0.6220 0.5011 0.5358 -0.0247 0.0432 -0.0361 303 ASN A N 4400 C CA . ASN A 291 ? 0.6436 0.5191 0.5424 -0.0073 0.0493 -0.0188 303 ASN A CA 4401 C C . ASN A 291 ? 0.6413 0.5246 0.5395 0.0072 0.0693 0.0135 303 ASN A C 4402 O O . ASN A 291 ? 0.6513 0.5225 0.5466 0.0294 0.0931 0.0282 303 ASN A O 4403 C CB . ASN A 291 ? 0.6716 0.5394 0.5809 -0.0035 0.0471 -0.0300 303 ASN A CB 4404 C CG . ASN A 291 ? 0.6884 0.5463 0.5940 0.0070 0.0432 -0.0529 303 ASN A CG 4405 O OD1 . ASN A 291 ? 0.6781 0.5386 0.6128 0.0047 0.0209 -0.0668 303 ASN A OD1 4406 N ND2 . ASN A 291 ? 0.7089 0.5643 0.6056 0.0163 0.0656 -0.0405 303 ASN A ND2 4413 N N . GLY A 292 ? 0.6340 0.5309 0.5304 0.0066 0.0848 -0.0020 304 GLY A N 4414 C CA . GLY A 292 ? 0.6089 0.5304 0.4807 0.0155 0.1107 -0.0287 304 GLY A CA 4415 C C . GLY A 292 ? 0.5917 0.5288 0.4472 0.0069 0.1221 -0.0461 304 GLY A C 4416 O O . GLY A 292 ? 0.6655 0.5857 0.4623 0.0245 0.1269 -0.0170 304 GLY A O 4420 N N . ASN A 293 ? 0.4940 0.4786 0.4132 -0.0427 0.0771 -0.0840 305 ASN A N 4421 C CA . ASN A 293 ? 0.4443 0.4753 0.4275 -0.0567 0.0515 -0.0956 305 ASN A CA 4422 C C . ASN A 293 ? 0.4110 0.4363 0.4296 -0.0554 0.0618 -0.0922 305 ASN A C 4423 O O . ASN A 293 ? 0.4098 0.4344 0.4470 -0.0350 0.0380 -0.0998 305 ASN A O 4424 C CB . ASN A 293 ? 0.4661 0.5246 0.4511 -0.0473 0.0072 -0.0622 305 ASN A CB 4425 C CG . ASN A 293 ? 0.5033 0.5874 0.4947 -0.0584 0.0160 -0.0461 305 ASN A CG 4426 O OD1 . ASN A 293 ? 0.4804 0.6428 0.4945 -0.1107 0.0655 -0.0588 305 ASN A OD1 4427 N ND2 . ASN A 293 ? 0.5393 0.5790 0.5306 -0.0498 -0.0254 -0.0147 305 ASN A ND2 4434 N N . PRO A 294 ? 0.3761 0.4212 0.4234 -0.0402 0.0691 -0.0851 306 PRO A N 4435 C CA . PRO A 294 ? 0.3554 0.3885 0.3962 -0.0486 0.0609 -0.0597 306 PRO A CA 4436 C C . PRO A 294 ? 0.3563 0.3987 0.3891 -0.0143 0.0260 -0.0468 306 PRO A C 4437 O O . PRO A 294 ? 0.3494 0.4432 0.4118 0.0136 0.0289 -0.0206 306 PRO A O 4438 C CB . PRO A 294 ? 0.3689 0.4049 0.4150 -0.0600 0.0579 -0.0405 306 PRO A CB 4439 C CG . PRO A 294 ? 0.3687 0.4143 0.4504 -0.0469 0.0671 -0.0723 306 PRO A CG 4440 C CD . PRO A 294 ? 0.3670 0.4224 0.4507 -0.0218 0.0793 -0.0962 306 PRO A CD 4448 N N . LEU A 295 ? 0.3281 0.3479 0.3598 -0.0245 0.0236 -0.0449 307 LEU A N 4449 C CA . LEU A 295 ? 0.3515 0.3393 0.3370 0.0116 0.0003 -0.0612 307 LEU A CA 4450 C C . LEU A 295 ? 0.3481 0.3388 0.3016 0.0079 -0.0123 -0.0553 307 LEU A C 4451 O O . LEU A 295 ? 0.3661 0.3400 0.3511 0.0100 -0.0439 -0.0632 307 LEU A O 4452 C CB . LEU A 295 ? 0.3917 0.3483 0.3765 -0.0174 -0.0055 -0.1082 307 LEU A CB 4453 C CG . LEU A 295 ? 0.4198 0.3607 0.4247 0.0017 -0.0148 -0.1085 307 LEU A CG 4454 C CD1 . LEU A 295 ? 0.4212 0.3725 0.4359 0.0000 -0.0215 -0.1003 307 LEU A CD1 4455 C CD2 . LEU A 295 ? 0.4666 0.3841 0.4414 0.0065 -0.0095 -0.1064 307 LEU A CD2 4467 N N . ASN A 296 ? 0.3649 0.3548 0.3033 0.0071 0.0121 -0.0360 308 ASN A N 4468 C CA . ASN A 296 ? 0.3626 0.3530 0.3059 0.0070 -0.0054 -0.0316 308 ASN A CA 4469 C C . ASN A 296 ? 0.3572 0.3525 0.3107 -0.0403 -0.0191 -0.0342 308 ASN A C 4470 O O . ASN A 296 ? 0.3937 0.3685 0.2895 -0.0532 -0.0068 -0.0163 308 ASN A O 4471 C CB . ASN A 296 ? 0.3880 0.3599 0.3325 0.0205 -0.0121 -0.0274 308 ASN A CB 4472 C CG . ASN A 296 ? 0.3791 0.3755 0.3483 0.0240 -0.0159 -0.0335 308 ASN A CG 4473 O OD1 . ASN A 296 ? 0.3637 0.3770 0.3862 0.0395 -0.0249 -0.0084 308 ASN A OD1 4474 N ND2 . ASN A 296 ? 0.3698 0.3906 0.3038 0.0035 -0.0568 -0.0252 308 ASN A ND2 4481 N N . SER A 297 ? 0.3216 0.3378 0.3017 -0.0701 -0.0112 -0.0483 309 SER A N 4482 C CA . SER A 297 ? 0.3249 0.3271 0.3037 -0.0531 -0.0045 -0.0520 309 SER A CA 4483 C C . SER A 297 ? 0.3248 0.3208 0.2681 -0.0524 -0.0120 -0.0330 309 SER A C 4484 O O . SER A 297 ? 0.3102 0.3564 0.2809 -0.0178 -0.0203 -0.0051 309 SER A O 4485 C CB . SER A 297 ? 0.3362 0.3230 0.3427 -0.0387 -0.0217 -0.0568 309 SER A CB 4486 O OG . SER A 297 ? 0.3264 0.3185 0.3404 -0.0276 -0.0317 -0.0482 309 SER A OG 4492 N N . VAL A 298 ? 0.3176 0.2895 0.2997 -0.0442 -0.0150 -0.0495 310 VAL A N 4493 C CA . VAL A 298 ? 0.3070 0.2737 0.2607 -0.0192 0.0012 -0.0330 310 VAL A CA 4494 C C . VAL A 298 ? 0.2999 0.2676 0.2743 -0.0064 0.0047 -0.0407 310 VAL A C 4495 O O . VAL A 298 ? 0.3046 0.2871 0.2776 -0.0245 0.0156 -0.0355 310 VAL A O 4496 C CB . VAL A 298 ? 0.2949 0.2777 0.2815 -0.0153 0.0171 -0.0370 310 VAL A CB 4497 C CG1 . VAL A 298 ? 0.3179 0.2942 0.3148 -0.0225 0.0041 -0.0472 310 VAL A CG1 4498 C CG2 . VAL A 298 ? 0.2920 0.2892 0.2715 0.0081 0.0129 -0.0121 310 VAL A CG2 4508 N N . PHE A 299 ? 0.2812 0.2603 0.2822 -0.0166 -0.0112 -0.0650 311 PHE A N 4509 C CA . PHE A 299 ? 0.2861 0.2683 0.2863 -0.0145 0.0113 -0.0437 311 PHE A CA 4510 C C . PHE A 299 ? 0.2868 0.2634 0.2846 -0.0350 0.0034 -0.0134 311 PHE A C 4511 O O . PHE A 299 ? 0.3037 0.2776 0.2863 -0.0388 -0.0094 -0.0088 311 PHE A O 4512 C CB . PHE A 299 ? 0.2741 0.2796 0.3157 -0.0101 0.0162 -0.0431 311 PHE A CB 4513 C CG . PHE A 299 ? 0.2748 0.2982 0.3177 0.0201 -0.0036 -0.0594 311 PHE A CG 4514 C CD1 . PHE A 299 ? 0.2786 0.3045 0.3170 0.0085 -0.0168 -0.0431 311 PHE A CD1 4515 C CD2 . PHE A 299 ? 0.2643 0.3086 0.2823 0.0016 0.0002 -0.0531 311 PHE A CD2 4516 C CE1 . PHE A 299 ? 0.2743 0.3130 0.3423 0.0099 -0.0186 -0.0602 311 PHE A CE1 4517 C CE2 . PHE A 299 ? 0.2819 0.3068 0.3097 0.0244 -0.0188 -0.0400 311 PHE A CE2 4518 C CZ . PHE A 299 ? 0.2686 0.3062 0.3342 0.0148 -0.0285 -0.0442 311 PHE A CZ 4528 N N . VAL A 300 ? 0.2946 0.2581 0.2976 -0.0432 -0.0048 -0.0274 312 VAL A N 4529 C CA . VAL A 300 ? 0.3195 0.2725 0.2712 -0.0237 -0.0101 -0.0367 312 VAL A CA 4530 C C . VAL A 300 ? 0.3319 0.2520 0.2689 -0.0155 -0.0001 -0.0119 312 VAL A C 4531 O O . VAL A 300 ? 0.3575 0.2657 0.2852 -0.0286 -0.0080 -0.0403 312 VAL A O 4532 C CB . VAL A 300 ? 0.3352 0.2707 0.2565 -0.0072 0.0127 -0.0041 312 VAL A CB 4533 C CG1 . VAL A 300 ? 0.3710 0.2751 0.2732 0.0351 -0.0287 0.0175 312 VAL A CG1 4534 C CG2 . VAL A 300 ? 0.3178 0.2820 0.2925 -0.0054 0.0093 -0.0069 312 VAL A CG2 4544 N N . ALA A 301 ? 0.2987 0.2496 0.2514 -0.0221 -0.0230 0.0033 313 ALA A N 4545 C CA . ALA A 301 ? 0.3166 0.2306 0.2484 -0.0093 -0.0243 -0.0090 313 ALA A CA 4546 C C . ALA A 301 ? 0.3409 0.2290 0.2651 -0.0001 0.0120 -0.0178 313 ALA A C 4547 O O . ALA A 301 ? 0.3694 0.2177 0.2992 0.0200 0.0141 -0.0234 313 ALA A O 4548 C CB . ALA A 301 ? 0.3332 0.2506 0.2559 0.0216 -0.0122 -0.0287 313 ALA A CB 4554 N N . PRO A 302 ? 0.3459 0.2345 0.2512 -0.0169 0.0038 -0.0396 314 PRO A N 4555 C CA . PRO A 302 ? 0.3317 0.2136 0.2860 -0.0358 -0.0093 -0.0369 314 PRO A CA 4556 C C . PRO A 302 ? 0.3360 0.2469 0.2679 -0.0179 -0.0039 -0.0258 314 PRO A C 4557 O O . PRO A 302 ? 0.3410 0.2686 0.2595 0.0022 -0.0121 -0.0173 314 PRO A O 4558 C CB . PRO A 302 ? 0.3433 0.2193 0.3087 -0.0395 0.0041 -0.0411 314 PRO A CB 4559 C CG . PRO A 302 ? 0.3647 0.2613 0.3136 -0.0172 0.0091 -0.0603 314 PRO A CG 4560 C CD . PRO A 302 ? 0.3573 0.2451 0.2692 0.0024 0.0029 -0.0452 314 PRO A CD 4568 N N . ALA A 303 ? 0.3329 0.2313 0.2814 -0.0005 -0.0074 -0.0344 315 ALA A N 4569 C CA . ALA A 303 ? 0.3302 0.2427 0.2627 -0.0025 -0.0214 -0.0162 315 ALA A CA 4570 C C . ALA A 303 ? 0.3256 0.2475 0.2818 0.0024 0.0049 -0.0246 315 ALA A C 4571 O O . ALA A 303 ? 0.3627 0.2491 0.2927 -0.0053 0.0206 -0.0476 315 ALA A O 4572 C CB . ALA A 303 ? 0.3338 0.2322 0.2563 0.0308 -0.0315 -0.0368 315 ALA A CB 4578 N N . VAL A 304 ? 0.3190 0.2408 0.2920 -0.0127 -0.0317 -0.0128 316 VAL A N 4579 C CA . VAL A 304 ? 0.3016 0.2450 0.2733 -0.0159 -0.0262 -0.0191 316 VAL A CA 4580 C C . VAL A 304 ? 0.3453 0.2442 0.2941 -0.0178 -0.0143 -0.0418 316 VAL A C 4581 O O . VAL A 304 ? 0.3539 0.2618 0.2793 -0.0149 -0.0193 -0.0463 316 VAL A O 4582 C CB . VAL A 304 ? 0.2973 0.2976 0.3094 -0.0093 -0.0203 -0.0246 316 VAL A CB 4583 C CG1 . VAL A 304 ? 0.2995 0.3036 0.3193 -0.0204 -0.0282 -0.0126 316 VAL A CG1 4584 C CG2 . VAL A 304 ? 0.2804 0.3085 0.3280 0.0021 0.0039 -0.0009 316 VAL A CG2 4594 N N . THR A 305 ? 0.3552 0.2317 0.3010 -0.0062 -0.0169 -0.0346 317 THR A N 4595 C CA . THR A 305 ? 0.3565 0.2295 0.2810 -0.0087 -0.0223 -0.0346 317 THR A CA 4596 C C . THR A 305 ? 0.3640 0.2433 0.2810 -0.0102 -0.0194 -0.0475 317 THR A C 4597 O O . THR A 305 ? 0.3759 0.2478 0.2707 0.0126 -0.0201 -0.0338 317 THR A O 4598 C CB . THR A 305 ? 0.3432 0.2307 0.2904 -0.0158 -0.0372 -0.0282 317 THR A CB 4599 O OG1 . THR A 305 ? 0.3598 0.2732 0.3139 0.0100 -0.0457 -0.0471 317 THR A OG1 4600 C CG2 . THR A 305 ? 0.3464 0.2456 0.3327 -0.0086 -0.0243 -0.0316 317 THR A CG2 4608 N N . PRO A 306 ? 0.3862 0.2427 0.2658 -0.0171 -0.0459 -0.0447 318 PRO A N 4609 C CA . PRO A 306 ? 0.3821 0.2581 0.2593 0.0108 -0.0411 -0.0291 318 PRO A CA 4610 C C . PRO A 306 ? 0.3928 0.2333 0.2707 -0.0007 -0.0163 0.0141 318 PRO A C 4611 O O . PRO A 306 ? 0.3787 0.2723 0.2733 -0.0041 -0.0012 -0.0010 318 PRO A O 4612 C CB . PRO A 306 ? 0.3946 0.2602 0.2949 -0.0089 -0.0535 -0.0482 318 PRO A CB 4613 C CG . PRO A 306 ? 0.4082 0.2899 0.2651 -0.0216 -0.0473 -0.0359 318 PRO A CG 4614 C CD . PRO A 306 ? 0.3927 0.2793 0.2470 -0.0013 -0.0600 -0.0357 318 PRO A CD 4622 N N . VAL A 307 ? 0.4030 0.2446 0.2767 -0.0109 -0.0406 0.0157 319 VAL A N 4623 C CA . VAL A 307 ? 0.4002 0.2639 0.2889 -0.0064 -0.0361 0.0117 319 VAL A CA 4624 C C . VAL A 307 ? 0.3971 0.2960 0.2802 0.0052 -0.0432 -0.0272 319 VAL A C 4625 O O . VAL A 307 ? 0.3964 0.3129 0.2977 -0.0013 -0.0400 -0.0304 319 VAL A O 4626 C CB . VAL A 307 ? 0.4111 0.2616 0.3245 -0.0194 -0.0259 0.0069 319 VAL A CB 4627 C CG1 . VAL A 307 ? 0.3972 0.2475 0.3191 -0.0294 -0.0149 0.0029 319 VAL A CG1 4628 C CG2 . VAL A 307 ? 0.4250 0.2708 0.3796 -0.0029 -0.0054 0.0142 319 VAL A CG2 4638 N N . LYS A 308 ? 0.4280 0.3205 0.3233 0.0263 -0.0478 -0.0333 320 LYS A N 4639 C CA . LYS A 308 ? 0.4263 0.3157 0.3423 0.0438 -0.0523 -0.0322 320 LYS A CA 4640 C C . LYS A 308 ? 0.4298 0.3182 0.3559 0.0288 -0.0465 0.0018 320 LYS A C 4641 O O . LYS A 308 ? 0.4180 0.3153 0.3606 0.0180 -0.0475 0.0114 320 LYS A O 4642 C CB . LYS A 308 ? 0.4509 0.3409 0.3464 0.0637 -0.0340 -0.0280 320 LYS A CB 4643 C CG . LYS A 308 ? 0.4388 0.3613 0.3524 0.0661 -0.0450 -0.0049 320 LYS A CG 4644 C CD . LYS A 308 ? 0.4405 0.3761 0.3745 0.0683 -0.0418 0.0326 320 LYS A CD 4645 C CE . LYS A 308 ? 0.4524 0.3893 0.3993 0.0636 -0.0365 0.0369 320 LYS A CE 4646 N NZ . LYS A 308 ? 0.4723 0.3893 0.3601 0.0349 -0.0268 0.0587 320 LYS A NZ 4660 N N . GLY A 309 ? 0.4240 0.3212 0.3607 0.0271 -0.0454 0.0024 321 GLY A N 4661 C CA . GLY A 309 ? 0.4397 0.3150 0.3668 0.0386 -0.0448 0.0083 321 GLY A CA 4662 C C . GLY A 309 ? 0.4695 0.3320 0.3638 0.0513 -0.0288 0.0347 321 GLY A C 4663 O O . GLY A 309 ? 0.4801 0.3211 0.3752 0.0417 -0.0276 0.0361 321 GLY A O 4667 N N . VAL A 310 ? 0.5049 0.3778 0.3871 0.0831 -0.0154 0.0234 322 VAL A N 4668 C CA . VAL A 310 ? 0.5450 0.4405 0.4253 0.0782 -0.0218 0.0476 322 VAL A CA 4669 C C . VAL A 310 ? 0.5634 0.4629 0.4531 0.0915 -0.0060 0.0698 322 VAL A C 4670 O O . VAL A 310 ? 0.5760 0.4778 0.4478 0.0965 0.0011 0.0391 322 VAL A O 4671 C CB . VAL A 310 ? 0.5631 0.4893 0.4134 0.0409 -0.0584 0.0423 322 VAL A CB 4672 C CG1 . VAL A 310 ? 0.5678 0.5177 0.4458 0.0558 -0.0710 0.0506 322 VAL A CG1 4673 C CG2 . VAL A 310 ? 0.5800 0.5009 0.4237 0.0399 -0.0803 0.0402 322 VAL A CG2 4683 N N . LEU A 311 ? 0.5758 0.4477 0.4970 0.0982 -0.0073 0.1076 323 LEU A N 4684 C CA . LEU A 311 ? 0.6015 0.4824 0.5496 0.0870 -0.0028 0.1013 323 LEU A CA 4685 C C . LEU A 311 ? 0.6058 0.4766 0.5184 0.0450 0.0076 0.1173 323 LEU A C 4686 O O . LEU A 311 ? 0.6083 0.4992 0.5047 0.0423 0.0190 0.1362 323 LEU A O 4687 C CB . LEU A 311 ? 0.6278 0.5213 0.6102 0.0915 -0.0053 0.0886 323 LEU A CB 4688 C CG . LEU A 311 ? 0.6362 0.5736 0.6418 0.0895 0.0002 0.0607 323 LEU A CG 4689 C CD1 . LEU A 311 ? 0.6244 0.5603 0.6318 0.0920 -0.0004 0.0488 323 LEU A CD1 4690 C CD2 . LEU A 311 ? 0.6409 0.6011 0.6563 0.0867 0.0074 0.0679 323 LEU A CD2 4702 N N . GLN A 312 ? 0.6054 0.4595 0.4965 0.0049 0.0086 0.1097 324 GLN A N 4703 C CA . GLN A 312 ? 0.6054 0.4557 0.4938 -0.0206 0.0157 0.0801 324 GLN A CA 4704 C C . GLN A 312 ? 0.5751 0.4427 0.4602 -0.0101 0.0133 0.0780 324 GLN A C 4705 O O . GLN A 312 ? 0.5604 0.4418 0.4739 0.0115 0.0187 0.0690 324 GLN A O 4706 C CB . GLN A 312 ? 0.6352 0.4763 0.4939 -0.0427 0.0477 0.0671 324 GLN A CB 4707 C CG . GLN A 312 ? 0.6684 0.5158 0.5448 -0.0668 0.0499 0.0763 324 GLN A CG 4708 C CD . GLN A 312 ? 0.6638 0.5531 0.5594 -0.0680 0.0498 0.0894 324 GLN A CD 4709 O OE1 . GLN A 312 ? 0.6621 0.5559 0.6136 -0.0505 0.0248 0.0454 324 GLN A OE1 4710 N NE2 . GLN A 312 ? 0.6591 0.5797 0.5216 -0.1049 0.0673 0.1155 324 GLN A NE2 4719 N N . LYS A 313 ? 0.5738 0.4366 0.4513 -0.0187 -0.0038 0.0829 325 LYS A N 4720 C CA . LYS A 313 ? 0.5700 0.4392 0.4581 -0.0202 -0.0115 0.0939 325 LYS A CA 4721 C C . LYS A 313 ? 0.5413 0.4281 0.4075 0.0048 -0.0310 0.0174 325 LYS A C 4722 O O . LYS A 313 ? 0.5507 0.4583 0.4058 0.0551 -0.0771 -0.0177 325 LYS A O 4723 C CB . LYS A 313 ? 0.6133 0.4641 0.5435 -0.0467 -0.0015 0.1442 325 LYS A CB 4724 C CG . LYS A 313 ? 0.6493 0.4952 0.5995 -0.0709 -0.0039 0.1825 325 LYS A CG 4725 C CD . LYS A 313 ? 0.6836 0.5311 0.6648 -0.0890 -0.0023 0.1597 325 LYS A CD 4726 C CE . LYS A 313 ? 0.7096 0.5576 0.7006 -0.0899 -0.0072 0.1326 325 LYS A CE 4727 N NZ . LYS A 313 ? 0.7291 0.5806 0.7359 -0.0802 -0.0057 0.1191 325 LYS A NZ 4741 N N . GLU A 314 ? 0.5078 0.4000 0.3607 -0.0143 -0.0073 0.0265 326 GLU A N 4742 C CA . GLU A 314 ? 0.4845 0.3650 0.3265 -0.0251 0.0261 0.0261 326 GLU A CA 4743 C C . GLU A 314 ? 0.4550 0.3451 0.3170 -0.0251 0.0276 0.0131 326 GLU A C 4744 O O . GLU A 314 ? 0.4534 0.3409 0.3202 -0.0091 0.0238 0.0382 326 GLU A O 4745 C CB . GLU A 314 ? 0.5043 0.3782 0.3519 -0.0355 0.0426 0.0409 326 GLU A CB 4746 C CG . GLU A 314 ? 0.5539 0.4282 0.3845 -0.0449 0.0453 0.0282 326 GLU A CG 4747 C CD . GLU A 314 ? 0.5838 0.4681 0.4252 -0.0465 0.0501 0.0256 326 GLU A CD 4748 O OE1 . GLU A 314 ? 0.5767 0.4817 0.4087 -0.0289 0.0428 0.0132 326 GLU A OE1 4749 O OE2 . GLU A 314 ? 0.6131 0.4963 0.4700 -0.0762 0.0611 0.0175 326 GLU A OE2 4756 N N . THR A 315 ? 0.4466 0.3207 0.3110 -0.0163 0.0219 -0.0158 327 THR A N 4757 C CA . THR A 315 ? 0.4372 0.3097 0.3026 -0.0149 0.0106 0.0107 327 THR A CA 4758 C C . THR A 315 ? 0.4142 0.3024 0.2953 -0.0139 -0.0052 -0.0031 327 THR A C 4759 O O . THR A 315 ? 0.4298 0.3148 0.3013 -0.0211 -0.0065 -0.0135 327 THR A O 4760 C CB . THR A 315 ? 0.4399 0.3118 0.2844 0.0031 0.0013 -0.0005 327 THR A CB 4761 O OG1 . THR A 315 ? 0.4468 0.3375 0.3241 -0.0024 -0.0004 0.0101 327 THR A OG1 4762 C CG2 . THR A 315 ? 0.4499 0.3161 0.2996 -0.0101 -0.0254 0.0029 327 THR A CG2 4770 N N . ASN A 316 ? 0.3855 0.2629 0.2737 -0.0120 -0.0224 -0.0026 328 ASN A N 4771 C CA . ASN A 316 ? 0.3593 0.2659 0.2826 -0.0277 -0.0247 -0.0131 328 ASN A CA 4772 C C . ASN A 316 ? 0.3895 0.3013 0.2968 -0.0233 -0.0174 -0.0216 328 ASN A C 4773 O O . ASN A 316 ? 0.4293 0.3199 0.3258 -0.0276 -0.0154 -0.0146 328 ASN A O 4774 C CB . ASN A 316 ? 0.3470 0.2663 0.2963 -0.0211 -0.0102 -0.0574 328 ASN A CB 4775 C CG . ASN A 316 ? 0.3528 0.2481 0.2755 -0.0258 0.0010 -0.0421 328 ASN A CG 4776 O OD1 . ASN A 316 ? 0.3689 0.2623 0.2924 -0.0068 0.0131 -0.0225 328 ASN A OD1 4777 N ND2 . ASN A 316 ? 0.3371 0.2474 0.2758 -0.0435 0.0095 -0.0172 328 ASN A ND2 4784 N N . ASN A 317 ? 0.4001 0.3052 0.2878 -0.0354 0.0049 -0.0319 329 ASN A N 4785 C CA . ASN A 317 ? 0.3757 0.2973 0.2589 -0.0239 -0.0080 -0.0467 329 ASN A CA 4786 C C . ASN A 317 ? 0.3465 0.2863 0.2641 -0.0260 -0.0186 -0.0341 329 ASN A C 4787 O O . ASN A 317 ? 0.3235 0.2950 0.2667 -0.0223 0.0069 -0.0361 329 ASN A O 4788 C CB . ASN A 317 ? 0.3699 0.2994 0.2558 -0.0294 -0.0355 -0.0510 329 ASN A CB 4789 C CG . ASN A 317 ? 0.3927 0.3157 0.2724 -0.0193 -0.0135 -0.0471 329 ASN A CG 4790 O OD1 . ASN A 317 ? 0.4046 0.3199 0.2675 -0.0201 -0.0073 -0.0395 329 ASN A OD1 4791 N ND2 . ASN A 317 ? 0.3929 0.3082 0.3094 0.0009 -0.0198 -0.0811 329 ASN A ND2 4798 N N . PRO A 318 ? 0.3665 0.2538 0.2825 -0.0274 -0.0327 -0.0442 330 PRO A N 4799 C CA . PRO A 318 ? 0.3640 0.2524 0.2548 -0.0163 -0.0231 -0.0327 330 PRO A CA 4800 C C . PRO A 318 ? 0.3853 0.2682 0.2715 -0.0149 0.0146 -0.0351 330 PRO A C 4801 O O . PRO A 318 ? 0.4085 0.2525 0.2808 -0.0080 -0.0120 -0.0368 330 PRO A O 4802 C CB . PRO A 318 ? 0.3624 0.2216 0.2783 -0.0118 -0.0440 -0.0183 330 PRO A CB 4803 C CG . PRO A 318 ? 0.3932 0.2336 0.2678 -0.0246 -0.0240 -0.0185 330 PRO A CG 4804 C CD . PRO A 318 ? 0.3689 0.2459 0.2671 -0.0457 -0.0318 -0.0320 330 PRO A CD 4812 N N . GLY A 319 ? 0.3758 0.2985 0.2582 -0.0039 0.0061 -0.0429 331 GLY A N 4813 C CA . GLY A 319 ? 0.3572 0.2920 0.2764 0.0016 0.0189 -0.0613 331 GLY A CA 4814 C C . GLY A 319 ? 0.3490 0.2729 0.2848 0.0032 -0.0124 -0.0440 331 GLY A C 4815 O O . GLY A 319 ? 0.3300 0.2931 0.2859 0.0133 -0.0158 -0.0182 331 GLY A O 4819 N N . VAL A 320 ? 0.3635 0.2609 0.2984 0.0058 -0.0236 -0.0393 332 VAL A N 4820 C CA . VAL A 320 ? 0.3776 0.2517 0.2928 0.0201 -0.0235 -0.0126 332 VAL A CA 4821 C C . VAL A 320 ? 0.3732 0.2706 0.2821 0.0394 -0.0241 -0.0247 332 VAL A C 4822 O O . VAL A 320 ? 0.3806 0.2936 0.2944 0.0475 -0.0266 -0.0654 332 VAL A O 4823 C CB . VAL A 320 ? 0.4021 0.2848 0.3107 0.0207 -0.0038 -0.0117 332 VAL A CB 4824 C CG1 . VAL A 320 ? 0.3966 0.2439 0.2790 0.0317 -0.0455 -0.0182 332 VAL A CG1 4825 C CG2 . VAL A 320 ? 0.4103 0.3040 0.3118 -0.0029 0.0265 -0.0418 332 VAL A CG2 4835 N N . ARG A 321 ? 0.3447 0.2687 0.2671 0.0130 -0.0271 -0.0264 333 ARG A N 4836 C CA . ARG A 321 ? 0.3273 0.2834 0.2928 0.0300 -0.0235 -0.0157 333 ARG A CA 4837 C C . ARG A 321 ? 0.3311 0.2859 0.2860 0.0219 -0.0081 -0.0259 333 ARG A C 4838 O O . ARG A 321 ? 0.3459 0.2694 0.2893 0.0036 -0.0310 -0.0005 333 ARG A O 4839 C CB . ARG A 321 ? 0.3463 0.2815 0.2759 0.0062 -0.0015 -0.0114 333 ARG A CB 4840 C CG . ARG A 321 ? 0.3600 0.2745 0.2757 0.0166 0.0292 -0.0093 333 ARG A CG 4841 C CD . ARG A 321 ? 0.3684 0.2803 0.2704 0.0055 0.0146 -0.0458 333 ARG A CD 4842 N NE . ARG A 321 ? 0.3534 0.2679 0.2786 -0.0052 0.0164 -0.0358 333 ARG A NE 4843 C CZ . ARG A 321 ? 0.3788 0.2790 0.2674 0.0256 0.0010 -0.0377 333 ARG A CZ 4844 N NH1 . ARG A 321 ? 0.3840 0.2724 0.2673 0.0123 -0.0046 -0.0522 333 ARG A NH1 4845 N NH2 . ARG A 321 ? 0.3884 0.2907 0.2520 0.0171 -0.0086 -0.0366 333 ARG A NH2 4859 N N . LEU A 322 ? 0.3478 0.3252 0.3139 0.0352 -0.0097 -0.0211 334 LEU A N 4860 C CA A LEU A 322 ? 0.3533 0.3329 0.3244 0.0459 -0.0198 -0.0253 334 LEU A CA 4861 C CA B LEU A 322 ? 0.3574 0.3286 0.3206 0.0410 -0.0181 -0.0409 334 LEU A CA 4862 C C . LEU A 322 ? 0.3564 0.3353 0.2951 0.0394 -0.0157 -0.0303 334 LEU A C 4863 O O . LEU A 322 ? 0.3797 0.3839 0.3041 -0.0219 -0.0478 -0.0117 334 LEU A O 4864 C CB A LEU A 322 ? 0.3704 0.3394 0.3631 0.0676 -0.0318 -0.0196 334 LEU A CB 4865 C CB B LEU A 322 ? 0.3816 0.3260 0.3506 0.0502 -0.0284 -0.0734 334 LEU A CB 4866 C CG A LEU A 322 ? 0.3912 0.3479 0.3925 0.0809 -0.0365 0.0092 334 LEU A CG 4867 C CG B LEU A 322 ? 0.4103 0.3249 0.3718 0.0465 -0.0336 -0.0910 334 LEU A CG 4868 C CD1 A LEU A 322 ? 0.3879 0.3260 0.4005 0.0806 -0.0593 0.0410 334 LEU A CD1 4869 C CD1 B LEU A 322 ? 0.4276 0.3208 0.3922 0.0329 -0.0713 -0.0711 334 LEU A CD1 4870 C CD2 A LEU A 322 ? 0.3940 0.3581 0.4202 0.0788 -0.0272 0.0354 334 LEU A CD2 4871 C CD2 B LEU A 322 ? 0.4034 0.3153 0.3892 0.0336 -0.0163 -0.0979 334 LEU A CD2 4892 N N . PHE A 323 ? 0.3419 0.2936 0.3006 0.0570 -0.0145 -0.0280 335 PHE A N 4893 C CA . PHE A 323 ? 0.3460 0.2787 0.3161 0.0480 -0.0071 -0.0214 335 PHE A CA 4894 C C . PHE A 323 ? 0.3551 0.2870 0.3399 0.0468 0.0085 -0.0253 335 PHE A C 4895 O O . PHE A 323 ? 0.3671 0.2816 0.3786 0.0548 -0.0093 -0.0112 335 PHE A O 4896 C CB . PHE A 323 ? 0.3480 0.2893 0.2962 0.0528 -0.0254 0.0044 335 PHE A CB 4897 C CG . PHE A 323 ? 0.3430 0.2822 0.2954 0.0407 -0.0292 -0.0104 335 PHE A CG 4898 C CD1 . PHE A 323 ? 0.3282 0.2874 0.3040 -0.0003 -0.0292 -0.0207 335 PHE A CD1 4899 C CD2 . PHE A 323 ? 0.3267 0.2562 0.2972 0.0219 -0.0340 -0.0412 335 PHE A CD2 4900 C CE1 . PHE A 323 ? 0.3385 0.2670 0.3011 -0.0003 -0.0054 -0.0302 335 PHE A CE1 4901 C CE2 . PHE A 323 ? 0.3468 0.2765 0.2877 -0.0134 -0.0008 -0.0062 335 PHE A CE2 4902 C CZ . PHE A 323 ? 0.3352 0.2687 0.2944 -0.0167 -0.0131 -0.0128 335 PHE A CZ 4912 N N . GLN A 324 ? 0.3600 0.3044 0.3467 0.0394 -0.0020 -0.0123 336 GLN A N 4913 C CA . GLN A 324 ? 0.3795 0.3168 0.3448 0.0612 -0.0129 -0.0224 336 GLN A CA 4914 C C . GLN A 324 ? 0.3756 0.3296 0.3277 0.0685 -0.0138 -0.0379 336 GLN A C 4915 O O . GLN A 324 ? 0.3714 0.3515 0.3326 0.0348 -0.0352 -0.0314 336 GLN A O 4916 C CB . GLN A 324 ? 0.4035 0.3222 0.3977 0.0490 -0.0098 -0.0290 336 GLN A CB 4917 C CG . GLN A 324 ? 0.4458 0.3553 0.4573 0.0545 0.0209 -0.0439 336 GLN A CG 4918 C CD . GLN A 324 ? 0.5125 0.4103 0.5473 0.0593 0.0283 -0.0521 336 GLN A CD 4919 O OE1 . GLN A 324 ? 0.5230 0.4462 0.5794 0.0744 0.0268 -0.0742 336 GLN A OE1 4920 N NE2 . GLN A 324 ? 0.5565 0.4427 0.6042 0.0619 0.0430 -0.0379 336 GLN A NE2 4929 N N . TYR A 325 ? 0.3728 0.3372 0.3292 0.0844 -0.0362 -0.0577 337 TYR A N 4930 C CA . TYR A 325 ? 0.3613 0.3317 0.3189 0.0919 -0.0445 -0.0838 337 TYR A CA 4931 C C . TYR A 325 ? 0.3723 0.3562 0.3302 0.0742 -0.0587 -0.0490 337 TYR A C 4932 O O . TYR A 325 ? 0.3718 0.3527 0.3475 0.0527 -0.0408 -0.0446 337 TYR A O 4933 C CB . TYR A 325 ? 0.3687 0.3363 0.3122 0.0680 -0.0263 -0.0755 337 TYR A CB 4934 C CG . TYR A 325 ? 0.3879 0.3410 0.3102 0.0526 -0.0321 -0.0520 337 TYR A CG 4935 C CD1 . TYR A 325 ? 0.3913 0.3277 0.2833 0.0445 -0.0222 -0.0233 337 TYR A CD1 4936 C CD2 . TYR A 325 ? 0.3872 0.3354 0.3274 0.0487 -0.0101 -0.0324 337 TYR A CD2 4937 C CE1 . TYR A 325 ? 0.4014 0.3256 0.3002 0.0500 0.0010 -0.0364 337 TYR A CE1 4938 C CE2 . TYR A 325 ? 0.3947 0.3131 0.3430 0.0500 0.0069 -0.0374 337 TYR A CE2 4939 C CZ . TYR A 325 ? 0.4022 0.3100 0.3159 0.0408 0.0018 -0.0410 337 TYR A CZ 4940 O OH . TYR A 325 ? 0.4524 0.3491 0.3403 0.0321 -0.0023 -0.0159 337 TYR A OH 4950 N N . LYS A 326 ? 0.3779 0.3794 0.3346 0.0689 -0.0506 -0.0389 338 LYS A N 4951 C CA . LYS A 326 ? 0.3797 0.4207 0.3538 0.0864 -0.0596 -0.0291 338 LYS A CA 4952 C C . LYS A 326 ? 0.4045 0.4540 0.3636 0.0788 -0.0499 -0.0178 338 LYS A C 4953 O O . LYS A 326 ? 0.4040 0.4686 0.3451 0.0685 -0.0318 -0.0178 338 LYS A O 4954 C CB . LYS A 326 ? 0.4210 0.4683 0.4298 0.0705 -0.0594 -0.0310 338 LYS A CB 4955 C CG . LYS A 326 ? 0.4542 0.5121 0.5024 0.0218 -0.0547 -0.0714 338 LYS A CG 4956 C CD . LYS A 326 ? 0.4729 0.5542 0.5557 -0.0072 -0.0547 -0.0924 338 LYS A CD 4957 C CE . LYS A 326 ? 0.4699 0.5895 0.5908 -0.0212 -0.0539 -0.0921 338 LYS A CE 4958 N NZ . LYS A 326 ? 0.4779 0.6258 0.6253 -0.0171 -0.0524 -0.0663 338 LYS A NZ 4972 N N . PRO A 327 ? 0.4393 0.4673 0.3629 0.0753 -0.0589 0.0026 339 PRO A N 4973 C CA . PRO A 327 ? 0.4903 0.4937 0.4089 0.0705 -0.0920 -0.0095 339 PRO A CA 4974 C C . PRO A 327 ? 0.5144 0.5254 0.3955 0.0708 -0.0887 -0.0082 339 PRO A C 4975 O O . PRO A 327 ? 0.5242 0.5395 0.3846 0.0519 -0.0644 -0.0305 339 PRO A O 4976 C CB . PRO A 327 ? 0.5163 0.4930 0.4288 0.0542 -0.0862 0.0001 339 PRO A CB 4977 C CG . PRO A 327 ? 0.5144 0.4800 0.4324 0.0532 -0.0777 0.0107 339 PRO A CG 4978 C CD . PRO A 327 ? 0.4852 0.4732 0.4147 0.0477 -0.0673 0.0100 339 PRO A CD 4986 N N . GLY A 328 ? 0.5354 0.5335 0.4431 0.0963 -0.1078 0.0168 340 GLY A N 4987 C CA . GLY A 328 ? 0.5511 0.5490 0.4627 0.0955 -0.0976 0.0121 340 GLY A CA 4988 C C . GLY A 328 ? 0.5615 0.5571 0.4515 0.0923 -0.1000 -0.0034 340 GLY A C 4989 O O . GLY A 328 ? 0.5968 0.5771 0.4347 0.0674 -0.0918 -0.0485 340 GLY A O 4993 N N . ASP A 329 ? 0.5324 0.5476 0.4367 0.1061 -0.0854 0.0100 341 ASP A N 4994 C CA . ASP A 329 ? 0.4819 0.5259 0.4302 0.0724 -0.0795 -0.0053 341 ASP A CA 4995 C C . ASP A 329 ? 0.4308 0.4818 0.3966 0.0617 -0.0340 -0.0300 341 ASP A C 4996 O O . ASP A 329 ? 0.4249 0.4702 0.3849 0.0424 -0.0393 -0.0589 341 ASP A O 4997 C CB . ASP A 329 ? 0.5100 0.5519 0.4811 0.0610 -0.1251 -0.0268 341 ASP A CB 4998 C CG . ASP A 329 ? 0.5132 0.5620 0.4919 0.0365 -0.1526 -0.0626 341 ASP A CG 4999 O OD1 . ASP A 329 ? 0.4865 0.5357 0.4819 0.0367 -0.1452 -0.0629 341 ASP A OD1 5000 O OD2 . ASP A 329 ? 0.5383 0.6073 0.4967 0.0324 -0.1906 -0.1006 341 ASP A OD2 5005 N N . TYR A 330 ? 0.3994 0.4386 0.3722 0.0738 -0.0017 -0.0445 342 TYR A N 5006 C CA . TYR A 330 ? 0.3864 0.4208 0.3427 0.0819 -0.0295 -0.0484 342 TYR A CA 5007 C C . TYR A 330 ? 0.3808 0.3934 0.3332 0.0928 -0.0533 -0.0471 342 TYR A C 5008 O O . TYR A 330 ? 0.3796 0.3987 0.3248 0.0957 -0.0748 -0.0627 342 TYR A O 5009 C CB . TYR A 330 ? 0.3851 0.4044 0.3295 0.0815 -0.0357 -0.0591 342 TYR A CB 5010 C CG . TYR A 330 ? 0.3752 0.3934 0.3266 0.0918 -0.0557 -0.0257 342 TYR A CG 5011 C CD1 . TYR A 330 ? 0.3765 0.3914 0.3549 0.0997 -0.0380 -0.0022 342 TYR A CD1 5012 C CD2 . TYR A 330 ? 0.3950 0.4056 0.3391 0.0827 -0.0331 -0.0256 342 TYR A CD2 5013 C CE1 . TYR A 330 ? 0.3875 0.3745 0.3691 0.0886 -0.0051 -0.0033 342 TYR A CE1 5014 C CE2 . TYR A 330 ? 0.4094 0.4050 0.3323 0.0920 -0.0343 -0.0034 342 TYR A CE2 5015 C CZ . TYR A 330 ? 0.4104 0.3872 0.3551 0.0803 -0.0241 0.0075 342 TYR A CZ 5016 O OH . TYR A 330 ? 0.4242 0.3962 0.3672 0.0859 -0.0281 -0.0032 342 TYR A OH 5026 N N . THR A 331 ? 0.3936 0.3998 0.3483 0.0639 -0.0600 -0.0756 343 THR A N 5027 C CA . THR A 331 ? 0.3822 0.4032 0.3846 0.0338 -0.0481 -0.0751 343 THR A CA 5028 C C . THR A 331 ? 0.3525 0.3895 0.3737 0.0401 -0.0278 -0.0778 343 THR A C 5029 O O . THR A 331 ? 0.3587 0.3715 0.3886 0.0437 -0.0502 -0.0654 343 THR A O 5030 C CB . THR A 331 ? 0.4012 0.4369 0.4158 0.0138 -0.0520 -0.0688 343 THR A CB 5031 O OG1 . THR A 331 ? 0.4252 0.4685 0.4412 -0.0021 -0.0365 -0.0376 343 THR A OG1 5032 C CG2 . THR A 331 ? 0.4063 0.4502 0.4553 0.0164 -0.0666 -0.0484 343 THR A CG2 5040 N N . LEU A 332 ? 0.3339 0.3735 0.3376 0.0408 -0.0064 -0.0735 344 LEU A N 5041 C CA . LEU A 332 ? 0.3181 0.3571 0.3602 0.0310 -0.0150 -0.0861 344 LEU A CA 5042 C C . LEU A 332 ? 0.3135 0.3742 0.3653 0.0200 -0.0228 -0.0760 344 LEU A C 5043 O O . LEU A 332 ? 0.3095 0.3717 0.3918 0.0103 0.0015 -0.0597 344 LEU A O 5044 C CB . LEU A 332 ? 0.3331 0.3357 0.3540 0.0312 -0.0274 -0.0437 344 LEU A CB 5045 C CG . LEU A 332 ? 0.3114 0.3091 0.3744 0.0223 -0.0268 -0.0191 344 LEU A CG 5046 C CD1 . LEU A 332 ? 0.3149 0.3228 0.3837 0.0406 -0.0281 0.0380 344 LEU A CD1 5047 C CD2 . LEU A 332 ? 0.3315 0.3165 0.4067 0.0089 -0.0019 -0.0446 344 LEU A CD2 5059 N N . LEU A 333 ? 0.3152 0.4002 0.3358 0.0399 0.0024 -0.0839 345 LEU A N 5060 C CA . LEU A 333 ? 0.3101 0.4296 0.3407 0.0493 0.0144 -0.0838 345 LEU A CA 5061 C C . LEU A 333 ? 0.3238 0.4335 0.3740 0.0522 0.0104 -0.0578 345 LEU A C 5062 O O . LEU A 333 ? 0.3180 0.4554 0.3613 0.0569 0.0160 -0.0644 345 LEU A O 5063 C CB . LEU A 333 ? 0.3285 0.4540 0.3678 0.0454 0.0166 -0.0904 345 LEU A CB 5064 C CG . LEU A 333 ? 0.3571 0.4973 0.4125 0.0582 -0.0059 -0.0546 345 LEU A CG 5065 C CD1 . LEU A 333 ? 0.3755 0.4999 0.4218 0.0739 -0.0059 -0.0362 345 LEU A CD1 5066 C CD2 . LEU A 333 ? 0.3608 0.5278 0.4478 0.0560 -0.0268 -0.0578 345 LEU A CD2 5078 N N . ASP A 334 ? 0.3312 0.4009 0.3818 0.0601 -0.0036 -0.0649 346 ASP A N 5079 C CA . ASP A 334 ? 0.3344 0.3739 0.3631 0.0799 0.0094 -0.0612 346 ASP A CA 5080 C C . ASP A 334 ? 0.3477 0.3500 0.3415 0.0249 -0.0040 -0.0759 346 ASP A C 5081 O O . ASP A 334 ? 0.3648 0.3590 0.3295 0.0099 -0.0054 -0.0848 346 ASP A O 5082 C CB . ASP A 334 ? 0.3487 0.3649 0.3495 0.1115 -0.0041 -0.0582 346 ASP A CB 5083 C CG . ASP A 334 ? 0.3536 0.3976 0.3920 0.0991 0.0026 -0.0571 346 ASP A CG 5084 O OD1 . ASP A 334 ? 0.3346 0.3926 0.3638 0.0663 -0.0134 -0.0486 346 ASP A OD1 5085 O OD2 . ASP A 334 ? 0.3774 0.4288 0.4173 0.1020 0.0223 -0.0590 346 ASP A OD2 5090 N N . MET A 335 ? 0.3427 0.3396 0.3287 0.0040 0.0044 -0.0718 347 MET A N 5091 C CA A MET A 335 ? 0.3404 0.3337 0.3240 -0.0104 -0.0023 -0.0615 347 MET A CA 5092 C CA B MET A 335 ? 0.3417 0.3357 0.3188 0.0013 -0.0054 -0.0572 347 MET A CA 5093 C C . MET A 335 ? 0.3482 0.3344 0.3147 -0.0114 0.0012 -0.0454 347 MET A C 5094 O O . MET A 335 ? 0.3944 0.3465 0.3101 -0.0246 0.0175 -0.0504 347 MET A O 5095 C CB A MET A 335 ? 0.3399 0.3357 0.3299 -0.0158 -0.0071 -0.0781 347 MET A CB 5096 C CB B MET A 335 ? 0.3444 0.3416 0.3128 0.0212 -0.0171 -0.0645 347 MET A CB 5097 C CG A MET A 335 ? 0.3503 0.3418 0.3420 -0.0325 0.0054 -0.0698 347 MET A CG 5098 C CG B MET A 335 ? 0.3597 0.3508 0.3131 0.0270 -0.0096 -0.0458 347 MET A CG 5099 S SD A MET A 335 ? 0.3396 0.3405 0.3407 -0.0423 0.0091 -0.0677 347 MET A SD 5100 S SD B MET A 335 ? 0.3542 0.3515 0.3095 0.0451 -0.0097 -0.0291 347 MET A SD 5101 C CE A MET A 335 ? 0.3369 0.3347 0.3465 -0.0590 0.0067 -0.0587 347 MET A CE 5102 C CE B MET A 335 ? 0.3592 0.3463 0.2985 0.0322 -0.0100 -0.0167 347 MET A CE 5119 N N . VAL A 336 ? 0.3546 0.3206 0.3084 -0.0196 0.0052 -0.0228 348 VAL A N 5120 C CA . VAL A 336 ? 0.3365 0.3425 0.3028 -0.0018 0.0005 -0.0469 348 VAL A CA 5121 C C . VAL A 336 ? 0.3294 0.3281 0.2794 0.0125 0.0119 -0.0510 348 VAL A C 5122 O O . VAL A 336 ? 0.3246 0.3283 0.3198 0.0276 0.0114 -0.0410 348 VAL A O 5123 C CB . VAL A 336 ? 0.3394 0.3354 0.3788 0.0264 -0.0331 -0.0738 348 VAL A CB 5124 C CG1 . VAL A 336 ? 0.3449 0.3224 0.4198 0.0218 -0.0052 -0.1036 348 VAL A CG1 5125 C CG2 . VAL A 336 ? 0.3348 0.3423 0.4242 0.0654 -0.0380 -0.0530 348 VAL A CG2 5135 N N . GLN A 337 ? 0.3496 0.3138 0.2709 0.0100 0.0338 -0.0643 349 GLN A N 5136 C CA . GLN A 337 ? 0.3529 0.3045 0.2922 0.0063 0.0377 -0.0598 349 GLN A CA 5137 C C . GLN A 337 ? 0.3501 0.3074 0.3086 0.0161 0.0239 -0.0512 349 GLN A C 5138 O O . GLN A 337 ? 0.3445 0.3133 0.3211 0.0169 0.0289 -0.0656 349 GLN A O 5139 C CB . GLN A 337 ? 0.3774 0.2941 0.2963 0.0171 0.0405 -0.0802 349 GLN A CB 5140 C CG . GLN A 337 ? 0.3901 0.2719 0.3194 0.0140 0.0347 -0.0741 349 GLN A CG 5141 C CD . GLN A 337 ? 0.3941 0.2543 0.3206 0.0232 0.0184 -0.0660 349 GLN A CD 5142 O OE1 . GLN A 337 ? 0.4009 0.2538 0.3008 0.0043 0.0096 -0.0441 349 GLN A OE1 5143 N NE2 . GLN A 337 ? 0.3941 0.2372 0.3242 0.0406 -0.0056 -0.0581 349 GLN A NE2 5152 N N . TYR A 338 ? 0.3394 0.3074 0.2983 0.0208 -0.0130 -0.0289 350 TYR A N 5153 C CA . TYR A 338 ? 0.3514 0.2905 0.2961 0.0408 -0.0018 -0.0389 350 TYR A CA 5154 C C . TYR A 338 ? 0.3664 0.2767 0.3016 0.0076 -0.0084 -0.0496 350 TYR A C 5155 O O . TYR A 338 ? 0.3657 0.2815 0.3093 0.0181 -0.0116 -0.0661 350 TYR A O 5156 C CB . TYR A 338 ? 0.3508 0.3007 0.2945 0.0346 -0.0234 -0.0256 350 TYR A CB 5157 C CG . TYR A 338 ? 0.3486 0.3079 0.3119 0.0473 -0.0243 -0.0283 350 TYR A CG 5158 C CD1 . TYR A 338 ? 0.3733 0.3288 0.3484 0.0473 -0.0350 -0.0289 350 TYR A CD1 5159 C CD2 . TYR A 338 ? 0.3458 0.3148 0.3167 0.0542 -0.0234 -0.0394 350 TYR A CD2 5160 C CE1 . TYR A 338 ? 0.3903 0.3324 0.3646 0.0498 -0.0322 -0.0302 350 TYR A CE1 5161 C CE2 . TYR A 338 ? 0.3666 0.3257 0.3371 0.0456 -0.0350 -0.0177 350 TYR A CE2 5162 C CZ . TYR A 338 ? 0.3967 0.3523 0.3860 0.0456 -0.0421 -0.0166 350 TYR A CZ 5163 O OH . TYR A 338 ? 0.4301 0.3688 0.4232 0.0311 -0.0247 -0.0115 350 TYR A OH 5173 N N . TYR A 339 ? 0.3927 0.2675 0.2947 -0.0077 -0.0045 -0.0494 351 TYR A N 5174 C CA . TYR A 339 ? 0.3910 0.2620 0.2796 -0.0152 -0.0140 -0.0550 351 TYR A CA 5175 C C . TYR A 339 ? 0.3898 0.2601 0.3080 0.0028 -0.0044 -0.0523 351 TYR A C 5176 O O . TYR A 339 ? 0.3836 0.2727 0.3311 0.0058 0.0000 -0.0368 351 TYR A O 5177 C CB . TYR A 339 ? 0.4042 0.2841 0.2825 -0.0290 -0.0291 -0.0594 351 TYR A CB 5178 C CG . TYR A 339 ? 0.4113 0.2911 0.2830 -0.0340 -0.0028 -0.0568 351 TYR A CG 5179 C CD1 . TYR A 339 ? 0.3920 0.3182 0.2904 -0.0371 0.0326 -0.0551 351 TYR A CD1 5180 C CD2 . TYR A 339 ? 0.4302 0.3052 0.3111 -0.0317 -0.0018 -0.0786 351 TYR A CD2 5181 C CE1 . TYR A 339 ? 0.3912 0.3346 0.2977 -0.0175 0.0179 -0.0614 351 TYR A CE1 5182 C CE2 . TYR A 339 ? 0.4251 0.3378 0.3316 -0.0307 0.0004 -0.0695 351 TYR A CE2 5183 C CZ . TYR A 339 ? 0.4027 0.3550 0.3122 -0.0235 0.0240 -0.0857 351 TYR A CZ 5184 O OH . TYR A 339 ? 0.4075 0.3840 0.3535 -0.0085 0.0332 -0.0955 351 TYR A OH 5194 N N . LEU A 340 ? 0.4002 0.2498 0.3277 0.0094 -0.0020 -0.0649 352 LEU A N 5195 C CA . LEU A 340 ? 0.3721 0.2624 0.2942 -0.0189 -0.0220 -0.0831 352 LEU A CA 5196 C C . LEU A 340 ? 0.3827 0.2685 0.2934 0.0119 0.0090 -0.0822 352 LEU A C 5197 O O . LEU A 340 ? 0.3838 0.2830 0.2904 0.0247 0.0161 -0.0557 352 LEU A O 5198 C CB . LEU A 340 ? 0.3772 0.2858 0.2958 -0.0342 -0.0110 -0.0643 352 LEU A CB 5199 C CG . LEU A 340 ? 0.3907 0.2966 0.2968 -0.0356 -0.0012 -0.0453 352 LEU A CG 5200 C CD1 . LEU A 340 ? 0.3879 0.3048 0.3226 -0.0419 -0.0155 -0.0407 352 LEU A CD1 5201 C CD2 . LEU A 340 ? 0.4065 0.3047 0.2673 -0.0334 -0.0008 -0.0435 352 LEU A CD2 5213 N N . ASN A 341 ? 0.4104 0.2935 0.2995 0.0115 0.0492 -0.0621 353 ASN A N 5214 C CA . ASN A 341 ? 0.4412 0.2801 0.3023 -0.0223 0.0544 -0.0540 353 ASN A CA 5215 C C . ASN A 341 ? 0.4390 0.2736 0.2853 -0.0171 0.0181 -0.0552 353 ASN A C 5216 O O . ASN A 341 ? 0.4469 0.2816 0.2964 -0.0242 0.0257 -0.0426 353 ASN A O 5217 C CB . ASN A 341 ? 0.4730 0.2965 0.3073 -0.0403 0.0751 -0.0674 353 ASN A CB 5218 C CG . ASN A 341 ? 0.4996 0.3345 0.3179 -0.0620 0.0417 -0.0759 353 ASN A CG 5219 O OD1 . ASN A 341 ? 0.4724 0.3414 0.3283 -0.0500 0.0272 -0.0598 353 ASN A OD1 5220 N ND2 . ASN A 341 ? 0.5455 0.3752 0.3078 -0.0896 0.0543 -0.0779 353 ASN A ND2 5226 N N . LEU A 342 ? 0.4380 0.2574 0.2837 -0.0147 0.0005 -0.0287 354 LEU A N 5227 C CA . LEU A 342 ? 0.4386 0.2440 0.2899 -0.0387 0.0155 -0.0563 354 LEU A CA 5228 C C . LEU A 342 ? 0.4262 0.2551 0.2846 -0.0407 0.0182 -0.0463 354 LEU A C 5229 O O . LEU A 342 ? 0.4096 0.2806 0.3222 -0.0483 -0.0012 -0.0499 354 LEU A O 5230 C CB . LEU A 342 ? 0.4440 0.2751 0.3036 -0.0220 0.0207 -0.0350 354 LEU A CB 5231 C CG . LEU A 342 ? 0.4360 0.2808 0.3316 -0.0266 0.0313 -0.0415 354 LEU A CG 5232 C CD1 . LEU A 342 ? 0.4278 0.3083 0.3260 -0.0142 0.0711 -0.0340 354 LEU A CD1 5233 C CD2 . LEU A 342 ? 0.4484 0.2730 0.3492 -0.0490 0.0125 -0.0608 354 LEU A CD2 5245 N N . THR A 343 ? 0.4633 0.2630 0.2865 -0.0466 0.0007 -0.0321 355 THR A N 5246 C CA A THR A 343 ? 0.4820 0.2839 0.2902 -0.0537 -0.0044 -0.0259 355 THR A CA 5247 C CA B THR A 343 ? 0.4891 0.2783 0.2831 -0.0504 0.0001 -0.0306 355 THR A CA 5248 C C . THR A 343 ? 0.4948 0.2772 0.2909 -0.0531 -0.0128 -0.0171 355 THR A C 5249 O O . THR A 343 ? 0.5398 0.2945 0.2942 -0.0414 -0.0329 -0.0452 355 THR A O 5250 C CB A THR A 343 ? 0.4895 0.3154 0.3064 -0.0659 0.0113 -0.0195 355 THR A CB 5251 C CB B THR A 343 ? 0.5114 0.2991 0.2840 -0.0549 0.0272 -0.0281 355 THR A CB 5252 O OG1 A THR A 343 ? 0.4836 0.3475 0.3030 -0.0810 0.0073 -0.0111 355 THR A OG1 5253 O OG1 B THR A 343 ? 0.5197 0.3104 0.3155 -0.0803 0.0342 -0.0395 355 THR A OG1 5254 C CG2 A THR A 343 ? 0.4924 0.3197 0.3294 -0.0739 0.0135 -0.0239 355 THR A CG2 5255 C CG2 B THR A 343 ? 0.5190 0.3042 0.2661 -0.0523 0.0287 -0.0083 355 THR A CG2 5268 N N . GLU A 344 ? 0.4940 0.2688 0.2891 -0.0210 -0.0161 -0.0058 356 GLU A N 5269 C CA . GLU A 344 ? 0.4872 0.2800 0.3026 -0.0342 -0.0148 -0.0267 356 GLU A CA 5270 C C . GLU A 344 ? 0.5005 0.2610 0.2743 -0.0262 -0.0122 -0.0384 356 GLU A C 5271 O O . GLU A 344 ? 0.5076 0.2762 0.3065 -0.0369 0.0265 -0.0769 356 GLU A O 5272 C CB . GLU A 344 ? 0.4912 0.2998 0.3365 -0.0240 -0.0118 -0.0383 356 GLU A CB 5273 C CG . GLU A 344 ? 0.5148 0.3486 0.4125 -0.0093 -0.0148 -0.0346 356 GLU A CG 5274 C CD . GLU A 344 ? 0.5551 0.4063 0.5519 -0.0058 -0.0535 -0.0456 356 GLU A CD 5275 O OE1 . GLU A 344 ? 0.5679 0.4538 0.6226 -0.0189 -0.0742 -0.0135 356 GLU A OE1 5276 O OE2 . GLU A 344 ? 0.5742 0.4403 0.5888 0.0105 -0.0664 -0.0719 356 GLU A OE2 5283 N N . ALA A 345 ? 0.4942 0.2530 0.2716 -0.0160 -0.0033 -0.0303 357 ALA A N 5284 C CA . ALA A 345 ? 0.4931 0.2504 0.2614 0.0052 0.0030 -0.0465 357 ALA A CA 5285 C C . ALA A 345 ? 0.4888 0.2435 0.2897 -0.0212 0.0021 -0.0318 357 ALA A C 5286 O O . ALA A 345 ? 0.4931 0.2580 0.3035 -0.0494 -0.0097 -0.0325 357 ALA A O 5287 C CB . ALA A 345 ? 0.5008 0.2555 0.2644 0.0388 0.0165 -0.0837 357 ALA A CB 5293 N N . ASN A 346 ? 0.4830 0.2596 0.2747 -0.0196 -0.0005 -0.0143 358 ASN A N 5294 C CA . ASN A 346 ? 0.4866 0.2658 0.2889 -0.0214 -0.0201 -0.0536 358 ASN A CA 5295 C C . ASN A 346 ? 0.4997 0.2836 0.2964 0.0013 -0.0231 -0.0532 358 ASN A C 5296 O O . ASN A 346 ? 0.4796 0.2983 0.3292 -0.0046 -0.0684 -0.0448 358 ASN A O 5297 C CB . ASN A 346 ? 0.4780 0.2639 0.2967 0.0127 -0.0204 -0.0544 358 ASN A CB 5298 C CG . ASN A 346 ? 0.4987 0.2733 0.2939 0.0181 -0.0287 -0.0497 358 ASN A CG 5299 O OD1 . ASN A 346 ? 0.4959 0.2908 0.3304 -0.0082 -0.0163 -0.0435 358 ASN A OD1 5300 N ND2 . ASN A 346 ? 0.5187 0.2681 0.2974 0.0388 -0.0177 -0.0508 358 ASN A ND2 5307 N N . LEU A 347 ? 0.5091 0.2742 0.2765 0.0034 0.0118 -0.0163 359 LEU A N 5308 C CA . LEU A 347 ? 0.5270 0.2763 0.2907 0.0174 -0.0010 -0.0361 359 LEU A CA 5309 C C . LEU A 347 ? 0.5493 0.2836 0.2816 0.0010 -0.0191 -0.0340 359 LEU A C 5310 O O . LEU A 347 ? 0.5899 0.3191 0.2981 0.0023 -0.0211 0.0021 359 LEU A O 5311 C CB . LEU A 347 ? 0.5382 0.2909 0.3163 0.0061 0.0075 -0.0466 359 LEU A CB 5312 C CG . LEU A 347 ? 0.5513 0.3022 0.3416 -0.0093 0.0138 -0.0404 359 LEU A CG 5313 C CD1 . LEU A 347 ? 0.5621 0.2945 0.3484 -0.0104 -0.0287 -0.0563 359 LEU A CD1 5314 C CD2 . LEU A 347 ? 0.5585 0.3182 0.3491 -0.0012 0.0557 -0.0076 359 LEU A CD2 5326 N N . LYS A 348 ? 0.5273 0.2705 0.2719 -0.0089 -0.0122 -0.0536 360 LYS A N 5327 C CA . LYS A 348 ? 0.5098 0.2626 0.2940 0.0043 -0.0122 -0.0465 360 LYS A CA 5328 C C . LYS A 348 ? 0.4977 0.2695 0.3003 0.0065 -0.0099 -0.0533 360 LYS A C 5329 O O . LYS A 348 ? 0.4917 0.2953 0.3259 0.0224 0.0131 -0.0322 360 LYS A O 5330 C CB . LYS A 348 ? 0.5255 0.2583 0.3011 -0.0016 0.0093 -0.0537 360 LYS A CB 5331 C CG . LYS A 348 ? 0.5269 0.2612 0.3407 -0.0054 -0.0046 -0.0731 360 LYS A CG 5332 C CD . LYS A 348 ? 0.5282 0.2805 0.3587 -0.0031 -0.0259 -0.0576 360 LYS A CD 5333 C CE . LYS A 348 ? 0.5235 0.3086 0.3629 0.0100 -0.0364 -0.0534 360 LYS A CE 5334 N NZ . LYS A 348 ? 0.5206 0.3302 0.3847 0.0227 -0.0325 -0.0660 360 LYS A NZ 5348 N N . GLY A 349 ? 0.4946 0.2676 0.3117 -0.0233 0.0051 -0.0725 361 GLY A N 5349 C CA . GLY A 349 ? 0.5017 0.2761 0.3116 -0.0105 0.0076 -0.0518 361 GLY A CA 5350 C C . GLY A 349 ? 0.4839 0.2670 0.3162 -0.0001 -0.0133 -0.0497 361 GLY A C 5351 O O . GLY A 349 ? 0.4709 0.2891 0.3124 -0.0057 -0.0153 -0.0582 361 GLY A O 5355 N N . GLU A 350 ? 0.4951 0.2563 0.3195 -0.0026 -0.0283 -0.0381 362 GLU A N 5356 C CA . GLU A 350 ? 0.4964 0.2713 0.3184 -0.0098 -0.0487 -0.0520 362 GLU A CA 5357 C C . GLU A 350 ? 0.4830 0.2875 0.2998 -0.0108 -0.0408 -0.0067 362 GLU A C 5358 O O . GLU A 350 ? 0.4780 0.3000 0.2961 -0.0197 -0.0329 -0.0167 362 GLU A O 5359 C CB . GLU A 350 ? 0.5439 0.3060 0.3658 -0.0036 -0.0467 -0.0754 362 GLU A CB 5360 C CG . GLU A 350 ? 0.5748 0.3567 0.3482 0.0058 -0.0467 -0.1040 362 GLU A CG 5361 C CD . GLU A 350 ? 0.6065 0.4110 0.3450 0.0155 -0.0539 -0.0606 362 GLU A CD 5362 O OE1 . GLU A 350 ? 0.6060 0.4143 0.3271 0.0639 -0.0767 -0.0293 362 GLU A OE1 5363 O OE2 . GLU A 350 ? 0.6237 0.4277 0.3268 -0.0015 -0.0698 -0.0790 362 GLU A OE2 5370 N N . SER A 351 ? 0.4945 0.2960 0.3030 -0.0135 -0.0195 0.0050 363 SER A N 5371 C CA . SER A 351 ? 0.5041 0.3026 0.3067 -0.0113 -0.0265 -0.0200 363 SER A CA 5372 C C . SER A 351 ? 0.5018 0.3288 0.3395 0.0079 -0.0050 -0.0498 363 SER A C 5373 O O . SER A 351 ? 0.5210 0.3628 0.3535 0.0282 -0.0206 -0.0599 363 SER A O 5374 C CB . SER A 351 ? 0.5232 0.2749 0.3209 -0.0076 -0.0006 -0.0241 363 SER A CB 5375 O OG . SER A 351 ? 0.5389 0.2851 0.3126 -0.0141 -0.0110 -0.0278 363 SER A OG 5381 N N . ASN A 352 ? 0.4766 0.3457 0.3526 -0.0091 0.0114 -0.0745 364 ASN A N 5382 C CA . ASN A 352 ? 0.4792 0.3701 0.3860 0.0025 0.0270 -0.0983 364 ASN A CA 5383 C C . ASN A 352 ? 0.4543 0.3377 0.3602 0.0206 0.0217 -0.0943 364 ASN A C 5384 O O . ASN A 352 ? 0.4694 0.3441 0.3700 0.0173 0.0280 -0.0786 364 ASN A O 5385 C CB . ASN A 352 ? 0.4869 0.4176 0.3921 0.0041 0.0163 -0.1045 364 ASN A CB 5386 C CG . ASN A 352 ? 0.4841 0.4540 0.4450 0.0358 0.0356 -0.0961 364 ASN A CG 5387 O OD1 . ASN A 352 ? 0.4495 0.4516 0.4644 0.0521 -0.0061 -0.0785 364 ASN A OD1 5388 N ND2 . ASN A 352 ? 0.5154 0.4933 0.5025 0.0127 0.0479 -0.0958 364 ASN A ND2 5395 N N . TRP A 353 ? 0.4296 0.2999 0.3338 0.0281 0.0217 -0.0861 365 TRP A N 5396 C CA . TRP A 353 ? 0.4187 0.2584 0.3207 0.0404 0.0263 -0.0802 365 TRP A CA 5397 C C . TRP A 353 ? 0.3943 0.2718 0.3636 0.0373 0.0100 -0.0779 365 TRP A C 5398 O O . TRP A 353 ? 0.3944 0.2964 0.4078 0.0337 -0.0185 -0.0809 365 TRP A O 5399 C CB . TRP A 353 ? 0.4242 0.2308 0.2917 0.0470 0.0101 -0.0541 365 TRP A CB 5400 C CG . TRP A 353 ? 0.4124 0.2323 0.2715 0.0329 -0.0202 -0.0252 365 TRP A CG 5401 C CD1 . TRP A 353 ? 0.4374 0.2750 0.3062 0.0325 -0.0206 0.0121 365 TRP A CD1 5402 C CD2 . TRP A 353 ? 0.4131 0.2397 0.2713 0.0205 -0.0112 -0.0048 365 TRP A CD2 5403 N NE1 . TRP A 353 ? 0.4095 0.2804 0.2955 0.0470 -0.0169 0.0076 365 TRP A NE1 5404 C CE2 . TRP A 353 ? 0.4145 0.2607 0.2903 0.0575 0.0040 -0.0049 365 TRP A CE2 5405 C CE3 . TRP A 353 ? 0.4015 0.2619 0.2874 0.0098 -0.0171 -0.0335 365 TRP A CE3 5406 C CZ2 . TRP A 353 ? 0.4263 0.2642 0.2989 0.0430 0.0090 -0.0221 365 TRP A CZ2 5407 C CZ3 . TRP A 353 ? 0.3850 0.2563 0.3046 0.0126 -0.0196 -0.0241 365 TRP A CZ3 5408 C CH2 . TRP A 353 ? 0.3922 0.2621 0.2882 0.0251 -0.0162 -0.0172 365 TRP A CH2 5419 N N . THR A 354 ? 0.3860 0.2777 0.3694 0.0552 0.0232 -0.0861 366 THR A N 5420 C CA . THR A 354 ? 0.3830 0.3138 0.3907 0.0640 -0.0027 -0.1048 366 THR A CA 5421 C C . THR A 354 ? 0.3533 0.3173 0.3706 0.0396 -0.0119 -0.0582 366 THR A C 5422 O O . THR A 354 ? 0.3651 0.3218 0.3524 0.0185 -0.0002 -0.0533 366 THR A O 5423 C CB . THR A 354 ? 0.4117 0.3551 0.4128 0.0864 0.0175 -0.1296 366 THR A CB 5424 O OG1 . THR A 354 ? 0.4718 0.3671 0.4292 0.0990 -0.0002 -0.1694 366 THR A OG1 5425 C CG2 . THR A 354 ? 0.4213 0.3679 0.4160 0.0852 0.0271 -0.1251 366 THR A CG2 5433 N N . LEU A 355 ? 0.3453 0.3322 0.4044 0.0339 -0.0330 -0.0642 367 LEU A N 5434 C CA . LEU A 355 ? 0.3493 0.3548 0.4138 0.0418 -0.0218 -0.0668 367 LEU A CA 5435 C C . LEU A 355 ? 0.3557 0.3603 0.3685 0.0575 0.0327 -0.0891 367 LEU A C 5436 O O . LEU A 355 ? 0.3740 0.3846 0.4021 0.0586 0.0295 -0.1127 367 LEU A O 5437 C CB . LEU A 355 ? 0.3867 0.3945 0.4772 0.0464 -0.0607 -0.0541 367 LEU A CB 5438 C CG . LEU A 355 ? 0.4311 0.4799 0.5487 0.0013 -0.0753 -0.0219 367 LEU A CG 5439 C CD1 . LEU A 355 ? 0.4785 0.5278 0.5956 -0.0285 -0.0667 -0.0216 367 LEU A CD1 5440 C CD2 . LEU A 355 ? 0.4718 0.5132 0.5514 -0.0153 -0.0681 -0.0417 367 LEU A CD2 5452 N N . GLU A 356 ? 0.3614 0.3625 0.3345 0.0333 0.0495 -0.0894 368 GLU A N 5453 C CA . GLU A 356 ? 0.3715 0.3657 0.3066 0.0307 0.0238 -0.0653 368 GLU A CA 5454 C C . GLU A 356 ? 0.3873 0.3795 0.3150 0.0257 0.0485 -0.0614 368 GLU A C 5455 O O . GLU A 356 ? 0.4249 0.3970 0.3175 0.0176 0.0370 -0.0622 368 GLU A O 5456 C CB . GLU A 356 ? 0.3609 0.3696 0.2894 0.0226 0.0161 -0.0722 368 GLU A CB 5457 C CG . GLU A 356 ? 0.3812 0.3565 0.2616 0.0230 -0.0014 -0.0700 368 GLU A CG 5458 C CD . GLU A 356 ? 0.3936 0.3568 0.2758 0.0127 -0.0016 -0.0519 368 GLU A CD 5459 O OE1 . GLU A 356 ? 0.3891 0.3454 0.2948 0.0175 -0.0068 -0.0578 368 GLU A OE1 5460 O OE2 . GLU A 356 ? 0.4080 0.3597 0.2717 -0.0087 0.0065 -0.0284 368 GLU A OE2 5467 N N . TYR A 357 ? 0.3695 0.3678 0.3257 0.0088 0.0407 -0.0731 369 TYR A N 5468 C CA . TYR A 357 ? 0.3777 0.3720 0.3285 0.0207 0.0356 -0.0859 369 TYR A CA 5469 C C . TYR A 357 ? 0.3644 0.3683 0.3461 0.0080 0.0190 -0.0738 369 TYR A C 5470 O O . TYR A 357 ? 0.3688 0.3584 0.3378 0.0038 0.0328 -0.0571 369 TYR A O 5471 C CB . TYR A 357 ? 0.3879 0.3698 0.3476 0.0168 0.0373 -0.0911 369 TYR A CB 5472 C CG . TYR A 357 ? 0.3772 0.3671 0.3448 0.0088 0.0437 -0.0848 369 TYR A CG 5473 C CD1 . TYR A 357 ? 0.3689 0.3743 0.3398 -0.0036 0.0451 -0.0665 369 TYR A CD1 5474 C CD2 . TYR A 357 ? 0.3569 0.3656 0.3426 -0.0107 0.0477 -0.0936 369 TYR A CD2 5475 C CE1 . TYR A 357 ? 0.3521 0.3661 0.3097 -0.0178 0.0406 -0.0891 369 TYR A CE1 5476 C CE2 . TYR A 357 ? 0.3370 0.3666 0.3531 -0.0100 0.0427 -0.0869 369 TYR A CE2 5477 C CZ . TYR A 357 ? 0.3421 0.3694 0.3394 -0.0101 0.0438 -0.0904 369 TYR A CZ 5478 O OH . TYR A 357 ? 0.3303 0.3680 0.3245 0.0087 0.0327 -0.0985 369 TYR A OH 5488 N N . VAL A 358 ? 0.3587 0.3710 0.3681 0.0063 0.0005 -0.0881 370 VAL A N 5489 C CA . VAL A 358 ? 0.3612 0.3710 0.3826 0.0144 -0.0036 -0.0879 370 VAL A CA 5490 C C . VAL A 358 ? 0.3561 0.3775 0.3673 0.0406 0.0149 -0.0911 370 VAL A C 5491 O O . VAL A 358 ? 0.3520 0.3989 0.3700 0.0532 0.0268 -0.0989 370 VAL A O 5492 C CB . VAL A 358 ? 0.3641 0.3559 0.4111 0.0027 -0.0209 -0.0730 370 VAL A CB 5493 C CG1 . VAL A 358 ? 0.3791 0.3751 0.4307 0.0092 -0.0282 -0.0860 370 VAL A CG1 5494 C CG2 . VAL A 358 ? 0.3633 0.3343 0.4097 0.0240 -0.0112 -0.0592 370 VAL A CG2 5504 N N . LEU A 359 ? 0.3696 0.3831 0.3550 0.0315 0.0242 -0.0960 371 LEU A N 5505 C CA . LEU A 359 ? 0.3362 0.3661 0.3697 0.0059 0.0371 -0.0893 371 LEU A CA 5506 C C . LEU A 359 ? 0.3517 0.3719 0.3987 -0.0039 0.0188 -0.0818 371 LEU A C 5507 O O . LEU A 359 ? 0.3451 0.3702 0.4413 -0.0211 0.0263 -0.0909 371 LEU A O 5508 C CB . LEU A 359 ? 0.3454 0.3593 0.3785 -0.0116 0.0171 -0.1020 371 LEU A CB 5509 C CG . LEU A 359 ? 0.3515 0.3651 0.3969 -0.0266 0.0435 -0.0907 371 LEU A CG 5510 C CD1 . LEU A 359 ? 0.3629 0.3790 0.4475 -0.0519 0.0425 -0.1113 371 LEU A CD1 5511 C CD2 . LEU A 359 ? 0.3691 0.3726 0.3543 -0.0246 0.0401 -0.0737 371 LEU A CD2 5523 N N . THR A 360 ? 0.3657 0.3706 0.3789 -0.0092 0.0117 -0.0714 372 THR A N 5524 C CA . THR A 360 ? 0.3610 0.3946 0.3974 0.0021 0.0161 -0.0547 372 THR A CA 5525 C C . THR A 360 ? 0.3608 0.4102 0.4154 0.0060 0.0319 -0.0798 372 THR A C 5526 O O . THR A 360 ? 0.3692 0.4136 0.4280 -0.0068 0.0318 -0.0759 372 THR A O 5527 C CB . THR A 360 ? 0.3764 0.3986 0.4083 0.0203 0.0102 -0.0615 372 THR A CB 5528 O OG1 . THR A 360 ? 0.3994 0.3722 0.4325 0.0583 -0.0015 -0.0806 372 THR A OG1 5529 C CG2 . THR A 360 ? 0.3572 0.4068 0.3814 0.0194 0.0516 -0.0421 372 THR A CG2 5537 N N . GLN A 361 ? 0.3622 0.4338 0.3956 -0.0012 0.0427 -0.0851 373 GLN A N 5538 C CA A GLN A 361 ? 0.3674 0.4444 0.4089 0.0041 0.0661 -0.0772 373 GLN A CA 5539 C CA B GLN A 361 ? 0.3716 0.4532 0.4124 -0.0006 0.0683 -0.0821 373 GLN A CA 5540 C C . GLN A 361 ? 0.3620 0.4471 0.4031 -0.0038 0.0696 -0.0604 373 GLN A C 5541 O O . GLN A 361 ? 0.3802 0.4508 0.4052 0.0003 0.0719 -0.0409 373 GLN A O 5542 C CB A GLN A 361 ? 0.3942 0.4498 0.4313 0.0207 0.0708 -0.0880 373 GLN A CB 5543 C CB B GLN A 361 ? 0.4067 0.4751 0.4410 0.0081 0.0784 -0.1039 373 GLN A CB 5544 C CG A GLN A 361 ? 0.4190 0.4587 0.4612 0.0227 0.0743 -0.0922 373 GLN A CG 5545 C CG B GLN A 361 ? 0.4385 0.4987 0.4745 0.0028 0.0903 -0.1190 373 GLN A CG 5546 C CD A GLN A 361 ? 0.4553 0.4734 0.4871 0.0178 0.0731 -0.0835 373 GLN A CD 5547 C CD B GLN A 361 ? 0.4727 0.5170 0.5056 0.0064 0.1062 -0.1454 373 GLN A CD 5548 O OE1 A GLN A 361 ? 0.4902 0.4872 0.5088 0.0190 0.0951 -0.0773 373 GLN A OE1 5549 O OE1 B GLN A 361 ? 0.4897 0.5190 0.5108 -0.0161 0.0917 -0.1674 373 GLN A OE1 5550 N NE2 A GLN A 361 ? 0.4441 0.4699 0.4962 0.0135 0.0686 -0.0795 373 GLN A NE2 5551 N NE2 B GLN A 361 ? 0.4812 0.5317 0.5473 0.0233 0.1254 -0.1235 373 GLN A NE2 5566 N N . ALA A 362 ? 0.3651 0.4453 0.3992 -0.0220 0.0534 -0.0680 374 ALA A N 5567 C CA . ALA A 362 ? 0.3641 0.4328 0.3611 -0.0353 0.0528 -0.0695 374 ALA A CA 5568 C C . ALA A 362 ? 0.3725 0.4557 0.3668 -0.0367 0.0643 -0.0909 374 ALA A C 5569 O O . ALA A 362 ? 0.3896 0.4680 0.3684 -0.0532 0.0724 -0.0803 374 ALA A O 5570 C CB . ALA A 362 ? 0.3639 0.4183 0.3438 -0.0412 0.0241 -0.0533 374 ALA A CB 5576 N N . TYR A 363 ? 0.3684 0.4471 0.3813 -0.0235 0.0547 -0.1077 375 TYR A N 5577 C CA . TYR A 363 ? 0.3751 0.4581 0.3928 -0.0153 0.0409 -0.0982 375 TYR A CA 5578 C C . TYR A 363 ? 0.3773 0.4693 0.4147 -0.0201 0.0229 -0.1079 375 TYR A C 5579 O O . TYR A 363 ? 0.3860 0.4717 0.4319 -0.0117 0.0360 -0.0924 375 TYR A O 5580 C CB . TYR A 363 ? 0.3796 0.4600 0.3436 -0.0226 0.0407 -0.0762 375 TYR A CB 5581 C CG . TYR A 363 ? 0.3696 0.4380 0.3356 -0.0205 0.0379 -0.0622 375 TYR A CG 5582 C CD1 . TYR A 363 ? 0.3628 0.4274 0.3357 -0.0265 0.0325 -0.0465 375 TYR A CD1 5583 C CD2 . TYR A 363 ? 0.3683 0.4102 0.3298 -0.0230 0.0369 -0.0318 375 TYR A CD2 5584 C CE1 . TYR A 363 ? 0.3711 0.4167 0.3502 -0.0237 0.0447 -0.0275 375 TYR A CE1 5585 C CE2 . TYR A 363 ? 0.3758 0.3978 0.3356 -0.0211 0.0381 -0.0415 375 TYR A CE2 5586 C CZ . TYR A 363 ? 0.3697 0.4061 0.3490 -0.0237 0.0371 -0.0167 375 TYR A CZ 5587 O OH . TYR A 363 ? 0.3861 0.4030 0.3723 -0.0257 0.0233 -0.0030 375 TYR A OH 5597 N N . SER A 364 ? 0.3816 0.4971 0.4324 -0.0216 0.0415 -0.1291 376 SER A N 5598 C CA . SER A 364 ? 0.4010 0.5234 0.4622 -0.0376 0.0404 -0.1149 376 SER A CA 5599 C C . SER A 364 ? 0.3902 0.5345 0.4688 -0.0470 0.0401 -0.0868 376 SER A C 5600 O O . SER A 364 ? 0.4147 0.5684 0.4631 -0.0505 0.0391 -0.0818 376 SER A O 5601 C CB . SER A 364 ? 0.4355 0.5589 0.4859 -0.0467 0.0633 -0.1347 376 SER A CB 5602 O OG . SER A 364 ? 0.4580 0.5972 0.5033 -0.0477 0.0905 -0.1490 376 SER A OG 5608 N N . VAL A 365 ? 0.3737 0.5193 0.4919 -0.0216 0.0143 -0.0725 377 VAL A N 5609 C CA . VAL A 365 ? 0.3452 0.4896 0.4537 -0.0164 0.0011 -0.0718 377 VAL A CA 5610 C C . VAL A 365 ? 0.3557 0.4801 0.4560 -0.0051 -0.0030 -0.0579 377 VAL A C 5611 O O . VAL A 365 ? 0.3566 0.4703 0.4356 -0.0225 -0.0086 -0.0565 377 VAL A O 5612 C CB . VAL A 365 ? 0.3503 0.4878 0.4662 -0.0242 -0.0197 -0.0990 377 VAL A CB 5613 C CG1 . VAL A 365 ? 0.3591 0.4696 0.4706 -0.0229 -0.0274 -0.0664 377 VAL A CG1 5614 C CG2 . VAL A 365 ? 0.3248 0.4945 0.4660 -0.0174 -0.0205 -0.1342 377 VAL A CG2 5624 N N . ALA A 366 ? 0.3589 0.4707 0.4396 0.0024 -0.0237 -0.0505 378 ALA A N 5625 C CA . ALA A 366 ? 0.3886 0.4725 0.4567 0.0193 -0.0278 -0.0756 378 ALA A CA 5626 C C . ALA A 366 ? 0.4059 0.4338 0.4428 0.0207 -0.0340 -0.0941 378 ALA A C 5627 O O . ALA A 366 ? 0.4346 0.4373 0.4697 0.0187 -0.0485 -0.1152 378 ALA A O 5628 C CB . ALA A 366 ? 0.4124 0.4934 0.4678 0.0065 -0.0129 -0.0896 378 ALA A CB 5634 N N . ASP A 367 ? 0.3816 0.4072 0.4187 0.0284 -0.0382 -0.0981 379 ASP A N 5635 C CA . ASP A 367 ? 0.3618 0.3966 0.4058 0.0221 -0.0342 -0.0873 379 ASP A CA 5636 C C . ASP A 367 ? 0.3433 0.3979 0.3877 0.0285 -0.0173 -0.0806 379 ASP A C 5637 O O . ASP A 367 ? 0.3311 0.4021 0.3822 0.0222 -0.0330 -0.0782 379 ASP A O 5638 C CB . ASP A 367 ? 0.3707 0.4178 0.4479 0.0089 -0.0320 -0.1026 379 ASP A CB 5639 C CG . ASP A 367 ? 0.3862 0.4513 0.4764 -0.0138 -0.0407 -0.0934 379 ASP A CG 5640 O OD1 . ASP A 367 ? 0.3804 0.4286 0.4703 -0.0394 -0.0378 -0.0950 379 ASP A OD1 5641 O OD2 . ASP A 367 ? 0.4075 0.4802 0.5205 -0.0203 -0.0487 -0.0650 379 ASP A OD2 5646 N N . LEU A 368 ? 0.3402 0.3800 0.3615 0.0328 -0.0040 -0.0768 380 LEU A N 5647 C CA . LEU A 368 ? 0.3494 0.3770 0.3344 0.0170 -0.0386 -0.0747 380 LEU A CA 5648 C C . LEU A 368 ? 0.3625 0.3871 0.3206 0.0217 -0.0263 -0.0689 380 LEU A C 5649 O O . LEU A 368 ? 0.3687 0.3567 0.3390 0.0156 -0.0286 -0.0667 380 LEU A O 5650 C CB . LEU A 368 ? 0.3571 0.3975 0.3323 0.0158 0.0054 -0.0468 380 LEU A CB 5651 C CG . LEU A 368 ? 0.3800 0.4021 0.3482 -0.0128 0.0014 -0.0873 380 LEU A CG 5652 C CD1 . LEU A 368 ? 0.4127 0.4359 0.3745 -0.0303 -0.0241 -0.1047 380 LEU A CD1 5653 C CD2 . LEU A 368 ? 0.4030 0.3861 0.3400 -0.0085 0.0001 -0.0815 380 LEU A CD2 5665 N N . GLN A 369 ? 0.3626 0.4015 0.3381 0.0214 -0.0155 -0.0983 381 GLN A N 5666 C CA . GLN A 369 ? 0.3787 0.4212 0.3667 0.0094 -0.0391 -0.1041 381 GLN A CA 5667 C C . GLN A 369 ? 0.3339 0.4244 0.3450 0.0059 -0.0012 -0.1135 381 GLN A C 5668 O O . GLN A 369 ? 0.3149 0.4554 0.3542 -0.0147 0.0216 -0.1133 381 GLN A O 5669 C CB . GLN A 369 ? 0.4302 0.4207 0.4187 0.0163 -0.0629 -0.0976 381 GLN A CB 5670 C CG . GLN A 369 ? 0.4840 0.4576 0.4664 0.0144 -0.0688 -0.0931 381 GLN A CG 5671 C CD . GLN A 369 ? 0.5147 0.4991 0.4821 0.0057 -0.0715 -0.0820 381 GLN A CD 5672 O OE1 . GLN A 369 ? 0.5386 0.5147 0.4609 -0.0014 -0.0716 -0.0891 381 GLN A OE1 5673 N NE2 . GLN A 369 ? 0.5124 0.5172 0.4974 0.0080 -0.0725 -0.0766 381 GLN A NE2 5682 N N . PRO A 370 ? 0.3241 0.4419 0.3328 0.0183 0.0066 -0.1104 382 PRO A N 5683 C CA . PRO A 370 ? 0.3312 0.4213 0.3609 0.0152 0.0133 -0.0950 382 PRO A CA 5684 C C . PRO A 370 ? 0.3557 0.4380 0.3907 0.0062 0.0178 -0.1014 382 PRO A C 5685 O O . PRO A 370 ? 0.3468 0.4270 0.4110 -0.0175 0.0206 -0.0712 382 PRO A O 5686 C CB . PRO A 370 ? 0.3423 0.4348 0.3418 0.0349 0.0278 -0.0806 382 PRO A CB 5687 C CG . PRO A 370 ? 0.3473 0.4293 0.3433 0.0377 0.0010 -0.0836 382 PRO A CG 5688 C CD . PRO A 370 ? 0.3359 0.4368 0.3400 0.0300 0.0211 -0.0833 382 PRO A CD 5696 N N . LYS A 371 ? 0.3481 0.4407 0.3838 -0.0095 0.0222 -0.1255 383 LYS A N 5697 C CA . LYS A 371 ? 0.3842 0.4833 0.4103 -0.0125 0.0181 -0.1414 383 LYS A CA 5698 C C . LYS A 371 ? 0.3796 0.4664 0.3879 -0.0095 0.0198 -0.1211 383 LYS A C 5699 O O . LYS A 371 ? 0.3803 0.4685 0.3879 -0.0139 0.0264 -0.1035 383 LYS A O 5700 C CB . LYS A 371 ? 0.4205 0.5515 0.4639 -0.0500 0.0056 -0.1706 383 LYS A CB 5701 C CG . LYS A 371 ? 0.4868 0.6085 0.5366 -0.0418 0.0129 -0.1701 383 LYS A CG 5702 C CD . LYS A 371 ? 0.5166 0.6277 0.5912 -0.0425 0.0228 -0.1530 383 LYS A CD 5703 C CE . LYS A 371 ? 0.5417 0.6476 0.6293 -0.0391 0.0455 -0.1068 383 LYS A CE 5704 N NZ . LYS A 371 ? 0.5542 0.6408 0.6445 -0.0503 0.0427 -0.0736 383 LYS A NZ 5718 N N . SER A 372 ? 0.3710 0.4504 0.3697 -0.0134 0.0164 -0.1086 384 SER A N 5719 C CA . SER A 372 ? 0.3653 0.4503 0.3676 -0.0040 0.0520 -0.1081 384 SER A CA 5720 C C . SER A 372 ? 0.3545 0.4577 0.3740 -0.0331 0.0433 -0.1152 384 SER A C 5721 O O . SER A 372 ? 0.3518 0.4631 0.4033 -0.0439 0.0485 -0.1378 384 SER A O 5722 C CB . SER A 372 ? 0.3771 0.4611 0.4115 0.0185 0.0067 -0.0902 384 SER A CB 5723 O OG . SER A 372 ? 0.3989 0.4723 0.4324 0.0381 -0.0211 -0.0528 384 SER A OG 5729 N N . LEU A 373 ? 0.3384 0.4386 0.3639 -0.0693 0.0354 -0.0784 385 LEU A N 5730 C CA . LEU A 373 ? 0.3764 0.4493 0.3669 -0.0467 0.0144 -0.0657 385 LEU A CA 5731 C C . LEU A 373 ? 0.3625 0.4321 0.3447 -0.0467 0.0249 -0.0769 385 LEU A C 5732 O O . LEU A 373 ? 0.3340 0.4314 0.3440 -0.0296 -0.0138 -0.0684 385 LEU A O 5733 C CB . LEU A 373 ? 0.3960 0.4739 0.3681 -0.0440 -0.0001 -0.0810 385 LEU A CB 5734 C CG . LEU A 373 ? 0.4075 0.5048 0.3415 -0.0615 -0.0138 -0.0822 385 LEU A CG 5735 C CD1 . LEU A 373 ? 0.4074 0.5353 0.3497 -0.0879 -0.0501 -0.0636 385 LEU A CD1 5736 C CD2 . LEU A 373 ? 0.4076 0.5043 0.3370 -0.0621 0.0029 -0.1012 385 LEU A CD2 5748 N N . TYR A 374 ? 0.3709 0.4164 0.3374 -0.0426 0.0129 -0.0858 386 TYR A N 5749 C CA . TYR A 374 ? 0.3909 0.4031 0.3518 -0.0171 0.0291 -0.0865 386 TYR A CA 5750 C C . TYR A 374 ? 0.3829 0.4090 0.3825 -0.0370 0.0394 -0.0692 386 TYR A C 5751 O O . TYR A 374 ? 0.3859 0.4057 0.3750 -0.0352 0.0575 -0.0312 386 TYR A O 5752 C CB . TYR A 374 ? 0.4351 0.4002 0.3802 0.0028 0.0096 -0.0704 386 TYR A CB 5753 C CG . TYR A 374 ? 0.5019 0.4278 0.4540 -0.0015 -0.0140 -0.0321 386 TYR A CG 5754 C CD1 . TYR A 374 ? 0.5384 0.4350 0.5294 -0.0102 -0.0018 -0.0212 386 TYR A CD1 5755 C CD2 . TYR A 374 ? 0.5432 0.4341 0.4566 -0.0093 -0.0398 0.0008 386 TYR A CD2 5756 C CE1 . TYR A 374 ? 0.5590 0.4298 0.5528 -0.0116 -0.0116 -0.0166 386 TYR A CE1 5757 C CE2 . TYR A 374 ? 0.5541 0.4347 0.4815 -0.0026 -0.0439 -0.0031 386 TYR A CE2 5758 C CZ . TYR A 374 ? 0.5495 0.4378 0.5459 -0.0150 -0.0291 -0.0058 386 TYR A CZ 5759 O OH . TYR A 374 ? 0.5430 0.4551 0.6044 -0.0123 -0.0493 0.0100 386 TYR A OH 5769 N N . ALA A 375 ? 0.3700 0.4156 0.4268 -0.0443 0.0371 -0.0868 387 ALA A N 5770 C CA . ALA A 375 ? 0.3791 0.4385 0.4677 -0.0559 0.0209 -0.1034 387 ALA A CA 5771 C C . ALA A 375 ? 0.3880 0.4481 0.4504 -0.0633 0.0328 -0.1139 387 ALA A C 5772 O O . ALA A 375 ? 0.4081 0.4739 0.4949 -0.0633 0.0403 -0.1278 387 ALA A O 5773 C CB . ALA A 375 ? 0.3596 0.4413 0.5007 -0.0647 0.0017 -0.1155 387 ALA A CB 5779 N N . LEU A 376 ? 0.3876 0.4348 0.4213 -0.0678 0.0199 -0.1156 388 LEU A N 5780 C CA . LEU A 376 ? 0.3949 0.4389 0.4044 -0.0521 0.0330 -0.0894 388 LEU A CA 5781 C C . LEU A 376 ? 0.4209 0.4437 0.4106 -0.0615 0.0399 -0.0674 388 LEU A C 5782 O O . LEU A 376 ? 0.4184 0.4443 0.3819 -0.0733 0.0330 -0.0940 388 LEU A O 5783 C CB . LEU A 376 ? 0.3740 0.4291 0.4000 -0.0561 0.0179 -0.1114 388 LEU A CB 5784 C CG . LEU A 376 ? 0.3569 0.4364 0.3865 -0.0662 0.0155 -0.1103 388 LEU A CG 5785 C CD1 . LEU A 376 ? 0.3623 0.4436 0.3765 -0.0620 0.0442 -0.1090 388 LEU A CD1 5786 C CD2 . LEU A 376 ? 0.3575 0.4193 0.3911 -0.0595 -0.0042 -0.0996 388 LEU A CD2 5798 N N . VAL A 377 ? 0.4482 0.4462 0.4171 -0.0660 0.0359 -0.0436 389 VAL A N 5799 C CA . VAL A 377 ? 0.4816 0.4554 0.4206 -0.0339 0.0323 -0.0339 389 VAL A CA 5800 C C . VAL A 377 ? 0.5218 0.4808 0.4184 -0.0131 0.0452 -0.0708 389 VAL A C 5801 O O . VAL A 377 ? 0.5411 0.4863 0.3848 0.0001 0.0512 -0.0918 389 VAL A O 5802 C CB . VAL A 377 ? 0.4956 0.4499 0.4208 -0.0121 0.0226 -0.0284 389 VAL A CB 5803 C CG1 . VAL A 377 ? 0.5175 0.4625 0.3870 -0.0060 0.0125 -0.0266 389 VAL A CG1 5804 C CG2 . VAL A 377 ? 0.4763 0.4409 0.4074 -0.0212 0.0125 -0.0401 389 VAL A CG2 5814 N N . GLN A 378 ? 0.5272 0.4894 0.4132 -0.0286 0.0564 -0.0882 390 GLN A N 5815 C CA . GLN A 378 ? 0.5543 0.4970 0.4296 -0.0560 0.0430 -0.0622 390 GLN A CA 5816 C C . GLN A 378 ? 0.5555 0.4797 0.4226 -0.1061 0.0079 -0.0578 390 GLN A C 5817 O O . GLN A 378 ? 0.5747 0.4603 0.4182 -0.1440 -0.0143 -0.0188 390 GLN A O 5818 C CB . GLN A 378 ? 0.5667 0.5162 0.4470 -0.0532 0.0594 -0.0530 390 GLN A CB 5819 C CG . GLN A 378 ? 0.5769 0.5385 0.4963 -0.0599 0.0835 -0.0319 390 GLN A CG 5820 C CD . GLN A 378 ? 0.5806 0.5442 0.4885 -0.0538 0.1011 -0.0165 390 GLN A CD 5821 O OE1 . GLN A 378 ? 0.6088 0.5766 0.5149 -0.0722 0.0980 0.0256 390 GLN A OE1 5822 N NE2 . GLN A 378 ? 0.5725 0.5308 0.4515 -0.0548 0.0719 -0.0378 390 GLN A NE2 5831 N N . GLN A 379 ? 0.5261 0.4670 0.4374 -0.1245 0.0043 -0.0582 391 GLN A N 5832 C CA . GLN A 379 ? 0.5106 0.4913 0.4448 -0.1045 0.0257 -0.0718 391 GLN A CA 5833 C C . GLN A 379 ? 0.4752 0.4887 0.4151 -0.0969 0.0235 -0.0723 391 GLN A C 5834 O O . GLN A 379 ? 0.4664 0.4820 0.3985 -0.0973 0.0338 -0.0733 391 GLN A O 5835 C CB . GLN A 379 ? 0.5525 0.5289 0.4867 -0.0588 0.0394 -0.0832 391 GLN A CB 5836 C CG . GLN A 379 ? 0.5917 0.5677 0.5587 -0.0335 0.0398 -0.0888 391 GLN A CG 5837 C CD . GLN A 379 ? 0.6269 0.6087 0.6295 0.0060 0.0454 -0.0959 391 GLN A CD 5838 O OE1 . GLN A 379 ? 0.6575 0.6290 0.6928 -0.0029 0.0426 -0.1046 391 GLN A OE1 5839 N NE2 . GLN A 379 ? 0.6279 0.6254 0.6798 0.0267 0.0555 -0.0614 391 GLN A NE2 5848 N N . PHE A 380 ? 0.4689 0.4821 0.4220 -0.0965 0.0243 -0.0815 392 PHE A N 5849 C CA . PHE A 380 ? 0.4560 0.5028 0.4018 -0.1029 0.0633 -0.0914 392 PHE A CA 5850 C C . PHE A 380 ? 0.4592 0.5066 0.4073 -0.1042 0.0747 -0.0788 392 PHE A C 5851 O O . PHE A 380 ? 0.4460 0.5275 0.4174 -0.1001 0.0686 -0.0608 392 PHE A O 5852 C CB . PHE A 380 ? 0.4422 0.5166 0.4178 -0.1135 0.0803 -0.0944 392 PHE A CB 5853 C CG . PHE A 380 ? 0.4377 0.5062 0.3964 -0.1284 0.0529 -0.1112 392 PHE A CG 5854 C CD1 . PHE A 380 ? 0.4420 0.5068 0.3786 -0.1373 0.0448 -0.1017 392 PHE A CD1 5855 C CD2 . PHE A 380 ? 0.4489 0.5072 0.3827 -0.1104 0.0596 -0.1256 392 PHE A CD2 5856 C CE1 . PHE A 380 ? 0.4349 0.5008 0.3680 -0.1413 0.0269 -0.0878 392 PHE A CE1 5857 C CE2 . PHE A 380 ? 0.4412 0.4959 0.3745 -0.1189 0.0361 -0.1194 392 PHE A CE2 5858 C CZ . PHE A 380 ? 0.4368 0.4910 0.3602 -0.1239 0.0182 -0.0953 392 PHE A CZ 5868 N N . ALA A 381 ? 0.5000 0.5103 0.4194 -0.1136 0.0622 -0.0623 393 ALA A N 5869 C CA . ALA A 381 ? 0.5505 0.5370 0.4756 -0.1124 0.0786 -0.0657 393 ALA A CA 5870 C C . ALA A 381 ? 0.5800 0.5588 0.4937 -0.0991 0.0815 -0.0217 393 ALA A C 5871 O O . ALA A 381 ? 0.6055 0.5648 0.5614 -0.0968 0.0973 0.0245 393 ALA A O 5872 C CB . ALA A 381 ? 0.5684 0.5478 0.4962 -0.1039 0.0947 -0.1002 393 ALA A CB 5878 N N . THR A 382 ? 0.5803 0.5592 0.4576 -0.1075 0.0762 -0.0338 394 THR A N 5879 C CA . THR A 382 ? 0.5731 0.5573 0.4722 -0.1181 0.0834 -0.0015 394 THR A CA 5880 C C . THR A 382 ? 0.5766 0.5634 0.4801 -0.1125 0.0882 0.0192 394 THR A C 5881 O O . THR A 382 ? 0.5701 0.5517 0.4652 -0.0991 0.1262 0.0282 394 THR A O 5882 C CB . THR A 382 ? 0.5554 0.5579 0.4899 -0.1254 0.0752 0.0070 394 THR A CB 5883 O OG1 . THR A 382 ? 0.5500 0.5984 0.5144 -0.1269 0.0552 0.0235 394 THR A OG1 5884 C CG2 . THR A 382 ? 0.5555 0.5406 0.4990 -0.1300 0.0702 0.0058 394 THR A CG2 5892 N N . LYS A 383 ? 0.5926 0.5859 0.5280 -0.1236 0.0602 0.0372 395 LYS A N 5893 C CA . LYS A 383 ? 0.5937 0.6090 0.5293 -0.1292 0.0688 0.0408 395 LYS A CA 5894 C C . LYS A 383 ? 0.5621 0.6054 0.4989 -0.1310 0.0938 0.0385 395 LYS A C 5895 O O . LYS A 383 ? 0.5440 0.5938 0.4796 -0.1530 0.0919 0.0447 395 LYS A O 5896 C CB . LYS A 383 ? 0.6288 0.6336 0.5676 -0.1153 0.0454 0.0545 395 LYS A CB 5897 C CG . LYS A 383 ? 0.6551 0.6583 0.5886 -0.1114 0.0331 0.0618 395 LYS A CG 5898 C CD . LYS A 383 ? 0.6830 0.6820 0.6296 -0.1089 0.0125 0.0629 395 LYS A CD 5899 C CE . LYS A 383 ? 0.7047 0.6987 0.6462 -0.1139 0.0179 0.0812 395 LYS A CE 5900 N NZ . LYS A 383 ? 0.7189 0.7181 0.6737 -0.1061 0.0252 0.0841 395 LYS A NZ 5914 N N . ASP A 384 ? 0.5468 0.6184 0.4942 -0.1039 0.1047 0.0285 396 ASP A N 5915 C CA . ASP A 384 ? 0.5527 0.6120 0.4699 -0.0897 0.1143 0.0177 396 ASP A CA 5916 C C . ASP A 384 ? 0.5502 0.5883 0.4514 -0.0778 0.1156 -0.0053 396 ASP A C 5917 O O . ASP A 384 ? 0.5538 0.6064 0.4544 -0.0662 0.1092 -0.0036 396 ASP A O 5918 C CB . ASP A 384 ? 0.5669 0.6403 0.4990 -0.0971 0.1031 0.0278 396 ASP A CB 5919 C CG . ASP A 384 ? 0.5826 0.6766 0.5240 -0.1016 0.0762 0.0266 396 ASP A CG 5920 O OD1 . ASP A 384 ? 0.5825 0.6997 0.5217 -0.0962 0.0495 -0.0018 396 ASP A OD1 5921 O OD2 . ASP A 384 ? 0.5940 0.6810 0.5554 -0.1139 0.0604 0.0487 396 ASP A OD2 5926 N N . SER A 385 ? 0.5321 0.5520 0.4347 -0.0771 0.1248 -0.0200 397 SER A N 5927 C CA . SER A 385 ? 0.5279 0.5348 0.4129 -0.0734 0.1071 -0.0390 397 SER A CA 5928 C C . SER A 385 ? 0.5159 0.5373 0.4225 -0.0418 0.1128 -0.0448 397 SER A C 5929 O O . SER A 385 ? 0.4977 0.5387 0.4251 -0.0413 0.1095 -0.0630 397 SER A O 5930 C CB . SER A 385 ? 0.5450 0.5104 0.3748 -0.0811 0.1000 -0.0626 397 SER A CB 5931 O OG . SER A 385 ? 0.5493 0.5094 0.3934 -0.0974 0.0882 -0.0648 397 SER A OG 5937 N N . LYS A 386 ? 0.5002 0.5492 0.4357 -0.0173 0.1319 -0.0246 398 LYS A N 5938 C CA . LYS A 386 ? 0.5036 0.5464 0.4520 -0.0122 0.1093 -0.0107 398 LYS A CA 5939 C C . LYS A 386 ? 0.4703 0.5182 0.4103 -0.0040 0.1001 -0.0373 398 LYS A C 5940 O O . LYS A 386 ? 0.4523 0.4915 0.4132 -0.0111 0.0714 -0.0581 398 LYS A O 5941 C CB . LYS A 386 ? 0.5551 0.5842 0.5075 -0.0077 0.0859 -0.0082 398 LYS A CB 5942 C CG . LYS A 386 ? 0.5959 0.6142 0.5823 0.0176 0.0660 0.0085 398 LYS A CG 5943 C CD . LYS A 386 ? 0.6261 0.6325 0.6234 0.0384 0.0424 0.0282 398 LYS A CD 5944 C CE . LYS A 386 ? 0.6480 0.6520 0.6657 0.0576 0.0271 0.0152 398 LYS A CE 5945 N NZ . LYS A 386 ? 0.6724 0.6659 0.7038 0.0684 0.0223 -0.0074 398 LYS A NZ 5959 N N . GLN A 387 ? 0.4599 0.5119 0.3843 -0.0217 0.0903 -0.0473 399 GLN A N 5960 C CA . GLN A 387 ? 0.4613 0.5140 0.3869 -0.0232 0.0857 -0.0493 399 GLN A CA 5961 C C . GLN A 387 ? 0.4803 0.4661 0.3702 -0.0147 0.0614 -0.0572 399 GLN A C 5962 O O . GLN A 387 ? 0.4755 0.4336 0.3470 -0.0074 0.0541 -0.0532 399 GLN A O 5963 C CB . GLN A 387 ? 0.4876 0.5805 0.4316 -0.0062 0.0888 -0.0546 399 GLN A CB 5964 C CG . GLN A 387 ? 0.5299 0.6338 0.4699 0.0080 0.0606 -0.0676 399 GLN A CG 5965 C CD . GLN A 387 ? 0.5713 0.6997 0.5177 0.0050 0.0362 -0.0733 399 GLN A CD 5966 O OE1 . GLN A 387 ? 0.5958 0.7268 0.5359 0.0082 0.0336 -0.0842 399 GLN A OE1 5967 N NE2 . GLN A 387 ? 0.5873 0.7269 0.5460 -0.0050 0.0276 -0.0537 399 GLN A NE2 5976 N N . PHE A 388 ? 0.4743 0.4331 0.3504 -0.0206 0.0466 -0.0562 400 PHE A N 5977 C CA . PHE A 388 ? 0.4783 0.4229 0.3471 -0.0441 0.0569 -0.0657 400 PHE A CA 5978 C C . PHE A 388 ? 0.4763 0.4266 0.3311 -0.0468 0.0466 -0.0709 400 PHE A C 5979 O O . PHE A 388 ? 0.4694 0.4180 0.3279 -0.0591 0.0675 -0.0669 400 PHE A O 5980 C CB . PHE A 388 ? 0.4781 0.3886 0.3441 -0.0657 0.0720 -0.0603 400 PHE A CB 5981 C CG . PHE A 388 ? 0.4991 0.3874 0.3541 -0.0708 0.0567 -0.0533 400 PHE A CG 5982 C CD1 . PHE A 388 ? 0.4999 0.3821 0.3590 -0.0817 0.0660 -0.0613 400 PHE A CD1 5983 C CD2 . PHE A 388 ? 0.5107 0.3939 0.3698 -0.0919 0.0681 -0.0402 400 PHE A CD2 5984 C CE1 . PHE A 388 ? 0.4953 0.3850 0.3475 -0.0956 0.0928 -0.0719 400 PHE A CE1 5985 C CE2 . PHE A 388 ? 0.5020 0.3878 0.3599 -0.0965 0.0774 -0.0466 400 PHE A CE2 5986 C CZ . PHE A 388 ? 0.5055 0.3898 0.3535 -0.0893 0.0935 -0.0213 400 PHE A CZ 5996 N N . LEU A 389 ? 0.4659 0.4419 0.3271 -0.0530 0.0369 -0.0580 401 LEU A N 5997 C CA . LEU A 389 ? 0.4587 0.4764 0.3181 -0.0448 0.0502 -0.0842 401 LEU A CA 5998 C C . LEU A 389 ? 0.4378 0.4696 0.3261 -0.0262 0.0744 -0.0797 401 LEU A C 5999 O O . LEU A 389 ? 0.4376 0.4877 0.3468 -0.0192 0.0902 -0.0661 401 LEU A O 6000 C CB . LEU A 389 ? 0.4790 0.4979 0.3448 -0.0471 0.0383 -0.0768 401 LEU A CB 6001 C CG . LEU A 389 ? 0.5017 0.5214 0.3793 -0.0072 0.0630 -0.0586 401 LEU A CG 6002 C CD1 . LEU A 389 ? 0.5150 0.5224 0.4355 0.0003 0.0829 -0.0491 401 LEU A CD1 6003 C CD2 . LEU A 389 ? 0.5154 0.5477 0.3878 0.0245 0.0494 -0.0468 401 LEU A CD2 6015 N N . LYS A 390 ? 0.4133 0.4633 0.3408 -0.0274 0.0902 -0.0822 402 LYS A N 6016 C CA . LYS A 390 ? 0.3929 0.4339 0.3345 -0.0078 0.0723 -0.0731 402 LYS A CA 6017 C C . LYS A 390 ? 0.3837 0.3866 0.3233 -0.0257 0.0589 -0.0736 402 LYS A C 6018 O O . LYS A 390 ? 0.3911 0.3812 0.3402 -0.0221 0.0566 -0.0685 402 LYS A O 6019 C CB . LYS A 390 ? 0.4076 0.4773 0.3551 -0.0048 0.0344 -0.0453 402 LYS A CB 6020 C CG . LYS A 390 ? 0.4264 0.5078 0.3907 0.0060 0.0209 -0.0470 402 LYS A CG 6021 C CD . LYS A 390 ? 0.4475 0.5334 0.3838 0.0202 0.0198 -0.0424 402 LYS A CD 6022 C CE . LYS A 390 ? 0.4661 0.5637 0.4133 0.0528 0.0407 -0.0507 402 LYS A CE 6023 N NZ . LYS A 390 ? 0.4766 0.5853 0.4368 0.0696 0.0587 -0.0564 402 LYS A NZ 6037 N N . TYR A 391 ? 0.3857 0.3555 0.2961 -0.0491 0.0468 -0.0696 403 TYR A N 6038 C CA . TYR A 391 ? 0.3809 0.3347 0.2906 -0.0331 0.0234 -0.0618 403 TYR A CA 6039 C C . TYR A 391 ? 0.3929 0.3273 0.3213 -0.0343 0.0203 -0.0498 403 TYR A C 6040 O O . TYR A 391 ? 0.3584 0.3093 0.3189 -0.0147 0.0356 -0.0047 403 TYR A O 6041 C CB . TYR A 391 ? 0.3905 0.3473 0.2704 -0.0163 0.0315 -0.0485 403 TYR A CB 6042 C CG . TYR A 391 ? 0.3824 0.3257 0.2868 -0.0153 0.0388 -0.0391 403 TYR A CG 6043 C CD1 . TYR A 391 ? 0.3700 0.3167 0.2627 -0.0208 0.0012 -0.0313 403 TYR A CD1 6044 C CD2 . TYR A 391 ? 0.3955 0.3051 0.2950 -0.0139 0.0504 -0.0225 403 TYR A CD2 6045 C CE1 . TYR A 391 ? 0.3664 0.2967 0.2667 -0.0471 0.0141 0.0040 403 TYR A CE1 6046 C CE2 . TYR A 391 ? 0.4056 0.3159 0.3000 -0.0300 0.0427 -0.0041 403 TYR A CE2 6047 C CZ . TYR A 391 ? 0.3783 0.3035 0.2856 -0.0318 0.0148 0.0070 403 TYR A CZ 6048 O OH . TYR A 391 ? 0.3699 0.3093 0.2920 -0.0242 0.0079 0.0005 403 TYR A OH 6058 N N . TYR A 392 ? 0.4011 0.3199 0.3167 -0.0390 0.0255 -0.0392 404 TYR A N 6059 C CA . TYR A 392 ? 0.3961 0.3293 0.3199 -0.0347 0.0417 -0.0394 404 TYR A CA 6060 C C . TYR A 392 ? 0.3997 0.3303 0.3163 -0.0326 0.0306 -0.0269 404 TYR A C 6061 O O . TYR A 392 ? 0.4090 0.3433 0.3207 -0.0415 0.0080 -0.0103 404 TYR A O 6062 C CB . TYR A 392 ? 0.4110 0.3311 0.3453 -0.0305 0.0303 -0.0321 404 TYR A CB 6063 C CG . TYR A 392 ? 0.3980 0.3315 0.3412 -0.0206 0.0192 -0.0227 404 TYR A CG 6064 C CD1 . TYR A 392 ? 0.4151 0.3254 0.3489 -0.0315 -0.0290 -0.0186 404 TYR A CD1 6065 C CD2 . TYR A 392 ? 0.3985 0.3506 0.3550 -0.0172 0.0257 0.0015 404 TYR A CD2 6066 C CE1 . TYR A 392 ? 0.3976 0.3223 0.3403 -0.0261 -0.0187 0.0304 404 TYR A CE1 6067 C CE2 . TYR A 392 ? 0.3968 0.3629 0.3500 -0.0131 0.0107 0.0154 404 TYR A CE2 6068 C CZ . TYR A 392 ? 0.3978 0.3636 0.3583 -0.0178 -0.0159 0.0179 404 TYR A CZ 6069 O OH . TYR A 392 ? 0.3838 0.3865 0.3654 0.0002 -0.0320 0.0369 404 TYR A OH 6079 N N . HIS A 393 ? 0.4195 0.3289 0.3334 -0.0410 0.0304 -0.0383 405 HIS A N 6080 C CA . HIS A 393 ? 0.4318 0.3209 0.3394 -0.0280 0.0436 -0.0676 405 HIS A CA 6081 C C . HIS A 393 ? 0.4292 0.3190 0.3285 -0.0129 0.0399 -0.0820 405 HIS A C 6082 O O . HIS A 393 ? 0.4551 0.3099 0.3283 0.0020 0.0246 -0.0793 405 HIS A O 6083 C CB . HIS A 393 ? 0.4494 0.3502 0.3622 -0.0447 0.0636 -0.0927 405 HIS A CB 6084 C CG . HIS A 393 ? 0.4882 0.3993 0.4034 -0.0672 0.0541 -0.1159 405 HIS A CG 6085 N ND1 . HIS A 393 ? 0.5096 0.4219 0.4173 -0.0722 0.0479 -0.1437 405 HIS A ND1 6086 C CD2 . HIS A 393 ? 0.5202 0.4136 0.4284 -0.0622 0.0487 -0.1402 405 HIS A CD2 6087 C CE1 . HIS A 393 ? 0.5208 0.4143 0.4414 -0.0700 0.0563 -0.1374 405 HIS A CE1 6088 N NE2 . HIS A 393 ? 0.5524 0.4205 0.4585 -0.0659 0.0594 -0.1296 405 HIS A NE2 6096 N N . TYR A 394 ? 0.4104 0.3311 0.3029 -0.0308 0.0467 -0.0998 406 TYR A N 6097 C CA . TYR A 394 ? 0.3813 0.3338 0.2774 -0.0343 0.0399 -0.0686 406 TYR A CA 6098 C C . TYR A 394 ? 0.3736 0.3138 0.2713 -0.0303 0.0547 -0.0705 406 TYR A C 6099 O O . TYR A 394 ? 0.3462 0.3133 0.2751 -0.0333 0.0461 -0.0584 406 TYR A O 6100 C CB . TYR A 394 ? 0.3776 0.3466 0.3075 -0.0347 0.0261 -0.0831 406 TYR A CB 6101 C CG . TYR A 394 ? 0.3795 0.3791 0.3379 -0.0149 0.0215 -0.0592 406 TYR A CG 6102 C CD1 . TYR A 394 ? 0.3797 0.3818 0.3793 -0.0062 0.0429 -0.0611 406 TYR A CD1 6103 C CD2 . TYR A 394 ? 0.3823 0.3821 0.3661 -0.0374 0.0225 -0.0526 406 TYR A CD2 6104 C CE1 . TYR A 394 ? 0.3985 0.3799 0.3840 -0.0163 0.0651 -0.0689 406 TYR A CE1 6105 C CE2 . TYR A 394 ? 0.3833 0.3873 0.3707 -0.0316 0.0418 -0.0509 406 TYR A CE2 6106 C CZ . TYR A 394 ? 0.3805 0.3987 0.3936 -0.0105 0.0861 -0.0615 406 TYR A CZ 6107 O OH . TYR A 394 ? 0.3815 0.4592 0.4369 -0.0015 0.0875 -0.0675 406 TYR A OH 6117 N N . TYR A 395 ? 0.3924 0.3357 0.2928 -0.0278 0.0555 -0.0602 407 TYR A N 6118 C CA . TYR A 395 ? 0.3567 0.3090 0.3043 -0.0504 0.0289 -0.0211 407 TYR A CA 6119 C C . TYR A 395 ? 0.3666 0.2901 0.3085 -0.0346 -0.0090 -0.0181 407 TYR A C 6120 O O . TYR A 395 ? 0.3644 0.2804 0.2955 -0.0033 -0.0279 -0.0117 407 TYR A O 6121 C CB . TYR A 395 ? 0.3355 0.2801 0.2832 -0.0528 0.0435 -0.0047 407 TYR A CB 6122 C CG . TYR A 395 ? 0.3366 0.2741 0.2922 -0.0467 0.0314 0.0011 407 TYR A CG 6123 C CD1 . TYR A 395 ? 0.3413 0.2517 0.2955 -0.0273 0.0324 -0.0397 407 TYR A CD1 6124 C CD2 . TYR A 395 ? 0.3575 0.2800 0.3126 -0.0444 0.0269 0.0288 407 TYR A CD2 6125 C CE1 . TYR A 395 ? 0.3371 0.2744 0.3191 -0.0239 0.0161 -0.0127 407 TYR A CE1 6126 C CE2 . TYR A 395 ? 0.3642 0.3104 0.3164 -0.0378 0.0121 0.0380 407 TYR A CE2 6127 C CZ . TYR A 395 ? 0.3678 0.2905 0.3039 -0.0188 0.0042 -0.0068 407 TYR A CZ 6128 O OH . TYR A 395 ? 0.3981 0.3065 0.2807 -0.0078 -0.0080 -0.0026 407 TYR A OH 6138 N N . PHE A 396 ? 0.3716 0.2707 0.3070 -0.0329 0.0036 -0.0466 408 PHE A N 6139 C CA . PHE A 396 ? 0.3840 0.2947 0.2935 -0.0254 -0.0065 -0.0283 408 PHE A CA 6140 C C . PHE A 396 ? 0.3946 0.3136 0.2851 -0.0371 0.0043 -0.0328 408 PHE A C 6141 O O . PHE A 396 ? 0.3794 0.3060 0.2854 -0.0585 0.0053 -0.0220 408 PHE A O 6142 C CB . PHE A 396 ? 0.4106 0.3022 0.2889 -0.0367 -0.0118 -0.0429 408 PHE A CB 6143 C CG . PHE A 396 ? 0.4237 0.2962 0.2969 -0.0148 -0.0088 -0.0219 408 PHE A CG 6144 C CD1 . PHE A 396 ? 0.4362 0.2917 0.3000 -0.0189 -0.0402 -0.0524 408 PHE A CD1 6145 C CD2 . PHE A 396 ? 0.4381 0.2976 0.3155 0.0060 0.0021 -0.0271 408 PHE A CD2 6146 C CE1 . PHE A 396 ? 0.4392 0.3108 0.3113 -0.0186 -0.0454 -0.0476 408 PHE A CE1 6147 C CE2 . PHE A 396 ? 0.4536 0.3194 0.3309 -0.0014 -0.0056 -0.0144 408 PHE A CE2 6148 C CZ . PHE A 396 ? 0.4550 0.3215 0.3300 -0.0038 -0.0303 -0.0366 408 PHE A CZ 6158 N N . VAL A 397 ? 0.3787 0.3145 0.2878 -0.0059 0.0077 -0.0213 409 VAL A N 6159 C CA . VAL A 397 ? 0.3695 0.2865 0.2595 -0.0261 0.0247 -0.0237 409 VAL A CA 6160 C C . VAL A 397 ? 0.3838 0.3120 0.2733 -0.0460 0.0252 -0.0466 409 VAL A C 6161 O O . VAL A 397 ? 0.4015 0.3180 0.2702 -0.0460 0.0125 -0.0562 409 VAL A O 6162 C CB . VAL A 397 ? 0.3674 0.2623 0.2797 -0.0034 0.0453 -0.0317 409 VAL A CB 6163 C CG1 . VAL A 397 ? 0.3821 0.2274 0.2917 -0.0113 0.0492 -0.0688 409 VAL A CG1 6164 C CG2 . VAL A 397 ? 0.3587 0.3046 0.3014 -0.0268 0.0517 -0.0241 409 VAL A CG2 6174 N N . SER A 398 ? 0.4034 0.3327 0.2616 -0.0464 0.0302 -0.0633 410 SER A N 6175 C CA . SER A 398 ? 0.4112 0.3497 0.2700 -0.0212 0.0279 -0.0888 410 SER A CA 6176 C C . SER A 398 ? 0.4031 0.3442 0.2832 -0.0346 0.0324 -0.0770 410 SER A C 6177 O O . SER A 398 ? 0.4057 0.3476 0.3142 -0.0043 0.0319 -0.0761 410 SER A O 6178 C CB . SER A 398 ? 0.4083 0.3642 0.2860 -0.0264 0.0297 -0.1038 410 SER A CB 6179 O OG . SER A 398 ? 0.3927 0.3676 0.3119 -0.0472 0.0321 -0.0995 410 SER A OG 6185 N N . TYR A 399 ? 0.4109 0.3667 0.2695 -0.0474 0.0295 -0.0577 411 TYR A N 6186 C CA . TYR A 399 ? 0.4579 0.3779 0.2631 -0.0523 0.0263 -0.0600 411 TYR A CA 6187 C C . TYR A 399 ? 0.4989 0.4029 0.2879 -0.0646 0.0312 -0.0597 411 TYR A C 6188 O O . TYR A 399 ? 0.5140 0.4013 0.3003 -0.0775 0.0385 -0.0741 411 TYR A O 6189 C CB . TYR A 399 ? 0.4577 0.3760 0.2484 -0.0447 0.0086 -0.0553 411 TYR A CB 6190 C CG . TYR A 399 ? 0.4793 0.3699 0.2521 -0.0257 0.0011 -0.0590 411 TYR A CG 6191 C CD1 . TYR A 399 ? 0.4645 0.3754 0.2706 -0.0378 0.0097 -0.0469 411 TYR A CD1 6192 C CD2 . TYR A 399 ? 0.5052 0.3668 0.2227 -0.0272 -0.0068 -0.0231 411 TYR A CD2 6193 C CE1 . TYR A 399 ? 0.4883 0.3879 0.3192 -0.0200 0.0229 -0.0421 411 TYR A CE1 6194 C CE2 . TYR A 399 ? 0.4942 0.3693 0.2888 -0.0321 -0.0132 -0.0149 411 TYR A CE2 6195 C CZ . TYR A 399 ? 0.4912 0.4111 0.3105 -0.0164 -0.0160 -0.0309 411 TYR A CZ 6196 O OH . TYR A 399 ? 0.4948 0.4457 0.3305 -0.0126 -0.0384 -0.0126 411 TYR A OH 6206 N N . ASP A 400 ? 0.5476 0.4258 0.3103 -0.0579 0.0435 -0.0292 412 ASP A N 6207 C CA . ASP A 400 ? 0.5997 0.4660 0.3251 -0.0474 0.0492 -0.0174 412 ASP A CA 6208 C C . ASP A 400 ? 0.6193 0.4982 0.3352 -0.0383 0.0435 -0.0212 412 ASP A C 6209 O O . ASP A 400 ? 0.6010 0.4907 0.3392 -0.0308 0.0181 -0.0251 412 ASP A O 6210 C CB . ASP A 400 ? 0.6397 0.4857 0.3513 -0.0343 0.0713 -0.0168 412 ASP A CB 6211 C CG . ASP A 400 ? 0.6641 0.5175 0.3684 -0.0116 0.0956 -0.0095 412 ASP A CG 6212 O OD1 . ASP A 400 ? 0.6716 0.5298 0.3636 0.0028 0.1446 -0.0358 412 ASP A OD1 6213 O OD2 . ASP A 400 ? 0.6787 0.5341 0.3799 -0.0006 0.0673 0.0203 412 ASP A OD2 6218 N N . SER A 401 ? 0.6551 0.5238 0.3840 -0.0412 0.0665 -0.0294 413 SER A N 6219 C CA . SER A 401 ? 0.6944 0.5420 0.4267 -0.0535 0.0978 -0.0564 413 SER A CA 6220 C C . SER A 401 ? 0.7038 0.5391 0.4465 -0.0872 0.1196 -0.0750 413 SER A C 6221 O O . SER A 401 ? 0.7069 0.5568 0.5054 -0.1076 0.1409 -0.0510 413 SER A O 6222 C CB . SER A 401 ? 0.7112 0.5738 0.4546 -0.0380 0.1175 -0.0654 413 SER A CB 6223 O OG . SER A 401 ? 0.7294 0.5927 0.4902 -0.0343 0.1303 -0.0553 413 SER A OG 6229 N N . SER A 402 ? 0.7142 0.5162 0.4011 -0.0899 0.1179 -0.0857 414 SER A N 6230 C CA . SER A 402 ? 0.7284 0.5310 0.3993 -0.1015 0.0876 -0.0520 414 SER A CA 6231 C C . SER A 402 ? 0.7275 0.5176 0.3756 -0.1145 0.0799 -0.0396 414 SER A C 6232 O O . SER A 402 ? 0.7348 0.5278 0.3757 -0.1216 0.0538 -0.0444 414 SER A O 6233 C CB . SER A 402 ? 0.7447 0.5566 0.4309 -0.1224 0.0450 -0.0007 414 SER A CB 6234 O OG . SER A 402 ? 0.7734 0.5662 0.4602 -0.1366 0.0060 0.0259 414 SER A OG 6240 N N . ALA A 403 ? 0.7075 0.4930 0.3612 -0.1158 0.1016 -0.0376 415 ALA A N 6241 C CA . ALA A 403 ? 0.7033 0.4946 0.3724 -0.1047 0.0605 -0.0267 415 ALA A CA 6242 C C . ALA A 403 ? 0.6939 0.4976 0.3829 -0.1145 0.0394 -0.0202 415 ALA A C 6243 O O . ALA A 403 ? 0.7024 0.5037 0.4266 -0.1057 0.0440 -0.0146 415 ALA A O 6244 C CB . ALA A 403 ? 0.7089 0.5031 0.4038 -0.0908 0.0517 -0.0418 415 ALA A CB 6250 N N . THR A 404 ? 0.6840 0.4963 0.3746 -0.1308 0.0252 -0.0364 416 THR A N 6251 C CA . THR A 404 ? 0.6925 0.4940 0.3680 -0.1246 0.0201 -0.0287 416 THR A CA 6252 C C . THR A 404 ? 0.6717 0.4787 0.3311 -0.1092 0.0055 -0.0098 416 THR A C 6253 O O . THR A 404 ? 0.6603 0.4706 0.3345 -0.0676 -0.0062 -0.0104 416 THR A O 6254 C CB . THR A 404 ? 0.7118 0.5171 0.4014 -0.1217 0.0287 -0.0226 416 THR A CB 6255 O OG1 . THR A 404 ? 0.7411 0.5501 0.4212 -0.1057 0.0296 -0.0225 416 THR A OG1 6256 C CG2 . THR A 404 ? 0.7033 0.5085 0.4330 -0.1344 0.0424 -0.0107 416 THR A CG2 6264 N N . CYS A 405 ? 0.6642 0.4723 0.3283 -0.1173 0.0164 0.0202 417 CYS A N 6265 C CA . CYS A 405 ? 0.6411 0.4601 0.3208 -0.1146 0.0225 0.0104 417 CYS A CA 6266 C C . CYS A 405 ? 0.6502 0.4608 0.3425 -0.1126 0.0465 -0.0261 417 CYS A C 6267 O O . CYS A 405 ? 0.6606 0.4668 0.3806 -0.0921 0.0758 -0.0473 417 CYS A O 6268 C CB . CYS A 405 ? 0.6169 0.4606 0.3269 -0.1228 0.0371 0.0237 417 CYS A CB 6269 S SG . CYS A 405 ? 0.6045 0.4813 0.3610 -0.1087 0.0127 0.0106 417 CYS A SG 6274 N N . ASP A 406 ? 0.6495 0.4595 0.3275 -0.1282 0.0350 -0.0098 418 ASP A N 6275 C CA . ASP A 406 ? 0.6602 0.4823 0.3528 -0.1135 0.0256 0.0114 418 ASP A CA 6276 C C . ASP A 406 ? 0.6416 0.4687 0.3535 -0.1328 0.0207 0.0417 418 ASP A C 6277 O O . ASP A 406 ? 0.6190 0.4873 0.3546 -0.1103 0.0049 0.0455 418 ASP A O 6278 C CB . ASP A 406 ? 0.6788 0.5203 0.3620 -0.0785 0.0072 0.0090 418 ASP A CB 6279 C CG . ASP A 406 ? 0.6923 0.5480 0.3471 -0.0513 -0.0017 0.0309 418 ASP A CG 6280 O OD1 . ASP A 406 ? 0.7010 0.5411 0.3358 -0.0510 0.0220 0.0403 418 ASP A OD1 6281 O OD2 . ASP A 406 ? 0.7045 0.5814 0.3409 -0.0278 -0.0332 0.0467 418 ASP A OD2 6286 N N . GLN A 407 ? 0.6708 0.4659 0.3763 -0.1499 0.0352 0.0702 419 GLN A N 6287 C CA . GLN A 407 ? 0.6816 0.4610 0.3988 -0.1755 0.0701 0.0676 419 GLN A CA 6288 C C . GLN A 407 ? 0.6729 0.4387 0.3966 -0.1723 0.0503 0.0755 419 GLN A C 6289 O O . GLN A 407 ? 0.6788 0.4399 0.3881 -0.1694 0.0513 0.0823 419 GLN A O 6290 C CB . GLN A 407 ? 0.7172 0.4878 0.4780 -0.1841 0.1019 0.0613 419 GLN A CB 6291 C CG . GLN A 407 ? 0.7619 0.5442 0.5482 -0.1617 0.1263 0.0530 419 GLN A CG 6292 C CD . GLN A 407 ? 0.8127 0.5934 0.6213 -0.1415 0.1157 0.0253 419 GLN A CD 6293 O OE1 . GLN A 407 ? 0.8261 0.6367 0.6326 -0.1364 0.1332 0.0174 419 GLN A OE1 6294 N NE2 . GLN A 407 ? 0.8327 0.5814 0.6654 -0.1307 0.0954 0.0014 419 GLN A NE2 6303 N N . HIS A 408 ? 0.6573 0.4175 0.3993 -0.1529 0.0309 0.0728 420 HIS A N 6304 C CA . HIS A 408 ? 0.6537 0.4272 0.3953 -0.1278 0.0222 0.0678 420 HIS A CA 6305 C C . HIS A 408 ? 0.6091 0.3900 0.3458 -0.1298 0.0153 0.0315 420 HIS A C 6306 O O . HIS A 408 ? 0.6024 0.3739 0.3379 -0.1169 0.0252 -0.0069 420 HIS A O 6307 C CB . HIS A 408 ? 0.6927 0.4671 0.4280 -0.1001 0.0063 0.0931 420 HIS A CB 6308 C CG . HIS A 408 ? 0.7311 0.4950 0.4777 -0.0881 0.0105 0.0810 420 HIS A CG 6309 N ND1 . HIS A 408 ? 0.7509 0.5295 0.5266 -0.0951 0.0040 0.0616 420 HIS A ND1 6310 C CD2 . HIS A 408 ? 0.7405 0.5152 0.4829 -0.0728 0.0187 0.0745 420 HIS A CD2 6311 C CE1 . HIS A 408 ? 0.7404 0.5228 0.5153 -0.0980 0.0336 0.0761 420 HIS A CE1 6312 N NE2 . HIS A 408 ? 0.7460 0.5290 0.5006 -0.0732 0.0254 0.0913 420 HIS A NE2 6320 N N . CYS A 409 ? 0.5890 0.3817 0.3211 -0.1386 0.0015 0.0293 421 CYS A N 6321 C CA . CYS A 409 ? 0.5782 0.4052 0.2861 -0.1231 0.0048 0.0323 421 CYS A CA 6322 C C . CYS A 409 ? 0.5476 0.3927 0.2803 -0.0992 0.0165 0.0181 421 CYS A C 6323 O O . CYS A 409 ? 0.5223 0.3958 0.2813 -0.0811 0.0059 0.0216 421 CYS A O 6324 C CB . CYS A 409 ? 0.6081 0.4457 0.3015 -0.1241 0.0058 0.0380 421 CYS A CB 6325 S SG . CYS A 409 ? 0.6181 0.4930 0.3556 -0.1284 0.0179 0.0215 421 CYS A SG 6330 N N . LYS A 410 ? 0.5269 0.3697 0.2648 -0.1257 0.0243 -0.0009 422 LYS A N 6331 C CA . LYS A 410 ? 0.5250 0.3677 0.2770 -0.1031 0.0464 -0.0235 422 LYS A CA 6332 C C . LYS A 410 ? 0.5234 0.3544 0.2855 -0.1107 0.0602 -0.0088 422 LYS A C 6333 O O . LYS A 410 ? 0.5189 0.3348 0.2831 -0.1055 0.0629 -0.0016 422 LYS A O 6334 C CB . LYS A 410 ? 0.5333 0.3722 0.2597 -0.0896 0.0355 -0.0336 422 LYS A CB 6335 C CG . LYS A 410 ? 0.5430 0.3923 0.2727 -0.0613 0.0558 -0.0436 422 LYS A CG 6336 C CD . LYS A 410 ? 0.5391 0.4270 0.2770 -0.0706 0.0928 -0.0368 422 LYS A CD 6337 C CE . LYS A 410 ? 0.5483 0.4707 0.3334 -0.0768 0.1018 -0.0329 422 LYS A CE 6338 N NZ . LYS A 410 ? 0.5507 0.5063 0.3474 -0.0967 0.0922 -0.0186 422 LYS A NZ 6352 N N . THR A 411 ? 0.5412 0.3649 0.2842 -0.0924 0.0628 -0.0470 423 THR A N 6353 C CA . THR A 411 ? 0.5500 0.3673 0.3112 -0.1043 0.0455 -0.0089 423 THR A CA 6354 C C . THR A 411 ? 0.5355 0.3747 0.3094 -0.0924 0.0345 0.0080 423 THR A C 6355 O O . THR A 411 ? 0.5440 0.3859 0.3283 -0.1024 0.0306 0.0307 423 THR A O 6356 C CB . THR A 411 ? 0.5512 0.3459 0.3128 -0.0946 0.0609 0.0064 423 THR A CB 6357 O OG1 . THR A 411 ? 0.5671 0.3603 0.3582 -0.1083 0.0707 0.0106 423 THR A OG1 6358 C CG2 . THR A 411 ? 0.5521 0.3279 0.3260 -0.0847 0.0517 -0.0003 423 THR A CG2 6366 N N . LEU A 412 ? 0.5180 0.3677 0.3091 -0.0723 0.0148 0.0152 424 LEU A N 6367 C CA . LEU A 412 ? 0.5026 0.3497 0.3037 -0.0572 0.0124 0.0149 424 LEU A CA 6368 C C . LEU A 412 ? 0.4889 0.3257 0.3094 -0.0645 0.0139 0.0052 424 LEU A C 6369 O O . LEU A 412 ? 0.4860 0.3275 0.2968 -0.0790 0.0117 0.0022 424 LEU A O 6370 C CB . LEU A 412 ? 0.5068 0.3715 0.3253 -0.0618 0.0043 -0.0095 424 LEU A CB 6371 C CG . LEU A 412 ? 0.5224 0.4163 0.3412 -0.0338 -0.0204 0.0177 424 LEU A CG 6372 C CD1 . LEU A 412 ? 0.5281 0.4214 0.3511 -0.0251 -0.0344 0.0140 424 LEU A CD1 6373 C CD2 . LEU A 412 ? 0.5432 0.4467 0.3344 -0.0233 -0.0422 0.0329 424 LEU A CD2 6385 N N . GLN A 413 ? 0.4644 0.3276 0.3037 -0.0598 0.0362 0.0149 425 GLN A N 6386 C CA . GLN A 413 ? 0.4216 0.3160 0.2883 -0.0816 0.0284 -0.0022 425 GLN A CA 6387 C C . GLN A 413 ? 0.4056 0.3361 0.2730 -0.0902 0.0310 0.0099 425 GLN A C 6388 O O . GLN A 413 ? 0.3913 0.3527 0.2589 -0.0825 0.0247 -0.0006 425 GLN A O 6389 C CB . GLN A 413 ? 0.4125 0.3317 0.2876 -0.0799 0.0459 -0.0193 425 GLN A CB 6390 C CG . GLN A 413 ? 0.4264 0.3495 0.3002 -0.0765 0.0365 -0.0132 425 GLN A CG 6391 C CD . GLN A 413 ? 0.4333 0.3577 0.3019 -0.0889 0.0585 -0.0271 425 GLN A CD 6392 O OE1 . GLN A 413 ? 0.4370 0.3468 0.3099 -0.0674 0.0486 -0.0306 425 GLN A OE1 6393 N NE2 . GLN A 413 ? 0.4439 0.3528 0.3008 -0.1304 0.0562 -0.0276 425 GLN A NE2 6402 N N . VAL A 414 ? 0.4199 0.3518 0.2986 -0.0863 0.0507 0.0013 426 VAL A N 6403 C CA . VAL A 414 ? 0.4137 0.3436 0.2878 -0.1047 0.0135 -0.0340 426 VAL A CA 6404 C C . VAL A 414 ? 0.4173 0.3398 0.2802 -0.0882 -0.0118 -0.0328 426 VAL A C 6405 O O . VAL A 414 ? 0.4469 0.3472 0.3021 -0.0702 -0.0030 -0.0214 426 VAL A O 6406 C CB . VAL A 414 ? 0.4577 0.3832 0.3339 -0.0986 0.0066 -0.0537 426 VAL A CB 6407 C CG1 . VAL A 414 ? 0.4616 0.3779 0.3679 -0.1203 0.0120 -0.0605 426 VAL A CG1 6408 C CG2 . VAL A 414 ? 0.4819 0.3984 0.3903 -0.0919 0.0314 -0.0418 426 VAL A CG2 6418 N N . CYS A 415 ? 0.4274 0.3142 0.3145 -0.1054 0.0219 -0.0484 427 CYS A N 6419 C CA A CYS A 415 ? 0.4256 0.3311 0.3095 -0.0856 0.0635 -0.0217 427 CYS A CA 6420 C CA B CYS A 415 ? 0.4252 0.3249 0.3124 -0.0849 0.0400 -0.0351 427 CYS A CA 6421 C C . CYS A 415 ? 0.4093 0.3227 0.3219 -0.0718 0.0429 -0.0382 427 CYS A C 6422 O O . CYS A 415 ? 0.4087 0.3150 0.3239 -0.0455 0.0291 -0.0279 427 CYS A O 6423 C CB A CYS A 415 ? 0.4523 0.3483 0.3286 -0.0920 0.0783 -0.0045 427 CYS A CB 6424 C CB B CYS A 415 ? 0.4443 0.3381 0.3136 -0.0860 0.0369 -0.0196 427 CYS A CB 6425 S SG A CYS A 415 ? 0.4874 0.3625 0.3870 -0.0972 0.0605 0.0009 427 CYS A SG 6426 S SG B CYS A 415 ? 0.4616 0.3477 0.3193 -0.0864 0.0260 -0.0084 427 CYS A SG 6434 N N . ALA A 416 ? 0.4105 0.3260 0.3224 -0.0527 0.0268 -0.0261 428 ALA A N 6435 C CA . ALA A 416 ? 0.3951 0.3260 0.2931 -0.0691 0.0320 -0.0085 428 ALA A CA 6436 C C . ALA A 416 ? 0.3787 0.3393 0.2996 -0.0770 0.0222 -0.0150 428 ALA A C 6437 O O . ALA A 416 ? 0.3638 0.3226 0.2912 -0.0790 0.0281 -0.0280 428 ALA A O 6438 C CB . ALA A 416 ? 0.4240 0.3498 0.2673 -0.0587 0.0201 -0.0233 428 ALA A CB 6444 N N . ILE A 417 ? 0.3565 0.3375 0.2977 -0.0617 0.0054 -0.0161 429 ILE A N 6445 C CA . ILE A 417 ? 0.3643 0.3353 0.3028 -0.0690 0.0065 -0.0139 429 ILE A CA 6446 C C . ILE A 417 ? 0.3643 0.3330 0.3175 -0.0852 -0.0137 -0.0095 429 ILE A C 6447 O O . ILE A 417 ? 0.3737 0.3316 0.3204 -0.0689 0.0024 -0.0177 429 ILE A O 6448 C CB . ILE A 417 ? 0.3433 0.3458 0.3139 -0.0723 0.0080 -0.0097 429 ILE A CB 6449 C CG1 . ILE A 417 ? 0.3514 0.3703 0.3364 -0.0794 0.0224 -0.0279 429 ILE A CG1 6450 C CG2 . ILE A 417 ? 0.3266 0.3435 0.3290 -0.0778 0.0097 0.0035 429 ILE A CG2 6451 C CD1 . ILE A 417 ? 0.3598 0.3902 0.3498 -0.0711 0.0276 -0.0377 429 ILE A CD1 6463 N N . MET A 418 ? 0.3850 0.3176 0.3202 -0.0938 -0.0147 0.0026 430 MET A N 6464 C CA . MET A 418 ? 0.3948 0.3446 0.3430 -0.1097 -0.0004 -0.0016 430 MET A CA 6465 C C . MET A 418 ? 0.4128 0.3465 0.3394 -0.0956 -0.0077 -0.0146 430 MET A C 6466 O O . MET A 418 ? 0.4429 0.3454 0.3283 -0.0855 -0.0151 -0.0249 430 MET A O 6467 C CB . MET A 418 ? 0.4167 0.3942 0.3865 -0.1049 0.0002 -0.0023 430 MET A CB 6468 C CG . MET A 418 ? 0.4680 0.4563 0.4261 -0.0733 0.0117 -0.0288 430 MET A CG 6469 S SD . MET A 418 ? 0.5479 0.5391 0.5269 -0.0323 0.0137 -0.0598 430 MET A SD 6470 C CE . MET A 418 ? 0.5839 0.5590 0.5891 -0.0288 -0.0071 -0.0567 430 MET A CE 6480 N N . ASN A 419 ? 0.4202 0.3207 0.3308 -0.0771 -0.0144 -0.0046 431 ASN A N 6481 C CA . ASN A 419 ? 0.4326 0.3453 0.3413 -0.0772 0.0053 -0.0196 431 ASN A CA 6482 C C . ASN A 419 ? 0.4099 0.3342 0.3088 -0.0675 0.0053 -0.0172 431 ASN A C 6483 O O . ASN A 419 ? 0.4082 0.3653 0.2897 -0.0450 0.0094 0.0098 431 ASN A O 6484 C CB . ASN A 419 ? 0.4496 0.3385 0.3235 -0.0803 0.0047 -0.0110 431 ASN A CB 6485 C CG . ASN A 419 ? 0.4675 0.3760 0.3432 -0.0849 0.0034 -0.0334 431 ASN A CG 6486 O OD1 . ASN A 419 ? 0.4853 0.3868 0.3844 -0.1212 0.0416 -0.0448 431 ASN A OD1 6487 N ND2 . ASN A 419 ? 0.4570 0.3828 0.3263 -0.0802 0.0009 -0.0400 431 ASN A ND2 6494 N N . LEU A 420 ? 0.4001 0.3224 0.3024 -0.0659 -0.0050 -0.0244 432 LEU A N 6495 C CA . LEU A 420 ? 0.4201 0.2963 0.3105 -0.0602 0.0092 -0.0171 432 LEU A CA 6496 C C . LEU A 420 ? 0.4287 0.2711 0.3086 -0.0504 -0.0043 -0.0216 432 LEU A C 6497 O O . LEU A 420 ? 0.4188 0.2671 0.2906 -0.0614 -0.0149 -0.0044 432 LEU A O 6498 C CB . LEU A 420 ? 0.4268 0.2828 0.3208 -0.0601 0.0193 -0.0236 432 LEU A CB 6499 C CG . LEU A 420 ? 0.4313 0.2738 0.3434 -0.0382 0.0425 -0.0085 432 LEU A CG 6500 C CD1 . LEU A 420 ? 0.4413 0.3123 0.3626 -0.0239 0.0408 -0.0131 432 LEU A CD1 6501 C CD2 . LEU A 420 ? 0.4402 0.2419 0.3412 -0.0440 0.0383 -0.0270 432 LEU A CD2 6513 N N . ASP A 421 ? 0.4678 0.2649 0.2989 -0.0372 -0.0022 -0.0329 433 ASP A N 6514 C CA . ASP A 421 ? 0.4961 0.2837 0.3168 -0.0350 -0.0035 -0.0217 433 ASP A CA 6515 C C . ASP A 421 ? 0.4821 0.2721 0.3214 -0.0286 0.0219 -0.0228 433 ASP A C 6516 O O . ASP A 421 ? 0.4790 0.2748 0.3074 -0.0524 0.0132 -0.0320 433 ASP A O 6517 C CB . ASP A 421 ? 0.5288 0.3103 0.3646 -0.0412 -0.0311 -0.0214 433 ASP A CB 6518 C CG . ASP A 421 ? 0.5674 0.3388 0.4106 -0.0381 -0.0514 -0.0291 433 ASP A CG 6519 O OD1 . ASP A 421 ? 0.5809 0.3709 0.3816 -0.0222 -0.0388 -0.0373 433 ASP A OD1 6520 O OD2 . ASP A 421 ? 0.5872 0.3440 0.4617 -0.0494 -0.0323 -0.0154 433 ASP A OD2 6525 N N . SER A 422 ? 0.4865 0.2702 0.3471 -0.0253 0.0241 -0.0312 434 SER A N 6526 C CA . SER A 422 ? 0.4927 0.2870 0.3778 -0.0322 0.0364 -0.0034 434 SER A CA 6527 C C . SER A 422 ? 0.5029 0.2638 0.3972 -0.0420 0.0248 -0.0001 434 SER A C 6528 O O . SER A 422 ? 0.4843 0.2643 0.3977 -0.0480 0.0265 0.0125 434 SER A O 6529 C CB . SER A 422 ? 0.4946 0.3199 0.4062 -0.0068 0.0269 0.0001 434 SER A CB 6530 O OG . SER A 422 ? 0.5090 0.3537 0.4530 0.0133 0.0072 -0.0172 434 SER A OG 6536 N N . MET A 423 ? 0.5234 0.2811 0.3617 -0.0590 0.0116 -0.0095 435 MET A N 6537 C CA . MET A 423 ? 0.5563 0.3313 0.3635 -0.0881 -0.0140 -0.0475 435 MET A CA 6538 C C . MET A 423 ? 0.5317 0.3322 0.3527 -0.0865 -0.0012 -0.0271 435 MET A C 6539 O O . MET A 423 ? 0.5135 0.3312 0.3353 -0.0698 -0.0083 -0.0267 435 MET A O 6540 C CB . MET A 423 ? 0.6300 0.4092 0.4123 -0.0956 -0.0342 -0.0690 435 MET A CB 6541 C CG . MET A 423 ? 0.7118 0.5116 0.4888 -0.0904 -0.0272 -0.0755 435 MET A CG 6542 S SD . MET A 423 ? 0.7748 0.5815 0.5833 -0.1077 -0.0116 -0.0581 435 MET A SD 6543 C CE . MET A 423 ? 0.7794 0.5945 0.5972 -0.1006 0.0033 -0.0612 435 MET A CE 6553 N N . SER A 424 ? 0.5332 0.3544 0.3496 -0.0833 0.0044 -0.0363 436 SER A N 6554 C CA . SER A 424 ? 0.5439 0.3632 0.3061 -0.0565 -0.0020 -0.0415 436 SER A CA 6555 C C . SER A 424 ? 0.5091 0.3395 0.3116 -0.0783 -0.0229 -0.0081 436 SER A C 6556 O O . SER A 424 ? 0.4843 0.3411 0.3405 -0.0705 -0.0196 0.0019 436 SER A O 6557 C CB . SER A 424 ? 0.5699 0.4187 0.3150 -0.0246 -0.0434 -0.0652 436 SER A CB 6558 O OG . SER A 424 ? 0.5995 0.4510 0.4061 -0.0507 -0.0441 -0.0717 436 SER A OG 6564 N N . TYR A 425 ? 0.5091 0.3136 0.3135 -0.0924 0.0094 0.0061 437 TYR A N 6565 C CA . TYR A 425 ? 0.4973 0.2962 0.3044 -0.0928 0.0103 0.0262 437 TYR A CA 6566 C C . TYR A 425 ? 0.5213 0.2959 0.3155 -0.0748 0.0296 0.0042 437 TYR A C 6567 O O . TYR A 425 ? 0.5310 0.3162 0.3343 -0.0899 0.0014 0.0326 437 TYR A O 6568 C CB . TYR A 425 ? 0.4739 0.3263 0.3123 -0.0655 0.0037 0.0314 437 TYR A CB 6569 C CG . TYR A 425 ? 0.4599 0.3322 0.3401 -0.0640 -0.0103 0.0208 437 TYR A CG 6570 C CD1 . TYR A 425 ? 0.4383 0.3165 0.3376 -0.0544 -0.0341 0.0432 437 TYR A CD1 6571 C CD2 . TYR A 425 ? 0.4385 0.3211 0.3294 -0.0381 -0.0029 0.0161 437 TYR A CD2 6572 C CE1 . TYR A 425 ? 0.4352 0.3372 0.3564 -0.0521 -0.0421 0.0096 437 TYR A CE1 6573 C CE2 . TYR A 425 ? 0.4167 0.3172 0.3229 -0.0570 0.0056 0.0179 437 TYR A CE2 6574 C CZ . TYR A 425 ? 0.4117 0.3254 0.3356 -0.0561 -0.0276 -0.0002 437 TYR A CZ 6575 O OH . TYR A 425 ? 0.4005 0.3342 0.3158 -0.0596 -0.0137 -0.0171 437 TYR A OH 6585 N N . ASP A 426 ? 0.5439 0.2837 0.3680 -0.1106 0.0080 -0.0149 438 ASP A N 6586 C CA . ASP A 426 ? 0.5694 0.2983 0.3827 -0.0868 -0.0026 0.0139 438 ASP A CA 6587 C C . ASP A 426 ? 0.5740 0.3241 0.3811 -0.0957 -0.0026 0.0271 438 ASP A C 6588 O O . ASP A 426 ? 0.6006 0.3221 0.3874 -0.0976 0.0072 0.0342 438 ASP A O 6589 C CB . ASP A 426 ? 0.5830 0.3343 0.4283 -0.0654 0.0157 0.0328 438 ASP A CB 6590 C CG . ASP A 426 ? 0.6102 0.3798 0.4831 -0.0608 0.0269 0.0264 438 ASP A CG 6591 O OD1 . ASP A 426 ? 0.6065 0.3924 0.4850 -0.1070 0.0113 0.0269 438 ASP A OD1 6592 O OD2 . ASP A 426 ? 0.6267 0.4261 0.5207 -0.0226 0.0443 0.0318 438 ASP A OD2 6597 N N . ASP A 427 ? 0.5786 0.3487 0.3980 -0.1192 -0.0046 0.0010 439 ASP A N 6598 C CA A ASP A 427 ? 0.5774 0.3539 0.4008 -0.1299 -0.0147 0.0282 439 ASP A CA 6599 C CA B ASP A 427 ? 0.5725 0.3557 0.4034 -0.1296 -0.0079 0.0328 439 ASP A CA 6600 C C . ASP A 427 ? 0.5623 0.3484 0.3958 -0.1407 -0.0052 0.0341 439 ASP A C 6601 O O . ASP A 427 ? 0.5594 0.3850 0.4167 -0.1370 0.0121 0.0439 439 ASP A O 6602 C CB A ASP A 427 ? 0.6007 0.3790 0.4177 -0.1196 -0.0459 0.0224 439 ASP A CB 6603 C CB B ASP A 427 ? 0.5899 0.3883 0.4321 -0.1154 -0.0271 0.0293 439 ASP A CB 6604 C CG A ASP A 427 ? 0.6268 0.4037 0.4396 -0.1044 -0.0696 0.0285 439 ASP A CG 6605 C CG B ASP A 427 ? 0.6136 0.4217 0.4703 -0.0938 -0.0357 0.0416 439 ASP A CG 6606 O OD1 A ASP A 427 ? 0.6332 0.4093 0.4392 -0.1082 -0.0864 0.0333 439 ASP A OD1 6607 O OD1 B ASP A 427 ? 0.6231 0.4412 0.4789 -0.0874 -0.0377 0.0237 439 ASP A OD1 6608 O OD2 A ASP A 427 ? 0.6412 0.4229 0.4587 -0.0910 -0.0752 0.0249 439 ASP A OD2 6609 O OD2 B ASP A 427 ? 0.6254 0.4340 0.4940 -0.0789 -0.0407 0.0616 439 ASP A OD2 6616 N N . CYS A 428 ? 0.5603 0.3326 0.3727 -0.1598 0.0039 0.0180 440 CYS A N 6617 C CA . CYS A 428 ? 0.5637 0.3365 0.3536 -0.1245 0.0296 0.0162 440 CYS A CA 6618 C C . CYS A 428 ? 0.5918 0.3486 0.3518 -0.1181 0.0280 0.0187 440 CYS A C 6619 O O . CYS A 428 ? 0.6200 0.3408 0.3654 -0.1040 0.0288 0.0227 440 CYS A O 6620 C CB . CYS A 428 ? 0.5430 0.3582 0.3685 -0.1225 0.0289 0.0015 440 CYS A CB 6621 S SG . CYS A 428 ? 0.5152 0.3786 0.3978 -0.1002 0.0286 -0.0252 440 CYS A SG 6626 N N . LEU A 429 ? 0.5819 0.3823 0.3476 -0.1331 0.0081 0.0130 441 LEU A N 6627 C CA . LEU A 429 ? 0.6112 0.4224 0.3635 -0.1522 0.0029 0.0293 441 LEU A CA 6628 C C . LEU A 429 ? 0.6450 0.4297 0.3616 -0.1819 0.0007 0.0431 441 LEU A C 6629 O O . LEU A 429 ? 0.6241 0.4508 0.3529 -0.1891 -0.0073 0.0692 441 LEU A O 6630 C CB . LEU A 429 ? 0.6112 0.4326 0.3829 -0.1460 -0.0343 0.0070 441 LEU A CB 6631 C CG . LEU A 429 ? 0.6142 0.4416 0.4039 -0.1295 -0.0535 0.0044 441 LEU A CG 6632 C CD1 . LEU A 429 ? 0.6226 0.4361 0.3922 -0.1021 -0.0578 0.0500 441 LEU A CD1 6633 C CD2 . LEU A 429 ? 0.6143 0.4496 0.4489 -0.1437 -0.0687 -0.0275 441 LEU A CD2 6645 N N . LYS A 430 ? 0.6867 0.4125 0.3945 -0.2136 0.0097 0.0598 442 LYS A N 6646 C CA . LYS A 430 ? 0.7134 0.4276 0.4543 -0.2317 0.0224 0.0812 442 LYS A CA 6647 C C . LYS A 430 ? 0.7268 0.4777 0.4658 -0.2186 0.0231 0.0638 442 LYS A C 6648 O O . LYS A 430 ? 0.7386 0.5051 0.4721 -0.2061 0.0170 0.0719 442 LYS A O 6649 C CB . LYS A 430 ? 0.7335 0.4079 0.4896 -0.2486 0.0194 0.0953 442 LYS A CB 6650 C CG . LYS A 430 ? 0.7757 0.4283 0.5480 -0.2187 -0.0032 0.0347 442 LYS A CG 6651 C CD . LYS A 430 ? 0.8117 0.4731 0.6252 -0.1760 -0.0261 0.0040 442 LYS A CD 6652 C CE . LYS A 430 ? 0.8413 0.5046 0.6672 -0.1446 -0.0442 -0.0248 442 LYS A CE 6653 N NZ . LYS A 430 ? 0.8629 0.5211 0.6832 -0.1194 -0.0483 -0.0424 442 LYS A NZ 6667 N N . GLN A 431 ? 0.7236 0.5164 0.4708 -0.2165 0.0155 0.0358 443 GLN A N 6668 C CA . GLN A 431 ? 0.7085 0.5672 0.4732 -0.2131 0.0158 0.0367 443 GLN A CA 6669 C C . GLN A 431 ? 0.7067 0.6263 0.4993 -0.1968 0.0307 0.0469 443 GLN A C 6670 O O . GLN A 431 ? 0.6921 0.6295 0.4952 -0.2207 0.0243 0.0648 443 GLN A O 6671 C CB . GLN A 431 ? 0.7115 0.5798 0.4585 -0.2089 0.0139 0.0495 443 GLN A CB 6672 C CG . GLN A 431 ? 0.7238 0.6082 0.4808 -0.1847 -0.0142 0.0562 443 GLN A CG 6673 C CD . GLN A 431 ? 0.7431 0.6532 0.5100 -0.1584 -0.0355 0.0381 443 GLN A CD 6674 O OE1 . GLN A 431 ? 0.7562 0.6773 0.5006 -0.1406 -0.0424 0.0162 443 GLN A OE1 6675 N NE2 . GLN A 431 ? 0.7486 0.6595 0.5229 -0.1565 -0.0372 0.0550 443 GLN A NE2 6684 N N . HIS A 432 ? 0.7100 0.6724 0.5273 -0.1630 0.0478 0.0522 444 HIS A N 6685 C CA . HIS A 432 ? 0.7267 0.7218 0.5835 -0.1279 0.0517 0.0566 444 HIS A CA 6686 C C . HIS A 432 ? 0.7373 0.7420 0.6382 -0.1190 0.0632 0.0553 444 HIS A C 6687 O O . HIS A 432 ? 0.7361 0.7433 0.6454 -0.1332 0.0827 0.0575 444 HIS A O 6688 C CB . HIS A 432 ? 0.7340 0.7421 0.5895 -0.1246 0.0490 0.0713 444 HIS A CB 6689 C CG . HIS A 432 ? 0.7467 0.7726 0.5979 -0.1135 0.0425 0.0758 444 HIS A CG 6690 N ND1 . HIS A 432 ? 0.7499 0.7825 0.5949 -0.1116 0.0466 0.0701 444 HIS A ND1 6691 C CD2 . HIS A 432 ? 0.7507 0.7886 0.6049 -0.1123 0.0402 0.0799 444 HIS A CD2 6692 C CE1 . HIS A 432 ? 0.7485 0.7908 0.5924 -0.1094 0.0391 0.0693 444 HIS A CE1 6693 N NE2 . HIS A 432 ? 0.7554 0.7960 0.6091 -0.1103 0.0301 0.0811 444 HIS A NE2 6701 N N . LEU A 433 ? 0.7489 0.7580 0.6759 -0.0958 0.0601 0.0621 445 LEU A N 6702 C CA . LEU A 433 ? 0.7655 0.7716 0.7103 -0.0765 0.0634 0.0761 445 LEU A CA 6703 C C . LEU A 433 ? 0.7693 0.7866 0.7239 -0.0804 0.0877 0.0830 445 LEU A C 6704 O O . LEU A 433 ? 0.7796 0.8002 0.7246 -0.0795 0.0979 0.0817 445 LEU A O 6705 C CB . LEU A 433 ? 0.7760 0.7689 0.7219 -0.0550 0.0433 0.0858 445 LEU A CB 6706 C CG . LEU A 433 ? 0.7896 0.7648 0.7279 -0.0401 0.0332 0.1064 445 LEU A CG 6707 C CD1 . LEU A 433 ? 0.7949 0.7614 0.7389 -0.0262 0.0231 0.1069 445 LEU A CD1 6708 C CD2 . LEU A 433 ? 0.7927 0.7591 0.7043 -0.0488 0.0394 0.1251 445 LEU A CD2 6720 ZN ZN . ZN B . ? 0.3794 0.2780 0.3160 -0.0123 -0.0179 -0.0136 501 ZN A ZN 6721 ZN ZN . ZN C . ? 0.4305 0.3560 0.3363 0.0334 -0.0187 0.0297 502 ZN A ZN 6722 C C1 . NAG D . ? 0.5888 0.5091 0.4402 -0.0767 0.0065 -0.1555 503 NAG A C1 6723 C C2 . NAG D . ? 0.6176 0.5293 0.4836 -0.0849 0.0127 -0.2001 503 NAG A C2 6724 C C3 . NAG D . ? 0.6801 0.5882 0.5884 -0.0758 0.0434 -0.2306 503 NAG A C3 6725 C C4 . NAG D . ? 0.7465 0.6912 0.6548 -0.0694 0.0572 -0.2210 503 NAG A C4 6726 C C5 . NAG D . ? 0.6939 0.6386 0.5584 -0.0639 0.0592 -0.1818 503 NAG A C5 6727 C C6 . NAG D . ? 0.7341 0.6454 0.5128 -0.0492 0.0610 -0.1888 503 NAG A C6 6728 C C7 . NAG D . ? 0.5833 0.5099 0.4614 -0.1013 -0.0174 -0.1704 503 NAG A C7 6729 C C8 . NAG D . ? 0.5970 0.4987 0.4732 -0.1091 -0.0429 -0.1870 503 NAG A C8 6730 N N2 . NAG D . ? 0.5933 0.5013 0.4923 -0.1025 -0.0080 -0.1914 503 NAG A N2 6731 O O3 . NAG D . ? 0.6749 0.5664 0.6149 -0.0919 0.0553 -0.2511 503 NAG A O3 6732 O O4 . NAG D . ? 0.8804 0.8656 0.8252 -0.0702 0.0724 -0.2282 503 NAG A O4 6733 O O5 . NAG D . ? 0.6167 0.5782 0.4934 -0.0889 0.0492 -0.1364 503 NAG A O5 6734 O O6 . NAG D . ? 0.7735 0.6452 0.5121 -0.0596 0.0466 -0.2061 503 NAG A O6 6735 O O7 . NAG D . ? 0.5537 0.5218 0.4485 -0.1073 0.0023 -0.1386 503 NAG A O7 6798 C C1 . NAG G . ? 0.6340 0.5997 0.4818 -0.0213 -0.1519 -0.1013 506 NAG A C1 6799 C C2 . NAG G . ? 0.6887 0.6335 0.5106 -0.0179 -0.1326 -0.1161 506 NAG A C2 6800 C C3 . NAG G . ? 0.7560 0.7030 0.5723 -0.0252 -0.1283 -0.1001 506 NAG A C3 6801 C C4 . NAG G . ? 0.8220 0.7954 0.6980 -0.0322 -0.1270 -0.0815 506 NAG A C4 6802 C C5 . NAG G . ? 0.7925 0.7777 0.6671 -0.0271 -0.1379 -0.0851 506 NAG A C5 6803 C C6 . NAG G . ? 0.8736 0.8608 0.7849 -0.0049 -0.1313 -0.0773 506 NAG A C6 6804 C C7 . NAG G . ? 0.7256 0.5915 0.5971 -0.0038 -0.0616 -0.1178 506 NAG A C7 6805 C C8 . NAG G . ? 0.7363 0.5736 0.6052 -0.0178 -0.0809 -0.1258 506 NAG A C8 6806 N N2 . NAG G . ? 0.6919 0.6041 0.5053 0.0099 -0.1029 -0.1475 506 NAG A N2 6807 O O3 . NAG G . ? 0.7629 0.6822 0.5479 -0.0234 -0.1126 -0.0878 506 NAG A O3 6808 O O4 . NAG G . ? 0.9214 0.9110 0.8610 -0.0362 -0.1246 -0.0727 506 NAG A O4 6809 O O5 . NAG G . ? 0.6902 0.6821 0.5551 -0.0289 -0.1510 -0.0897 506 NAG A O5 6810 O O6 . NAG G . ? 0.9624 0.9522 0.9176 0.0044 -0.1208 -0.0759 506 NAG A O6 6811 O O7 . NAG G . ? 0.7434 0.5925 0.6770 -0.0046 -0.0106 -0.0734 506 NAG A O7 6852 C C1 . NAG I . ? 0.5848 0.4014 0.3511 -0.1320 0.0765 -0.1021 508 NAG A C1 6853 C C2 . NAG I . ? 0.6038 0.4437 0.3690 -0.1435 0.0675 -0.1173 508 NAG A C2 6854 C C3 . NAG I . ? 0.6560 0.5188 0.4164 -0.1724 0.0641 -0.1219 508 NAG A C3 6855 C C4 . NAG I . ? 0.7150 0.5757 0.5148 -0.1891 0.0671 -0.1646 508 NAG A C4 6856 C C5 . NAG I . ? 0.6789 0.4912 0.4295 -0.1655 0.0721 -0.1506 508 NAG A C5 6857 C C6 . NAG I . ? 0.7053 0.4929 0.4736 -0.1610 0.0643 -0.1765 508 NAG A C6 6858 C C7 . NAG I . ? 0.5737 0.4175 0.3859 -0.1127 0.0592 -0.1266 508 NAG A C7 6859 C C8 . NAG I . ? 0.5659 0.3746 0.3589 -0.0974 0.0171 -0.1059 508 NAG A C8 6860 N N2 . NAG I . ? 0.5703 0.4301 0.3368 -0.1286 0.0711 -0.1085 508 NAG A N2 6861 O O3 . NAG I . ? 0.6698 0.5427 0.4088 -0.1694 0.0448 -0.1018 508 NAG A O3 6862 O O4 . NAG I . ? 0.8270 0.7465 0.6985 -0.2166 0.0823 -0.1892 508 NAG A O4 6863 O O5 . NAG I . ? 0.6221 0.4232 0.3898 -0.1575 0.0762 -0.1037 508 NAG A O5 6864 O O6 . NAG I . ? 0.7238 0.5181 0.5145 -0.1838 0.0669 -0.1800 508 NAG A O6 6865 O O7 . NAG I . ? 0.5729 0.4359 0.4394 -0.1178 0.0789 -0.1484 508 NAG A O7 6963 S S . SO4 M . ? 0.4378 0.4354 0.4286 -0.0516 0.0122 0.0099 512 SO4 A S 6964 O O1 . SO4 M . ? 0.4220 0.4322 0.4088 -0.0456 0.0156 0.0577 512 SO4 A O1 6965 O O2 . SO4 M . ? 0.4661 0.4715 0.4634 -0.0279 0.0497 -0.0189 512 SO4 A O2 6966 O O3 . SO4 M . ? 0.4181 0.4059 0.4091 0.0235 -0.0025 0.0238 512 SO4 A O3 6967 O O4 . SO4 M . ? 0.4212 0.4095 0.3575 -0.0280 -0.0203 0.0018 512 SO4 A O4 6968 S S . SO4 N . ? 0.8431 0.6303 1.0076 0.0864 0.2372 -0.1107 513 SO4 A S 6969 O O1 . SO4 N . ? 0.8363 0.6183 0.9899 0.0999 0.2440 -0.1195 513 SO4 A O1 6970 O O2 . SO4 N . ? 0.8287 0.6183 1.0084 0.1009 0.2378 -0.1123 513 SO4 A O2 6971 O O3 . SO4 N . ? 0.8531 0.6402 1.0277 0.0705 0.2085 -0.1110 513 SO4 A O3 6972 O O4 . SO4 N . ? 0.8566 0.6474 1.0170 0.1018 0.2296 -0.1071 513 SO4 A O4 # 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 ASP 1 13 ? ? ? A . n A 1 2 ARG 2 14 ? ? ? A . n A 1 3 HIS 3 15 ? ? ? A . n A 1 4 HIS 4 16 ? ? ? A . n A 1 5 HIS 5 17 ? ? ? A . n A 1 6 HIS 6 18 ? ? ? A . n A 1 7 HIS 7 19 ? ? ? A . n A 1 8 HIS 8 20 20 HIS HIS A . n A 1 9 LYS 9 21 21 LYS LYS A . n A 1 10 LEU 10 22 22 LEU LEU A . n A 1 11 VAL 11 23 23 VAL VAL A . n A 1 12 PRO 12 24 24 PRO PRO A . n A 1 13 LEU 13 25 25 LEU LEU A . n A 1 14 ALA 14 26 26 ALA ALA A . n A 1 15 PRO 15 27 27 PRO PRO A . n A 1 16 ALA 16 28 28 ALA ALA A . n A 1 17 ASP 17 29 ? ? ? A . n A 1 18 ARG 18 30 ? ? ? A . n A 1 19 ALA 19 31 ? ? ? A . n A 1 20 PRO 20 32 32 PRO PRO A . n A 1 21 ALA 21 33 33 ALA ALA A . n A 1 22 VAL 22 34 34 VAL VAL A . n A 1 23 GLY 23 35 35 GLY GLY A . n A 1 24 GLN 24 36 36 GLN GLN A . n A 1 25 PHE 25 37 37 PHE PHE A . n A 1 26 TRP 26 38 38 TRP TRP A . n A 1 27 HIS 27 39 39 HIS HIS A . n A 1 28 VAL 28 40 40 VAL VAL A . n A 1 29 THR 29 41 41 THR THR A . n A 1 30 ASP 30 42 42 ASP ASP A . n A 1 31 LEU 31 43 43 LEU LEU A . n A 1 32 HIS 32 44 44 HIS HIS A . n A 1 33 LEU 33 45 45 LEU LEU A . n A 1 34 ASP 34 46 46 ASP ASP A . n A 1 35 PRO 35 47 47 PRO PRO A . n A 1 36 THR 36 48 48 THR THR A . n A 1 37 TYR 37 49 49 TYR TYR A . n A 1 38 HIS 38 50 50 HIS HIS A . n A 1 39 ILE 39 51 51 ILE ILE A . n A 1 40 THR 40 52 52 THR THR A . n A 1 41 ASP 41 53 53 ASP ASP A . n A 1 42 ASP 42 54 54 ASP ASP A . n A 1 43 ARG 43 55 55 ARG ARG A . n A 1 44 THR 44 56 56 THR THR A . n A 1 45 LYS 45 57 57 LYS LYS A . n A 1 46 VAL 46 58 58 VAL VAL A . n A 1 47 CYS 47 59 59 CYS CYS A . n A 1 48 ALA 48 60 60 ALA ALA A . n A 1 49 SER 49 61 61 SER SER A . n A 1 50 SER 50 62 62 SER SER A . n A 1 51 LYS 51 63 63 LYS LYS A . n A 1 52 GLY 52 64 64 GLY GLY A . n A 1 53 ALA 53 65 65 ALA ALA A . n A 1 54 ASN 54 66 66 ASN ASN A . n A 1 55 ALA 55 67 67 ALA ALA A . n A 1 56 SER 56 68 68 SER SER A . n A 1 57 ASN 57 69 69 ASN ASN A . n A 1 58 PRO 58 70 70 PRO PRO A . n A 1 59 GLY 59 71 71 GLY GLY A . n A 1 60 PRO 60 72 72 PRO PRO A . n A 1 61 PHE 61 73 73 PHE PHE A . n A 1 62 GLY 62 74 74 GLY GLY A . n A 1 63 ASP 63 75 75 ASP ASP A . n A 1 64 VAL 64 76 76 VAL VAL A . n A 1 65 LEU 65 77 77 LEU LEU A . n A 1 66 CYS 66 78 78 CYS CYS A . n A 1 67 ASP 67 79 79 ASP ASP A . n A 1 68 SER 68 80 80 SER SER A . n A 1 69 PRO 69 81 81 PRO PRO A . n A 1 70 TYR 70 82 82 TYR TYR A . n A 1 71 GLN 71 83 83 GLN GLN A . n A 1 72 LEU 72 84 84 LEU LEU A . n A 1 73 ILE 73 85 85 ILE ILE A . n A 1 74 LEU 74 86 86 LEU LEU A . n A 1 75 SER 75 87 87 SER SER A . n A 1 76 ALA 76 88 88 ALA ALA A . n A 1 77 PHE 77 89 89 PHE PHE A . n A 1 78 ASP 78 90 90 ASP ASP A . n A 1 79 PHE 79 91 91 PHE PHE A . n A 1 80 ILE 80 92 92 ILE ILE A . n A 1 81 LYS 81 93 93 LYS LYS A . n A 1 82 ASN 82 94 94 ASN ASN A . n A 1 83 SER 83 95 95 SER SER A . n A 1 84 GLY 84 96 96 GLY GLY A . n A 1 85 GLN 85 97 97 GLN GLN A . n A 1 86 GLU 86 98 98 GLU GLU A . n A 1 87 ALA 87 99 99 ALA ALA A . n A 1 88 SER 88 100 100 SER SER A . n A 1 89 PHE 89 101 101 PHE PHE A . n A 1 90 MET 90 102 102 MET MET A . n A 1 91 ILE 91 103 103 ILE ILE A . n A 1 92 TRP 92 104 104 TRP TRP A . n A 1 93 THR 93 105 105 THR THR A . n A 1 94 GLY 94 106 106 GLY GLY A . n A 1 95 ASP 95 107 107 ASP ASP A . n A 1 96 SER 96 108 108 SER SER A . n A 1 97 PRO 97 109 109 PRO PRO A . n A 1 98 PRO 98 110 110 PRO PRO A . n A 1 99 HIS 99 111 111 HIS HIS A . n A 1 100 VAL 100 112 112 VAL VAL A . n A 1 101 PRO 101 113 113 PRO PRO A . n A 1 102 VAL 102 114 114 VAL VAL A . n A 1 103 PRO 103 115 115 PRO PRO A . n A 1 104 GLU 104 116 116 GLU GLU A . n A 1 105 LEU 105 117 117 LEU LEU A . n A 1 106 SER 106 118 118 SER SER A . n A 1 107 THR 107 119 119 THR THR A . n A 1 108 GLY 108 120 120 GLY GLY A . n A 1 109 THR 109 121 121 THR THR A . n A 1 110 VAL 110 122 122 VAL VAL A . n A 1 111 ILE 111 123 123 ILE ILE A . n A 1 112 LYS 112 124 124 LYS LYS A . n A 1 113 VAL 113 125 125 VAL VAL A . n A 1 114 ILE 114 126 126 ILE ILE A . n A 1 115 THR 115 127 127 THR THR A . n A 1 116 ASN 116 128 128 ASN ASN A . n A 1 117 MET 117 129 129 MET MET A . n A 1 118 THR 118 130 130 THR THR A . n A 1 119 MET 119 131 131 MET MET A . n A 1 120 THR 120 132 132 THR THR A . n A 1 121 VAL 121 133 133 VAL VAL A . n A 1 122 GLN 122 134 134 GLN GLN A . n A 1 123 ASN 123 135 135 ASN ASN A . n A 1 124 LEU 124 136 136 LEU LEU A . n A 1 125 PHE 125 137 137 PHE PHE A . n A 1 126 PRO 126 138 138 PRO PRO A . n A 1 127 ASN 127 139 139 ASN ASN A . n A 1 128 LEU 128 140 140 LEU LEU A . n A 1 129 GLN 129 141 141 GLN GLN A . n A 1 130 VAL 130 142 142 VAL VAL A . n A 1 131 PHE 131 143 143 PHE PHE A . n A 1 132 PRO 132 144 144 PRO PRO A . n A 1 133 ALA 133 145 145 ALA ALA A . n A 1 134 LEU 134 146 146 LEU LEU A . n A 1 135 GLY 135 147 147 GLY GLY A . n A 1 136 ASN 136 148 148 ASN ASN A . n A 1 137 HIS 137 149 149 HIS HIS A . n A 1 138 ASP 138 150 150 ASP ASP A . n A 1 139 TYR 139 151 151 TYR TYR A . n A 1 140 TRP 140 152 152 TRP TRP A . n A 1 141 PRO 141 153 153 PRO PRO A . n A 1 142 GLN 142 154 154 GLN GLN A . n A 1 143 ASP 143 155 155 ASP ASP A . n A 1 144 GLN 144 156 156 GLN GLN A . n A 1 145 LEU 145 157 157 LEU LEU A . n A 1 146 PRO 146 158 158 PRO PRO A . n A 1 147 ILE 147 159 159 ILE ILE A . n A 1 148 VAL 148 160 160 VAL VAL A . n A 1 149 THR 149 161 161 THR THR A . n A 1 150 SER 150 162 162 SER SER A . n A 1 151 LYS 151 163 163 LYS LYS A . n A 1 152 VAL 152 164 164 VAL VAL A . n A 1 153 TYR 153 165 165 TYR TYR A . n A 1 154 SER 154 166 166 SER SER A . n A 1 155 ALA 155 167 167 ALA ALA A . n A 1 156 VAL 156 168 168 VAL VAL A . n A 1 157 ALA 157 169 169 ALA ALA A . n A 1 158 ASP 158 170 170 ASP ASP A . n A 1 159 LEU 159 171 171 LEU LEU A . n A 1 160 TRP 160 172 172 TRP TRP A . n A 1 161 LYS 161 173 173 LYS LYS A . n A 1 162 PRO 162 174 174 PRO PRO A . n A 1 163 TRP 163 175 175 TRP TRP A . n A 1 164 LEU 164 176 176 LEU LEU A . n A 1 165 GLY 165 177 177 GLY GLY A . n A 1 166 GLU 166 178 178 GLU GLU A . n A 1 167 GLU 167 179 179 GLU GLU A . n A 1 168 ALA 168 180 180 ALA ALA A . n A 1 169 ILE 169 181 181 ILE ILE A . n A 1 170 SER 170 182 182 SER SER A . n A 1 171 THR 171 183 183 THR THR A . n A 1 172 LEU 172 184 184 LEU LEU A . n A 1 173 LYS 173 185 185 LYS LYS A . n A 1 174 LYS 174 186 186 LYS LYS A . n A 1 175 GLY 175 187 187 GLY GLY A . n A 1 176 GLY 176 188 188 GLY GLY A . n A 1 177 PHE 177 189 189 PHE PHE A . n A 1 178 TYR 178 190 190 TYR TYR A . n A 1 179 SER 179 191 191 SER SER A . n A 1 180 GLN 180 192 192 GLN GLN A . n A 1 181 LYS 181 193 193 LYS LYS A . n A 1 182 VAL 182 194 194 VAL VAL A . n A 1 183 ALA 183 195 195 ALA ALA A . n A 1 184 SER 184 196 196 SER SER A . n A 1 185 ASN 185 197 197 ASN ASN A . n A 1 186 PRO 186 198 198 PRO PRO A . n A 1 187 GLY 187 199 199 GLY GLY A . n A 1 188 LEU 188 200 200 LEU LEU A . n A 1 189 ARG 189 201 201 ARG ARG A . n A 1 190 ILE 190 202 202 ILE ILE A . n A 1 191 ILE 191 203 203 ILE ILE A . n A 1 192 SER 192 204 204 SER SER A . n A 1 193 LEU 193 205 205 LEU LEU A . n A 1 194 ASN 194 206 206 ASN ASN A . n A 1 195 THR 195 207 207 THR THR A . n A 1 196 ASN 196 208 208 ASN ASN A . n A 1 197 LEU 197 209 209 LEU LEU A . n A 1 198 TYR 198 210 210 TYR TYR A . n A 1 199 TYR 199 211 211 TYR TYR A . n A 1 200 GLY 200 212 212 GLY GLY A . n A 1 201 PRO 201 213 213 PRO PRO A . n A 1 202 ASN 202 214 214 ASN ASN A . n A 1 203 ILE 203 215 215 ILE ILE A . n A 1 204 MET 204 216 216 MET MET A . n A 1 205 THR 205 217 217 THR THR A . n A 1 206 LEU 206 218 218 LEU LEU A . n A 1 207 ASN 207 219 219 ASN ASN A . n A 1 208 LYS 208 220 220 LYS LYS A . n A 1 209 THR 209 221 221 THR THR A . n A 1 210 ASP 210 222 222 ASP ASP A . n A 1 211 PRO 211 223 223 PRO PRO A . n A 1 212 ALA 212 224 224 ALA ALA A . n A 1 213 ASN 213 225 225 ASN ASN A . n A 1 214 GLN 214 226 226 GLN GLN A . n A 1 215 PHE 215 227 227 PHE PHE A . n A 1 216 GLU 216 228 228 GLU GLU A . n A 1 217 TRP 217 229 229 TRP TRP A . n A 1 218 LEU 218 230 230 LEU LEU A . n A 1 219 GLU 219 231 231 GLU GLU A . n A 1 220 ASN 220 232 232 ASN ASN A . n A 1 221 THR 221 233 233 THR THR A . n A 1 222 LEU 222 234 234 LEU LEU A . n A 1 223 ASN 223 235 235 ASN ASN A . n A 1 224 SER 224 236 236 SER SER A . n A 1 225 SER 225 237 237 SER SER A . n A 1 226 LEU 226 238 238 LEU LEU A . n A 1 227 TRP 227 239 239 TRP TRP A . n A 1 228 ASN 228 240 240 ASN ASN A . n A 1 229 LYS 229 241 241 LYS LYS A . n A 1 230 GLU 230 242 242 GLU GLU A . n A 1 231 LYS 231 243 243 LYS LYS A . n A 1 232 VAL 232 244 244 VAL VAL A . n A 1 233 TYR 233 245 245 TYR TYR A . n A 1 234 ILE 234 246 246 ILE ILE A . n A 1 235 ILE 235 247 247 ILE ILE A . n A 1 236 ALA 236 248 248 ALA ALA A . n A 1 237 HIS 237 249 249 HIS HIS A . n A 1 238 VAL 238 250 250 VAL VAL A . n A 1 239 PRO 239 251 251 PRO PRO A . n A 1 240 VAL 240 252 252 VAL VAL A . n A 1 241 GLY 241 253 253 GLY GLY A . n A 1 242 TYR 242 254 254 TYR TYR A . n A 1 243 LEU 243 255 255 LEU LEU A . n A 1 244 PRO 244 256 256 PRO PRO A . n A 1 245 TYR 245 257 257 TYR TYR A . n A 1 246 ALA 246 258 258 ALA ALA A . n A 1 247 THR 247 259 259 THR THR A . n A 1 248 ASP 248 260 260 ASP ASP A . n A 1 249 THR 249 261 261 THR THR A . n A 1 250 PRO 250 262 262 PRO PRO A . n A 1 251 ALA 251 263 263 ALA ALA A . n A 1 252 ILE 252 264 264 ILE ILE A . n A 1 253 ARG 253 265 265 ARG ARG A . n A 1 254 GLN 254 266 266 GLN GLN A . n A 1 255 TYR 255 267 267 TYR TYR A . n A 1 256 TYR 256 268 268 TYR TYR A . n A 1 257 ASN 257 269 269 ASN ASN A . n A 1 258 GLU 258 270 270 GLU GLU A . n A 1 259 LYS 259 271 271 LYS LYS A . n A 1 260 LEU 260 272 272 LEU LEU A . n A 1 261 LEU 261 273 273 LEU LEU A . n A 1 262 ASP 262 274 274 ASP ASP A . n A 1 263 ILE 263 275 275 ILE ILE A . n A 1 264 PHE 264 276 276 PHE PHE A . n A 1 265 ARG 265 277 277 ARG ARG A . n A 1 266 ARG 266 278 278 ARG ARG A . n A 1 267 TYR 267 279 279 TYR TYR A . n A 1 268 SER 268 280 280 SER SER A . n A 1 269 SER 269 281 281 SER SER A . n A 1 270 VAL 270 282 282 VAL VAL A . n A 1 271 ILE 271 283 283 ILE ILE A . n A 1 272 ALA 272 284 284 ALA ALA A . n A 1 273 GLY 273 285 285 GLY GLY A . n A 1 274 GLN 274 286 286 GLN GLN A . n A 1 275 PHE 275 287 287 PHE PHE A . n A 1 276 TYR 276 288 288 TYR TYR A . n A 1 277 GLY 277 289 289 GLY GLY A . n A 1 278 HIS 278 290 290 HIS HIS A . n A 1 279 THR 279 291 291 THR THR A . n A 1 280 HIS 280 292 292 HIS HIS A . n A 1 281 ARG 281 293 293 ARG ARG A . n A 1 282 ASP 282 294 294 ASP ASP A . n A 1 283 SER 283 295 295 SER SER A . n A 1 284 LEU 284 296 296 LEU LEU A . n A 1 285 MET 285 297 297 MET MET A . n A 1 286 VAL 286 298 298 VAL VAL A . n A 1 287 LEU 287 299 299 LEU LEU A . n A 1 288 SER 288 300 300 SER SER A . n A 1 289 ASP 289 301 301 ASP ASP A . n A 1 290 LYS 290 302 302 LYS LYS A . n A 1 291 ASN 291 303 303 ASN ASN A . n A 1 292 GLY 292 304 304 GLY GLY A . n A 1 293 ASN 293 305 305 ASN ASN A . n A 1 294 PRO 294 306 306 PRO PRO A . n A 1 295 LEU 295 307 307 LEU LEU A . n A 1 296 ASN 296 308 308 ASN ASN A . n A 1 297 SER 297 309 309 SER SER A . n A 1 298 VAL 298 310 310 VAL VAL A . n A 1 299 PHE 299 311 311 PHE PHE A . n A 1 300 VAL 300 312 312 VAL VAL A . n A 1 301 ALA 301 313 313 ALA ALA A . n A 1 302 PRO 302 314 314 PRO PRO A . n A 1 303 ALA 303 315 315 ALA ALA A . n A 1 304 VAL 304 316 316 VAL VAL A . n A 1 305 THR 305 317 317 THR THR A . n A 1 306 PRO 306 318 318 PRO PRO A . n A 1 307 VAL 307 319 319 VAL VAL A . n A 1 308 LYS 308 320 320 LYS LYS A . n A 1 309 GLY 309 321 321 GLY GLY A . n A 1 310 VAL 310 322 322 VAL VAL A . n A 1 311 LEU 311 323 323 LEU LEU A . n A 1 312 GLN 312 324 324 GLN GLN A . n A 1 313 LYS 313 325 325 LYS LYS A . n A 1 314 GLU 314 326 326 GLU GLU A . n A 1 315 THR 315 327 327 THR THR A . n A 1 316 ASN 316 328 328 ASN ASN A . n A 1 317 ASN 317 329 329 ASN ASN A . n A 1 318 PRO 318 330 330 PRO PRO A . n A 1 319 GLY 319 331 331 GLY GLY A . n A 1 320 VAL 320 332 332 VAL VAL A . n A 1 321 ARG 321 333 333 ARG ARG A . n A 1 322 LEU 322 334 334 LEU LEU A . n A 1 323 PHE 323 335 335 PHE PHE A . n A 1 324 GLN 324 336 336 GLN GLN A . n A 1 325 TYR 325 337 337 TYR TYR A . n A 1 326 LYS 326 338 338 LYS LYS A . n A 1 327 PRO 327 339 339 PRO PRO A . n A 1 328 GLY 328 340 340 GLY GLY A . n A 1 329 ASP 329 341 341 ASP ASP A . n A 1 330 TYR 330 342 342 TYR TYR A . n A 1 331 THR 331 343 343 THR THR A . n A 1 332 LEU 332 344 344 LEU LEU A . n A 1 333 LEU 333 345 345 LEU LEU A . n A 1 334 ASP 334 346 346 ASP ASP A . n A 1 335 MET 335 347 347 MET MET A . n A 1 336 VAL 336 348 348 VAL VAL A . n A 1 337 GLN 337 349 349 GLN GLN A . n A 1 338 TYR 338 350 350 TYR TYR A . n A 1 339 TYR 339 351 351 TYR TYR A . n A 1 340 LEU 340 352 352 LEU LEU A . n A 1 341 ASN 341 353 353 ASN ASN A . n A 1 342 LEU 342 354 354 LEU LEU A . n A 1 343 THR 343 355 355 THR THR A . n A 1 344 GLU 344 356 356 GLU GLU A . n A 1 345 ALA 345 357 357 ALA ALA A . n A 1 346 ASN 346 358 358 ASN ASN A . n A 1 347 LEU 347 359 359 LEU LEU A . n A 1 348 LYS 348 360 360 LYS LYS A . n A 1 349 GLY 349 361 361 GLY GLY A . n A 1 350 GLU 350 362 362 GLU GLU A . n A 1 351 SER 351 363 363 SER SER A . n A 1 352 ASN 352 364 364 ASN ASN A . n A 1 353 TRP 353 365 365 TRP TRP A . n A 1 354 THR 354 366 366 THR THR A . n A 1 355 LEU 355 367 367 LEU LEU A . n A 1 356 GLU 356 368 368 GLU GLU A . n A 1 357 TYR 357 369 369 TYR TYR A . n A 1 358 VAL 358 370 370 VAL VAL A . n A 1 359 LEU 359 371 371 LEU LEU A . n A 1 360 THR 360 372 372 THR THR A . n A 1 361 GLN 361 373 373 GLN GLN A . n A 1 362 ALA 362 374 374 ALA ALA A . n A 1 363 TYR 363 375 375 TYR TYR A . n A 1 364 SER 364 376 376 SER SER A . n A 1 365 VAL 365 377 377 VAL VAL A . n A 1 366 ALA 366 378 378 ALA ALA A . n A 1 367 ASP 367 379 379 ASP ASP A . n A 1 368 LEU 368 380 380 LEU LEU A . n A 1 369 GLN 369 381 381 GLN GLN A . n A 1 370 PRO 370 382 382 PRO PRO A . n A 1 371 LYS 371 383 383 LYS LYS A . n A 1 372 SER 372 384 384 SER SER A . n A 1 373 LEU 373 385 385 LEU LEU A . n A 1 374 TYR 374 386 386 TYR TYR A . n A 1 375 ALA 375 387 387 ALA ALA A . n A 1 376 LEU 376 388 388 LEU LEU A . n A 1 377 VAL 377 389 389 VAL VAL A . n A 1 378 GLN 378 390 390 GLN GLN A . n A 1 379 GLN 379 391 391 GLN GLN A . n A 1 380 PHE 380 392 392 PHE PHE A . n A 1 381 ALA 381 393 393 ALA ALA A . n A 1 382 THR 382 394 394 THR THR A . n A 1 383 LYS 383 395 395 LYS LYS A . n A 1 384 ASP 384 396 396 ASP ASP A . n A 1 385 SER 385 397 397 SER SER A . n A 1 386 LYS 386 398 398 LYS LYS A . n A 1 387 GLN 387 399 399 GLN GLN A . n A 1 388 PHE 388 400 400 PHE PHE A . n A 1 389 LEU 389 401 401 LEU LEU A . n A 1 390 LYS 390 402 402 LYS LYS A . n A 1 391 TYR 391 403 403 TYR TYR A . n A 1 392 TYR 392 404 404 TYR TYR A . n A 1 393 HIS 393 405 405 HIS HIS A . n A 1 394 TYR 394 406 406 TYR TYR A . n A 1 395 TYR 395 407 407 TYR TYR A . n A 1 396 PHE 396 408 408 PHE PHE A . n A 1 397 VAL 397 409 409 VAL VAL A . n A 1 398 SER 398 410 410 SER SER A . n A 1 399 TYR 399 411 411 TYR TYR A . n A 1 400 ASP 400 412 412 ASP ASP A . n A 1 401 SER 401 413 413 SER SER A . n A 1 402 SER 402 414 414 SER SER A . n A 1 403 ALA 403 415 415 ALA ALA A . n A 1 404 THR 404 416 416 THR THR A . n A 1 405 CYS 405 417 417 CYS CYS A . n A 1 406 ASP 406 418 418 ASP ASP A . n A 1 407 GLN 407 419 419 GLN GLN A . n A 1 408 HIS 408 420 420 HIS HIS A . n A 1 409 CYS 409 421 421 CYS CYS A . n A 1 410 LYS 410 422 422 LYS LYS A . n A 1 411 THR 411 423 423 THR THR A . n A 1 412 LEU 412 424 424 LEU LEU A . n A 1 413 GLN 413 425 425 GLN GLN A . n A 1 414 VAL 414 426 426 VAL VAL A . n A 1 415 CYS 415 427 427 CYS CYS A . n A 1 416 ALA 416 428 428 ALA ALA A . n A 1 417 ILE 417 429 429 ILE ILE A . n A 1 418 MET 418 430 430 MET MET A . n A 1 419 ASN 419 431 431 ASN ASN A . n A 1 420 LEU 420 432 432 LEU LEU A . n A 1 421 ASP 421 433 433 ASP ASP A . n A 1 422 SER 422 434 434 SER SER A . n A 1 423 MET 423 435 435 MET MET A . n A 1 424 SER 424 436 436 SER SER A . n A 1 425 TYR 425 437 437 TYR TYR A . n A 1 426 ASP 426 438 438 ASP ASP A . n A 1 427 ASP 427 439 439 ASP ASP A . n A 1 428 CYS 428 440 440 CYS CYS A . n A 1 429 LEU 429 441 441 LEU LEU A . n A 1 430 LYS 430 442 442 LYS LYS A . n A 1 431 GLN 431 443 443 GLN GLN A . n A 1 432 HIS 432 444 444 HIS HIS A . n A 1 433 LEU 433 445 445 LEU LEU 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 ZN 1 501 1 ZN ZN A . C 2 ZN 1 502 2 ZN ZN A . D 3 NAG 1 503 1 NAG NAG A . E 3 NAG 2 504 5 NAG NAG A . F 4 FUC 1 505 1 FUC FUC A . G 3 NAG 2 506 2 NAG NAG A . H 3 NAG 3 507 7 NAG NAG A . I 3 NAG 1 508 3 NAG NAG A . J 3 NAG 2 509 8 NAG NAG A . K 3 NAG 1 510 4 NAG NAG A . L 3 NAG 1 511 6 NAG NAG A . M 5 SO4 1 512 1 SO4 SO4 A . N 5 SO4 1 513 2 SO4 SO4 A . O 5 SO4 1 514 3 SO4 SO4 A . P 5 SO4 1 515 4 SO4 SO4 A . Q 5 SO4 1 516 5 SO4 SO4 A . R 5 SO4 1 517 6 SO4 SO4 A . S 6 GOL 1 518 1 GOL GOL A . T 6 GOL 1 519 2 GOL GOL A . U 6 GOL 1 520 3 GOL GOL A . V 7 HOH 1 601 238 HOH HOH A . V 7 HOH 2 602 239 HOH HOH A . V 7 HOH 3 603 253 HOH HOH A . V 7 HOH 4 604 42 HOH HOH A . V 7 HOH 5 605 56 HOH HOH A . V 7 HOH 6 606 353 HOH HOH A . V 7 HOH 7 607 141 HOH HOH A . V 7 HOH 8 608 349 HOH HOH A . V 7 HOH 9 609 391 HOH HOH A . V 7 HOH 10 610 309 HOH HOH A . V 7 HOH 11 611 1 HOH HOH A . V 7 HOH 12 612 340 HOH HOH A . V 7 HOH 13 613 188 HOH HOH A . V 7 HOH 14 614 270 HOH HOH A . V 7 HOH 15 615 308 HOH HOH A . V 7 HOH 16 616 299 HOH HOH A . V 7 HOH 17 617 83 HOH HOH A . V 7 HOH 18 618 151 HOH HOH A . V 7 HOH 19 619 335 HOH HOH A . V 7 HOH 20 620 6 HOH HOH A . V 7 HOH 21 621 159 HOH HOH A . V 7 HOH 22 622 318 HOH HOH A . V 7 HOH 23 623 156 HOH HOH A . V 7 HOH 24 624 266 HOH HOH A . V 7 HOH 25 625 274 HOH HOH A . V 7 HOH 26 626 181 HOH HOH A . V 7 HOH 27 627 336 HOH HOH A . V 7 HOH 28 628 59 HOH HOH A . V 7 HOH 29 629 71 HOH HOH A . V 7 HOH 30 630 183 HOH HOH A . V 7 HOH 31 631 208 HOH HOH A . V 7 HOH 32 632 306 HOH HOH A . V 7 HOH 33 633 235 HOH HOH A . V 7 HOH 34 634 146 HOH HOH A . V 7 HOH 35 635 218 HOH HOH A . V 7 HOH 36 636 396 HOH HOH A . V 7 HOH 37 637 198 HOH HOH A . V 7 HOH 38 638 293 HOH HOH A . V 7 HOH 39 639 197 HOH HOH A . V 7 HOH 40 640 272 HOH HOH A . V 7 HOH 41 641 78 HOH HOH A . V 7 HOH 42 642 397 HOH HOH A . V 7 HOH 43 643 160 HOH HOH A . V 7 HOH 44 644 68 HOH HOH A . V 7 HOH 45 645 113 HOH HOH A . V 7 HOH 46 646 401 HOH HOH A . V 7 HOH 47 647 100 HOH HOH A . V 7 HOH 48 648 369 HOH HOH A . V 7 HOH 49 649 8 HOH HOH A . V 7 HOH 50 650 99 HOH HOH A . V 7 HOH 51 651 138 HOH HOH A . V 7 HOH 52 652 25 HOH HOH A . V 7 HOH 53 653 119 HOH HOH A . V 7 HOH 54 654 233 HOH HOH A . V 7 HOH 55 655 398 HOH HOH A . V 7 HOH 56 656 285 HOH HOH A . V 7 HOH 57 657 86 HOH HOH A . V 7 HOH 58 658 165 HOH HOH A . V 7 HOH 59 659 303 HOH HOH A . V 7 HOH 60 660 226 HOH HOH A . V 7 HOH 61 661 91 HOH HOH A . V 7 HOH 62 662 384 HOH HOH A . V 7 HOH 63 663 295 HOH HOH A . V 7 HOH 64 664 162 HOH HOH A . V 7 HOH 65 665 173 HOH HOH A . V 7 HOH 66 666 234 HOH HOH A . V 7 HOH 67 667 317 HOH HOH A . V 7 HOH 68 668 357 HOH HOH A . V 7 HOH 69 669 130 HOH HOH A . V 7 HOH 70 670 250 HOH HOH A . V 7 HOH 71 671 3 HOH HOH A . V 7 HOH 72 672 202 HOH HOH A . V 7 HOH 73 673 13 HOH HOH A . V 7 HOH 74 674 123 HOH HOH A . V 7 HOH 75 675 2 HOH HOH A . V 7 HOH 76 676 189 HOH HOH A . V 7 HOH 77 677 359 HOH HOH A . V 7 HOH 78 678 257 HOH HOH A . V 7 HOH 79 679 360 HOH HOH A . V 7 HOH 80 680 44 HOH HOH A . V 7 HOH 81 681 81 HOH HOH A . V 7 HOH 82 682 28 HOH HOH A . V 7 HOH 83 683 185 HOH HOH A . V 7 HOH 84 684 45 HOH HOH A . V 7 HOH 85 685 124 HOH HOH A . V 7 HOH 86 686 39 HOH HOH A . V 7 HOH 87 687 180 HOH HOH A . V 7 HOH 88 688 211 HOH HOH A . V 7 HOH 89 689 19 HOH HOH A . V 7 HOH 90 690 170 HOH HOH A . V 7 HOH 91 691 174 HOH HOH A . V 7 HOH 92 692 29 HOH HOH A . V 7 HOH 93 693 157 HOH HOH A . V 7 HOH 94 694 20 HOH HOH A . V 7 HOH 95 695 132 HOH HOH A . V 7 HOH 96 696 118 HOH HOH A . V 7 HOH 97 697 227 HOH HOH A . V 7 HOH 98 698 112 HOH HOH A . V 7 HOH 99 699 41 HOH HOH A . V 7 HOH 100 700 32 HOH HOH A . V 7 HOH 101 701 103 HOH HOH A . V 7 HOH 102 702 38 HOH HOH A . V 7 HOH 103 703 31 HOH HOH A . V 7 HOH 104 704 133 HOH HOH A . V 7 HOH 105 705 366 HOH HOH A . V 7 HOH 106 706 40 HOH HOH A . V 7 HOH 107 707 75 HOH HOH A . V 7 HOH 108 708 288 HOH HOH A . V 7 HOH 109 709 311 HOH HOH A . V 7 HOH 110 710 51 HOH HOH A . V 7 HOH 111 711 236 HOH HOH A . V 7 HOH 112 712 194 HOH HOH A . V 7 HOH 113 713 351 HOH HOH A . V 7 HOH 114 714 98 HOH HOH A . V 7 HOH 115 715 368 HOH HOH A . V 7 HOH 116 716 24 HOH HOH A . V 7 HOH 117 717 27 HOH HOH A . V 7 HOH 118 718 12 HOH HOH A . V 7 HOH 119 719 338 HOH HOH A . V 7 HOH 120 720 134 HOH HOH A . V 7 HOH 121 721 102 HOH HOH A . V 7 HOH 122 722 155 HOH HOH A . V 7 HOH 123 723 171 HOH HOH A . V 7 HOH 124 724 307 HOH HOH A . V 7 HOH 125 725 207 HOH HOH A . V 7 HOH 126 726 294 HOH HOH A . V 7 HOH 127 727 105 HOH HOH A . V 7 HOH 128 728 85 HOH HOH A . V 7 HOH 129 729 149 HOH HOH A . V 7 HOH 130 730 312 HOH HOH A . V 7 HOH 131 731 232 HOH HOH A . V 7 HOH 132 732 350 HOH HOH A . V 7 HOH 133 733 269 HOH HOH A . V 7 HOH 134 734 314 HOH HOH A . V 7 HOH 135 735 381 HOH HOH A . V 7 HOH 136 736 310 HOH HOH A . V 7 HOH 137 737 69 HOH HOH A . V 7 HOH 138 738 161 HOH HOH A . V 7 HOH 139 739 277 HOH HOH A . V 7 HOH 140 740 279 HOH HOH A . V 7 HOH 141 741 110 HOH HOH A . V 7 HOH 142 742 125 HOH HOH A . V 7 HOH 143 743 287 HOH HOH A . V 7 HOH 144 744 187 HOH HOH A . V 7 HOH 145 745 215 HOH HOH A . V 7 HOH 146 746 64 HOH HOH A . V 7 HOH 147 747 116 HOH HOH A . V 7 HOH 148 748 143 HOH HOH A . V 7 HOH 149 749 163 HOH HOH A . V 7 HOH 150 750 104 HOH HOH A . V 7 HOH 151 751 115 HOH HOH A . V 7 HOH 152 752 95 HOH HOH A . V 7 HOH 153 753 55 HOH HOH A . V 7 HOH 154 754 61 HOH HOH A . V 7 HOH 155 755 53 HOH HOH A . V 7 HOH 156 756 192 HOH HOH A . V 7 HOH 157 757 291 HOH HOH A . V 7 HOH 158 758 255 HOH HOH A . V 7 HOH 159 759 169 HOH HOH A . V 7 HOH 160 760 5 HOH HOH A . V 7 HOH 161 761 4 HOH HOH A . V 7 HOH 162 762 30 HOH HOH A . V 7 HOH 163 763 33 HOH HOH A . V 7 HOH 164 764 11 HOH HOH A . V 7 HOH 165 765 376 HOH HOH A . V 7 HOH 166 766 93 HOH HOH A . V 7 HOH 167 767 166 HOH HOH A . V 7 HOH 168 768 67 HOH HOH A . V 7 HOH 169 769 90 HOH HOH A . V 7 HOH 170 770 21 HOH HOH A . V 7 HOH 171 771 62 HOH HOH A . V 7 HOH 172 772 140 HOH HOH A . V 7 HOH 173 773 217 HOH HOH A . V 7 HOH 174 774 26 HOH HOH A . V 7 HOH 175 775 111 HOH HOH A . V 7 HOH 176 776 231 HOH HOH A . V 7 HOH 177 777 65 HOH HOH A . V 7 HOH 178 778 301 HOH HOH A . V 7 HOH 179 779 36 HOH HOH A . V 7 HOH 180 780 72 HOH HOH A . V 7 HOH 181 781 216 HOH HOH A . V 7 HOH 182 782 337 HOH HOH A . V 7 HOH 183 783 34 HOH HOH A . V 7 HOH 184 784 248 HOH HOH A . V 7 HOH 185 785 88 HOH HOH A . V 7 HOH 186 786 7 HOH HOH A . V 7 HOH 187 787 147 HOH HOH A . V 7 HOH 188 788 313 HOH HOH A . V 7 HOH 189 789 300 HOH HOH A . V 7 HOH 190 790 358 HOH HOH A . V 7 HOH 191 791 23 HOH HOH A . V 7 HOH 192 792 389 HOH HOH A . V 7 HOH 193 793 258 HOH HOH A . V 7 HOH 194 794 184 HOH HOH A . V 7 HOH 195 795 120 HOH HOH A . V 7 HOH 196 796 259 HOH HOH A . V 7 HOH 197 797 176 HOH HOH A . V 7 HOH 198 798 101 HOH HOH A . V 7 HOH 199 799 126 HOH HOH A . V 7 HOH 200 800 60 HOH HOH A . V 7 HOH 201 801 73 HOH HOH A . V 7 HOH 202 802 179 HOH HOH A . V 7 HOH 203 803 221 HOH HOH A . V 7 HOH 204 804 87 HOH HOH A . V 7 HOH 205 805 305 HOH HOH A . V 7 HOH 206 806 14 HOH HOH A . V 7 HOH 207 807 278 HOH HOH A . V 7 HOH 208 808 94 HOH HOH A . V 7 HOH 209 809 252 HOH HOH A . V 7 HOH 210 810 63 HOH HOH A . V 7 HOH 211 811 342 HOH HOH A . V 7 HOH 212 812 195 HOH HOH A . V 7 HOH 213 813 74 HOH HOH A . V 7 HOH 214 814 49 HOH HOH A . V 7 HOH 215 815 128 HOH HOH A . V 7 HOH 216 816 50 HOH HOH A . V 7 HOH 217 817 186 HOH HOH A . V 7 HOH 218 818 16 HOH HOH A . V 7 HOH 219 819 242 HOH HOH A . V 7 HOH 220 820 144 HOH HOH A . V 7 HOH 221 821 199 HOH HOH A . V 7 HOH 222 822 297 HOH HOH A . V 7 HOH 223 823 262 HOH HOH A . V 7 HOH 224 824 191 HOH HOH A . V 7 HOH 225 825 47 HOH HOH A . V 7 HOH 226 826 37 HOH HOH A . V 7 HOH 227 827 48 HOH HOH A . V 7 HOH 228 828 298 HOH HOH A . V 7 HOH 229 829 137 HOH HOH A . V 7 HOH 230 830 89 HOH HOH A . V 7 HOH 231 831 153 HOH HOH A . V 7 HOH 232 832 145 HOH HOH A . V 7 HOH 233 833 18 HOH HOH A . V 7 HOH 234 834 114 HOH HOH A . V 7 HOH 235 835 109 HOH HOH A . V 7 HOH 236 836 206 HOH HOH A . V 7 HOH 237 837 175 HOH HOH A . V 7 HOH 238 838 247 HOH HOH A . V 7 HOH 239 839 304 HOH HOH A . V 7 HOH 240 840 319 HOH HOH A . V 7 HOH 241 841 273 HOH HOH A . V 7 HOH 242 842 139 HOH HOH A . V 7 HOH 243 843 46 HOH HOH A . V 7 HOH 244 844 9 HOH HOH A . V 7 HOH 245 845 66 HOH HOH A . V 7 HOH 246 846 127 HOH HOH A . V 7 HOH 247 847 152 HOH HOH A . V 7 HOH 248 848 225 HOH HOH A . V 7 HOH 249 849 267 HOH HOH A . V 7 HOH 250 850 386 HOH HOH A . V 7 HOH 251 851 402 HOH HOH A . V 7 HOH 252 852 201 HOH HOH A . V 7 HOH 253 853 325 HOH HOH A . V 7 HOH 254 854 237 HOH HOH A . V 7 HOH 255 855 122 HOH HOH A . V 7 HOH 256 856 204 HOH HOH A . V 7 HOH 257 857 58 HOH HOH A . V 7 HOH 258 858 57 HOH HOH A . V 7 HOH 259 859 96 HOH HOH A . V 7 HOH 260 860 220 HOH HOH A . V 7 HOH 261 861 271 HOH HOH A . V 7 HOH 262 862 107 HOH HOH A . V 7 HOH 263 863 150 HOH HOH A . V 7 HOH 264 864 230 HOH HOH A . V 7 HOH 265 865 256 HOH HOH A . V 7 HOH 266 866 254 HOH HOH A . V 7 HOH 267 867 43 HOH HOH A . V 7 HOH 268 868 148 HOH HOH A . V 7 HOH 269 869 193 HOH HOH A . V 7 HOH 270 870 316 HOH HOH A . V 7 HOH 271 871 281 HOH HOH A . V 7 HOH 272 872 276 HOH HOH A . V 7 HOH 273 873 354 HOH HOH A . V 7 HOH 274 874 365 HOH HOH A . V 7 HOH 275 875 371 HOH HOH A . V 7 HOH 276 876 219 HOH HOH A . V 7 HOH 277 877 35 HOH HOH A . V 7 HOH 278 878 106 HOH HOH A . V 7 HOH 279 879 108 HOH HOH A . V 7 HOH 280 880 348 HOH HOH A . V 7 HOH 281 881 167 HOH HOH A . V 7 HOH 282 882 54 HOH HOH A . V 7 HOH 283 883 17 HOH HOH A . V 7 HOH 284 884 136 HOH HOH A . V 7 HOH 285 885 15 HOH HOH A . V 7 HOH 286 886 76 HOH HOH A . V 7 HOH 287 887 121 HOH HOH A . V 7 HOH 288 888 79 HOH HOH A . V 7 HOH 289 889 158 HOH HOH A . V 7 HOH 290 890 117 HOH HOH A . V 7 HOH 291 891 392 HOH HOH A . V 7 HOH 292 892 321 HOH HOH A . V 7 HOH 293 893 52 HOH HOH A . V 7 HOH 294 894 82 HOH HOH A . V 7 HOH 295 895 328 HOH HOH A . V 7 HOH 296 896 408 HOH HOH A . V 7 HOH 297 897 345 HOH HOH A . V 7 HOH 298 898 135 HOH HOH A . V 7 HOH 299 899 213 HOH HOH A . V 7 HOH 300 900 261 HOH HOH A . V 7 HOH 301 901 154 HOH HOH A . V 7 HOH 302 902 400 HOH HOH A . V 7 HOH 303 903 222 HOH HOH A . V 7 HOH 304 904 289 HOH HOH A . V 7 HOH 305 905 363 HOH HOH A . V 7 HOH 306 906 406 HOH HOH A . V 7 HOH 307 907 164 HOH HOH A . V 7 HOH 308 908 203 HOH HOH A . V 7 HOH 309 909 372 HOH HOH A . V 7 HOH 310 910 131 HOH HOH A . V 7 HOH 311 911 275 HOH HOH A . V 7 HOH 312 912 394 HOH HOH A . V 7 HOH 313 913 380 HOH HOH A . V 7 HOH 314 914 323 HOH HOH A . V 7 HOH 315 915 249 HOH HOH A . V 7 HOH 316 916 343 HOH HOH A . V 7 HOH 317 917 367 HOH HOH A . V 7 HOH 318 918 387 HOH HOH A . V 7 HOH 319 919 265 HOH HOH A . V 7 HOH 320 920 296 HOH HOH A . V 7 HOH 321 921 241 HOH HOH A . V 7 HOH 322 922 260 HOH HOH A . V 7 HOH 323 923 22 HOH HOH A . V 7 HOH 324 924 290 HOH HOH A . V 7 HOH 325 925 224 HOH HOH A . V 7 HOH 326 926 178 HOH HOH A . V 7 HOH 327 927 322 HOH HOH A . V 7 HOH 328 928 362 HOH HOH A . V 7 HOH 329 929 330 HOH HOH A . V 7 HOH 330 930 190 HOH HOH A . V 7 HOH 331 931 168 HOH HOH A . V 7 HOH 332 932 390 HOH HOH A . V 7 HOH 333 933 209 HOH HOH A . V 7 HOH 334 934 355 HOH HOH A . V 7 HOH 335 935 331 HOH HOH A . V 7 HOH 336 936 212 HOH HOH A . V 7 HOH 337 937 407 HOH HOH A . V 7 HOH 338 938 352 HOH HOH A . V 7 HOH 339 939 70 HOH HOH A . V 7 HOH 340 940 333 HOH HOH A . V 7 HOH 341 941 346 HOH HOH A . V 7 HOH 342 942 129 HOH HOH A . V 7 HOH 343 943 263 HOH HOH A . V 7 HOH 344 944 223 HOH HOH A . V 7 HOH 345 945 315 HOH HOH A . V 7 HOH 346 946 264 HOH HOH A . V 7 HOH 347 947 399 HOH HOH A . V 7 HOH 348 948 210 HOH HOH A . V 7 HOH 349 949 347 HOH HOH A . V 7 HOH 350 950 302 HOH HOH A . V 7 HOH 351 951 292 HOH HOH A . V 7 HOH 352 952 393 HOH HOH A . V 7 HOH 353 953 339 HOH HOH A . V 7 HOH 354 954 182 HOH HOH A . V 7 HOH 355 955 344 HOH HOH A . V 7 HOH 356 956 403 HOH HOH A . V 7 HOH 357 957 229 HOH HOH A . V 7 HOH 358 958 388 HOH HOH A . V 7 HOH 359 959 404 HOH HOH A . V 7 HOH 360 960 77 HOH HOH A . V 7 HOH 361 961 324 HOH HOH A . V 7 HOH 362 962 375 HOH HOH A . V 7 HOH 363 963 196 HOH HOH A . V 7 HOH 364 964 246 HOH HOH A . V 7 HOH 365 965 320 HOH HOH A . V 7 HOH 366 966 327 HOH HOH A . V 7 HOH 367 967 200 HOH HOH A . V 7 HOH 368 968 341 HOH HOH A . V 7 HOH 369 969 361 HOH HOH A . V 7 HOH 370 970 177 HOH HOH A . V 7 HOH 371 971 405 HOH HOH A . V 7 HOH 372 972 379 HOH HOH A . V 7 HOH 373 973 214 HOH HOH A . V 7 HOH 374 974 332 HOH HOH A . V 7 HOH 375 975 84 HOH HOH A . V 7 HOH 376 976 245 HOH HOH A . V 7 HOH 377 977 268 HOH HOH A . V 7 HOH 378 978 228 HOH HOH A . V 7 HOH 379 979 10 HOH HOH A . V 7 HOH 380 980 283 HOH HOH A . V 7 HOH 381 981 243 HOH HOH A . V 7 HOH 382 982 251 HOH HOH A . V 7 HOH 383 983 80 HOH HOH A . V 7 HOH 384 984 286 HOH HOH A . V 7 HOH 385 985 284 HOH HOH A . V 7 HOH 386 986 334 HOH HOH A . V 7 HOH 387 987 382 HOH HOH A . V 7 HOH 388 988 244 HOH HOH A . V 7 HOH 389 989 172 HOH HOH A . V 7 HOH 390 990 370 HOH HOH A . V 7 HOH 391 991 329 HOH HOH A . V 7 HOH 392 992 205 HOH HOH A . V 7 HOH 393 993 378 HOH HOH A . V 7 HOH 394 994 326 HOH HOH A . V 7 HOH 395 995 364 HOH HOH A . V 7 HOH 396 996 240 HOH HOH A . V 7 HOH 397 997 377 HOH HOH A . V 7 HOH 398 998 92 HOH HOH A . V 7 HOH 399 999 383 HOH HOH A . V 7 HOH 400 1000 282 HOH HOH A . V 7 HOH 401 1001 97 HOH HOH A . V 7 HOH 402 1002 142 HOH HOH A . V 7 HOH 403 1003 373 HOH HOH A . V 7 HOH 404 1004 395 HOH HOH A . V 7 HOH 405 1005 374 HOH HOH A . V 7 HOH 406 1006 280 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OD1 ? A ASP 30 ? A ASP 42 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 NE2 ? A HIS 32 ? A HIS 44 ? 1_555 107.9 ? 2 OD1 ? A ASP 30 ? A ASP 42 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 OD2 ? A ASP 95 ? A ASP 107 ? 1_555 88.9 ? 3 NE2 ? A HIS 32 ? A HIS 44 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 OD2 ? A ASP 95 ? A ASP 107 ? 1_555 90.6 ? 4 OD1 ? A ASP 30 ? A ASP 42 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 NE2 ? A HIS 280 ? A HIS 292 ? 1_555 91.2 ? 5 NE2 ? A HIS 32 ? A HIS 44 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 NE2 ? A HIS 280 ? A HIS 292 ? 1_555 98.3 ? 6 OD2 ? A ASP 95 ? A ASP 107 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 NE2 ? A HIS 280 ? A HIS 292 ? 1_555 170.7 ? 7 OD1 ? A ASP 30 ? A ASP 42 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 O3 ? M SO4 . ? A SO4 512 ? 1_555 157.5 ? 8 NE2 ? A HIS 32 ? A HIS 44 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 O3 ? M SO4 . ? A SO4 512 ? 1_555 93.5 ? 9 OD2 ? A ASP 95 ? A ASP 107 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 O3 ? M SO4 . ? A SO4 512 ? 1_555 83.9 ? 10 NE2 ? A HIS 280 ? A HIS 292 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 O3 ? M SO4 . ? A SO4 512 ? 1_555 92.5 ? 11 OD1 ? A ASP 30 ? A ASP 42 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 O ? V HOH . ? A HOH 611 ? 1_555 90.2 ? 12 NE2 ? A HIS 32 ? A HIS 44 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 O ? V HOH . ? A HOH 611 ? 1_555 156.6 ? 13 OD2 ? A ASP 95 ? A ASP 107 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 O ? V HOH . ? A HOH 611 ? 1_555 74.5 ? 14 NE2 ? A HIS 280 ? A HIS 292 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 O ? V HOH . ? A HOH 611 ? 1_555 96.1 ? 15 O3 ? M SO4 . ? A SO4 512 ? 1_555 ZN ? B ZN . ? A ZN 501 ? 1_555 O ? V HOH . ? A HOH 611 ? 1_555 67.4 ? 16 OD2 ? A ASP 95 ? A ASP 107 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 OD1 ? A ASN 136 ? A ASN 148 ? 1_555 104.3 ? 17 OD2 ? A ASP 95 ? A ASP 107 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 NE2 ? A HIS 237 ? A HIS 249 ? 1_555 84.5 ? 18 OD1 ? A ASN 136 ? A ASN 148 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 NE2 ? A HIS 237 ? A HIS 249 ? 1_555 89.0 ? 19 OD2 ? A ASP 95 ? A ASP 107 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 ND1 ? A HIS 278 ? A HIS 290 ? 1_555 158.7 ? 20 OD1 ? A ASN 136 ? A ASN 148 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 ND1 ? A HIS 278 ? A HIS 290 ? 1_555 96.8 ? 21 NE2 ? A HIS 237 ? A HIS 249 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 ND1 ? A HIS 278 ? A HIS 290 ? 1_555 93.9 ? 22 OD2 ? A ASP 95 ? A ASP 107 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 O4 ? M SO4 . ? A SO4 512 ? 1_555 87.5 ? 23 OD1 ? A ASN 136 ? A ASN 148 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 O4 ? M SO4 . ? A SO4 512 ? 1_555 91.7 ? 24 NE2 ? A HIS 237 ? A HIS 249 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 O4 ? M SO4 . ? A SO4 512 ? 1_555 171.9 ? 25 ND1 ? A HIS 278 ? A HIS 290 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 O4 ? M SO4 . ? A SO4 512 ? 1_555 94.1 ? 26 OD2 ? A ASP 95 ? A ASP 107 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 O ? V HOH . ? A HOH 611 ? 1_555 69.1 ? 27 OD1 ? A ASN 136 ? A ASN 148 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 O ? V HOH . ? A HOH 611 ? 1_555 163.5 ? 28 NE2 ? A HIS 237 ? A HIS 249 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 O ? V HOH . ? A HOH 611 ? 1_555 104.9 ? 29 ND1 ? A HIS 278 ? A HIS 290 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 O ? V HOH . ? A HOH 611 ? 1_555 91.0 ? 30 O4 ? M SO4 . ? A SO4 512 ? 1_555 ZN ? C ZN . ? A ZN 502 ? 1_555 O ? V HOH . ? A HOH 611 ? 1_555 73.3 ? # 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 2016-01-27 2 'Structure model' 1 1 2016-02-03 3 'Structure model' 1 2 2016-03-30 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.10.1_2155: ???)' 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 HH22 A ARG 278 ? ? O A HOH 610 ? ? 1.52 2 1 H A ASP 396 ? ? O3 A GOL 520 ? ? 1.59 3 1 O3 A SO4 516 ? ? O A HOH 601 ? ? 1.96 4 1 OD1 A ASN 232 ? A O A HOH 602 ? ? 2.10 5 1 O A HOH 619 ? ? O A HOH 713 ? ? 2.15 6 1 O6 A NAG 503 ? ? O A HOH 603 ? ? 2.17 7 1 OE1 A GLN 373 ? B O A HOH 604 ? ? 2.17 8 1 O A HOH 629 ? ? O A HOH 895 ? ? 2.18 # 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 ASN A 69 ? ? -155.85 68.18 2 1 THR A 105 ? ? -98.97 37.13 3 1 ASP A 107 ? ? 75.73 70.75 4 1 ASP A 150 ? ? -87.43 46.71 5 1 ASP A 155 ? ? 78.91 -13.91 6 1 GLN A 156 ? ? -96.59 50.87 7 1 ALA A 224 ? ? 58.81 14.69 8 1 HIS A 249 ? ? -79.38 -71.44 9 1 HIS A 290 ? ? 73.25 -42.91 10 1 ASP A 379 ? ? -170.63 -171.79 # 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 ASP 13 ? A ASP 1 2 1 Y 1 A ARG 14 ? A ARG 2 3 1 Y 1 A HIS 15 ? A HIS 3 4 1 Y 1 A HIS 16 ? A HIS 4 5 1 Y 1 A HIS 17 ? A HIS 5 6 1 Y 1 A HIS 18 ? A HIS 6 7 1 Y 1 A HIS 19 ? A HIS 7 8 1 Y 1 A ASP 29 ? A ASP 17 9 1 Y 1 A ARG 30 ? A ARG 18 10 1 Y 1 A ALA 31 ? A ALA 19 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'ZINC ION' ZN 3 N-ACETYL-D-GLUCOSAMINE NAG 4 ALPHA-L-FUCOSE FUC 5 'SULFATE ION' SO4 6 GLYCEROL GOL 7 water HOH #