data_5E8M # _entry.id 5E8M # _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 5E8M WWPDB D_1000214543 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5E8M _pdbx_database_status.recvd_initial_deposition_date 2015-10-14 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Wu, L.' 1 'Davies, G.J.' 2 # _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 Nat.Struct.Mol.Biol. _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1545-9985 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 22 _citation.language ? _citation.page_first 1016 _citation.page_last 1022 _citation.title 'Structural characterization of human heparanase reveals insights into substrate recognition.' _citation.year 2015 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1038/nsmb.3136 _citation.pdbx_database_id_PubMed 26575439 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Wu, L.' 1 primary 'Viola, C.M.' 2 primary 'Brzozowski, A.M.' 3 primary 'Davies, G.J.' 4 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 94.17 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5E8M _cell.details ? _cell.formula_units_Z ? _cell.length_a 46.765 _cell.length_a_esd ? _cell.length_b 70.972 _cell.length_b_esd ? _cell.length_c 78.948 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 2 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5E8M _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Heparanase 43733.324 1 3.2.1.166 ? 'UNP residues 158-543' ? 2 polymer man Heparanase 8542.769 1 3.2.1.166 ? 'UNP residues 36-109' ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 4 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 5 non-polymer syn 1,2-ETHANEDIOL 62.068 15 ? ? ? ? 6 non-polymer syn 'CHLORIDE ION' 35.453 3 ? ? ? ? 7 water nat water 18.015 249 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 'Endo-glucoronidase,Heparanase-1,Hpa1, glycoside hydrolase' 2 'Endo-glucoronidase,Heparanase-1,Hpa1, glycoside hydrolase' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;DPGKKFKNSTYSRSSVDVLYTFANCSGLDLIFGLNALLRTADLQWNSSNAQLLLDYCSSKGYNISWELGNEPNSFLKKAD IFINGSQLGEDFIQLHKLLRKSTFKNAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYLNGRTATREDFLNPD VLDIFISSVQKVFQVVESTRPGKKVWLGETSSAYGGGAPLLSDTFAAGFMWLDKLGLSARMGIEVVMRQVFFGAGNYHLV DENFDPLPDYWLSLLFKKLVGTKVLMASVQGSKRRKLRVYLHCTNTDNPRYKEGDLTLYAINLHNVTKYLRLPYPFSNKQ VDKYLLRPLGPHGLLSKSVQLNGLTLKMVDDQTLPPLMEKPLRPGSSLGLPAFSYSFFVIRNAKVAACI ; ;DPGKKFKNSTYSRSSVDVLYTFANCSGLDLIFGLNALLRTADLQWNSSNAQLLLDYCSSKGYNISWELGNEPNSFLKKAD IFINGSQLGEDFIQLHKLLRKSTFKNAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYLNGRTATREDFLNPD VLDIFISSVQKVFQVVESTRPGKKVWLGETSSAYGGGAPLLSDTFAAGFMWLDKLGLSARMGIEVVMRQVFFGAGNYHLV DENFDPLPDYWLSLLFKKLVGTKVLMASVQGSKRRKLRVYLHCTNTDNPRYKEGDLTLYAINLHNVTKYLRLPYPFSNKQ VDKYLLRPLGPHGLLSKSVQLNGLTLKMVDDQTLPPLMEKPLRPGSSLGLPAFSYSFFVIRNAKVAACI ; A ? 2 'polypeptide(L)' no no DPGQDVVDLDFFTQEPLHLVSPSFLSVTIDANLATDPRFLILLGSPKLRTLARGLSPAYLRFGGTKTDFLIFDPKKE DPGQDVVDLDFFTQEPLHLVSPSFLSVTIDANLATDPRFLILLGSPKLRTLARGLSPAYLRFGGTKTDFLIFDPKKE B ? # 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 PRO n 1 3 GLY n 1 4 LYS n 1 5 LYS n 1 6 PHE n 1 7 LYS n 1 8 ASN n 1 9 SER n 1 10 THR n 1 11 TYR n 1 12 SER n 1 13 ARG n 1 14 SER n 1 15 SER n 1 16 VAL n 1 17 ASP n 1 18 VAL n 1 19 LEU n 1 20 TYR n 1 21 THR n 1 22 PHE n 1 23 ALA n 1 24 ASN n 1 25 CYS n 1 26 SER n 1 27 GLY n 1 28 LEU n 1 29 ASP n 1 30 LEU n 1 31 ILE n 1 32 PHE n 1 33 GLY n 1 34 LEU n 1 35 ASN n 1 36 ALA n 1 37 LEU n 1 38 LEU n 1 39 ARG n 1 40 THR n 1 41 ALA n 1 42 ASP n 1 43 LEU n 1 44 GLN n 1 45 TRP n 1 46 ASN n 1 47 SER n 1 48 SER n 1 49 ASN n 1 50 ALA n 1 51 GLN n 1 52 LEU n 1 53 LEU n 1 54 LEU n 1 55 ASP n 1 56 TYR n 1 57 CYS n 1 58 SER n 1 59 SER n 1 60 LYS n 1 61 GLY n 1 62 TYR n 1 63 ASN n 1 64 ILE n 1 65 SER n 1 66 TRP n 1 67 GLU n 1 68 LEU n 1 69 GLY n 1 70 ASN n 1 71 GLU n 1 72 PRO n 1 73 ASN n 1 74 SER n 1 75 PHE n 1 76 LEU n 1 77 LYS n 1 78 LYS n 1 79 ALA n 1 80 ASP n 1 81 ILE n 1 82 PHE n 1 83 ILE n 1 84 ASN n 1 85 GLY n 1 86 SER n 1 87 GLN n 1 88 LEU n 1 89 GLY n 1 90 GLU n 1 91 ASP n 1 92 PHE n 1 93 ILE n 1 94 GLN n 1 95 LEU n 1 96 HIS n 1 97 LYS n 1 98 LEU n 1 99 LEU n 1 100 ARG n 1 101 LYS n 1 102 SER n 1 103 THR n 1 104 PHE n 1 105 LYS n 1 106 ASN n 1 107 ALA n 1 108 LYS n 1 109 LEU n 1 110 TYR n 1 111 GLY n 1 112 PRO n 1 113 ASP n 1 114 VAL n 1 115 GLY n 1 116 GLN n 1 117 PRO n 1 118 ARG n 1 119 ARG n 1 120 LYS n 1 121 THR n 1 122 ALA n 1 123 LYS n 1 124 MET n 1 125 LEU n 1 126 LYS n 1 127 SER n 1 128 PHE n 1 129 LEU n 1 130 LYS n 1 131 ALA n 1 132 GLY n 1 133 GLY n 1 134 GLU n 1 135 VAL n 1 136 ILE n 1 137 ASP n 1 138 SER n 1 139 VAL n 1 140 THR n 1 141 TRP n 1 142 HIS n 1 143 HIS n 1 144 TYR n 1 145 TYR n 1 146 LEU n 1 147 ASN n 1 148 GLY n 1 149 ARG n 1 150 THR n 1 151 ALA n 1 152 THR n 1 153 ARG n 1 154 GLU n 1 155 ASP n 1 156 PHE n 1 157 LEU n 1 158 ASN n 1 159 PRO n 1 160 ASP n 1 161 VAL n 1 162 LEU n 1 163 ASP n 1 164 ILE n 1 165 PHE n 1 166 ILE n 1 167 SER n 1 168 SER n 1 169 VAL n 1 170 GLN n 1 171 LYS n 1 172 VAL n 1 173 PHE n 1 174 GLN n 1 175 VAL n 1 176 VAL n 1 177 GLU n 1 178 SER n 1 179 THR n 1 180 ARG n 1 181 PRO n 1 182 GLY n 1 183 LYS n 1 184 LYS n 1 185 VAL n 1 186 TRP n 1 187 LEU n 1 188 GLY n 1 189 GLU n 1 190 THR n 1 191 SER n 1 192 SER n 1 193 ALA n 1 194 TYR n 1 195 GLY n 1 196 GLY n 1 197 GLY n 1 198 ALA n 1 199 PRO n 1 200 LEU n 1 201 LEU n 1 202 SER n 1 203 ASP n 1 204 THR n 1 205 PHE n 1 206 ALA n 1 207 ALA n 1 208 GLY n 1 209 PHE n 1 210 MET n 1 211 TRP n 1 212 LEU n 1 213 ASP n 1 214 LYS n 1 215 LEU n 1 216 GLY n 1 217 LEU n 1 218 SER n 1 219 ALA n 1 220 ARG n 1 221 MET n 1 222 GLY n 1 223 ILE n 1 224 GLU n 1 225 VAL n 1 226 VAL n 1 227 MET n 1 228 ARG n 1 229 GLN n 1 230 VAL n 1 231 PHE n 1 232 PHE n 1 233 GLY n 1 234 ALA n 1 235 GLY n 1 236 ASN n 1 237 TYR n 1 238 HIS n 1 239 LEU n 1 240 VAL n 1 241 ASP n 1 242 GLU n 1 243 ASN n 1 244 PHE n 1 245 ASP n 1 246 PRO n 1 247 LEU n 1 248 PRO n 1 249 ASP n 1 250 TYR n 1 251 TRP n 1 252 LEU n 1 253 SER n 1 254 LEU n 1 255 LEU n 1 256 PHE n 1 257 LYS n 1 258 LYS n 1 259 LEU n 1 260 VAL n 1 261 GLY n 1 262 THR n 1 263 LYS n 1 264 VAL n 1 265 LEU n 1 266 MET n 1 267 ALA n 1 268 SER n 1 269 VAL n 1 270 GLN n 1 271 GLY n 1 272 SER n 1 273 LYS n 1 274 ARG n 1 275 ARG n 1 276 LYS n 1 277 LEU n 1 278 ARG n 1 279 VAL n 1 280 TYR n 1 281 LEU n 1 282 HIS n 1 283 CYS n 1 284 THR n 1 285 ASN n 1 286 THR n 1 287 ASP n 1 288 ASN n 1 289 PRO n 1 290 ARG n 1 291 TYR n 1 292 LYS n 1 293 GLU n 1 294 GLY n 1 295 ASP n 1 296 LEU n 1 297 THR n 1 298 LEU n 1 299 TYR n 1 300 ALA n 1 301 ILE n 1 302 ASN n 1 303 LEU n 1 304 HIS n 1 305 ASN n 1 306 VAL n 1 307 THR n 1 308 LYS n 1 309 TYR n 1 310 LEU n 1 311 ARG n 1 312 LEU n 1 313 PRO n 1 314 TYR n 1 315 PRO n 1 316 PHE n 1 317 SER n 1 318 ASN n 1 319 LYS n 1 320 GLN n 1 321 VAL n 1 322 ASP n 1 323 LYS n 1 324 TYR n 1 325 LEU n 1 326 LEU n 1 327 ARG n 1 328 PRO n 1 329 LEU n 1 330 GLY n 1 331 PRO n 1 332 HIS n 1 333 GLY n 1 334 LEU n 1 335 LEU n 1 336 SER n 1 337 LYS n 1 338 SER n 1 339 VAL n 1 340 GLN n 1 341 LEU n 1 342 ASN n 1 343 GLY n 1 344 LEU n 1 345 THR n 1 346 LEU n 1 347 LYS n 1 348 MET n 1 349 VAL n 1 350 ASP n 1 351 ASP n 1 352 GLN n 1 353 THR n 1 354 LEU n 1 355 PRO n 1 356 PRO n 1 357 LEU n 1 358 MET n 1 359 GLU n 1 360 LYS n 1 361 PRO n 1 362 LEU n 1 363 ARG n 1 364 PRO n 1 365 GLY n 1 366 SER n 1 367 SER n 1 368 LEU n 1 369 GLY n 1 370 LEU n 1 371 PRO n 1 372 ALA n 1 373 PHE n 1 374 SER n 1 375 TYR n 1 376 SER n 1 377 PHE n 1 378 PHE n 1 379 VAL n 1 380 ILE n 1 381 ARG n 1 382 ASN n 1 383 ALA n 1 384 LYS n 1 385 VAL n 1 386 ALA n 1 387 ALA n 1 388 CYS n 1 389 ILE n 2 1 ASP n 2 2 PRO n 2 3 GLY n 2 4 GLN n 2 5 ASP n 2 6 VAL n 2 7 VAL n 2 8 ASP n 2 9 LEU n 2 10 ASP n 2 11 PHE n 2 12 PHE n 2 13 THR n 2 14 GLN n 2 15 GLU n 2 16 PRO n 2 17 LEU n 2 18 HIS n 2 19 LEU n 2 20 VAL n 2 21 SER n 2 22 PRO n 2 23 SER n 2 24 PHE n 2 25 LEU n 2 26 SER n 2 27 VAL n 2 28 THR n 2 29 ILE n 2 30 ASP n 2 31 ALA n 2 32 ASN n 2 33 LEU n 2 34 ALA n 2 35 THR n 2 36 ASP n 2 37 PRO n 2 38 ARG n 2 39 PHE n 2 40 LEU n 2 41 ILE n 2 42 LEU n 2 43 LEU n 2 44 GLY n 2 45 SER n 2 46 PRO n 2 47 LYS n 2 48 LEU n 2 49 ARG n 2 50 THR n 2 51 LEU n 2 52 ALA n 2 53 ARG n 2 54 GLY n 2 55 LEU n 2 56 SER n 2 57 PRO n 2 58 ALA n 2 59 TYR n 2 60 LEU n 2 61 ARG n 2 62 PHE n 2 63 GLY n 2 64 GLY n 2 65 THR n 2 66 LYS n 2 67 THR n 2 68 ASP n 2 69 PHE n 2 70 LEU n 2 71 ILE n 2 72 PHE n 2 73 ASP n 2 74 PRO n 2 75 LYS n 2 76 LYS n 2 77 GLU n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _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 _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _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 _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 1 1 sample 'Biological sequence' 1 389 Human ? 'HPSE, HEP, HPA, HPA1, HPR1, HPSE1, HSE1' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? 'Cabbage looper' 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 77 Human ? 'HPSE, HEP, HPA, HPA1, HPR1, HPSE1, HSE1' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? 'Cabbage looper' 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP HPSE_HUMAN Q9Y251 ? 1 ;KKFKNSTYSRSSVDVLYTFANCSGLDLIFGLNALLRTADLQWNSSNAQLLLDYCSSKGYNISWELGNEPNSFLKKADIFI NGSQLGEDFIQLHKLLRKSTFKNAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYLNGRTATKEDFLNPDVLD IFISSVQKVFQVVESTRPGKKVWLGETSSAYGGGAPLLSDTFAAGFMWLDKLGLSARMGIEVVMRQVFFGAGNYHLVDEN FDPLPDYWLSLLFKKLVGTKVLMASVQGSKRRKLRVYLHCTNTDNPRYKEGDLTLYAINLHNVTKYLRLPYPFSNKQVDK YLLRPLGPHGLLSKSVQLNGLTLKMVDDQTLPPLMEKPLRPGSSLGLPAFSYSFFVIRNAKVAACI ; 158 2 UNP HPSE_HUMAN Q9Y251 ? 2 QDVVDLDFFTQEPLHLVSPSFLSVTIDANLATDPRFLILLGSPKLRTLARGLSPAYLRFGGTKTDFLIFDPKKE 36 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5E8M A 4 ? 389 ? Q9Y251 158 ? 543 ? 158 543 2 2 5E8M B 4 ? 77 ? Q9Y251 36 ? 109 ? 1 74 # 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 5E8M ASP A 1 ? UNP Q9Y251 ? ? 'expression tag' 155 1 1 5E8M PRO A 2 ? UNP Q9Y251 ? ? 'expression tag' 156 2 1 5E8M GLY A 3 ? UNP Q9Y251 ? ? 'expression tag' 157 3 1 5E8M ARG A 153 ? UNP Q9Y251 LYS 307 variant 307 4 2 5E8M ASP B 1 ? UNP Q9Y251 ? ? 'expression tag' -2 5 2 5E8M PRO B 2 ? UNP Q9Y251 ? ? 'expression tag' -1 6 2 5E8M GLY B 3 ? UNP Q9Y251 ? ? 'expression tag' 0 7 # 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 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 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 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5E8M _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.54 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 52 _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, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 5.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1 M MES pH 5.5, 0.1 M MgCl2, 17% PEG3350' _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 PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-01-25 # _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 0.920 _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 'DIAMOND BEAMLINE I02' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.920 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline I02 _diffrn_source.pdbx_synchrotron_site Diamond # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5E8M _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.75 _reflns.d_resolution_low 46.64 _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 49329 _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 100 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.2 _reflns.pdbx_Rmerge_I_obs 0.05 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 12 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.75 _reflns_shell.d_res_low 1.78 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 1.7 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 99.8 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.847 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 4.1 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] 3.26 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 1.55 _refine.aniso_B[2][2] -2.58 _refine.aniso_B[2][3] -0.00 _refine.aniso_B[3][3] -0.90 _refine.B_iso_max ? _refine.B_iso_mean 37.357 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.974 _refine.correlation_coeff_Fo_to_Fc_free 0.963 _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5E8M _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.75 _refine.ls_d_res_low 46.64 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 217940 _refine.ls_number_reflns_R_free 2647 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 100 _refine.ls_percent_reflns_R_free 5.1 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.16596 _refine.ls_R_factor_R_free 0.19989 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.16411 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details MASK _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct SIRAS _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.102 _refine.pdbx_overall_ESU_R_Free 0.102 _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 2.889 _refine.overall_SU_ML 0.086 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 3643 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 143 _refine_hist.number_atoms_solvent 249 _refine_hist.number_atoms_total 4035 _refine_hist.d_res_high 1.75 _refine_hist.d_res_low 46.64 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.015 0.019 3892 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.002 0.020 3784 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.735 2.004 5245 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 0.987 3.000 8718 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 6.389 5.000 463 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 37.818 23.500 160 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 13.567 15.000 656 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 13.188 15.000 22 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.104 0.200 590 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.009 0.021 4239 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.001 0.020 879 ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? 2.859 3.336 1849 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 2.859 3.334 1848 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 3.879 4.987 2313 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 3.878 4.989 2314 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 3.790 3.941 2043 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 3.789 3.941 2043 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 5.680 5.698 2933 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 7.270 28.041 4366 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 7.269 28.046 4367 ? r_long_range_B_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 1.750 _refine_ls_shell.d_res_low 1.795 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 208 _refine_ls_shell.number_reflns_R_work 3602 _refine_ls_shell.percent_reflns_obs 99.84 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.299 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.304 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5E8M _struct.title 'Crystal structure of human heparanase' _struct.pdbx_descriptor 'Heparanase (E.C.3.2.1.166)' _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 5E8M _struct_keywords.text 'glycoside hydrolase, apo, protein, sugar, 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 3 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 3 ? H N N 4 ? I N N 5 ? J N N 5 ? K N N 5 ? L N N 5 ? 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 5 ? T N N 5 ? U N N 5 ? V N N 5 ? W N N 6 ? X N N 6 ? Y N N 6 ? Z N N 5 ? AA N N 7 ? BA 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 SER A 12 ? SER A 26 ? SER A 166 SER A 180 1 ? 15 HELX_P HELX_P2 AA2 SER A 47 ? LYS A 60 ? SER A 201 LYS A 214 1 ? 14 HELX_P HELX_P3 AA3 GLU A 71 ? ASN A 73 ? GLU A 225 ASN A 227 5 ? 3 HELX_P HELX_P4 AA4 SER A 74 ? ASP A 80 ? SER A 228 ASP A 234 1 ? 7 HELX_P HELX_P5 AA5 ASN A 84 ? LYS A 101 ? ASN A 238 LYS A 255 1 ? 18 HELX_P HELX_P6 AA6 ARG A 118 ? GLY A 133 ? ARG A 272 GLY A 287 1 ? 16 HELX_P HELX_P7 AA7 GLU A 134 ? ILE A 136 ? GLU A 288 ILE A 290 5 ? 3 HELX_P HELX_P8 AA8 THR A 152 ? LEU A 157 ? THR A 306 LEU A 311 1 ? 6 HELX_P HELX_P9 AA9 ASN A 158 ? ASP A 163 ? ASN A 312 ASP A 317 1 ? 6 HELX_P HELX_P10 AB1 ASP A 163 ? SER A 178 ? ASP A 317 SER A 332 1 ? 16 HELX_P HELX_P11 AB2 THR A 204 ? ALA A 206 ? THR A 358 ALA A 360 5 ? 3 HELX_P HELX_P12 AB3 ALA A 207 ? GLY A 222 ? ALA A 361 GLY A 376 1 ? 16 HELX_P HELX_P13 AB4 LEU A 247 ? LEU A 259 ? LEU A 401 LEU A 413 1 ? 13 HELX_P HELX_P14 AB5 HIS A 332 ? SER A 336 ? HIS A 486 SER A 490 5 ? 5 HELX_P HELX_P15 AB6 VAL A 385 ? ILE A 389 ? VAL A 539 ILE A 543 5 ? 5 HELX_P HELX_P16 AB7 ASN B 32 ? ASP B 36 ? ASN B 29 ASP B 33 5 ? 5 HELX_P HELX_P17 AB8 ARG B 38 ? GLY B 44 ? ARG B 35 GLY B 41 1 ? 7 HELX_P HELX_P18 AB9 SER B 45 ? LEU B 55 ? SER B 42 LEU B 52 1 ? 11 HELX_P HELX_P19 AC1 GLY B 64 ? ASP B 68 ? GLY B 61 ASP B 65 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 283 SG ? ? ? 1_555 A CYS 388 SG ? ? A CYS 437 A CYS 542 1_555 ? ? ? ? ? ? ? 2.067 ? covale1 covale one ? A ASN 8 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 162 A NAG 601 1_555 ? ? ? ? ? ? ? 1.439 ? covale2 covale one ? A ASN 46 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 200 A NAG 602 1_555 ? ? ? ? ? ? ? 1.448 ? covale3 covale one ? A ASN 63 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 217 A NAG 603 1_555 ? ? ? ? ? ? ? 1.471 ? covale4 covale one ? A ASN 84 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 238 A NAG 604 1_555 ? ? ? ? ? ? ? 1.457 ? covale5 covale one ? A ASN 305 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 459 A NAG 605 1_555 ? ? ? ? ? ? ? 1.467 ? covale6 covale one ? G NAG . O6 ? ? ? 1_555 H FUC . C1 ? ? A NAG 605 A FUC 606 1_555 ? ? ? ? ? ? ? 1.452 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 GLY 111 A . ? GLY 265 A PRO 112 A ? PRO 266 A 1 5.76 2 GLN 229 A . ? GLN 383 A VAL 230 A ? VAL 384 A 1 -5.92 3 TYR 314 A . ? TYR 468 A PRO 315 A ? PRO 469 A 1 0.86 4 GLY 330 A . ? GLY 484 A PRO 331 A ? PRO 485 A 1 9.34 5 SER 56 B . ? SER 53 B PRO 57 B ? PRO 54 B 1 -2.98 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 2 ? AA2 ? 9 ? AA3 ? 4 ? AA4 ? 8 ? AA5 ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? parallel AA2 1 2 ? parallel AA2 2 3 ? parallel AA2 3 4 ? parallel AA2 4 5 ? parallel AA2 5 6 ? parallel AA2 6 7 ? parallel AA2 7 8 ? parallel AA2 8 9 ? parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA4 4 5 ? anti-parallel AA4 5 6 ? anti-parallel AA4 6 7 ? anti-parallel AA4 7 8 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? parallel AA5 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 SER A 9 ? TYR A 11 ? SER A 163 TYR A 165 AA1 2 LEU B 70 ? PHE B 72 ? LEU B 67 PHE B 69 AA2 1 LEU A 28 ? LEU A 34 ? LEU A 182 LEU A 188 AA2 2 SER A 65 ? LEU A 68 ? SER A 219 LEU A 222 AA2 3 LEU A 109 ? VAL A 114 ? LEU A 263 VAL A 268 AA2 4 SER A 138 ? ASN A 147 ? SER A 292 ASN A 301 AA2 5 LYS A 184 ? TYR A 194 ? LYS A 338 TYR A 348 AA2 6 VAL A 225 ? ARG A 228 ? VAL A 379 ARG A 382 AA2 7 LEU B 25 ? ASP B 30 ? LEU B 22 ASP B 27 AA2 8 ALA B 58 ? GLY B 63 ? ALA B 55 GLY B 60 AA2 9 LEU A 28 ? LEU A 34 ? LEU A 182 LEU A 188 AA3 1 LEU A 344 ? THR A 345 ? LEU A 498 THR A 499 AA3 2 VAL A 339 ? LEU A 341 ? VAL A 493 LEU A 495 AA3 3 VAL A 321 ? PRO A 328 ? VAL A 475 PRO A 482 AA3 4 LYS A 360 ? PRO A 361 ? LYS A 514 PRO A 515 AA4 1 LEU A 344 ? THR A 345 ? LEU A 498 THR A 499 AA4 2 VAL A 339 ? LEU A 341 ? VAL A 493 LEU A 495 AA4 3 VAL A 321 ? PRO A 328 ? VAL A 475 PRO A 482 AA4 4 SER A 374 ? ILE A 380 ? SER A 528 ILE A 534 AA4 5 LEU A 296 ? ASN A 302 ? LEU A 450 ASN A 456 AA4 6 LEU A 277 ? THR A 284 ? LEU A 431 THR A 438 AA4 7 VAL A 260 ? VAL A 264 ? VAL A 414 VAL A 418 AA4 8 HIS B 18 ? LEU B 19 ? HIS B 15 LEU B 16 AA5 1 MET A 266 ? VAL A 269 ? MET A 420 VAL A 423 AA5 2 VAL B 6 ? PHE B 12 ? VAL B 3 PHE B 9 AA5 3 LYS A 308 ? ARG A 311 ? LYS A 462 ARG A 465 AA5 4 LEU A 368 ? LEU A 370 ? LEU A 522 LEU A 524 # 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 N SER A 9 ? N SER A 163 O ILE B 71 ? O ILE B 68 AA2 1 2 N LEU A 34 ? N LEU A 188 O GLU A 67 ? O GLU A 221 AA2 2 3 N TRP A 66 ? N TRP A 220 O TYR A 110 ? O TYR A 264 AA2 3 4 N VAL A 114 ? N VAL A 268 O HIS A 142 ? O HIS A 296 AA2 4 5 N VAL A 139 ? N VAL A 293 O TRP A 186 ? O TRP A 340 AA2 5 6 N LEU A 187 ? N LEU A 341 O VAL A 225 ? O VAL A 379 AA2 6 7 N VAL A 226 ? N VAL A 380 O SER B 26 ? O SER B 23 AA2 7 8 N ILE B 29 ? N ILE B 26 O ARG B 61 ? O ARG B 58 AA2 8 9 O PHE B 62 ? O PHE B 59 N ILE A 31 ? N ILE A 185 AA3 1 2 O LEU A 344 ? O LEU A 498 N LEU A 341 ? N LEU A 495 AA3 2 3 O GLN A 340 ? O GLN A 494 N ARG A 327 ? N ARG A 481 AA3 3 4 N LYS A 323 ? N LYS A 477 O LYS A 360 ? O LYS A 514 AA4 1 2 O LEU A 344 ? O LEU A 498 N LEU A 341 ? N LEU A 495 AA4 2 3 O GLN A 340 ? O GLN A 494 N ARG A 327 ? N ARG A 481 AA4 3 4 N TYR A 324 ? N TYR A 478 O PHE A 377 ? O PHE A 531 AA4 4 5 O PHE A 378 ? O PHE A 532 N LEU A 298 ? N LEU A 452 AA4 5 6 O THR A 297 ? O THR A 451 N HIS A 282 ? N HIS A 436 AA4 6 7 O CYS A 283 ? O CYS A 437 N GLY A 261 ? N GLY A 415 AA4 7 8 N VAL A 264 ? N VAL A 418 O HIS B 18 ? O HIS B 15 AA5 1 2 N SER A 268 ? N SER A 422 O ASP B 10 ? O ASP B 7 AA5 2 3 O VAL B 7 ? O VAL B 4 N TYR A 309 ? N TYR A 463 AA5 3 4 N LEU A 310 ? N LEU A 464 O LEU A 368 ? O LEU A 522 # 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 EDO 607 ? 8 'binding site for residue EDO A 607' AC2 Software A EDO 608 ? 7 'binding site for residue EDO A 608' AC3 Software A EDO 609 ? 7 'binding site for residue EDO A 609' AC4 Software A EDO 610 ? 7 'binding site for residue EDO A 610' AC5 Software A EDO 611 ? 4 'binding site for residue EDO A 611' AC6 Software A EDO 612 ? 7 'binding site for residue EDO A 612' AC7 Software A EDO 613 ? 1 'binding site for residue EDO A 613' AC8 Software A EDO 614 ? 4 'binding site for residue EDO A 614' AC9 Software A EDO 615 ? 3 'binding site for residue EDO A 615' AD1 Software A EDO 616 ? 2 'binding site for residue EDO A 616' AD2 Software A EDO 617 ? 1 'binding site for residue EDO A 617' AD3 Software A EDO 618 ? 3 'binding site for residue EDO A 618' AD4 Software A EDO 619 ? 3 'binding site for residue EDO A 619' AD5 Software A EDO 620 ? 4 'binding site for residue EDO A 620' AD6 Software A CL 621 ? 1 'binding site for residue CL A 621' AD7 Software A CL 622 ? 3 'binding site for residue CL A 622' AD8 Software A CL 623 ? 2 'binding site for residue CL A 623' AD9 Software B EDO 101 ? 5 'binding site for residue EDO B 101' AE1 Software A NAG 601 ? 3 'binding site for Mono-Saccharide NAG A 601 bound to ASN A 162' AE2 Software A NAG 602 ? 5 'binding site for Mono-Saccharide NAG A 602 bound to ASN A 200' AE3 Software A NAG 603 ? 3 'binding site for Mono-Saccharide NAG A 603 bound to ASN A 217' AE4 Software A NAG 604 ? 6 'binding site for Mono-Saccharide NAG A 604 bound to ASN A 238' AE5 Software A ASN 459 ? 8 'binding site for Poly-Saccharide residues NAG A 605 through FUC A 606 bound to ASN A 459' # 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 8 TYR A 20 ? TYR A 174 . ? 1_555 ? 2 AC1 8 ASN A 24 ? ASN A 178 . ? 1_555 ? 3 AC1 8 LEU A 28 ? LEU A 182 . ? 1_555 ? 4 AC1 8 ASP A 29 ? ASP A 183 . ? 1_555 ? 5 AC1 8 LEU A 30 ? LEU A 184 . ? 1_555 ? 6 AC1 8 ASN A 63 ? ASN A 217 . ? 1_555 ? 7 AC1 8 HOH AA . ? HOH A 729 . ? 1_555 ? 8 AC1 8 HOH AA . ? HOH A 789 . ? 1_555 ? 9 AC2 7 ASN A 70 ? ASN A 224 . ? 1_555 ? 10 AC2 7 GLU A 71 ? GLU A 225 . ? 1_555 ? 11 AC2 7 GLU A 189 ? GLU A 343 . ? 1_555 ? 12 AC2 7 HOH AA . ? HOH A 741 . ? 1_555 ? 13 AC2 7 ASP B 30 ? ASP B 27 . ? 1_555 ? 14 AC2 7 GLY B 64 ? GLY B 61 . ? 1_555 ? 15 AC2 7 THR B 65 ? THR B 62 . ? 1_555 ? 16 AC3 7 VAL A 260 ? VAL A 414 . ? 1_555 ? 17 AC3 7 GLY A 261 ? GLY A 415 . ? 1_555 ? 18 AC3 7 THR A 262 ? THR A 416 . ? 1_555 ? 19 AC3 7 EDO N . ? EDO A 612 . ? 1_555 ? 20 AC3 7 HOH AA . ? HOH A 704 . ? 1_555 ? 21 AC3 7 HOH AA . ? HOH A 711 . ? 1_555 ? 22 AC3 7 HOH BA . ? HOH B 228 . ? 1_555 ? 23 AC4 7 ARG A 278 ? ARG A 432 . ? 1_555 ? 24 AC4 7 VAL A 279 ? VAL A 433 . ? 1_555 ? 25 AC4 7 TYR A 280 ? TYR A 434 . ? 1_555 ? 26 AC4 7 HOH AA . ? HOH A 726 . ? 1_555 ? 27 AC4 7 HOH AA . ? HOH A 728 . ? 1_555 ? 28 AC4 7 HOH AA . ? HOH A 815 . ? 1_555 ? 29 AC4 7 HOH AA . ? HOH A 836 . ? 1_555 ? 30 AC5 4 ARG A 220 ? ARG A 374 . ? 1_555 ? 31 AC5 4 LEU B 17 ? LEU B 14 . ? 1_555 ? 32 AC5 4 HOH BA . ? HOH B 204 . ? 1_555 ? 33 AC5 4 HOH BA . ? HOH B 222 . ? 1_555 ? 34 AC6 7 GLY A 261 ? GLY A 415 . ? 1_555 ? 35 AC6 7 THR A 262 ? THR A 416 . ? 1_555 ? 36 AC6 7 ASN A 285 ? ASN A 439 . ? 1_555 ? 37 AC6 7 THR A 286 ? THR A 440 . ? 1_555 ? 38 AC6 7 ASP A 287 ? ASP A 441 . ? 1_555 ? 39 AC6 7 EDO K . ? EDO A 609 . ? 1_555 ? 40 AC6 7 HOH AA . ? HOH A 826 . ? 1_555 ? 41 AC7 1 GLU A 71 ? GLU A 225 . ? 1_555 ? 42 AC8 4 ASP A 245 ? ASP A 399 . ? 1_555 ? 43 AC8 4 PRO A 246 ? PRO A 400 . ? 1_555 ? 44 AC8 4 LYS A 337 ? LYS A 491 . ? 1_555 ? 45 AC8 4 HOH AA . ? HOH A 838 . ? 1_555 ? 46 AC9 3 GLU A 177 ? GLU A 331 . ? 1_555 ? 47 AC9 3 PRO A 181 ? PRO A 335 . ? 1_555 ? 48 AC9 3 HOH AA . ? HOH A 773 . ? 1_555 ? 49 AD1 2 LYS A 97 ? LYS A 251 . ? 1_555 ? 50 AD1 2 LYS A 101 ? LYS A 255 . ? 1_555 ? 51 AD2 1 HOH AA . ? HOH A 866 . ? 1_555 ? 52 AD3 3 ARG A 327 ? ARG A 481 . ? 1_555 ? 53 AD3 3 ALA A 372 ? ALA A 526 . ? 1_555 ? 54 AD3 3 HOH AA . ? HOH A 782 . ? 1_555 ? 55 AD4 3 LYS A 273 ? LYS A 427 . ? 1_555 ? 56 AD4 3 LYS A 308 ? LYS A 462 . ? 1_555 ? 57 AD4 3 FUC H . ? FUC A 606 . ? 1_555 ? 58 AD5 4 SER A 58 ? SER A 212 . ? 1_555 ? 59 AD5 4 TYR A 62 ? TYR A 216 . ? 1_555 ? 60 AD5 4 TRP A 66 ? TRP A 220 . ? 1_555 ? 61 AD5 4 SER A 102 ? SER A 256 . ? 1_555 ? 62 AD6 1 GLN A 116 ? GLN A 270 . ? 1_555 ? 63 AD7 3 ALA A 234 ? ALA A 388 . ? 1_555 ? 64 AD7 3 HOH BA . ? HOH B 238 . ? 1_555 ? 65 AD7 3 HOH BA . ? HOH B 245 . ? 1_555 ? 66 AD8 2 GLY A 85 ? GLY A 239 . ? 1_555 ? 67 AD8 2 MET A 124 ? MET A 278 . ? 1_555 ? 68 AD9 5 CYS A 25 ? CYS A 179 . ? 1_555 ? 69 AD9 5 PRO B 46 ? PRO B 43 . ? 1_555 ? 70 AD9 5 ARG B 49 ? ARG B 46 . ? 1_555 ? 71 AD9 5 ARG B 53 ? ARG B 50 . ? 1_555 ? 72 AD9 5 HOH BA . ? HOH B 202 . ? 1_555 ? 73 AE1 3 ASN A 8 ? ASN A 162 . ? 1_555 ? 74 AE1 3 HOH AA . ? HOH A 731 . ? 1_555 ? 75 AE1 3 HOH AA . ? HOH A 774 . ? 1_555 ? 76 AE2 5 ASN A 46 ? ASN A 200 . ? 1_555 ? 77 AE2 5 SER A 48 ? SER A 202 . ? 1_555 ? 78 AE2 5 HOH AA . ? HOH A 701 . ? 1_555 ? 79 AE2 5 HOH AA . ? HOH A 723 . ? 1_555 ? 80 AE2 5 HOH AA . ? HOH A 783 . ? 1_555 ? 81 AE3 3 ASN A 63 ? ASN A 217 . ? 1_555 ? 82 AE3 3 HOH AA . ? HOH A 713 . ? 1_555 ? 83 AE3 3 HOH AA . ? HOH A 729 . ? 1_555 ? 84 AE4 6 LEU A 43 ? LEU A 197 . ? 1_555 ? 85 AE4 6 ASN A 84 ? ASN A 238 . ? 1_555 ? 86 AE4 6 GLN A 87 ? GLN A 241 . ? 1_555 ? 87 AE4 6 HOH AA . ? HOH A 717 . ? 1_555 ? 88 AE4 6 HOH AA . ? HOH A 768 . ? 1_555 ? 89 AE4 6 HOH AA . ? HOH A 824 . ? 1_555 ? 90 AE5 8 LYS A 276 ? LYS A 430 . ? 1_555 ? 91 AE5 8 HIS A 304 ? HIS A 458 . ? 1_555 ? 92 AE5 8 ASN A 305 ? ASN A 459 . ? 1_555 ? 93 AE5 8 LYS A 308 ? LYS A 462 . ? 1_555 ? 94 AE5 8 EDO U . ? EDO A 619 . ? 1_555 ? 95 AE5 8 HOH AA . ? HOH A 706 . ? 1_555 ? 96 AE5 8 HOH AA . ? HOH A 733 . ? 1_555 ? 97 AE5 8 HOH AA . ? HOH A 845 . ? 1_555 ? # _atom_sites.entry_id 5E8M _atom_sites.fract_transf_matrix[1][1] 0.021384 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.001558 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.014090 _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] 0.012700 _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 CL N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . LYS A 1 5 ? -28.753 20.108 50.725 1.00 80.79 ? 159 LYS A N 1 ATOM 2 C CA . LYS A 1 5 ? -27.871 21.072 51.444 1.00 83.19 ? 159 LYS A CA 1 ATOM 3 C C . LYS A 1 5 ? -26.454 21.111 50.836 1.00 83.62 ? 159 LYS A C 1 ATOM 4 O O . LYS A 1 5 ? -25.868 22.191 50.725 1.00 90.83 ? 159 LYS A O 1 ATOM 5 C CB . LYS A 1 5 ? -27.842 20.757 52.946 1.00 80.91 ? 159 LYS A CB 1 ATOM 6 C CG . LYS A 1 5 ? -26.924 21.675 53.737 1.00 87.43 ? 159 LYS A CG 1 ATOM 7 C CD . LYS A 1 5 ? -27.371 21.852 55.178 1.00 91.48 ? 159 LYS A CD 1 ATOM 8 C CE . LYS A 1 5 ? -26.672 23.051 55.802 1.00 89.37 ? 159 LYS A CE 1 ATOM 9 N NZ . LYS A 1 5 ? -27.096 23.264 57.210 1.00 82.62 ? 159 LYS A NZ 1 ATOM 10 N N . PHE A 1 6 ? -25.915 19.948 50.453 1.00 79.86 ? 160 PHE A N 1 ATOM 11 C CA . PHE A 1 6 ? -24.652 19.868 49.683 1.00 76.27 ? 160 PHE A CA 1 ATOM 12 C C . PHE A 1 6 ? -24.895 19.755 48.168 1.00 65.12 ? 160 PHE A C 1 ATOM 13 O O . PHE A 1 6 ? -25.664 18.912 47.707 1.00 62.49 ? 160 PHE A O 1 ATOM 14 C CB . PHE A 1 6 ? -23.743 18.718 50.183 1.00 77.82 ? 160 PHE A CB 1 ATOM 15 C CG . PHE A 1 6 ? -23.031 19.040 51.472 1.00 78.51 ? 160 PHE A CG 1 ATOM 16 C CD1 . PHE A 1 6 ? -21.797 19.702 51.456 1.00 75.83 ? 160 PHE A CD1 1 ATOM 17 C CD2 . PHE A 1 6 ? -23.617 18.730 52.703 1.00 81.55 ? 160 PHE A CD2 1 ATOM 18 C CE1 . PHE A 1 6 ? -21.153 20.033 52.640 1.00 78.73 ? 160 PHE A CE1 1 ATOM 19 C CE2 . PHE A 1 6 ? -22.981 19.063 53.890 1.00 81.96 ? 160 PHE A CE2 1 ATOM 20 C CZ . PHE A 1 6 ? -21.745 19.715 53.857 1.00 81.12 ? 160 PHE A CZ 1 ATOM 21 N N . LYS A 1 7 ? -24.219 20.612 47.406 1.00 56.49 ? 161 LYS A N 1 ATOM 22 C CA . LYS A 1 7 ? -24.335 20.648 45.953 1.00 59.29 ? 161 LYS A CA 1 ATOM 23 C C . LYS A 1 7 ? -23.027 20.174 45.388 1.00 51.39 ? 161 LYS A C 1 ATOM 24 O O . LYS A 1 7 ? -21.998 20.254 46.060 1.00 52.33 ? 161 LYS A O 1 ATOM 25 C CB . LYS A 1 7 ? -24.572 22.078 45.437 1.00 60.55 ? 161 LYS A CB 1 ATOM 26 C CG . LYS A 1 7 ? -25.756 22.810 46.053 1.00 68.17 ? 161 LYS A CG 1 ATOM 27 C CD . LYS A 1 7 ? -26.047 24.105 45.286 1.00 72.32 ? 161 LYS A CD 1 ATOM 28 C CE . LYS A 1 7 ? -27.433 24.671 45.581 1.00 73.69 ? 161 LYS A CE 1 ATOM 29 N NZ . LYS A 1 7 ? -27.532 25.295 46.935 1.00 72.82 ? 161 LYS A NZ 1 ATOM 30 N N . ASN A 1 8 ? -23.076 19.714 44.144 1.00 45.11 ? 162 ASN A N 1 ATOM 31 C CA . ASN A 1 8 ? -21.905 19.362 43.395 1.00 45.48 ? 162 ASN A CA 1 ATOM 32 C C . ASN A 1 8 ? -21.127 20.620 43.041 1.00 46.03 ? 162 ASN A C 1 ATOM 33 O O . ASN A 1 8 ? -21.716 21.679 42.865 1.00 46.40 ? 162 ASN A O 1 ATOM 34 C CB . ASN A 1 8 ? -22.282 18.625 42.121 1.00 48.81 ? 162 ASN A CB 1 ATOM 35 C CG . ASN A 1 8 ? -22.679 17.170 42.357 1.00 52.44 ? 162 ASN A CG 1 ATOM 36 O OD1 . ASN A 1 8 ? -22.258 16.515 43.323 1.00 47.58 ? 162 ASN A OD1 1 ATOM 37 N ND2 . ASN A 1 8 ? -23.487 16.659 41.442 1.00 51.41 ? 162 ASN A ND2 1 ATOM 38 N N . SER A 1 9 ? -19.799 20.507 43.067 1.00 43.05 ? 163 SER A N 1 ATOM 39 C CA . SER A 1 9 ? -18.890 21.529 42.564 1.00 42.23 ? 163 SER A CA 1 ATOM 40 C C . SER A 1 9 ? -17.828 20.818 41.728 1.00 44.30 ? 163 SER A C 1 ATOM 41 O O . SER A 1 9 ? -17.521 19.637 41.936 1.00 40.77 ? 163 SER A O 1 ATOM 42 C CB . SER A 1 9 ? -18.182 22.309 43.681 1.00 43.84 ? 163 SER A CB 1 ATOM 43 O OG . SER A 1 9 ? -19.038 22.723 44.710 1.00 49.88 ? 163 SER A OG 1 ATOM 44 N N . THR A 1 10 ? -17.241 21.554 40.797 1.00 39.95 ? 164 THR A N 1 ATOM 45 C CA . THR A 1 10 ? -16.174 21.038 39.994 1.00 42.00 ? 164 THR A CA 1 ATOM 46 C C . THR A 1 10 ? -14.866 21.584 40.554 1.00 38.72 ? 164 THR A C 1 ATOM 47 O O . THR A 1 10 ? -14.851 22.631 41.200 1.00 44.02 ? 164 THR A O 1 ATOM 48 C CB . THR A 1 10 ? -16.321 21.493 38.524 1.00 45.02 ? 164 THR A CB 1 ATOM 49 O OG1 . THR A 1 10 ? -16.536 22.913 38.513 1.00 44.29 ? 164 THR A OG1 1 ATOM 50 C CG2 . THR A 1 10 ? -17.480 20.771 37.850 1.00 43.06 ? 164 THR A CG2 1 ATOM 51 N N . TYR A 1 11 ? -13.775 20.890 40.269 1.00 41.07 ? 165 TYR A N 1 ATOM 52 C CA . TYR A 1 11 ? -12.427 21.363 40.552 1.00 38.93 ? 165 TYR A CA 1 ATOM 53 C C . TYR A 1 11 ? -11.567 21.100 39.343 1.00 39.05 ? 165 TYR A C 1 ATOM 54 O O . TYR A 1 11 ? -11.848 20.212 38.550 1.00 41.19 ? 165 TYR A O 1 ATOM 55 C CB . TYR A 1 11 ? -11.820 20.675 41.792 1.00 36.51 ? 165 TYR A CB 1 ATOM 56 C CG . TYR A 1 11 ? -11.726 19.156 41.750 1.00 33.16 ? 165 TYR A CG 1 ATOM 57 C CD1 . TYR A 1 11 ? -12.809 18.356 42.103 1.00 36.03 ? 165 TYR A CD1 1 ATOM 58 C CD2 . TYR A 1 11 ? -10.558 18.521 41.371 1.00 34.36 ? 165 TYR A CD2 1 ATOM 59 C CE1 . TYR A 1 11 ? -12.740 16.960 42.056 1.00 34.66 ? 165 TYR A CE1 1 ATOM 60 C CE2 . TYR A 1 11 ? -10.452 17.133 41.338 1.00 37.22 ? 165 TYR A CE2 1 ATOM 61 C CZ . TYR A 1 11 ? -11.542 16.349 41.683 1.00 34.87 ? 165 TYR A CZ 1 ATOM 62 O OH . TYR A 1 11 ? -11.465 14.973 41.665 1.00 33.24 ? 165 TYR A OH 1 ATOM 63 N N . SER A 1 12 ? -10.471 21.844 39.256 1.00 42.03 ? 166 SER A N 1 ATOM 64 C CA . SER A 1 12 ? -9.619 21.886 38.068 1.00 44.19 ? 166 SER A CA 1 ATOM 65 C C . SER A 1 12 ? -8.291 21.167 38.238 1.00 44.91 ? 166 SER A C 1 ATOM 66 O O . SER A 1 12 ? -7.885 20.859 39.350 1.00 37.19 ? 166 SER A O 1 ATOM 67 C CB . SER A 1 12 ? -9.304 23.348 37.758 1.00 42.15 ? 166 SER A CB 1 ATOM 68 O OG . SER A 1 12 ? -8.612 23.971 38.821 1.00 41.68 ? 166 SER A OG 1 ATOM 69 N N . ARG A 1 13 ? -7.602 20.951 37.121 1.00 40.04 ? 167 ARG A N 1 ATOM 70 C CA . ARG A 1 13 ? -6.195 20.491 37.137 1.00 40.73 ? 167 ARG A CA 1 ATOM 71 C C . ARG A 1 13 ? -5.354 21.388 38.058 1.00 38.94 ? 167 ARG A C 1 ATOM 72 O O . ARG A 1 13 ? -4.555 20.911 38.848 1.00 37.24 ? 167 ARG A O 1 ATOM 73 C CB . ARG A 1 13 ? -5.613 20.483 35.719 1.00 45.19 ? 167 ARG A CB 1 ATOM 74 C CG . ARG A 1 13 ? -6.010 19.275 34.908 1.00 49.07 ? 167 ARG A CG 1 ATOM 75 C CD . ARG A 1 13 ? -5.607 19.425 33.430 1.00 49.56 ? 167 ARG A CD 1 ATOM 76 N NE . ARG A 1 13 ? -6.509 20.383 32.813 1.00 51.71 ? 167 ARG A NE 1 ATOM 77 C CZ . ARG A 1 13 ? -6.177 21.550 32.252 1.00 56.77 ? 167 ARG A CZ 1 ATOM 78 N NH1 . ARG A 1 13 ? -4.921 21.963 32.146 1.00 65.31 ? 167 ARG A NH1 1 ATOM 79 N NH2 . ARG A 1 13 ? -7.132 22.321 31.780 1.00 53.63 ? 167 ARG A NH2 1 ATOM 80 N N . SER A 1 14 ? -5.600 22.686 37.986 1.00 40.55 ? 168 SER A N 1 ATOM 81 C CA . SER A 1 14 ? -4.906 23.677 38.782 1.00 43.06 ? 168 SER A CA 1 ATOM 82 C C . SER A 1 14 ? -5.034 23.407 40.303 1.00 42.29 ? 168 SER A C 1 ATOM 83 O O . SER A 1 14 ? -4.052 23.472 41.013 1.00 42.09 ? 168 SER A O 1 ATOM 84 C CB . SER A 1 14 ? -5.430 25.073 38.429 1.00 46.53 ? 168 SER A CB 1 ATOM 85 O OG . SER A 1 14 ? -5.017 26.044 39.387 1.00 52.20 ? 168 SER A OG 1 ATOM 86 N N . SER A 1 15 ? -6.246 23.164 40.760 1.00 39.29 ? 169 SER A N 1 ATOM 87 C CA . SER A 1 15 ? -6.549 22.794 42.165 1.00 41.20 ? 169 SER A CA 1 ATOM 88 C C . SER A 1 15 ? -5.789 21.539 42.572 1.00 39.33 ? 169 SER A C 1 ATOM 89 O O . SER A 1 15 ? -5.206 21.461 43.669 1.00 39.60 ? 169 SER A O 1 ATOM 90 C CB . SER A 1 15 ? -8.053 22.522 42.330 1.00 42.67 ? 169 SER A CB 1 ATOM 91 O OG . SER A 1 15 ? -8.807 23.678 42.035 1.00 49.90 ? 169 SER A OG 1 ATOM 92 N N . VAL A 1 16 ? -5.792 20.545 41.687 1.00 31.79 ? 170 VAL A N 1 ATOM 93 C CA . VAL A 1 16 ? -5.033 19.325 41.936 1.00 35.47 ? 170 VAL A CA 1 ATOM 94 C C . VAL A 1 16 ? -3.567 19.635 42.080 1.00 37.98 ? 170 VAL A C 1 ATOM 95 O O . VAL A 1 16 ? -2.961 19.159 43.031 1.00 32.98 ? 170 VAL A O 1 ATOM 96 C CB . VAL A 1 16 ? -5.246 18.263 40.850 1.00 35.83 ? 170 VAL A CB 1 ATOM 97 C CG1 . VAL A 1 16 ? -4.361 17.026 41.060 1.00 35.38 ? 170 VAL A CG1 1 ATOM 98 C CG2 . VAL A 1 16 ? -6.719 17.892 40.798 1.00 34.70 ? 170 VAL A CG2 1 ATOM 99 N N . ASP A 1 17 ? -3.001 20.445 41.163 1.00 33.92 ? 171 ASP A N 1 ATOM 100 C CA . ASP A 1 17 ? -1.592 20.806 41.253 1.00 35.65 ? 171 ASP A CA 1 ATOM 101 C C . ASP A 1 17 ? -1.260 21.582 42.533 1.00 31.60 ? 171 ASP A C 1 ATOM 102 O O . ASP A 1 17 ? -0.204 21.377 43.103 1.00 36.06 ? 171 ASP A O 1 ATOM 103 C CB . ASP A 1 17 ? -1.139 21.677 40.057 1.00 38.97 ? 171 ASP A CB 1 ATOM 104 C CG . ASP A 1 17 ? -1.289 20.983 38.698 1.00 39.54 ? 171 ASP A CG 1 ATOM 105 O OD1 . ASP A 1 17 ? -1.245 19.739 38.587 1.00 39.48 ? 171 ASP A OD1 1 ATOM 106 O OD2 . ASP A 1 17 ? -1.421 21.744 37.711 1.00 42.67 ? 171 ASP A OD2 1 ATOM 107 N N . VAL A 1 18 ? -2.152 22.464 42.949 1.00 34.27 ? 172 VAL A N 1 ATOM 108 C CA . VAL A 1 18 ? -1.979 23.248 44.189 1.00 36.28 ? 172 VAL A CA 1 ATOM 109 C C . VAL A 1 18 ? -1.841 22.299 45.392 1.00 35.74 ? 172 VAL A C 1 ATOM 110 O O . VAL A 1 18 ? -0.923 22.405 46.201 1.00 32.43 ? 172 VAL A O 1 ATOM 111 C CB . VAL A 1 18 ? -3.180 24.210 44.407 1.00 40.74 ? 172 VAL A CB 1 ATOM 112 C CG1 . VAL A 1 18 ? -3.274 24.748 45.840 1.00 37.15 ? 172 VAL A CG1 1 ATOM 113 C CG2 . VAL A 1 18 ? -3.083 25.403 43.434 1.00 42.86 ? 172 VAL A CG2 1 ATOM 114 N N . LEU A 1 19 ? -2.792 21.390 45.480 1.00 34.05 ? 173 LEU A N 1 ATOM 115 C CA . LEU A 1 19 ? -2.832 20.403 46.573 1.00 33.37 ? 173 LEU A CA 1 ATOM 116 C C . LEU A 1 19 ? -1.607 19.502 46.577 1.00 31.28 ? 173 LEU A C 1 ATOM 117 O O . LEU A 1 19 ? -0.991 19.276 47.636 1.00 29.60 ? 173 LEU A O 1 ATOM 118 C CB . LEU A 1 19 ? -4.118 19.590 46.424 1.00 32.67 ? 173 LEU A CB 1 ATOM 119 C CG . LEU A 1 19 ? -4.359 18.498 47.448 1.00 34.35 ? 173 LEU A CG 1 ATOM 120 C CD1 . LEU A 1 19 ? -4.467 19.085 48.835 1.00 33.06 ? 173 LEU A CD1 1 ATOM 121 C CD2 . LEU A 1 19 ? -5.637 17.803 47.044 1.00 34.08 ? 173 LEU A CD2 1 ATOM 122 N N . TYR A 1 20 ? -1.254 18.941 45.405 1.00 30.22 ? 174 TYR A N 1 ATOM 123 C CA . TYR A 1 20 ? -0.101 18.081 45.290 1.00 29.13 ? 174 TYR A CA 1 ATOM 124 C C . TYR A 1 20 ? 1.190 18.807 45.646 1.00 30.81 ? 174 TYR A C 1 ATOM 125 O O . TYR A 1 20 ? 2.041 18.258 46.325 1.00 31.21 ? 174 TYR A O 1 ATOM 126 C CB . TYR A 1 20 ? 0.045 17.510 43.860 1.00 30.47 ? 174 TYR A CB 1 ATOM 127 C CG . TYR A 1 20 ? 1.159 16.539 43.808 1.00 31.50 ? 174 TYR A CG 1 ATOM 128 C CD1 . TYR A 1 20 ? 0.932 15.231 44.182 1.00 33.39 ? 174 TYR A CD1 1 ATOM 129 C CD2 . TYR A 1 20 ? 2.466 16.912 43.417 1.00 32.30 ? 174 TYR A CD2 1 ATOM 130 C CE1 . TYR A 1 20 ? 1.944 14.298 44.216 1.00 37.89 ? 174 TYR A CE1 1 ATOM 131 C CE2 . TYR A 1 20 ? 3.505 15.958 43.426 1.00 37.07 ? 174 TYR A CE2 1 ATOM 132 C CZ . TYR A 1 20 ? 3.216 14.644 43.792 1.00 36.77 ? 174 TYR A CZ 1 ATOM 133 O OH . TYR A 1 20 ? 4.116 13.624 43.850 1.00 41.07 ? 174 TYR A OH 1 ATOM 134 N N . THR A 1 21 ? 1.354 20.025 45.154 1.00 28.69 ? 175 THR A N 1 ATOM 135 C CA . THR A 1 21 ? 2.571 20.765 45.422 1.00 31.39 ? 175 THR A CA 1 ATOM 136 C C . THR A 1 21 ? 2.737 21.150 46.890 1.00 30.20 ? 175 THR A C 1 ATOM 137 O O . THR A 1 21 ? 3.852 21.099 47.446 1.00 32.07 ? 175 THR A O 1 ATOM 138 C CB . THR A 1 21 ? 2.634 21.991 44.495 1.00 37.96 ? 175 THR A CB 1 ATOM 139 O OG1 . THR A 1 21 ? 2.941 21.491 43.189 1.00 44.04 ? 175 THR A OG1 1 ATOM 140 C CG2 . THR A 1 21 ? 3.718 22.921 44.891 1.00 43.32 ? 175 THR A CG2 1 ATOM 141 N N . PHE A 1 22 ? 1.626 21.530 47.496 1.00 29.00 ? 176 PHE A N 1 ATOM 142 C CA . PHE A 1 22 ? 1.591 21.752 48.928 1.00 28.96 ? 176 PHE A CA 1 ATOM 143 C C . PHE A 1 22 ? 2.097 20.523 49.689 1.00 27.89 ? 176 PHE A C 1 ATOM 144 O O . PHE A 1 22 ? 3.027 20.635 50.520 1.00 30.83 ? 176 PHE A O 1 ATOM 145 C CB . PHE A 1 22 ? 0.185 22.127 49.373 1.00 30.88 ? 176 PHE A CB 1 ATOM 146 C CG . PHE A 1 22 ? 0.086 22.260 50.860 1.00 32.53 ? 176 PHE A CG 1 ATOM 147 C CD1 . PHE A 1 22 ? 0.629 23.348 51.484 1.00 31.52 ? 176 PHE A CD1 1 ATOM 148 C CD2 . PHE A 1 22 ? -0.479 21.242 51.619 1.00 31.09 ? 176 PHE A CD2 1 ATOM 149 C CE1 . PHE A 1 22 ? 0.626 23.457 52.861 1.00 35.22 ? 176 PHE A CE1 1 ATOM 150 C CE2 . PHE A 1 22 ? -0.506 21.348 52.998 1.00 30.09 ? 176 PHE A CE2 1 ATOM 151 C CZ . PHE A 1 22 ? 0.029 22.465 53.616 1.00 32.23 ? 176 PHE A CZ 1 ATOM 152 N N . ALA A 1 23 ? 1.542 19.345 49.372 1.00 29.48 ? 177 ALA A N 1 ATOM 153 C CA . ALA A 1 23 ? 1.955 18.137 50.046 1.00 30.62 ? 177 ALA A CA 1 ATOM 154 C C . ALA A 1 23 ? 3.436 17.832 49.785 1.00 31.29 ? 177 ALA A C 1 ATOM 155 O O . ALA A 1 23 ? 4.202 17.570 50.714 1.00 30.15 ? 177 ALA A O 1 ATOM 156 C CB . ALA A 1 23 ? 1.070 16.956 49.635 1.00 30.55 ? 177 ALA A CB 1 ATOM 157 N N . ASN A 1 24 ? 3.793 17.761 48.503 1.00 31.53 ? 178 ASN A N 1 ATOM 158 C CA . ASN A 1 24 ? 5.149 17.400 48.084 1.00 36.09 ? 178 ASN A CA 1 ATOM 159 C C . ASN A 1 24 ? 6.192 18.327 48.710 1.00 34.61 ? 178 ASN A C 1 ATOM 160 O O . ASN A 1 24 ? 7.182 17.850 49.306 1.00 37.03 ? 178 ASN A O 1 ATOM 161 C CB . ASN A 1 24 ? 5.251 17.467 46.562 1.00 40.83 ? 178 ASN A CB 1 ATOM 162 C CG . ASN A 1 24 ? 6.488 16.758 46.009 1.00 43.72 ? 178 ASN A CG 1 ATOM 163 O OD1 . ASN A 1 24 ? 6.715 15.578 46.268 1.00 51.19 ? 178 ASN A OD1 1 ATOM 164 N ND2 . ASN A 1 24 ? 7.272 17.468 45.229 1.00 53.42 ? 178 ASN A ND2 1 ATOM 165 N N . CYS A 1 25 ? 5.964 19.639 48.612 1.00 36.00 ? 179 CYS A N 1 ATOM 166 C CA . CYS A 1 25 ? 6.922 20.609 49.175 1.00 41.09 ? 179 CYS A CA 1 ATOM 167 C C . CYS A 1 25 ? 6.973 20.642 50.704 1.00 40.70 ? 179 CYS A C 1 ATOM 168 O O . CYS A 1 25 ? 7.934 21.158 51.274 1.00 37.29 ? 179 CYS A O 1 ATOM 169 C CB . CYS A 1 25 ? 6.647 22.032 48.657 1.00 46.33 ? 179 CYS A CB 1 ATOM 170 S SG . CYS A 1 25 ? 6.857 22.229 46.845 1.00 51.98 ? 179 CYS A SG 1 ATOM 171 N N . SER A 1 26 ? 5.929 20.146 51.372 1.00 35.04 ? 180 SER A N 1 ATOM 172 C CA . SER A 1 26 ? 5.921 20.047 52.831 1.00 35.37 ? 180 SER A CA 1 ATOM 173 C C . SER A 1 26 ? 6.409 18.690 53.383 1.00 33.19 ? 180 SER A C 1 ATOM 174 O O . SER A 1 26 ? 6.382 18.486 54.595 1.00 34.28 ? 180 SER A O 1 ATOM 175 C CB . SER A 1 26 ? 4.510 20.299 53.345 1.00 35.54 ? 180 SER A CB 1 ATOM 176 O OG . SER A 1 26 ? 4.050 21.587 52.941 1.00 40.87 ? 180 SER A OG 1 ATOM 177 N N . GLY A 1 27 ? 6.817 17.764 52.519 1.00 29.90 ? 181 GLY A N 1 ATOM 178 C CA . GLY A 1 27 ? 7.246 16.418 52.874 1.00 29.37 ? 181 GLY A CA 1 ATOM 179 C C . GLY A 1 27 ? 6.088 15.504 53.362 1.00 28.95 ? 181 GLY A C 1 ATOM 180 O O . GLY A 1 27 ? 6.313 14.599 54.164 1.00 30.49 ? 181 GLY A O 1 ATOM 181 N N . LEU A 1 28 ? 4.871 15.764 52.885 1.00 27.96 ? 182 LEU A N 1 ATOM 182 C CA . LEU A 1 28 ? 3.673 15.006 53.294 1.00 29.11 ? 182 LEU A CA 1 ATOM 183 C C . LEU A 1 28 ? 3.250 14.063 52.189 1.00 31.28 ? 182 LEU A C 1 ATOM 184 O O . LEU A 1 28 ? 3.450 14.371 51.034 1.00 28.52 ? 182 LEU A O 1 ATOM 185 C CB . LEU A 1 28 ? 2.540 15.971 53.612 1.00 30.20 ? 182 LEU A CB 1 ATOM 186 C CG . LEU A 1 28 ? 2.892 17.022 54.665 1.00 29.06 ? 182 LEU A CG 1 ATOM 187 C CD1 . LEU A 1 28 ? 1.717 17.910 54.876 1.00 31.64 ? 182 LEU A CD1 1 ATOM 188 C CD2 . LEU A 1 28 ? 3.319 16.321 55.946 1.00 32.45 ? 182 LEU A CD2 1 ATOM 189 N N . ASP A 1 29 ? 2.606 12.947 52.566 1.00 25.61 ? 183 ASP A N 1 ATOM 190 C CA . ASP A 1 29 ? 2.136 11.947 51.610 1.00 27.57 ? 183 ASP A CA 1 ATOM 191 C C . ASP A 1 29 ? 0.643 12.125 51.384 1.00 27.62 ? 183 ASP A C 1 ATOM 192 O O . ASP A 1 29 ? -0.115 11.884 52.298 1.00 24.30 ? 183 ASP A O 1 ATOM 193 C CB . ASP A 1 29 ? 2.454 10.587 52.170 1.00 28.10 ? 183 ASP A CB 1 ATOM 194 C CG . ASP A 1 29 ? 3.954 10.350 52.252 1.00 33.25 ? 183 ASP A CG 1 ATOM 195 O OD1 . ASP A 1 29 ? 4.582 10.464 51.199 1.00 31.79 ? 183 ASP A OD1 1 ATOM 196 O OD2 . ASP A 1 29 ? 4.531 10.117 53.329 1.00 32.97 ? 183 ASP A OD2 1 ATOM 197 N N . LEU A 1 30 ? 0.232 12.495 50.175 1.00 24.95 ? 184 LEU A N 1 ATOM 198 C CA . LEU A 1 30 ? -1.135 12.839 49.867 1.00 25.74 ? 184 LEU A CA 1 ATOM 199 C C . LEU A 1 30 ? -2.025 11.622 49.694 1.00 24.90 ? 184 LEU A C 1 ATOM 200 O O . LEU A 1 30 ? -1.699 10.646 48.965 1.00 24.19 ? 184 LEU A O 1 ATOM 201 C CB . LEU A 1 30 ? -1.209 13.697 48.584 1.00 26.74 ? 184 LEU A CB 1 ATOM 202 C CG . LEU A 1 30 ? -2.567 14.243 48.197 1.00 28.10 ? 184 LEU A CG 1 ATOM 203 C CD1 . LEU A 1 30 ? -3.120 15.189 49.261 1.00 27.90 ? 184 LEU A CD1 1 ATOM 204 C CD2 . LEU A 1 30 ? -2.465 15.044 46.881 1.00 27.65 ? 184 LEU A CD2 1 ATOM 205 N N . ILE A 1 31 ? -3.161 11.675 50.392 1.00 24.02 ? 185 ILE A N 1 ATOM 206 C CA . ILE A 1 31 ? -4.249 10.696 50.229 1.00 23.54 ? 185 ILE A CA 1 ATOM 207 C C . ILE A 1 31 ? -5.456 11.482 49.706 1.00 24.57 ? 185 ILE A C 1 ATOM 208 O O . ILE A 1 31 ? -5.876 12.469 50.341 1.00 24.47 ? 185 ILE A O 1 ATOM 209 C CB . ILE A 1 31 ? -4.628 9.946 51.549 1.00 24.08 ? 185 ILE A CB 1 ATOM 210 C CG1 . ILE A 1 31 ? -3.471 9.214 52.179 1.00 24.79 ? 185 ILE A CG1 1 ATOM 211 C CG2 . ILE A 1 31 ? -5.824 9.026 51.282 1.00 24.07 ? 185 ILE A CG2 1 ATOM 212 C CD1 . ILE A 1 31 ? -3.775 8.771 53.592 1.00 25.96 ? 185 ILE A CD1 1 ATOM 213 N N . PHE A 1 32 ? -5.981 11.110 48.520 1.00 24.56 ? 186 PHE A N 1 ATOM 214 C CA . PHE A 1 32 ? -7.063 11.853 47.861 1.00 24.80 ? 186 PHE A CA 1 ATOM 215 C C . PHE A 1 32 ? -8.360 11.030 47.878 1.00 27.83 ? 186 PHE A C 1 ATOM 216 O O . PHE A 1 32 ? -8.404 9.926 47.366 1.00 26.64 ? 186 PHE A O 1 ATOM 217 C CB . PHE A 1 32 ? -6.688 12.157 46.408 1.00 29.83 ? 186 PHE A CB 1 ATOM 218 C CG . PHE A 1 32 ? -7.581 13.164 45.737 1.00 28.81 ? 186 PHE A CG 1 ATOM 219 C CD1 . PHE A 1 32 ? -8.837 12.791 45.217 1.00 30.94 ? 186 PHE A CD1 1 ATOM 220 C CD2 . PHE A 1 32 ? -7.158 14.457 45.573 1.00 31.21 ? 186 PHE A CD2 1 ATOM 221 C CE1 . PHE A 1 32 ? -9.652 13.712 44.606 1.00 31.23 ? 186 PHE A CE1 1 ATOM 222 C CE2 . PHE A 1 32 ? -7.971 15.387 44.940 1.00 32.41 ? 186 PHE A CE2 1 ATOM 223 C CZ . PHE A 1 32 ? -9.219 15.011 44.458 1.00 34.55 ? 186 PHE A CZ 1 ATOM 224 N N . GLY A 1 33 ? -9.418 11.602 48.452 1.00 27.88 ? 187 GLY A N 1 ATOM 225 C CA . GLY A 1 33 ? -10.724 10.955 48.542 1.00 27.71 ? 187 GLY A CA 1 ATOM 226 C C . GLY A 1 33 ? -11.493 11.158 47.220 1.00 27.08 ? 187 GLY A C 1 ATOM 227 O O . GLY A 1 33 ? -11.771 12.301 46.822 1.00 27.33 ? 187 GLY A O 1 ATOM 228 N N . LEU A 1 34 ? -11.847 10.048 46.583 1.00 27.36 ? 188 LEU A N 1 ATOM 229 C CA . LEU A 1 34 ? -12.646 10.102 45.348 1.00 28.69 ? 188 LEU A CA 1 ATOM 230 C C . LEU A 1 34 ? -14.153 10.131 45.657 1.00 31.32 ? 188 LEU A C 1 ATOM 231 O O . LEU A 1 34 ? -14.609 9.669 46.696 1.00 32.17 ? 188 LEU A O 1 ATOM 232 C CB . LEU A 1 34 ? -12.257 8.931 44.472 1.00 28.22 ? 188 LEU A CB 1 ATOM 233 C CG . LEU A 1 34 ? -10.844 8.957 43.942 1.00 29.36 ? 188 LEU A CG 1 ATOM 234 C CD1 . LEU A 1 34 ? -10.480 7.613 43.335 1.00 33.06 ? 188 LEU A CD1 1 ATOM 235 C CD2 . LEU A 1 34 ? -10.726 10.085 42.916 1.00 32.27 ? 188 LEU A CD2 1 ATOM 236 N N . ASN A 1 35 ? -14.926 10.664 44.727 1.00 30.78 ? 189 ASN A N 1 ATOM 237 C CA . ASN A 1 35 ? -16.390 10.821 44.884 1.00 31.13 ? 189 ASN A CA 1 ATOM 238 C C . ASN A 1 35 ? -17.127 9.512 44.645 1.00 33.59 ? 189 ASN A C 1 ATOM 239 O O . ASN A 1 35 ? -17.112 8.980 43.519 1.00 35.43 ? 189 ASN A O 1 ATOM 240 C CB . ASN A 1 35 ? -16.827 11.910 43.899 1.00 32.52 ? 189 ASN A CB 1 ATOM 241 C CG . ASN A 1 35 ? -18.304 12.243 43.971 1.00 33.43 ? 189 ASN A CG 1 ATOM 242 O OD1 . ASN A 1 35 ? -19.132 11.491 44.476 1.00 34.22 ? 189 ASN A OD1 1 ATOM 243 N ND2 . ASN A 1 35 ? -18.640 13.390 43.452 1.00 35.00 ? 189 ASN A ND2 1 ATOM 244 N N . ALA A 1 36 ? -17.730 8.960 45.692 1.00 30.56 ? 190 ALA A N 1 ATOM 245 C CA . ALA A 1 36 ? -18.420 7.675 45.636 1.00 31.18 ? 190 ALA A CA 1 ATOM 246 C C . ALA A 1 36 ? -19.909 7.777 45.247 1.00 35.88 ? 190 ALA A C 1 ATOM 247 O O . ALA A 1 36 ? -20.529 6.752 45.041 1.00 35.84 ? 190 ALA A O 1 ATOM 248 C CB . ALA A 1 36 ? -18.337 6.980 46.989 1.00 32.27 ? 190 ALA A CB 1 ATOM 249 N N . LEU A 1 37 ? -20.454 8.982 45.148 1.00 33.60 ? 191 LEU A N 1 ATOM 250 C CA . LEU A 1 37 ? -21.836 9.165 44.822 1.00 37.18 ? 191 LEU A CA 1 ATOM 251 C C . LEU A 1 37 ? -22.103 9.290 43.338 1.00 40.30 ? 191 LEU A C 1 ATOM 252 O O . LEU A 1 37 ? -23.216 9.561 42.995 1.00 38.34 ? 191 LEU A O 1 ATOM 253 C CB . LEU A 1 37 ? -22.424 10.374 45.559 1.00 35.48 ? 191 LEU A CB 1 ATOM 254 C CG . LEU A 1 37 ? -22.650 10.161 47.057 1.00 34.95 ? 191 LEU A CG 1 ATOM 255 C CD1 . LEU A 1 37 ? -23.199 11.435 47.653 1.00 38.43 ? 191 LEU A CD1 1 ATOM 256 C CD2 . LEU A 1 37 ? -23.587 9.005 47.368 1.00 36.83 ? 191 LEU A CD2 1 ATOM 257 N N . LEU A 1 38 ? -21.101 9.103 42.485 1.00 39.82 ? 192 LEU A N 1 ATOM 258 C CA . LEU A 1 38 ? -21.288 9.002 41.036 1.00 38.21 ? 192 LEU A CA 1 ATOM 259 C C . LEU A 1 38 ? -21.680 7.547 40.786 1.00 40.35 ? 192 LEU A C 1 ATOM 260 O O . LEU A 1 38 ? -20.877 6.625 41.008 1.00 37.73 ? 192 LEU A O 1 ATOM 261 C CB . LEU A 1 38 ? -19.997 9.377 40.293 1.00 36.71 ? 192 LEU A CB 1 ATOM 262 C CG . LEU A 1 38 ? -19.487 10.783 40.613 1.00 38.38 ? 192 LEU A CG 1 ATOM 263 C CD1 . LEU A 1 38 ? -18.158 11.075 39.931 1.00 37.55 ? 192 LEU A CD1 1 ATOM 264 C CD2 . LEU A 1 38 ? -20.508 11.851 40.266 1.00 41.73 ? 192 LEU A CD2 1 ATOM 265 N N . ARG A 1 39 ? -22.938 7.350 40.373 1.00 39.81 ? 193 ARG A N 1 ATOM 266 C CA . ARG A 1 39 ? -23.583 6.036 40.353 1.00 41.10 ? 193 ARG A CA 1 ATOM 267 C C . ARG A 1 39 ? -24.183 5.720 38.965 1.00 47.29 ? 193 ARG A C 1 ATOM 268 O O . ARG A 1 39 ? -24.688 6.600 38.311 1.00 47.61 ? 193 ARG A O 1 ATOM 269 C CB . ARG A 1 39 ? -24.674 6.006 41.416 1.00 40.91 ? 193 ARG A CB 1 ATOM 270 C CG . ARG A 1 39 ? -24.130 6.032 42.845 1.00 41.81 ? 193 ARG A CG 1 ATOM 271 C CD . ARG A 1 39 ? -23.587 4.654 43.227 1.00 43.07 ? 193 ARG A CD 1 ATOM 272 N NE . ARG A 1 39 ? -22.381 4.692 44.027 1.00 46.79 ? 193 ARG A NE 1 ATOM 273 C CZ . ARG A 1 39 ? -21.783 3.623 44.554 1.00 45.13 ? 193 ARG A CZ 1 ATOM 274 N NH1 . ARG A 1 39 ? -22.284 2.392 44.406 1.00 43.57 ? 193 ARG A NH1 1 ATOM 275 N NH2 . ARG A 1 39 ? -20.668 3.789 45.267 1.00 46.58 ? 193 ARG A NH2 1 ATOM 276 N N . THR A 1 40 ? -24.072 4.478 38.517 1.00 49.73 ? 194 THR A N 1 ATOM 277 C CA . THR A 1 40 ? -24.763 4.030 37.297 1.00 52.06 ? 194 THR A CA 1 ATOM 278 C C . THR A 1 40 ? -26.243 3.790 37.624 1.00 54.52 ? 194 THR A C 1 ATOM 279 O O . THR A 1 40 ? -26.653 3.816 38.793 1.00 50.42 ? 194 THR A O 1 ATOM 280 C CB . THR A 1 40 ? -24.182 2.722 36.797 1.00 48.54 ? 194 THR A CB 1 ATOM 281 O OG1 . THR A 1 40 ? -24.432 1.711 37.773 1.00 53.75 ? 194 THR A OG1 1 ATOM 282 C CG2 . THR A 1 40 ? -22.699 2.816 36.560 1.00 51.93 ? 194 THR A CG2 1 ATOM 283 N N . ALA A 1 41 ? -27.041 3.542 36.585 1.00 63.75 ? 195 ALA A N 1 ATOM 284 C CA . ALA A 1 41 ? -28.474 3.227 36.730 1.00 61.66 ? 195 ALA A CA 1 ATOM 285 C C . ALA A 1 41 ? -28.722 2.098 37.729 1.00 61.58 ? 195 ALA A C 1 ATOM 286 O O . ALA A 1 41 ? -29.536 2.245 38.641 1.00 64.23 ? 195 ALA A O 1 ATOM 287 C CB . ALA A 1 41 ? -29.072 2.873 35.371 1.00 64.31 ? 195 ALA A CB 1 ATOM 288 N N . ASP A 1 42 ? -27.984 0.995 37.601 1.00 59.15 ? 196 ASP A N 1 ATOM 289 C CA . ASP A 1 42 ? -28.067 -0.101 38.589 1.00 62.74 ? 196 ASP A CA 1 ATOM 290 C C . ASP A 1 42 ? -27.326 0.152 39.954 1.00 62.99 ? 196 ASP A C 1 ATOM 291 O O . ASP A 1 42 ? -27.091 -0.775 40.712 1.00 63.50 ? 196 ASP A O 1 ATOM 292 C CB . ASP A 1 42 ? -27.649 -1.446 37.949 1.00 65.28 ? 196 ASP A CB 1 ATOM 293 C CG . ASP A 1 42 ? -26.135 -1.562 37.681 1.00 76.62 ? 196 ASP A CG 1 ATOM 294 O OD1 . ASP A 1 42 ? -25.455 -0.565 37.350 1.00 77.81 ? 196 ASP A OD1 1 ATOM 295 O OD2 . ASP A 1 42 ? -25.612 -2.692 37.781 1.00 83.98 ? 196 ASP A OD2 1 ATOM 296 N N . LEU A 1 43 ? -26.996 1.399 40.271 1.00 60.33 ? 197 LEU A N 1 ATOM 297 C CA . LEU A 1 43 ? -26.367 1.768 41.541 1.00 64.47 ? 197 LEU A CA 1 ATOM 298 C C . LEU A 1 43 ? -24.944 1.189 41.767 1.00 54.50 ? 197 LEU A C 1 ATOM 299 O O . LEU A 1 43 ? -24.533 1.012 42.915 1.00 52.21 ? 197 LEU A O 1 ATOM 300 C CB . LEU A 1 43 ? -27.322 1.415 42.700 1.00 73.01 ? 197 LEU A CB 1 ATOM 301 C CG . LEU A 1 43 ? -27.394 2.346 43.910 1.00 82.42 ? 197 LEU A CG 1 ATOM 302 C CD1 . LEU A 1 43 ? -27.568 3.813 43.522 1.00 83.44 ? 197 LEU A CD1 1 ATOM 303 C CD2 . LEU A 1 43 ? -28.546 1.890 44.801 1.00 84.23 ? 197 LEU A CD2 1 ATOM 304 N N . GLN A 1 44 ? -24.225 0.878 40.679 1.00 47.36 ? 198 GLN A N 1 ATOM 305 C CA . GLN A 1 44 ? -22.797 0.589 40.737 1.00 48.57 ? 198 GLN A CA 1 ATOM 306 C C . GLN A 1 44 ? -22.101 1.939 40.783 1.00 42.77 ? 198 GLN A C 1 ATOM 307 O O . GLN A 1 44 ? -22.624 2.939 40.283 1.00 37.26 ? 198 GLN A O 1 ATOM 308 C CB . GLN A 1 44 ? -22.248 -0.145 39.491 1.00 52.09 ? 198 GLN A CB 1 ATOM 309 C CG . GLN A 1 44 ? -22.619 -1.609 39.266 1.00 58.69 ? 198 GLN A CG 1 ATOM 310 C CD . GLN A 1 44 ? -22.623 -2.440 40.530 1.00 64.29 ? 198 GLN A CD 1 ATOM 311 O OE1 . GLN A 1 44 ? -21.630 -3.094 40.884 1.00 59.75 ? 198 GLN A OE1 1 ATOM 312 N NE2 . GLN A 1 44 ? -23.756 -2.414 41.232 1.00 71.05 ? 198 GLN A NE2 1 ATOM 313 N N . TRP A 1 45 ? -20.893 1.949 41.325 1.00 38.37 ? 199 TRP A N 1 ATOM 314 C CA . TRP A 1 45 ? -20.080 3.147 41.249 1.00 37.88 ? 199 TRP A CA 1 ATOM 315 C C . TRP A 1 45 ? -19.738 3.392 39.776 1.00 36.34 ? 199 TRP A C 1 ATOM 316 O O . TRP A 1 45 ? -19.286 2.491 39.067 1.00 39.63 ? 199 TRP A O 1 ATOM 317 C CB . TRP A 1 45 ? -18.803 3.014 42.139 1.00 38.38 ? 199 TRP A CB 1 ATOM 318 C CG . TRP A 1 45 ? -17.861 4.173 42.051 1.00 33.63 ? 199 TRP A CG 1 ATOM 319 C CD1 . TRP A 1 45 ? -18.154 5.488 42.310 1.00 33.24 ? 199 TRP A CD1 1 ATOM 320 C CD2 . TRP A 1 45 ? -16.470 4.129 41.729 1.00 30.61 ? 199 TRP A CD2 1 ATOM 321 N NE1 . TRP A 1 45 ? -17.034 6.249 42.145 1.00 31.36 ? 199 TRP A NE1 1 ATOM 322 C CE2 . TRP A 1 45 ? -15.989 5.443 41.783 1.00 30.27 ? 199 TRP A CE2 1 ATOM 323 C CE3 . TRP A 1 45 ? -15.584 3.107 41.400 1.00 31.66 ? 199 TRP A CE3 1 ATOM 324 C CZ2 . TRP A 1 45 ? -14.675 5.767 41.484 1.00 30.72 ? 199 TRP A CZ2 1 ATOM 325 C CZ3 . TRP A 1 45 ? -14.273 3.441 41.077 1.00 32.96 ? 199 TRP A CZ3 1 ATOM 326 C CH2 . TRP A 1 45 ? -13.824 4.742 41.160 1.00 31.80 ? 199 TRP A CH2 1 ATOM 327 N N . ASN A 1 46 ? -19.968 4.609 39.316 1.00 36.27 ? 200 ASN A N 1 ATOM 328 C CA . ASN A 1 46 ? -19.470 5.034 38.010 1.00 40.10 ? 200 ASN A CA 1 ATOM 329 C C . ASN A 1 46 ? -18.065 5.621 38.103 1.00 37.54 ? 200 ASN A C 1 ATOM 330 O O . ASN A 1 46 ? -17.857 6.740 38.584 1.00 38.18 ? 200 ASN A O 1 ATOM 331 C CB . ASN A 1 46 ? -20.417 6.038 37.360 1.00 40.97 ? 200 ASN A CB 1 ATOM 332 C CG . ASN A 1 46 ? -20.028 6.363 35.927 1.00 45.18 ? 200 ASN A CG 1 ATOM 333 O OD1 . ASN A 1 46 ? -18.912 6.073 35.503 1.00 38.49 ? 200 ASN A OD1 1 ATOM 334 N ND2 . ASN A 1 46 ? -20.958 6.971 35.177 1.00 49.47 ? 200 ASN A ND2 1 ATOM 335 N N . SER A 1 47 ? -17.106 4.881 37.576 1.00 39.53 ? 201 SER A N 1 ATOM 336 C CA . SER A 1 47 ? -15.702 5.210 37.742 1.00 37.35 ? 201 SER A CA 1 ATOM 337 C C . SER A 1 47 ? -15.111 6.137 36.720 1.00 39.86 ? 201 SER A C 1 ATOM 338 O O . SER A 1 47 ? -13.889 6.344 36.710 1.00 41.55 ? 201 SER A O 1 ATOM 339 C CB . SER A 1 47 ? -14.901 3.928 37.750 1.00 40.71 ? 201 SER A CB 1 ATOM 340 O OG . SER A 1 47 ? -14.815 3.372 36.454 1.00 40.75 ? 201 SER A OG 1 ATOM 341 N N . SER A 1 48 ? -15.942 6.690 35.839 1.00 41.64 ? 202 SER A N 1 ATOM 342 C CA . SER A 1 48 ? -15.428 7.377 34.656 1.00 41.10 ? 202 SER A CA 1 ATOM 343 C C . SER A 1 48 ? -14.789 8.740 35.027 1.00 38.21 ? 202 SER A C 1 ATOM 344 O O . SER A 1 48 ? -13.773 9.110 34.434 1.00 39.61 ? 202 SER A O 1 ATOM 345 C CB . SER A 1 48 ? -16.547 7.532 33.590 1.00 41.53 ? 202 SER A CB 1 ATOM 346 O OG . SER A 1 48 ? -17.428 8.570 33.981 1.00 45.29 ? 202 SER A OG 1 ATOM 347 N N . ASN A 1 49 ? -15.339 9.468 36.002 1.00 37.04 ? 203 ASN A N 1 ATOM 348 C CA . ASN A 1 49 ? -14.705 10.718 36.446 1.00 37.80 ? 203 ASN A CA 1 ATOM 349 C C . ASN A 1 49 ? -13.378 10.434 37.172 1.00 38.51 ? 203 ASN A C 1 ATOM 350 O O . ASN A 1 49 ? -12.360 11.124 36.908 1.00 36.84 ? 203 ASN A O 1 ATOM 351 C CB . ASN A 1 49 ? -15.630 11.556 37.313 1.00 40.87 ? 203 ASN A CB 1 ATOM 352 C CG . ASN A 1 49 ? -15.094 12.985 37.566 1.00 42.42 ? 203 ASN A CG 1 ATOM 353 O OD1 . ASN A 1 49 ? -14.733 13.345 38.698 1.00 39.08 ? 203 ASN A OD1 1 ATOM 354 N ND2 . ASN A 1 49 ? -15.086 13.821 36.509 1.00 39.04 ? 203 ASN A ND2 1 ATOM 355 N N . ALA A 1 50 ? -13.381 9.437 38.077 1.00 34.81 ? 204 ALA A N 1 ATOM 356 C CA . ALA A 1 50 ? -12.111 8.994 38.688 1.00 37.41 ? 204 ALA A CA 1 ATOM 357 C C . ALA A 1 50 ? -11.090 8.630 37.622 1.00 37.70 ? 204 ALA A C 1 ATOM 358 O O . ALA A 1 50 ? -9.908 8.948 37.750 1.00 37.42 ? 204 ALA A O 1 ATOM 359 C CB . ALA A 1 50 ? -12.289 7.815 39.632 1.00 33.14 ? 204 ALA A CB 1 ATOM 360 N N . GLN A 1 51 ? -11.536 7.969 36.552 1.00 37.02 ? 205 GLN A N 1 ATOM 361 C CA . GLN A 1 51 ? -10.600 7.587 35.512 1.00 43.41 ? 205 GLN A CA 1 ATOM 362 C C . GLN A 1 51 ? -9.895 8.808 34.954 1.00 35.71 ? 205 GLN A C 1 ATOM 363 O O . GLN A 1 51 ? -8.680 8.791 34.737 1.00 40.45 ? 205 GLN A O 1 ATOM 364 C CB . GLN A 1 51 ? -11.303 6.758 34.408 1.00 47.59 ? 205 GLN A CB 1 ATOM 365 C CG . GLN A 1 51 ? -10.351 6.075 33.428 1.00 56.24 ? 205 GLN A CG 1 ATOM 366 C CD . GLN A 1 51 ? -9.476 5.028 34.085 1.00 59.88 ? 205 GLN A CD 1 ATOM 367 O OE1 . GLN A 1 51 ? -9.984 4.033 34.586 1.00 76.64 ? 205 GLN A OE1 1 ATOM 368 N NE2 . GLN A 1 51 ? -8.153 5.248 34.097 1.00 55.50 ? 205 GLN A NE2 1 ATOM 369 N N . LEU A 1 52 ? -10.639 9.880 34.757 1.00 38.86 ? 206 LEU A N 1 ATOM 370 C CA . LEU A 1 52 ? -10.052 11.115 34.227 1.00 41.16 ? 206 LEU A CA 1 ATOM 371 C C . LEU A 1 52 ? -8.988 11.671 35.185 1.00 40.31 ? 206 LEU A C 1 ATOM 372 O O . LEU A 1 52 ? -7.882 12.063 34.787 1.00 37.88 ? 206 LEU A O 1 ATOM 373 C CB . LEU A 1 52 ? -11.139 12.165 34.034 1.00 42.79 ? 206 LEU A CB 1 ATOM 374 C CG . LEU A 1 52 ? -12.266 11.889 33.045 1.00 48.73 ? 206 LEU A CG 1 ATOM 375 C CD1 . LEU A 1 52 ? -13.293 13.001 33.187 1.00 46.86 ? 206 LEU A CD1 1 ATOM 376 C CD2 . LEU A 1 52 ? -11.704 11.792 31.620 1.00 50.66 ? 206 LEU A CD2 1 ATOM 377 N N . LEU A 1 53 ? -9.321 11.687 36.474 1.00 36.83 ? 207 LEU A N 1 ATOM 378 C CA . LEU A 1 53 ? -8.354 12.196 37.460 1.00 38.29 ? 207 LEU A CA 1 ATOM 379 C C . LEU A 1 53 ? -7.112 11.360 37.472 1.00 32.83 ? 207 LEU A C 1 ATOM 380 O O . LEU A 1 53 ? -6.032 11.912 37.460 1.00 36.84 ? 207 LEU A O 1 ATOM 381 C CB . LEU A 1 53 ? -8.953 12.235 38.867 1.00 36.26 ? 207 LEU A CB 1 ATOM 382 C CG . LEU A 1 53 ? -8.061 12.854 39.932 1.00 36.07 ? 207 LEU A CG 1 ATOM 383 C CD1 . LEU A 1 53 ? -7.715 14.291 39.593 1.00 31.48 ? 207 LEU A CD1 1 ATOM 384 C CD2 . LEU A 1 53 ? -8.840 12.777 41.238 1.00 33.25 ? 207 LEU A CD2 1 ATOM 385 N N . LEU A 1 54 ? -7.268 10.034 37.493 1.00 37.72 ? 208 LEU A N 1 ATOM 386 C CA . LEU A 1 54 ? -6.113 9.122 37.515 1.00 37.92 ? 208 LEU A CA 1 ATOM 387 C C . LEU A 1 54 ? -5.137 9.326 36.359 1.00 42.49 ? 208 LEU A C 1 ATOM 388 O O . LEU A 1 54 ? -3.912 9.360 36.552 1.00 41.68 ? 208 LEU A O 1 ATOM 389 C CB . LEU A 1 54 ? -6.564 7.658 37.542 1.00 39.61 ? 208 LEU A CB 1 ATOM 390 C CG . LEU A 1 54 ? -7.285 7.078 38.765 1.00 44.83 ? 208 LEU A CG 1 ATOM 391 C CD1 . LEU A 1 54 ? -7.556 5.581 38.610 1.00 46.11 ? 208 LEU A CD1 1 ATOM 392 C CD2 . LEU A 1 54 ? -6.522 7.304 40.054 1.00 44.08 ? 208 LEU A CD2 1 ATOM 393 N N . ASP A 1 55 ? -5.697 9.452 35.154 1.00 46.81 ? 209 ASP A N 1 ATOM 394 C CA . ASP A 1 55 ? -4.921 9.676 33.940 1.00 43.62 ? 209 ASP A CA 1 ATOM 395 C C . ASP A 1 55 ? -4.213 10.992 34.052 1.00 41.50 ? 209 ASP A C 1 ATOM 396 O O . ASP A 1 55 ? -3.023 11.062 33.752 1.00 46.09 ? 209 ASP A O 1 ATOM 397 C CB . ASP A 1 55 ? -5.816 9.683 32.675 1.00 47.23 ? 209 ASP A CB 1 ATOM 398 C CG . ASP A 1 55 ? -6.427 8.307 32.360 1.00 50.84 ? 209 ASP A CG 1 ATOM 399 O OD1 . ASP A 1 55 ? -5.856 7.278 32.775 1.00 56.65 ? 209 ASP A OD1 1 ATOM 400 O OD2 . ASP A 1 55 ? -7.508 8.259 31.721 1.00 56.08 ? 209 ASP A OD2 1 ATOM 401 N N . TYR A 1 56 ? -4.896 12.028 34.533 1.00 39.80 ? 210 TYR A N 1 ATOM 402 C CA . TYR A 1 56 ? -4.233 13.308 34.717 1.00 38.25 ? 210 TYR A CA 1 ATOM 403 C C . TYR A 1 56 ? -3.047 13.194 35.707 1.00 42.60 ? 210 TYR A C 1 ATOM 404 O O . TYR A 1 56 ? -1.947 13.692 35.436 1.00 40.08 ? 210 TYR A O 1 ATOM 405 C CB . TYR A 1 56 ? -5.206 14.428 35.144 1.00 39.20 ? 210 TYR A CB 1 ATOM 406 C CG . TYR A 1 56 ? -4.450 15.733 35.422 1.00 43.00 ? 210 TYR A CG 1 ATOM 407 C CD1 . TYR A 1 56 ? -3.881 16.473 34.369 1.00 46.19 ? 210 TYR A CD1 1 ATOM 408 C CD2 . TYR A 1 56 ? -4.240 16.207 36.738 1.00 39.34 ? 210 TYR A CD2 1 ATOM 409 C CE1 . TYR A 1 56 ? -3.138 17.654 34.601 1.00 42.54 ? 210 TYR A CE1 1 ATOM 410 C CE2 . TYR A 1 56 ? -3.510 17.383 36.988 1.00 38.90 ? 210 TYR A CE2 1 ATOM 411 C CZ . TYR A 1 56 ? -2.954 18.122 35.907 1.00 46.27 ? 210 TYR A CZ 1 ATOM 412 O OH . TYR A 1 56 ? -2.223 19.295 36.102 1.00 40.45 ? 210 TYR A OH 1 ATOM 413 N N . CYS A 1 57 ? -3.282 12.599 36.882 1.00 41.11 ? 211 CYS A N 1 ATOM 414 C CA . CYS A 1 57 ? -2.218 12.485 37.887 1.00 40.84 ? 211 CYS A CA 1 ATOM 415 C C . CYS A 1 57 ? -1.053 11.601 37.365 1.00 41.50 ? 211 CYS A C 1 ATOM 416 O O . CYS A 1 57 ? 0.109 11.903 37.597 1.00 39.94 ? 211 CYS A O 1 ATOM 417 C CB . CYS A 1 57 ? -2.778 11.893 39.215 1.00 37.50 ? 211 CYS A CB 1 ATOM 418 S SG . CYS A 1 57 ? -3.924 13.030 40.011 1.00 36.58 ? 211 CYS A SG 1 ATOM 419 N N . SER A 1 58 ? -1.401 10.498 36.708 1.00 41.43 ? 212 SER A N 1 ATOM 420 C CA . SER A 1 58 ? -0.421 9.618 36.061 1.00 47.23 ? 212 SER A CA 1 ATOM 421 C C . SER A 1 58 ? 0.440 10.405 35.106 1.00 47.81 ? 212 SER A C 1 ATOM 422 O O . SER A 1 58 ? 1.650 10.271 35.163 1.00 47.11 ? 212 SER A O 1 ATOM 423 C CB . SER A 1 58 ? -1.082 8.461 35.315 1.00 50.60 ? 212 SER A CB 1 ATOM 424 O OG . SER A 1 58 ? -1.384 7.404 36.221 1.00 56.37 ? 212 SER A OG 1 ATOM 425 N N . SER A 1 59 ? -0.192 11.272 34.308 1.00 52.80 ? 213 SER A N 1 ATOM 426 C CA . SER A 1 59 ? 0.508 12.127 33.320 1.00 57.07 ? 213 SER A CA 1 ATOM 427 C C . SER A 1 59 ? 1.442 13.169 33.940 1.00 56.10 ? 213 SER A C 1 ATOM 428 O O . SER A 1 59 ? 2.361 13.644 33.267 1.00 51.36 ? 213 SER A O 1 ATOM 429 C CB . SER A 1 59 ? -0.491 12.833 32.366 1.00 55.54 ? 213 SER A CB 1 ATOM 430 O OG . SER A 1 59 ? -1.028 14.024 32.936 1.00 56.36 ? 213 SER A OG 1 ATOM 431 N N . LYS A 1 60 ? 1.207 13.554 35.196 1.00 45.90 ? 214 LYS A N 1 ATOM 432 C CA . LYS A 1 60 ? 2.128 14.467 35.886 1.00 42.21 ? 214 LYS A CA 1 ATOM 433 C C . LYS A 1 60 ? 3.167 13.777 36.746 1.00 38.54 ? 214 LYS A C 1 ATOM 434 O O . LYS A 1 60 ? 4.015 14.462 37.334 1.00 37.71 ? 214 LYS A O 1 ATOM 435 C CB . LYS A 1 60 ? 1.343 15.467 36.734 1.00 46.24 ? 214 LYS A CB 1 ATOM 436 C CG . LYS A 1 60 ? 0.464 16.422 35.943 1.00 52.28 ? 214 LYS A CG 1 ATOM 437 C CD . LYS A 1 60 ? 1.318 17.411 35.169 1.00 56.24 ? 214 LYS A CD 1 ATOM 438 C CE . LYS A 1 60 ? 0.496 18.603 34.720 1.00 66.22 ? 214 LYS A CE 1 ATOM 439 N NZ . LYS A 1 60 ? 1.086 19.332 33.561 1.00 68.22 ? 214 LYS A NZ 1 ATOM 440 N N . GLY A 1 61 ? 3.138 12.450 36.837 1.00 36.84 ? 215 GLY A N 1 ATOM 441 C CA . GLY A 1 61 ? 4.031 11.707 37.711 1.00 36.88 ? 215 GLY A CA 1 ATOM 442 C C . GLY A 1 61 ? 3.746 11.868 39.227 1.00 37.58 ? 215 GLY A C 1 ATOM 443 O O . GLY A 1 61 ? 4.644 11.723 40.058 1.00 40.15 ? 215 GLY A O 1 ATOM 444 N N . TYR A 1 62 ? 2.506 12.168 39.566 1.00 36.53 ? 216 TYR A N 1 ATOM 445 C CA . TYR A 1 62 ? 2.108 12.383 40.977 1.00 34.21 ? 216 TYR A CA 1 ATOM 446 C C . TYR A 1 62 ? 2.033 11.073 41.781 1.00 37.52 ? 216 TYR A C 1 ATOM 447 O O . TYR A 1 62 ? 1.383 10.116 41.361 1.00 42.55 ? 216 TYR A O 1 ATOM 448 C CB . TYR A 1 62 ? 0.764 13.120 41.005 1.00 33.72 ? 216 TYR A CB 1 ATOM 449 C CG . TYR A 1 62 ? 0.821 14.575 40.582 1.00 33.67 ? 216 TYR A CG 1 ATOM 450 C CD1 . TYR A 1 62 ? 2.060 15.294 40.471 1.00 34.96 ? 216 TYR A CD1 1 ATOM 451 C CD2 . TYR A 1 62 ? -0.343 15.252 40.303 1.00 34.74 ? 216 TYR A CD2 1 ATOM 452 C CE1 . TYR A 1 62 ? 2.066 16.620 40.086 1.00 37.02 ? 216 TYR A CE1 1 ATOM 453 C CE2 . TYR A 1 62 ? -0.332 16.582 39.963 1.00 37.11 ? 216 TYR A CE2 1 ATOM 454 C CZ . TYR A 1 62 ? 0.869 17.250 39.839 1.00 37.63 ? 216 TYR A CZ 1 ATOM 455 O OH . TYR A 1 62 ? 0.816 18.574 39.469 1.00 39.49 ? 216 TYR A OH 1 ATOM 456 N N . ASN A 1 63 ? 2.696 11.037 42.936 1.00 38.75 ? 217 ASN A N 1 ATOM 457 C CA . ASN A 1 63 ? 2.688 9.853 43.797 1.00 42.34 ? 217 ASN A CA 1 ATOM 458 C C . ASN A 1 63 ? 1.579 10.043 44.850 1.00 37.07 ? 217 ASN A C 1 ATOM 459 O O . ASN A 1 63 ? 1.774 10.832 45.799 1.00 40.05 ? 217 ASN A O 1 ATOM 460 C CB . ASN A 1 63 ? 4.056 9.653 44.466 1.00 44.87 ? 217 ASN A CB 1 ATOM 461 C CG . ASN A 1 63 ? 4.083 8.413 45.356 1.00 56.88 ? 217 ASN A CG 1 ATOM 462 O OD1 . ASN A 1 63 ? 3.078 7.674 45.426 1.00 59.39 ? 217 ASN A OD1 1 ATOM 463 N ND2 . ASN A 1 63 ? 5.207 8.174 46.049 1.00 62.56 ? 217 ASN A ND2 1 ATOM 464 N N . ILE A 1 64 ? 0.412 9.412 44.635 1.00 34.82 ? 218 ILE A N 1 ATOM 465 C CA . ILE A 1 64 ? -0.809 9.709 45.452 1.00 32.39 ? 218 ILE A CA 1 ATOM 466 C C . ILE A 1 64 ? -1.455 8.393 45.871 1.00 33.76 ? 218 ILE A C 1 ATOM 467 O O . ILE A 1 64 ? -1.435 7.394 45.116 1.00 30.12 ? 218 ILE A O 1 ATOM 468 C CB . ILE A 1 64 ? -1.816 10.590 44.653 1.00 34.28 ? 218 ILE A CB 1 ATOM 469 C CG1 . ILE A 1 64 ? -1.167 11.929 44.248 1.00 35.91 ? 218 ILE A CG1 1 ATOM 470 C CG2 . ILE A 1 64 ? -3.152 10.841 45.391 1.00 35.89 ? 218 ILE A CG2 1 ATOM 471 C CD1 . ILE A 1 64 ? -2.108 12.764 43.392 1.00 39.60 ? 218 ILE A CD1 1 ATOM 472 N N . SER A 1 65 ? -1.978 8.366 47.107 1.00 27.09 ? 219 SER A N 1 ATOM 473 C CA . SER A 1 65 ? -2.838 7.289 47.580 1.00 25.33 ? 219 SER A CA 1 ATOM 474 C C . SER A 1 65 ? -4.282 7.719 47.573 1.00 23.22 ? 219 SER A C 1 ATOM 475 O O . SER A 1 65 ? -4.563 8.912 47.530 1.00 25.50 ? 219 SER A O 1 ATOM 476 C CB . SER A 1 65 ? -2.454 6.878 49.010 1.00 28.23 ? 219 SER A CB 1 ATOM 477 O OG . SER A 1 65 ? -1.119 6.449 49.012 1.00 33.78 ? 219 SER A OG 1 ATOM 478 N N . TRP A 1 66 ? -5.191 6.744 47.638 1.00 23.86 ? 220 TRP A N 1 ATOM 479 C CA . TRP A 1 66 ? -6.592 6.926 47.349 1.00 24.09 ? 220 TRP A CA 1 ATOM 480 C C . TRP A 1 66 ? -7.532 6.432 48.409 1.00 23.60 ? 220 TRP A C 1 ATOM 481 O O . TRP A 1 66 ? -7.239 5.483 49.110 1.00 26.31 ? 220 TRP A O 1 ATOM 482 C CB . TRP A 1 66 ? -6.947 6.262 45.996 1.00 25.89 ? 220 TRP A CB 1 ATOM 483 C CG . TRP A 1 66 ? -6.032 6.778 44.905 1.00 28.68 ? 220 TRP A CG 1 ATOM 484 C CD1 . TRP A 1 66 ? -4.885 6.200 44.482 1.00 30.13 ? 220 TRP A CD1 1 ATOM 485 C CD2 . TRP A 1 66 ? -6.145 8.031 44.211 1.00 27.10 ? 220 TRP A CD2 1 ATOM 486 N NE1 . TRP A 1 66 ? -4.269 7.018 43.543 1.00 29.48 ? 220 TRP A NE1 1 ATOM 487 C CE2 . TRP A 1 66 ? -5.052 8.114 43.319 1.00 29.79 ? 220 TRP A CE2 1 ATOM 488 C CE3 . TRP A 1 66 ? -7.085 9.066 44.216 1.00 28.92 ? 220 TRP A CE3 1 ATOM 489 C CZ2 . TRP A 1 66 ? -4.844 9.231 42.468 1.00 30.04 ? 220 TRP A CZ2 1 ATOM 490 C CZ3 . TRP A 1 66 ? -6.913 10.137 43.337 1.00 33.01 ? 220 TRP A CZ3 1 ATOM 491 C CH2 . TRP A 1 66 ? -5.766 10.218 42.489 1.00 31.85 ? 220 TRP A CH2 1 ATOM 492 N N . GLU A 1 67 ? -8.670 7.125 48.497 1.00 25.42 ? 221 GLU A N 1 ATOM 493 C CA . GLU A 1 67 ? -9.843 6.693 49.228 1.00 25.42 ? 221 GLU A CA 1 ATOM 494 C C . GLU A 1 67 ? -11.065 6.842 48.294 1.00 25.89 ? 221 GLU A C 1 ATOM 495 O O . GLU A 1 67 ? -10.998 7.536 47.268 1.00 26.68 ? 221 GLU A O 1 ATOM 496 C CB . GLU A 1 67 ? -10.030 7.542 50.508 1.00 25.82 ? 221 GLU A CB 1 ATOM 497 C CG . GLU A 1 67 ? -8.974 7.261 51.572 1.00 24.31 ? 221 GLU A CG 1 ATOM 498 C CD . GLU A 1 67 ? -8.991 8.231 52.747 1.00 27.75 ? 221 GLU A CD 1 ATOM 499 O OE1 . GLU A 1 67 ? -9.755 9.242 52.702 1.00 30.16 ? 221 GLU A OE1 1 ATOM 500 O OE2 . GLU A 1 67 ? -8.192 7.936 53.697 1.00 27.02 ? 221 GLU A OE2 1 ATOM 501 N N . LEU A 1 68 ? -12.158 6.192 48.645 1.00 25.09 ? 222 LEU A N 1 ATOM 502 C CA . LEU A 1 68 ? -13.373 6.304 47.869 1.00 26.21 ? 222 LEU A CA 1 ATOM 503 C C . LEU A 1 68 ? -14.548 6.450 48.824 1.00 25.86 ? 222 LEU A C 1 ATOM 504 O O . LEU A 1 68 ? -14.907 5.502 49.563 1.00 26.76 ? 222 LEU A O 1 ATOM 505 C CB . LEU A 1 68 ? -13.504 5.108 46.939 1.00 28.23 ? 222 LEU A CB 1 ATOM 506 C CG . LEU A 1 68 ? -14.815 4.967 46.130 1.00 29.76 ? 222 LEU A CG 1 ATOM 507 C CD1 . LEU A 1 68 ? -15.082 6.144 45.225 1.00 28.17 ? 222 LEU A CD1 1 ATOM 508 C CD2 . LEU A 1 68 ? -14.819 3.615 45.422 1.00 31.17 ? 222 LEU A CD2 1 ATOM 509 N N . GLY A 1 69 ? -15.112 7.655 48.796 1.00 28.94 ? 223 GLY A N 1 ATOM 510 C CA . GLY A 1 69 ? -16.201 8.078 49.651 1.00 26.70 ? 223 GLY A CA 1 ATOM 511 C C . GLY A 1 69 ? -15.749 8.522 51.044 1.00 28.11 ? 223 GLY A C 1 ATOM 512 O O . GLY A 1 69 ? -14.685 8.144 51.531 1.00 26.37 ? 223 GLY A O 1 ATOM 513 N N . ASN A 1 70 ? -16.651 9.246 51.695 1.00 29.88 ? 224 ASN A N 1 ATOM 514 C CA . ASN A 1 70 ? -16.478 9.747 53.032 1.00 28.00 ? 224 ASN A CA 1 ATOM 515 C C . ASN A 1 70 ? -17.777 9.541 53.833 1.00 29.48 ? 224 ASN A C 1 ATOM 516 O O . ASN A 1 70 ? -18.818 10.007 53.403 1.00 30.57 ? 224 ASN A O 1 ATOM 517 C CB . ASN A 1 70 ? -16.174 11.231 52.956 1.00 27.91 ? 224 ASN A CB 1 ATOM 518 C CG . ASN A 1 70 ? -16.066 11.884 54.310 1.00 30.14 ? 224 ASN A CG 1 ATOM 519 O OD1 . ASN A 1 70 ? -15.033 11.827 54.922 1.00 28.76 ? 224 ASN A OD1 1 ATOM 520 N ND2 . ASN A 1 70 ? -17.143 12.517 54.775 1.00 30.06 ? 224 ASN A ND2 1 ATOM 521 N N . GLU A 1 71 ? -17.690 8.898 55.013 1.00 27.01 ? 225 GLU A N 1 ATOM 522 C CA . GLU A 1 71 ? -18.884 8.691 55.858 1.00 30.61 ? 225 GLU A CA 1 ATOM 523 C C . GLU A 1 71 ? -20.066 8.144 55.014 1.00 30.21 ? 225 GLU A C 1 ATOM 524 O O . GLU A 1 71 ? -21.137 8.742 54.945 1.00 32.01 ? 225 GLU A O 1 ATOM 525 C CB . GLU A 1 71 ? -19.207 9.950 56.700 1.00 31.96 ? 225 GLU A CB 1 ATOM 526 C CG . GLU A 1 71 ? -18.138 10.128 57.817 1.00 39.91 ? 225 GLU A CG 1 ATOM 527 C CD . GLU A 1 71 ? -18.131 11.430 58.637 1.00 43.04 ? 225 GLU A CD 1 ATOM 528 O OE1 . GLU A 1 71 ? -19.164 12.177 58.556 1.00 38.67 ? 225 GLU A OE1 1 ATOM 529 O OE2 . GLU A 1 71 ? -17.066 11.672 59.405 1.00 35.39 ? 225 GLU A OE2 1 ATOM 530 N N . PRO A 1 72 ? -19.857 6.988 54.386 1.00 29.83 ? 226 PRO A N 1 ATOM 531 C CA . PRO A 1 72 ? -20.894 6.418 53.534 1.00 32.51 ? 226 PRO A CA 1 ATOM 532 C C . PRO A 1 72 ? -22.154 6.021 54.359 1.00 34.14 ? 226 PRO A C 1 ATOM 533 O O . PRO A 1 72 ? -23.227 5.921 53.796 1.00 35.94 ? 226 PRO A O 1 ATOM 534 C CB . PRO A 1 72 ? -20.224 5.175 52.926 1.00 32.04 ? 226 PRO A CB 1 ATOM 535 C CG . PRO A 1 72 ? -19.181 4.778 53.956 1.00 33.09 ? 226 PRO A CG 1 ATOM 536 C CD . PRO A 1 72 ? -18.683 6.089 54.486 1.00 31.19 ? 226 PRO A CD 1 ATOM 537 N N . ASN A 1 73 ? -22.009 5.836 55.673 1.00 34.60 ? 227 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? -23.154 5.639 56.566 1.00 37.00 ? 227 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? -24.182 6.776 56.533 1.00 41.52 ? 227 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? -25.291 6.562 56.992 1.00 40.61 ? 227 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? -22.692 5.424 58.023 1.00 39.68 ? 227 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? -21.629 6.465 58.470 1.00 40.60 ? 227 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? -20.453 6.377 58.070 1.00 28.94 ? 227 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? -22.045 7.452 59.268 1.00 35.22 ? 227 ASN A ND2 1 ATOM 545 N N . SER A 1 74 ? -23.782 7.976 56.068 1.00 36.76 ? 228 SER A N 1 ATOM 546 C CA . SER A 1 74 ? -24.615 9.173 56.013 1.00 39.19 ? 228 SER A CA 1 ATOM 547 C C . SER A 1 74 ? -25.108 9.510 54.610 1.00 35.28 ? 228 SER A C 1 ATOM 548 O O . SER A 1 74 ? -25.692 10.558 54.431 1.00 39.07 ? 228 SER A O 1 ATOM 549 C CB . SER A 1 74 ? -23.797 10.393 56.494 1.00 40.95 ? 228 SER A CB 1 ATOM 550 O OG . SER A 1 74 ? -23.612 10.344 57.859 1.00 53.22 ? 228 SER A OG 1 ATOM 551 N N . PHE A 1 75 ? -24.813 8.699 53.603 1.00 38.34 ? 229 PHE A N 1 ATOM 552 C CA . PHE A 1 75 ? -25.204 9.040 52.211 1.00 39.17 ? 229 PHE A CA 1 ATOM 553 C C . PHE A 1 75 ? -26.727 9.270 52.068 1.00 43.17 ? 229 PHE A C 1 ATOM 554 O O . PHE A 1 75 ? -27.174 10.182 51.362 1.00 43.45 ? 229 PHE A O 1 ATOM 555 C CB . PHE A 1 75 ? -24.776 7.943 51.257 1.00 35.77 ? 229 PHE A CB 1 ATOM 556 C CG . PHE A 1 75 ? -23.265 7.899 50.959 1.00 37.88 ? 229 PHE A CG 1 ATOM 557 C CD1 . PHE A 1 75 ? -22.402 8.991 51.256 1.00 36.83 ? 229 PHE A CD1 1 ATOM 558 C CD2 . PHE A 1 75 ? -22.739 6.823 50.253 1.00 38.54 ? 229 PHE A CD2 1 ATOM 559 C CE1 . PHE A 1 75 ? -21.065 8.950 50.917 1.00 33.97 ? 229 PHE A CE1 1 ATOM 560 C CE2 . PHE A 1 75 ? -21.395 6.793 49.906 1.00 37.99 ? 229 PHE A CE2 1 ATOM 561 C CZ . PHE A 1 75 ? -20.565 7.878 50.235 1.00 34.97 ? 229 PHE A CZ 1 ATOM 562 N N . LEU A 1 76 ? -27.508 8.430 52.732 1.00 45.38 ? 230 LEU A N 1 ATOM 563 C CA . LEU A 1 76 ? -28.960 8.617 52.772 1.00 52.80 ? 230 LEU A CA 1 ATOM 564 C C . LEU A 1 76 ? -29.327 10.026 53.281 1.00 48.59 ? 230 LEU A C 1 ATOM 565 O O . LEU A 1 76 ? -29.928 10.794 52.528 1.00 50.91 ? 230 LEU A O 1 ATOM 566 C CB . LEU A 1 76 ? -29.640 7.494 53.577 1.00 52.63 ? 230 LEU A CB 1 ATOM 567 C CG . LEU A 1 76 ? -31.149 7.316 53.320 1.00 57.38 ? 230 LEU A CG 1 ATOM 568 C CD1 . LEU A 1 76 ? -31.491 7.211 51.835 1.00 54.81 ? 230 LEU A CD1 1 ATOM 569 C CD2 . LEU A 1 76 ? -31.668 6.110 54.111 1.00 51.27 ? 230 LEU A CD2 1 ATOM 570 N N . LYS A 1 77 ? -28.903 10.397 54.494 1.00 49.52 ? 231 LYS A N 1 ATOM 571 C CA . LYS A 1 77 ? -29.108 11.770 54.998 1.00 48.10 ? 231 LYS A CA 1 ATOM 572 C C . LYS A 1 77 ? -28.621 12.859 54.027 1.00 49.43 ? 231 LYS A C 1 ATOM 573 O O . LYS A 1 77 ? -29.325 13.831 53.767 1.00 47.88 ? 231 LYS A O 1 ATOM 574 C CB . LYS A 1 77 ? -28.364 12.016 56.297 1.00 51.70 ? 231 LYS A CB 1 ATOM 575 C CG . LYS A 1 77 ? -28.830 11.255 57.523 1.00 61.39 ? 231 LYS A CG 1 ATOM 576 C CD . LYS A 1 77 ? -27.680 11.087 58.544 1.00 68.22 ? 231 LYS A CD 1 ATOM 577 C CE . LYS A 1 77 ? -27.618 9.700 59.206 1.00 63.27 ? 231 LYS A CE 1 ATOM 578 N NZ . LYS A 1 77 ? -26.271 9.438 59.790 1.00 66.58 ? 231 LYS A NZ 1 ATOM 579 N N . LYS A 1 78 ? -27.400 12.710 53.521 1.00 49.43 ? 232 LYS A N 1 ATOM 580 C CA . LYS A 1 78 ? -26.711 13.780 52.790 1.00 52.36 ? 232 LYS A CA 1 ATOM 581 C C . LYS A 1 78 ? -27.170 13.906 51.353 1.00 48.05 ? 232 LYS A C 1 ATOM 582 O O . LYS A 1 78 ? -27.137 14.988 50.823 1.00 47.04 ? 232 LYS A O 1 ATOM 583 C CB . LYS A 1 78 ? -25.164 13.572 52.779 1.00 57.39 ? 232 LYS A CB 1 ATOM 584 C CG . LYS A 1 78 ? -24.477 13.560 54.141 1.00 63.07 ? 232 LYS A CG 1 ATOM 585 C CD . LYS A 1 78 ? -24.540 14.913 54.865 1.00 70.95 ? 232 LYS A CD 1 ATOM 586 C CE . LYS A 1 78 ? -24.571 14.803 56.398 1.00 71.83 ? 232 LYS A CE 1 ATOM 587 N NZ . LYS A 1 78 ? -23.229 14.602 57.030 1.00 66.17 ? 232 LYS A NZ 1 ATOM 588 N N . ALA A 1 79 ? -27.520 12.792 50.708 1.00 48.83 ? 233 ALA A N 1 ATOM 589 C CA . ALA A 1 79 ? -27.812 12.766 49.273 1.00 48.74 ? 233 ALA A CA 1 ATOM 590 C C . ALA A 1 79 ? -28.991 11.890 48.886 1.00 51.12 ? 233 ALA A C 1 ATOM 591 O O . ALA A 1 79 ? -29.189 11.677 47.704 1.00 51.04 ? 233 ALA A O 1 ATOM 592 C CB . ALA A 1 79 ? -26.590 12.278 48.499 1.00 46.36 ? 233 ALA A CB 1 ATOM 593 N N . ASP A 1 80 ? -29.756 11.371 49.850 1.00 56.60 ? 234 ASP A N 1 ATOM 594 C CA . ASP A 1 80 ? -30.899 10.509 49.539 1.00 58.13 ? 234 ASP A CA 1 ATOM 595 C C . ASP A 1 80 ? -30.592 9.275 48.699 1.00 57.94 ? 234 ASP A C 1 ATOM 596 O O . ASP A 1 80 ? -31.439 8.796 47.939 1.00 57.05 ? 234 ASP A O 1 ATOM 597 C CB . ASP A 1 80 ? -32.008 11.347 48.900 1.00 62.20 ? 234 ASP A CB 1 ATOM 598 C CG . ASP A 1 80 ? -33.168 11.488 49.807 1.00 69.15 ? 234 ASP A CG 1 ATOM 599 O OD1 . ASP A 1 80 ? -33.162 12.438 50.623 1.00 80.32 ? 234 ASP A OD1 1 ATOM 600 O OD2 . ASP A 1 80 ? -34.044 10.600 49.754 1.00 69.37 ? 234 ASP A OD2 1 ATOM 601 N N . ILE A 1 81 ? -29.380 8.753 48.864 1.00 51.60 ? 235 ILE A N 1 ATOM 602 C CA . ILE A 1 81 ? -28.930 7.589 48.159 1.00 48.47 ? 235 ILE A CA 1 ATOM 603 C C . ILE A 1 81 ? -28.396 6.637 49.236 1.00 51.29 ? 235 ILE A C 1 ATOM 604 O O . ILE A 1 81 ? -27.635 7.047 50.101 1.00 47.99 ? 235 ILE A O 1 ATOM 605 C CB . ILE A 1 81 ? -27.845 7.964 47.134 1.00 50.76 ? 235 ILE A CB 1 ATOM 606 C CG1 . ILE A 1 81 ? -28.429 8.887 46.050 1.00 51.10 ? 235 ILE A CG1 1 ATOM 607 C CG2 . ILE A 1 81 ? -27.233 6.705 46.523 1.00 51.80 ? 235 ILE A CG2 1 ATOM 608 C CD1 . ILE A 1 81 ? -27.399 9.500 45.107 1.00 54.50 ? 235 ILE A CD1 1 ATOM 609 N N . PHE A 1 82 ? -28.805 5.376 49.190 1.00 48.63 ? 236 PHE A N 1 ATOM 610 C CA . PHE A 1 82 ? -28.329 4.396 50.137 1.00 47.42 ? 236 PHE A CA 1 ATOM 611 C C . PHE A 1 82 ? -27.425 3.367 49.447 1.00 46.43 ? 236 PHE A C 1 ATOM 612 O O . PHE A 1 82 ? -27.826 2.683 48.507 1.00 43.78 ? 236 PHE A O 1 ATOM 613 C CB . PHE A 1 82 ? -29.485 3.699 50.869 1.00 46.16 ? 236 PHE A CB 1 ATOM 614 C CG . PHE A 1 82 ? -28.999 2.681 51.829 1.00 45.89 ? 236 PHE A CG 1 ATOM 615 C CD1 . PHE A 1 82 ? -28.264 3.085 52.938 1.00 50.09 ? 236 PHE A CD1 1 ATOM 616 C CD2 . PHE A 1 82 ? -29.149 1.315 51.574 1.00 44.18 ? 236 PHE A CD2 1 ATOM 617 C CE1 . PHE A 1 82 ? -27.741 2.146 53.811 1.00 49.42 ? 236 PHE A CE1 1 ATOM 618 C CE2 . PHE A 1 82 ? -28.644 0.373 52.448 1.00 46.13 ? 236 PHE A CE2 1 ATOM 619 C CZ . PHE A 1 82 ? -27.919 0.785 53.552 1.00 46.51 ? 236 PHE A CZ 1 ATOM 620 N N . ILE A 1 83 ? -26.191 3.243 49.929 1.00 42.65 ? 237 ILE A N 1 ATOM 621 C CA . ILE A 1 83 ? -25.234 2.280 49.378 1.00 38.12 ? 237 ILE A CA 1 ATOM 622 C C . ILE A 1 83 ? -24.897 1.369 50.534 1.00 38.97 ? 237 ILE A C 1 ATOM 623 O O . ILE A 1 83 ? -24.397 1.844 51.584 1.00 36.65 ? 237 ILE A O 1 ATOM 624 C CB . ILE A 1 83 ? -23.967 3.008 48.840 1.00 40.51 ? 237 ILE A CB 1 ATOM 625 C CG1 . ILE A 1 83 ? -24.319 4.087 47.797 1.00 44.26 ? 237 ILE A CG1 1 ATOM 626 C CG2 . ILE A 1 83 ? -22.981 2.040 48.228 1.00 37.59 ? 237 ILE A CG2 1 ATOM 627 C CD1 . ILE A 1 83 ? -25.008 3.555 46.553 1.00 48.18 ? 237 ILE A CD1 1 ATOM 628 N N . ASN A 1 84 ? -25.220 0.080 50.417 1.00 36.34 ? 238 ASN A N 1 ATOM 629 C CA . ASN A 1 84 ? -24.874 -0.851 51.481 1.00 38.99 ? 238 ASN A CA 1 ATOM 630 C C . ASN A 1 84 ? -23.379 -1.236 51.439 1.00 35.41 ? 238 ASN A C 1 ATOM 631 O O . ASN A 1 84 ? -22.673 -0.995 50.447 1.00 35.72 ? 238 ASN A O 1 ATOM 632 C CB . ASN A 1 84 ? -25.819 -2.095 51.488 1.00 39.67 ? 238 ASN A CB 1 ATOM 633 C CG . ASN A 1 84 ? -25.712 -2.940 50.225 1.00 44.57 ? 238 ASN A CG 1 ATOM 634 O OD1 . ASN A 1 84 ? -24.610 -3.196 49.739 1.00 36.29 ? 238 ASN A OD1 1 ATOM 635 N ND2 . ASN A 1 84 ? -26.875 -3.402 49.691 1.00 49.55 ? 238 ASN A ND2 1 ATOM 636 N N . GLY A 1 85 ? -22.901 -1.800 52.536 1.00 35.53 ? 239 GLY A N 1 ATOM 637 C CA . GLY A 1 85 ? -21.497 -2.188 52.642 1.00 39.11 ? 239 GLY A CA 1 ATOM 638 C C . GLY A 1 85 ? -20.960 -3.123 51.598 1.00 37.39 ? 239 GLY A C 1 ATOM 639 O O . GLY A 1 85 ? -19.846 -2.930 51.105 1.00 31.30 ? 239 GLY A O 1 ATOM 640 N N . SER A 1 86 ? -21.755 -4.142 51.249 1.00 36.10 ? 240 SER A N 1 ATOM 641 C CA . SER A 1 86 ? -21.421 -5.058 50.139 1.00 35.12 ? 240 SER A CA 1 ATOM 642 C C . SER A 1 86 ? -21.105 -4.374 48.837 1.00 30.22 ? 240 SER A C 1 ATOM 643 O O . SER A 1 86 ? -20.094 -4.674 48.176 1.00 35.66 ? 240 SER A O 1 ATOM 644 C CB . SER A 1 86 ? -22.629 -6.002 49.862 1.00 36.09 ? 240 SER A CB 1 ATOM 645 O OG . SER A 1 86 ? -22.875 -6.730 51.011 1.00 41.29 ? 240 SER A OG 1 ATOM 646 N N . GLN A 1 87 ? -22.001 -3.498 48.435 1.00 34.09 ? 241 GLN A N 1 ATOM 647 C CA . GLN A 1 87 ? -21.873 -2.747 47.202 1.00 36.06 ? 241 GLN A CA 1 ATOM 648 C C . GLN A 1 87 ? -20.638 -1.815 47.246 1.00 33.41 ? 241 GLN A C 1 ATOM 649 O O . GLN A 1 87 ? -19.835 -1.762 46.312 1.00 32.10 ? 241 GLN A O 1 ATOM 650 C CB . GLN A 1 87 ? -23.121 -1.895 47.017 1.00 34.99 ? 241 GLN A CB 1 ATOM 651 C CG . GLN A 1 87 ? -23.192 -1.147 45.680 1.00 38.72 ? 241 GLN A CG 1 ATOM 652 C CD . GLN A 1 87 ? -22.997 -2.065 44.474 1.00 43.89 ? 241 GLN A CD 1 ATOM 653 O OE1 . GLN A 1 87 ? -23.731 -3.048 44.314 1.00 43.28 ? 241 GLN A OE1 1 ATOM 654 N NE2 . GLN A 1 87 ? -22.006 -1.761 43.628 1.00 40.57 ? 241 GLN A NE2 1 ATOM 655 N N . LEU A 1 88 ? -20.493 -1.122 48.367 1.00 32.42 ? 242 LEU A N 1 ATOM 656 C CA . LEU A 1 88 ? -19.321 -0.230 48.565 1.00 31.49 ? 242 LEU A CA 1 ATOM 657 C C . LEU A 1 88 ? -18.053 -1.052 48.419 1.00 32.05 ? 242 LEU A C 1 ATOM 658 O O . LEU A 1 88 ? -17.099 -0.590 47.776 1.00 30.27 ? 242 LEU A O 1 ATOM 659 C CB . LEU A 1 88 ? -19.432 0.457 49.936 1.00 29.99 ? 242 LEU A CB 1 ATOM 660 C CG . LEU A 1 88 ? -18.359 1.538 50.114 1.00 31.55 ? 242 LEU A CG 1 ATOM 661 C CD1 . LEU A 1 88 ? -18.525 2.690 49.146 1.00 32.09 ? 242 LEU A CD1 1 ATOM 662 C CD2 . LEU A 1 88 ? -18.454 1.994 51.554 1.00 31.55 ? 242 LEU A CD2 1 ATOM 663 N N . GLY A 1 89 ? -18.055 -2.280 48.960 1.00 29.82 ? 243 GLY A N 1 ATOM 664 C CA . GLY A 1 89 ? -16.942 -3.197 48.793 1.00 33.83 ? 243 GLY A CA 1 ATOM 665 C C . GLY A 1 89 ? -16.614 -3.526 47.350 1.00 31.83 ? 243 GLY A C 1 ATOM 666 O O . GLY A 1 89 ? -15.421 -3.561 46.916 1.00 28.85 ? 243 GLY A O 1 ATOM 667 N N . GLU A 1 90 ? -17.670 -3.810 46.602 1.00 34.69 ? 244 GLU A N 1 ATOM 668 C CA . GLU A 1 90 ? -17.531 -4.057 45.161 1.00 38.87 ? 244 GLU A CA 1 ATOM 669 C C . GLU A 1 90 ? -16.977 -2.833 44.422 1.00 32.80 ? 244 GLU A C 1 ATOM 670 O O . GLU A 1 90 ? -16.091 -2.959 43.586 1.00 36.08 ? 244 GLU A O 1 ATOM 671 C CB . GLU A 1 90 ? -18.878 -4.489 44.565 1.00 45.26 ? 244 GLU A CB 1 ATOM 672 C CG . GLU A 1 90 ? -19.257 -5.917 44.952 1.00 54.02 ? 244 GLU A CG 1 ATOM 673 C CD . GLU A 1 90 ? -18.273 -6.961 44.403 1.00 63.49 ? 244 GLU A CD 1 ATOM 674 O OE1 . GLU A 1 90 ? -17.834 -6.839 43.219 1.00 67.98 ? 244 GLU A OE1 1 ATOM 675 O OE2 . GLU A 1 90 ? -17.923 -7.893 45.166 1.00 60.56 ? 244 GLU A OE2 1 ATOM 676 N N . ASP A 1 91 ? -17.477 -1.661 44.775 1.00 35.95 ? 245 ASP A N 1 ATOM 677 C CA . ASP A 1 91 ? -16.961 -0.401 44.246 1.00 35.12 ? 245 ASP A CA 1 ATOM 678 C C . ASP A 1 91 ? -15.439 -0.242 44.507 1.00 33.82 ? 245 ASP A C 1 ATOM 679 O O . ASP A 1 91 ? -14.719 0.159 43.613 1.00 31.62 ? 245 ASP A O 1 ATOM 680 C CB . ASP A 1 91 ? -17.720 0.789 44.818 1.00 36.07 ? 245 ASP A CB 1 ATOM 681 C CG . ASP A 1 91 ? -19.240 0.725 44.558 1.00 42.69 ? 245 ASP A CG 1 ATOM 682 O OD1 . ASP A 1 91 ? -19.723 0.058 43.574 1.00 40.31 ? 245 ASP A OD1 1 ATOM 683 O OD2 . ASP A 1 91 ? -19.960 1.319 45.381 1.00 38.70 ? 245 ASP A OD2 1 ATOM 684 N N . PHE A 1 92 ? -14.970 -0.537 45.727 1.00 32.39 ? 246 PHE A N 1 ATOM 685 C CA . PHE A 1 92 ? -13.513 -0.540 46.050 1.00 30.47 ? 246 PHE A CA 1 ATOM 686 C C . PHE A 1 92 ? -12.738 -1.543 45.216 1.00 32.31 ? 246 PHE A C 1 ATOM 687 O O . PHE A 1 92 ? -11.629 -1.259 44.761 1.00 30.16 ? 246 PHE A O 1 ATOM 688 C CB . PHE A 1 92 ? -13.267 -0.778 47.558 1.00 30.14 ? 246 PHE A CB 1 ATOM 689 C CG . PHE A 1 92 ? -13.251 0.502 48.388 1.00 28.90 ? 246 PHE A CG 1 ATOM 690 C CD1 . PHE A 1 92 ? -14.399 1.216 48.613 1.00 27.12 ? 246 PHE A CD1 1 ATOM 691 C CD2 . PHE A 1 92 ? -12.069 0.999 48.910 1.00 27.92 ? 246 PHE A CD2 1 ATOM 692 C CE1 . PHE A 1 92 ? -14.389 2.370 49.391 1.00 27.63 ? 246 PHE A CE1 1 ATOM 693 C CE2 . PHE A 1 92 ? -12.061 2.162 49.654 1.00 27.45 ? 246 PHE A CE2 1 ATOM 694 C CZ . PHE A 1 92 ? -13.209 2.843 49.904 1.00 27.03 ? 246 PHE A CZ 1 ATOM 695 N N . ILE A 1 93 ? -13.312 -2.721 44.987 1.00 32.85 ? 247 ILE A N 1 ATOM 696 C CA . ILE A 1 93 ? -12.642 -3.683 44.088 1.00 33.07 ? 247 ILE A CA 1 ATOM 697 C C . ILE A 1 93 ? -12.470 -3.074 42.682 1.00 30.78 ? 247 ILE A C 1 ATOM 698 O O . ILE A 1 93 ? -11.421 -3.233 42.047 1.00 33.66 ? 247 ILE A O 1 ATOM 699 C CB . ILE A 1 93 ? -13.407 -5.018 44.026 1.00 34.07 ? 247 ILE A CB 1 ATOM 700 C CG1 . ILE A 1 93 ? -13.191 -5.806 45.324 1.00 33.30 ? 247 ILE A CG1 1 ATOM 701 C CG2 . ILE A 1 93 ? -12.997 -5.826 42.783 1.00 36.78 ? 247 ILE A CG2 1 ATOM 702 C CD1 . ILE A 1 93 ? -14.234 -6.903 45.571 1.00 36.33 ? 247 ILE A CD1 1 ATOM 703 N N . GLN A 1 94 ? -13.469 -2.365 42.206 1.00 33.14 ? 248 GLN A N 1 ATOM 704 C CA . GLN A 1 94 ? -13.375 -1.744 40.880 1.00 36.48 ? 248 GLN A CA 1 ATOM 705 C C . GLN A 1 94 ? -12.324 -0.651 40.845 1.00 36.45 ? 248 GLN A C 1 ATOM 706 O O . GLN A 1 94 ? -11.580 -0.498 39.849 1.00 32.36 ? 248 GLN A O 1 ATOM 707 C CB . GLN A 1 94 ? -14.743 -1.262 40.411 1.00 40.35 ? 248 GLN A CB 1 ATOM 708 C CG . GLN A 1 94 ? -15.698 -2.432 40.134 1.00 44.71 ? 248 GLN A CG 1 ATOM 709 C CD . GLN A 1 94 ? -15.142 -3.506 39.152 1.00 48.04 ? 248 GLN A CD 1 ATOM 710 O OE1 . GLN A 1 94 ? -14.613 -3.180 38.069 1.00 50.38 ? 248 GLN A OE1 1 ATOM 711 N NE2 . GLN A 1 94 ? -15.219 -4.781 39.552 1.00 46.35 ? 248 GLN A NE2 1 ATOM 712 N N . LEU A 1 95 ? -12.206 0.099 41.950 1.00 35.80 ? 249 LEU A N 1 ATOM 713 C CA . LEU A 1 95 ? -11.174 1.145 42.025 1.00 30.98 ? 249 LEU A CA 1 ATOM 714 C C . LEU A 1 95 ? -9.799 0.469 42.018 1.00 28.26 ? 249 LEU A C 1 ATOM 715 O O . LEU A 1 95 ? -8.882 0.936 41.365 1.00 29.44 ? 249 LEU A O 1 ATOM 716 C CB . LEU A 1 95 ? -11.374 2.057 43.262 1.00 29.99 ? 249 LEU A CB 1 ATOM 717 C CG . LEU A 1 95 ? -10.271 3.121 43.503 1.00 31.20 ? 249 LEU A CG 1 ATOM 718 C CD1 . LEU A 1 95 ? -9.980 3.932 42.267 1.00 28.52 ? 249 LEU A CD1 1 ATOM 719 C CD2 . LEU A 1 95 ? -10.699 4.046 44.647 1.00 30.93 ? 249 LEU A CD2 1 ATOM 720 N N . HIS A 1 96 ? -9.676 -0.605 42.759 1.00 29.22 ? 250 HIS A N 1 ATOM 721 C CA . HIS A 1 96 ? -8.415 -1.322 42.869 1.00 32.94 ? 250 HIS A CA 1 ATOM 722 C C . HIS A 1 96 ? -7.978 -1.839 41.477 1.00 32.48 ? 250 HIS A C 1 ATOM 723 O O . HIS A 1 96 ? -6.799 -1.785 41.157 1.00 31.86 ? 250 HIS A O 1 ATOM 724 C CB . HIS A 1 96 ? -8.542 -2.463 43.841 1.00 31.26 ? 250 HIS A CB 1 ATOM 725 C CG . HIS A 1 96 ? -7.388 -3.418 43.840 1.00 36.77 ? 250 HIS A CG 1 ATOM 726 N ND1 . HIS A 1 96 ? -6.188 -3.140 44.448 1.00 41.35 ? 250 HIS A ND1 1 ATOM 727 C CD2 . HIS A 1 96 ? -7.273 -4.671 43.333 1.00 38.91 ? 250 HIS A CD2 1 ATOM 728 C CE1 . HIS A 1 96 ? -5.377 -4.163 44.311 1.00 39.25 ? 250 HIS A CE1 1 ATOM 729 N NE2 . HIS A 1 96 ? -6.015 -5.107 43.644 1.00 43.13 ? 250 HIS A NE2 1 ATOM 730 N N . LYS A 1 97 ? -8.937 -2.257 40.652 1.00 33.80 ? 251 LYS A N 1 ATOM 731 C CA . LYS A 1 97 ? -8.585 -2.698 39.266 1.00 36.92 ? 251 LYS A CA 1 ATOM 732 C C . LYS A 1 97 ? -8.081 -1.529 38.405 1.00 35.44 ? 251 LYS A C 1 ATOM 733 O O . LYS A 1 97 ? -7.117 -1.691 37.690 1.00 35.68 ? 251 LYS A O 1 ATOM 734 C CB . LYS A 1 97 ? -9.774 -3.338 38.590 1.00 39.52 ? 251 LYS A CB 1 ATOM 735 C CG . LYS A 1 97 ? -10.190 -4.667 39.176 1.00 46.12 ? 251 LYS A CG 1 ATOM 736 C CD . LYS A 1 97 ? -11.368 -5.188 38.355 1.00 50.44 ? 251 LYS A CD 1 ATOM 737 C CE . LYS A 1 97 ? -12.139 -6.261 39.065 1.00 51.14 ? 251 LYS A CE 1 ATOM 738 N NZ . LYS A 1 97 ? -11.266 -7.395 39.400 1.00 54.66 ? 251 LYS A NZ 1 ATOM 739 N N . LEU A 1 98 ? -8.686 -0.342 38.529 1.00 32.72 ? 252 LEU A N 1 ATOM 740 C CA . LEU A 1 98 ? -8.224 0.837 37.827 1.00 35.90 ? 252 LEU A CA 1 ATOM 741 C C . LEU A 1 98 ? -6.852 1.246 38.275 1.00 36.39 ? 252 LEU A C 1 ATOM 742 O O . LEU A 1 98 ? -6.044 1.643 37.459 1.00 35.56 ? 252 LEU A O 1 ATOM 743 C CB . LEU A 1 98 ? -9.166 2.046 37.973 1.00 37.94 ? 252 LEU A CB 1 ATOM 744 C CG . LEU A 1 98 ? -10.576 1.827 37.436 1.00 50.23 ? 252 LEU A CG 1 ATOM 745 C CD1 . LEU A 1 98 ? -11.397 3.087 37.704 1.00 50.11 ? 252 LEU A CD1 1 ATOM 746 C CD2 . LEU A 1 98 ? -10.589 1.417 35.953 1.00 50.69 ? 252 LEU A CD2 1 ATOM 747 N N . LEU A 1 99 ? -6.590 1.168 39.582 1.00 30.14 ? 253 LEU A N 1 ATOM 748 C CA . LEU A 1 99 ? -5.281 1.517 40.072 1.00 31.74 ? 253 LEU A CA 1 ATOM 749 C C . LEU A 1 99 ? -4.203 0.578 39.546 1.00 31.90 ? 253 LEU A C 1 ATOM 750 O O . LEU A 1 99 ? -3.099 1.012 39.231 1.00 34.27 ? 253 LEU A O 1 ATOM 751 C CB . LEU A 1 99 ? -5.251 1.492 41.605 1.00 33.97 ? 253 LEU A CB 1 ATOM 752 C CG . LEU A 1 99 ? -6.159 2.527 42.257 1.00 31.29 ? 253 LEU A CG 1 ATOM 753 C CD1 . LEU A 1 99 ? -6.099 2.356 43.795 1.00 34.20 ? 253 LEU A CD1 1 ATOM 754 C CD2 . LEU A 1 99 ? -5.781 3.916 41.783 1.00 30.61 ? 253 LEU A CD2 1 ATOM 755 N N . ARG A 1 100 ? -4.505 -0.705 39.547 1.00 32.80 ? 254 ARG A N 1 ATOM 756 C CA . ARG A 1 100 ? -3.546 -1.715 39.077 1.00 36.99 ? 254 ARG A CA 1 ATOM 757 C C . ARG A 1 100 ? -3.185 -1.572 37.591 1.00 34.50 ? 254 ARG A C 1 ATOM 758 O O . ARG A 1 100 ? -2.119 -2.006 37.192 1.00 35.63 ? 254 ARG A O 1 ATOM 759 C CB . ARG A 1 100 ? -4.070 -3.123 39.323 1.00 35.73 ? 254 ARG A CB 1 ATOM 760 C CG . ARG A 1 100 ? -4.178 -3.474 40.813 1.00 43.38 ? 254 ARG A CG 1 ATOM 761 C CD . ARG A 1 100 ? -2.845 -3.745 41.483 1.00 43.65 ? 254 ARG A CD 1 ATOM 762 N NE . ARG A 1 100 ? -2.250 -4.956 40.919 1.00 57.86 ? 254 ARG A NE 1 ATOM 763 C CZ . ARG A 1 100 ? -0.940 -5.213 40.825 1.00 60.62 ? 254 ARG A CZ 1 ATOM 764 N NH1 . ARG A 1 100 ? -0.018 -4.335 41.244 1.00 64.27 ? 254 ARG A NH1 1 ATOM 765 N NH2 . ARG A 1 100 ? -0.556 -6.369 40.289 1.00 57.33 ? 254 ARG A NH2 1 ATOM 766 N N . LYS A 1 101 ? -4.078 -1.000 36.805 1.00 38.80 ? 255 LYS A N 1 ATOM 767 C CA . LYS A 1 101 ? -3.843 -0.705 35.367 1.00 39.75 ? 255 LYS A CA 1 ATOM 768 C C . LYS A 1 101 ? -3.332 0.667 35.095 1.00 40.66 ? 255 LYS A C 1 ATOM 769 O O . LYS A 1 101 ? -3.382 1.112 33.946 1.00 45.67 ? 255 LYS A O 1 ATOM 770 C CB . LYS A 1 101 ? -5.179 -0.847 34.613 1.00 43.86 ? 255 LYS A CB 1 ATOM 771 C CG . LYS A 1 101 ? -5.616 -2.276 34.542 1.00 48.37 ? 255 LYS A CG 1 ATOM 772 C CD . LYS A 1 101 ? -6.837 -2.419 33.658 1.00 57.74 ? 255 LYS A CD 1 ATOM 773 C CE . LYS A 1 101 ? -7.129 -3.898 33.408 1.00 62.81 ? 255 LYS A CE 1 ATOM 774 N NZ . LYS A 1 101 ? -7.718 -4.105 32.062 1.00 69.74 ? 255 LYS A NZ 1 ATOM 775 N N . SER A 1 102 ? -2.871 1.387 36.117 1.00 40.63 ? 256 SER A N 1 ATOM 776 C CA . SER A 1 102 ? -2.393 2.761 35.966 1.00 39.06 ? 256 SER A CA 1 ATOM 777 C C . SER A 1 102 ? -0.855 2.772 36.120 1.00 40.38 ? 256 SER A C 1 ATOM 778 O O . SER A 1 102 ? -0.230 1.763 36.520 1.00 44.27 ? 256 SER A O 1 ATOM 779 C CB . SER A 1 102 ? -3.039 3.645 37.060 1.00 39.87 ? 256 SER A CB 1 ATOM 780 O OG . SER A 1 102 ? -2.326 3.451 38.274 1.00 39.46 ? 256 SER A OG 1 ATOM 781 N N . THR A 1 103 ? -0.249 3.922 35.860 1.00 42.43 ? 257 THR A N 1 ATOM 782 C CA . THR A 1 103 ? 1.202 4.087 35.978 1.00 48.33 ? 257 THR A CA 1 ATOM 783 C C . THR A 1 103 ? 1.763 3.822 37.388 1.00 54.89 ? 257 THR A C 1 ATOM 784 O O . THR A 1 103 ? 2.939 3.384 37.524 1.00 54.26 ? 257 THR A O 1 ATOM 785 C CB . THR A 1 103 ? 1.653 5.504 35.568 1.00 55.35 ? 257 THR A CB 1 ATOM 786 O OG1 . THR A 1 103 ? 1.037 6.453 36.450 1.00 67.94 ? 257 THR A OG1 1 ATOM 787 C CG2 . THR A 1 103 ? 1.264 5.822 34.129 1.00 55.61 ? 257 THR A CG2 1 ATOM 788 N N . PHE A 1 104 ? 0.952 4.099 38.422 1.00 52.89 ? 258 PHE A N 1 ATOM 789 C CA . PHE A 1 104 ? 1.246 3.649 39.793 1.00 62.19 ? 258 PHE A CA 1 ATOM 790 C C . PHE A 1 104 ? 0.283 2.479 40.197 1.00 59.44 ? 258 PHE A C 1 ATOM 791 O O . PHE A 1 104 ? -0.680 2.621 40.973 1.00 49.81 ? 258 PHE A O 1 ATOM 792 C CB . PHE A 1 104 ? 1.213 4.816 40.809 1.00 67.57 ? 258 PHE A CB 1 ATOM 793 C CG . PHE A 1 104 ? 2.155 5.977 40.478 1.00 73.50 ? 258 PHE A CG 1 ATOM 794 C CD1 . PHE A 1 104 ? 1.830 6.908 39.475 1.00 76.17 ? 258 PHE A CD1 1 ATOM 795 C CD2 . PHE A 1 104 ? 3.342 6.165 41.196 1.00 73.54 ? 258 PHE A CD2 1 ATOM 796 C CE1 . PHE A 1 104 ? 2.680 7.968 39.170 1.00 75.73 ? 258 PHE A CE1 1 ATOM 797 C CE2 . PHE A 1 104 ? 4.190 7.224 40.902 1.00 79.13 ? 258 PHE A CE2 1 ATOM 798 C CZ . PHE A 1 104 ? 3.865 8.123 39.886 1.00 79.85 ? 258 PHE A CZ 1 ATOM 799 N N . LYS A 1 105 ? 0.611 1.309 39.653 1.00 55.00 ? 259 LYS A N 1 ATOM 800 C CA . LYS A 1 105 ? -0.058 0.051 39.947 1.00 46.74 ? 259 LYS A CA 1 ATOM 801 C C . LYS A 1 105 ? 0.109 -0.404 41.379 1.00 43.06 ? 259 LYS A C 1 ATOM 802 O O . LYS A 1 105 ? -0.556 -1.331 41.786 1.00 43.36 ? 259 LYS A O 1 ATOM 803 C CB . LYS A 1 105 ? 0.476 -1.050 39.020 1.00 51.38 ? 259 LYS A CB 1 ATOM 804 C CG . LYS A 1 105 ? 1.889 -1.533 39.341 1.00 59.55 ? 259 LYS A CG 1 ATOM 805 C CD . LYS A 1 105 ? 2.440 -2.531 38.315 1.00 66.58 ? 259 LYS A CD 1 ATOM 806 C CE . LYS A 1 105 ? 1.830 -3.930 38.437 1.00 70.21 ? 259 LYS A CE 1 ATOM 807 N NZ . LYS A 1 105 ? 1.940 -4.729 37.170 1.00 65.87 ? 259 LYS A NZ 1 ATOM 808 N N . ASN A 1 106 ? 1.048 0.183 42.122 1.00 41.44 ? 260 ASN A N 1 ATOM 809 C CA . ASN A 1 106 ? 1.209 -0.189 43.523 1.00 43.80 ? 260 ASN A CA 1 ATOM 810 C C . ASN A 1 106 ? 0.718 0.907 44.455 1.00 40.99 ? 260 ASN A C 1 ATOM 811 O O . ASN A 1 106 ? 1.049 0.872 45.619 1.00 40.65 ? 260 ASN A O 1 ATOM 812 C CB . ASN A 1 106 ? 2.669 -0.524 43.836 1.00 47.90 ? 260 ASN A CB 1 ATOM 813 C CG . ASN A 1 106 ? 3.193 -1.702 43.007 1.00 50.58 ? 260 ASN A CG 1 ATOM 814 O OD1 . ASN A 1 106 ? 2.566 -2.753 42.918 1.00 48.12 ? 260 ASN A OD1 1 ATOM 815 N ND2 . ASN A 1 106 ? 4.350 -1.517 42.406 1.00 54.54 ? 260 ASN A ND2 1 ATOM 816 N N . ALA A 1 107 ? -0.088 1.842 43.960 1.00 36.61 ? 261 ALA A N 1 ATOM 817 C CA . ALA A 1 107 ? -0.618 2.901 44.815 1.00 38.72 ? 261 ALA A CA 1 ATOM 818 C C . ALA A 1 107 ? -1.503 2.259 45.905 1.00 35.69 ? 261 ALA A C 1 ATOM 819 O O . ALA A 1 107 ? -2.157 1.227 45.679 1.00 34.49 ? 261 ALA A O 1 ATOM 820 C CB . ALA A 1 107 ? -1.416 3.904 43.995 1.00 41.00 ? 261 ALA A CB 1 ATOM 821 N N . LYS A 1 108 ? -1.517 2.884 47.087 1.00 33.32 ? 262 LYS A N 1 ATOM 822 C CA . LYS A 1 108 ? -2.311 2.385 48.204 1.00 29.33 ? 262 LYS A CA 1 ATOM 823 C C . LYS A 1 108 ? -3.756 2.895 48.148 1.00 24.94 ? 262 LYS A C 1 ATOM 824 O O . LYS A 1 108 ? -4.046 4.003 47.644 1.00 26.09 ? 262 LYS A O 1 ATOM 825 C CB . LYS A 1 108 ? -1.656 2.775 49.510 1.00 30.21 ? 262 LYS A CB 1 ATOM 826 C CG . LYS A 1 108 ? -0.210 2.368 49.682 1.00 33.73 ? 262 LYS A CG 1 ATOM 827 C CD . LYS A 1 108 ? -0.021 0.868 49.709 1.00 40.06 ? 262 LYS A CD 1 ATOM 828 C CE . LYS A 1 108 ? 1.415 0.558 50.107 1.00 49.27 ? 262 LYS A CE 1 ATOM 829 N NZ . LYS A 1 108 ? 1.738 -0.878 49.878 1.00 51.47 ? 262 LYS A NZ 1 ATOM 830 N N . LEU A 1 109 ? -4.639 2.093 48.740 1.00 25.58 ? 263 LEU A N 1 ATOM 831 C CA . LEU A 1 109 ? -6.073 2.296 48.777 1.00 24.85 ? 263 LEU A CA 1 ATOM 832 C C . LEU A 1 109 ? -6.620 2.081 50.205 1.00 25.22 ? 263 LEU A C 1 ATOM 833 O O . LEU A 1 109 ? -6.418 1.034 50.767 1.00 25.94 ? 263 LEU A O 1 ATOM 834 C CB . LEU A 1 109 ? -6.770 1.294 47.857 1.00 28.03 ? 263 LEU A CB 1 ATOM 835 C CG . LEU A 1 109 ? -8.288 1.359 47.753 1.00 27.62 ? 263 LEU A CG 1 ATOM 836 C CD1 . LEU A 1 109 ? -8.787 2.723 47.384 1.00 29.64 ? 263 LEU A CD1 1 ATOM 837 C CD2 . LEU A 1 109 ? -8.771 0.283 46.778 1.00 30.71 ? 263 LEU A CD2 1 ATOM 838 N N . TYR A 1 110 ? -7.271 3.092 50.758 1.00 24.61 ? 264 TYR A N 1 ATOM 839 C CA . TYR A 1 110 ? -7.785 3.015 52.126 1.00 25.06 ? 264 TYR A CA 1 ATOM 840 C C . TYR A 1 110 ? -9.296 3.294 52.145 1.00 23.63 ? 264 TYR A C 1 ATOM 841 O O . TYR A 1 110 ? -9.810 4.065 51.347 1.00 22.88 ? 264 TYR A O 1 ATOM 842 C CB . TYR A 1 110 ? -7.089 4.087 52.983 1.00 26.05 ? 264 TYR A CB 1 ATOM 843 C CG . TYR A 1 110 ? -5.578 4.090 52.858 1.00 25.00 ? 264 TYR A CG 1 ATOM 844 C CD1 . TYR A 1 110 ? -4.839 3.039 53.353 1.00 26.79 ? 264 TYR A CD1 1 ATOM 845 C CD2 . TYR A 1 110 ? -4.912 5.101 52.204 1.00 26.71 ? 264 TYR A CD2 1 ATOM 846 C CE1 . TYR A 1 110 ? -3.471 3.001 53.254 1.00 28.54 ? 264 TYR A CE1 1 ATOM 847 C CE2 . TYR A 1 110 ? -3.502 5.102 52.114 1.00 26.71 ? 264 TYR A CE2 1 ATOM 848 C CZ . TYR A 1 110 ? -2.812 4.061 52.646 1.00 28.28 ? 264 TYR A CZ 1 ATOM 849 O OH . TYR A 1 110 ? -1.469 4.079 52.542 1.00 31.00 ? 264 TYR A OH 1 ATOM 850 N N . GLY A 1 111 ? -9.995 2.711 53.121 1.00 25.11 ? 265 GLY A N 1 ATOM 851 C CA . GLY A 1 111 ? -11.386 2.988 53.267 1.00 22.58 ? 265 GLY A CA 1 ATOM 852 C C . GLY A 1 111 ? -11.968 2.154 54.390 1.00 21.19 ? 265 GLY A C 1 ATOM 853 O O . GLY A 1 111 ? -11.261 1.378 54.988 1.00 23.71 ? 265 GLY A O 1 ATOM 854 N N . PRO A 1 112 ? -13.277 2.272 54.674 1.00 25.83 ? 266 PRO A N 1 ATOM 855 C CA . PRO A 1 112 ? -14.262 3.058 53.921 1.00 24.27 ? 266 PRO A CA 1 ATOM 856 C C . PRO A 1 112 ? -14.600 4.423 54.522 1.00 25.38 ? 266 PRO A C 1 ATOM 857 O O . PRO A 1 112 ? -15.564 5.057 54.132 1.00 26.02 ? 266 PRO A O 1 ATOM 858 C CB . PRO A 1 112 ? -15.497 2.157 54.026 1.00 25.10 ? 266 PRO A CB 1 ATOM 859 C CG . PRO A 1 112 ? -15.398 1.574 55.382 1.00 24.82 ? 266 PRO A CG 1 ATOM 860 C CD . PRO A 1 112 ? -13.933 1.360 55.633 1.00 25.27 ? 266 PRO A CD 1 ATOM 861 N N . ASP A 1 113 ? -13.801 4.886 55.465 1.00 23.67 ? 267 ASP A N 1 ATOM 862 C CA . ASP A 1 113 ? -14.000 6.173 56.068 1.00 23.12 ? 267 ASP A CA 1 ATOM 863 C C . ASP A 1 113 ? -15.398 6.291 56.704 1.00 24.04 ? 267 ASP A C 1 ATOM 864 O O . ASP A 1 113 ? -16.022 7.340 56.614 1.00 26.76 ? 267 ASP A O 1 ATOM 865 C CB . ASP A 1 113 ? -13.677 7.309 55.084 1.00 24.65 ? 267 ASP A CB 1 ATOM 866 C CG . ASP A 1 113 ? -12.182 7.535 54.990 1.00 27.95 ? 267 ASP A CG 1 ATOM 867 O OD1 . ASP A 1 113 ? -11.635 8.272 55.906 1.00 27.50 ? 267 ASP A OD1 1 ATOM 868 O OD2 . ASP A 1 113 ? -11.558 6.891 54.106 1.00 28.14 ? 267 ASP A OD2 1 ATOM 869 N N . VAL A 1 114 ? -15.824 5.234 57.380 1.00 24.29 ? 268 VAL A N 1 ATOM 870 C CA . VAL A 1 114 ? -17.076 5.285 58.162 1.00 25.46 ? 268 VAL A CA 1 ATOM 871 C C . VAL A 1 114 ? -16.968 6.112 59.432 1.00 27.77 ? 268 VAL A C 1 ATOM 872 O O . VAL A 1 114 ? -15.891 6.258 60.044 1.00 24.40 ? 268 VAL A O 1 ATOM 873 C CB . VAL A 1 114 ? -17.598 3.887 58.592 1.00 29.00 ? 268 VAL A CB 1 ATOM 874 C CG1 . VAL A 1 114 ? -18.208 3.187 57.385 1.00 36.27 ? 268 VAL A CG1 1 ATOM 875 C CG2 . VAL A 1 114 ? -16.537 3.046 59.284 1.00 27.83 ? 268 VAL A CG2 1 ATOM 876 N N . GLY A 1 115 ? -18.123 6.610 59.887 1.00 28.37 ? 269 GLY A N 1 ATOM 877 C CA . GLY A 1 115 ? -18.205 7.178 61.208 1.00 27.42 ? 269 GLY A CA 1 ATOM 878 C C . GLY A 1 115 ? -18.016 6.195 62.312 1.00 28.32 ? 269 GLY A C 1 ATOM 879 O O . GLY A 1 115 ? -17.806 5.006 62.147 1.00 27.75 ? 269 GLY A O 1 ATOM 880 N N . GLN A 1 116 ? -18.071 6.709 63.500 1.00 27.26 ? 270 GLN A N 1 ATOM 881 C CA . GLN A 1 116 ? -17.754 5.896 64.650 1.00 29.32 ? 270 GLN A CA 1 ATOM 882 C C . GLN A 1 116 ? -18.852 4.831 64.859 1.00 33.10 ? 270 GLN A C 1 ATOM 883 O O . GLN A 1 116 ? -19.941 4.985 64.358 1.00 31.30 ? 270 GLN A O 1 ATOM 884 C CB . GLN A 1 116 ? -17.572 6.782 65.874 1.00 36.16 ? 270 GLN A CB 1 ATOM 885 C CG . GLN A 1 116 ? -18.708 7.706 66.239 1.00 34.34 ? 270 GLN A CG 1 ATOM 886 C CD . GLN A 1 116 ? -18.161 8.981 66.921 1.00 36.91 ? 270 GLN A CD 1 ATOM 887 O OE1 . GLN A 1 116 ? -17.665 9.909 66.261 1.00 38.00 ? 270 GLN A OE1 1 ATOM 888 N NE2 . GLN A 1 116 ? -18.199 8.992 68.225 1.00 38.26 ? 270 GLN A NE2 1 ATOM 889 N N . PRO A 1 117 ? -18.536 3.745 65.559 1.00 32.51 ? 271 PRO A N 1 ATOM 890 C CA . PRO A 1 117 ? -19.329 2.521 65.363 1.00 39.08 ? 271 PRO A CA 1 ATOM 891 C C . PRO A 1 117 ? -20.623 2.385 66.206 1.00 42.66 ? 271 PRO A C 1 ATOM 892 O O . PRO A 1 117 ? -20.652 1.677 67.190 1.00 61.15 ? 271 PRO A O 1 ATOM 893 C CB . PRO A 1 117 ? -18.315 1.418 65.723 1.00 39.94 ? 271 PRO A CB 1 ATOM 894 C CG . PRO A 1 117 ? -17.517 2.035 66.806 1.00 36.83 ? 271 PRO A CG 1 ATOM 895 C CD . PRO A 1 117 ? -17.297 3.453 66.302 1.00 34.74 ? 271 PRO A CD 1 ATOM 896 N N . ARG A 1 118 ? -21.651 3.079 65.779 1.00 41.80 ? 272 ARG A N 1 ATOM 897 C CA . ARG A 1 118 ? -23.028 2.806 66.120 1.00 46.89 ? 272 ARG A CA 1 ATOM 898 C C . ARG A 1 118 ? -23.503 1.537 65.381 1.00 44.92 ? 272 ARG A C 1 ATOM 899 O O . ARG A 1 118 ? -22.819 1.039 64.469 1.00 36.18 ? 272 ARG A O 1 ATOM 900 C CB . ARG A 1 118 ? -23.884 3.999 65.692 1.00 50.28 ? 272 ARG A CB 1 ATOM 901 C CG . ARG A 1 118 ? -23.587 5.278 66.458 1.00 60.65 ? 272 ARG A CG 1 ATOM 902 C CD . ARG A 1 118 ? -24.506 6.417 66.031 1.00 73.29 ? 272 ARG A CD 1 ATOM 903 N NE . ARG A 1 118 ? -24.875 7.276 67.172 1.00 82.98 ? 272 ARG A NE 1 ATOM 904 C CZ . ARG A 1 118 ? -25.969 7.152 67.941 1.00 82.71 ? 272 ARG A CZ 1 ATOM 905 N NH1 . ARG A 1 118 ? -26.884 6.200 67.734 1.00 89.25 ? 272 ARG A NH1 1 ATOM 906 N NH2 . ARG A 1 118 ? -26.159 8.010 68.939 1.00 82.58 ? 272 ARG A NH2 1 ATOM 907 N N . ARG A 1 119 ? -24.691 1.026 65.750 1.00 41.60 ? 273 ARG A N 1 ATOM 908 C CA . ARG A 1 119 ? -25.163 -0.265 65.223 1.00 42.83 ? 273 ARG A CA 1 ATOM 909 C C . ARG A 1 119 ? -25.182 -0.302 63.704 1.00 35.51 ? 273 ARG A C 1 ATOM 910 O O . ARG A 1 119 ? -24.643 -1.233 63.091 1.00 35.69 ? 273 ARG A O 1 ATOM 911 C CB . ARG A 1 119 ? -26.566 -0.621 65.767 1.00 50.66 ? 273 ARG A CB 1 ATOM 912 C CG . ARG A 1 119 ? -27.222 -1.823 65.068 1.00 60.67 ? 273 ARG A CG 1 ATOM 913 C CD . ARG A 1 119 ? -28.634 -2.106 65.580 1.00 66.02 ? 273 ARG A CD 1 ATOM 914 N NE . ARG A 1 119 ? -28.801 -3.531 65.828 1.00 80.55 ? 273 ARG A NE 1 ATOM 915 C CZ . ARG A 1 119 ? -28.243 -4.206 66.840 1.00 90.82 ? 273 ARG A CZ 1 ATOM 916 N NH1 . ARG A 1 119 ? -27.465 -3.595 67.740 1.00 97.83 ? 273 ARG A NH1 1 ATOM 917 N NH2 . ARG A 1 119 ? -28.460 -5.518 66.955 1.00 93.79 ? 273 ARG A NH2 1 ATOM 918 N N . LYS A 1 120 ? -25.810 0.679 63.102 1.00 34.06 ? 274 LYS A N 1 ATOM 919 C CA . LYS A 1 120 ? -25.921 0.706 61.644 1.00 41.81 ? 274 LYS A CA 1 ATOM 920 C C . LYS A 1 120 ? -24.524 0.876 60.954 1.00 38.76 ? 274 LYS A C 1 ATOM 921 O O . LYS A 1 120 ? -24.275 0.297 59.888 1.00 34.25 ? 274 LYS A O 1 ATOM 922 C CB . LYS A 1 120 ? -26.880 1.812 61.200 1.00 43.79 ? 274 LYS A CB 1 ATOM 923 C CG . LYS A 1 120 ? -28.342 1.438 61.436 1.00 56.01 ? 274 LYS A CG 1 ATOM 924 C CD . LYS A 1 120 ? -29.293 2.473 60.838 1.00 65.45 ? 274 LYS A CD 1 ATOM 925 C CE . LYS A 1 120 ? -30.742 2.160 61.183 1.00 73.76 ? 274 LYS A CE 1 ATOM 926 N NZ . LYS A 1 120 ? -31.671 3.043 60.424 1.00 76.91 ? 274 LYS A NZ 1 ATOM 927 N N . THR A 1 121 ? -23.646 1.665 61.572 1.00 35.09 ? 275 THR A N 1 ATOM 928 C CA . THR A 1 121 ? -22.285 1.866 61.005 1.00 33.33 ? 275 THR A CA 1 ATOM 929 C C . THR A 1 121 ? -21.447 0.607 61.110 1.00 32.37 ? 275 THR A C 1 ATOM 930 O O . THR A 1 121 ? -20.723 0.258 60.154 1.00 30.90 ? 275 THR A O 1 ATOM 931 C CB . THR A 1 121 ? -21.584 3.096 61.618 1.00 36.93 ? 275 THR A CB 1 ATOM 932 O OG1 . THR A 1 121 ? -22.399 4.258 61.392 1.00 35.56 ? 275 THR A OG1 1 ATOM 933 C CG2 . THR A 1 121 ? -20.256 3.364 60.886 1.00 36.49 ? 275 THR A CG2 1 ATOM 934 N N . ALA A 1 122 ? -21.558 -0.096 62.230 1.00 31.09 ? 276 ALA A N 1 ATOM 935 C CA . ALA A 1 122 ? -20.805 -1.350 62.418 1.00 32.78 ? 276 ALA A CA 1 ATOM 936 C C . ALA A 1 122 ? -21.229 -2.441 61.403 1.00 35.87 ? 276 ALA A C 1 ATOM 937 O O . ALA A 1 122 ? -20.377 -3.174 60.869 1.00 31.03 ? 276 ALA A O 1 ATOM 938 C CB . ALA A 1 122 ? -20.932 -1.851 63.841 1.00 36.26 ? 276 ALA A CB 1 ATOM 939 N N . LYS A 1 123 ? -22.539 -2.489 61.096 1.00 34.27 ? 277 LYS A N 1 ATOM 940 C CA . LYS A 1 123 ? -23.054 -3.382 60.067 1.00 37.14 ? 277 LYS A CA 1 ATOM 941 C C . LYS A 1 123 ? -22.531 -3.054 58.655 1.00 32.09 ? 277 LYS A C 1 ATOM 942 O O . LYS A 1 123 ? -22.172 -3.952 57.898 1.00 32.54 ? 277 LYS A O 1 ATOM 943 C CB . LYS A 1 123 ? -24.582 -3.349 60.044 1.00 38.63 ? 277 LYS A CB 1 ATOM 944 C CG . LYS A 1 123 ? -25.196 -4.354 59.072 1.00 40.83 ? 277 LYS A CG 1 ATOM 945 C CD . LYS A 1 123 ? -26.716 -4.151 58.980 1.00 51.62 ? 277 LYS A CD 1 ATOM 946 C CE . LYS A 1 123 ? -27.331 -5.149 57.997 1.00 56.81 ? 277 LYS A CE 1 ATOM 947 N NZ . LYS A 1 123 ? -28.735 -5.436 58.382 1.00 65.44 ? 277 LYS A NZ 1 ATOM 948 N N . MET A 1 124 ? -22.514 -1.775 58.320 1.00 32.01 ? 278 MET A N 1 ATOM 949 C CA . MET A 1 124 ? -21.927 -1.306 57.063 1.00 32.62 ? 278 MET A CA 1 ATOM 950 C C . MET A 1 124 ? -20.428 -1.620 56.998 1.00 30.84 ? 278 MET A C 1 ATOM 951 O O . MET A 1 124 ? -19.947 -2.100 55.955 1.00 29.29 ? 278 MET A O 1 ATOM 952 C CB . MET A 1 124 ? -22.180 0.167 56.857 1.00 33.33 ? 278 MET A CB 1 ATOM 953 C CG . MET A 1 124 ? -21.604 0.712 55.542 1.00 41.11 ? 278 MET A CG 1 ATOM 954 S SD . MET A 1 124 ? -22.081 2.416 55.254 1.00 42.35 ? 278 MET A SD 1 ATOM 955 C CE . MET A 1 124 ? -23.814 2.170 54.815 1.00 43.05 ? 278 MET A CE 1 ATOM 956 N N . LEU A 1 125 ? -19.700 -1.372 58.081 1.00 27.65 ? 279 LEU A N 1 ATOM 957 C CA . LEU A 1 125 ? -18.269 -1.711 58.077 1.00 30.97 ? 279 LEU A CA 1 ATOM 958 C C . LEU A 1 125 ? -18.005 -3.217 57.903 1.00 28.65 ? 279 LEU A C 1 ATOM 959 O O . LEU A 1 125 ? -17.079 -3.628 57.186 1.00 27.48 ? 279 LEU A O 1 ATOM 960 C CB . LEU A 1 125 ? -17.583 -1.230 59.334 1.00 27.22 ? 279 LEU A CB 1 ATOM 961 C CG . LEU A 1 125 ? -16.094 -1.504 59.435 1.00 27.32 ? 279 LEU A CG 1 ATOM 962 C CD1 . LEU A 1 125 ? -15.339 -0.827 58.286 1.00 29.08 ? 279 LEU A CD1 1 ATOM 963 C CD2 . LEU A 1 125 ? -15.601 -1.051 60.813 1.00 28.90 ? 279 LEU A CD2 1 ATOM 964 N N . LYS A 1 126 ? -18.740 -4.027 58.647 1.00 31.09 ? 280 LYS A N 1 ATOM 965 C CA . LYS A 1 126 ? -18.582 -5.505 58.590 1.00 31.19 ? 280 LYS A CA 1 ATOM 966 C C . LYS A 1 126 ? -18.853 -6.034 57.174 1.00 28.32 ? 280 LYS A C 1 ATOM 967 O O . LYS A 1 126 ? -18.047 -6.792 56.622 1.00 30.36 ? 280 LYS A O 1 ATOM 968 C CB . LYS A 1 126 ? -19.521 -6.196 59.592 1.00 34.00 ? 280 LYS A CB 1 ATOM 969 C CG . LYS A 1 126 ? -19.228 -7.672 59.705 1.00 41.79 ? 280 LYS A CG 1 ATOM 970 C CD . LYS A 1 126 ? -19.974 -8.329 60.850 1.00 48.84 ? 280 LYS A CD 1 ATOM 971 C CE . LYS A 1 126 ? -19.380 -9.716 61.086 1.00 55.63 ? 280 LYS A CE 1 ATOM 972 N NZ . LYS A 1 126 ? -19.885 -10.282 62.357 1.00 62.87 ? 280 LYS A NZ 1 ATOM 973 N N . SER A 1 127 ? -19.924 -5.562 56.553 1.00 29.80 ? 281 SER A N 1 ATOM 974 C CA . SER A 1 127 ? -20.280 -6.008 55.175 1.00 32.87 ? 281 SER A CA 1 ATOM 975 C C . SER A 1 127 ? -19.285 -5.507 54.132 1.00 34.32 ? 281 SER A C 1 ATOM 976 O O . SER A 1 127 ? -18.943 -6.226 53.187 1.00 33.19 ? 281 SER A O 1 ATOM 977 C CB . SER A 1 127 ? -21.704 -5.599 54.791 1.00 35.48 ? 281 SER A CB 1 ATOM 978 O OG . SER A 1 127 ? -22.016 -4.302 55.222 1.00 46.75 ? 281 SER A OG 1 ATOM 979 N N . PHE A 1 128 ? -18.810 -4.277 54.334 1.00 30.22 ? 282 PHE A N 1 ATOM 980 C CA . PHE A 1 128 ? -17.759 -3.727 53.500 1.00 28.92 ? 282 PHE A CA 1 ATOM 981 C C . PHE A 1 128 ? -16.516 -4.560 53.560 1.00 28.89 ? 282 PHE A C 1 ATOM 982 O O . PHE A 1 128 ? -15.909 -4.887 52.526 1.00 30.17 ? 282 PHE A O 1 ATOM 983 C CB . PHE A 1 128 ? -17.438 -2.281 53.917 1.00 30.09 ? 282 PHE A CB 1 ATOM 984 C CG . PHE A 1 128 ? -16.241 -1.728 53.204 1.00 30.67 ? 282 PHE A CG 1 ATOM 985 C CD1 . PHE A 1 128 ? -16.355 -1.314 51.899 1.00 30.67 ? 282 PHE A CD1 1 ATOM 986 C CD2 . PHE A 1 128 ? -14.999 -1.691 53.814 1.00 27.61 ? 282 PHE A CD2 1 ATOM 987 C CE1 . PHE A 1 128 ? -15.277 -0.826 51.230 1.00 30.65 ? 282 PHE A CE1 1 ATOM 988 C CE2 . PHE A 1 128 ? -13.910 -1.193 53.136 1.00 28.92 ? 282 PHE A CE2 1 ATOM 989 C CZ . PHE A 1 128 ? -14.053 -0.768 51.839 1.00 28.83 ? 282 PHE A CZ 1 ATOM 990 N N . LEU A 1 129 ? -16.061 -4.893 54.766 1.00 28.95 ? 283 LEU A N 1 ATOM 991 C CA . LEU A 1 129 ? -14.805 -5.604 54.879 1.00 27.35 ? 283 LEU A CA 1 ATOM 992 C C . LEU A 1 129 ? -14.920 -7.050 54.340 1.00 30.67 ? 283 LEU A C 1 ATOM 993 O O . LEU A 1 129 ? -13.961 -7.578 53.748 1.00 29.57 ? 283 LEU A O 1 ATOM 994 C CB . LEU A 1 129 ? -14.295 -5.608 56.303 1.00 27.04 ? 283 LEU A CB 1 ATOM 995 C CG . LEU A 1 129 ? -13.823 -4.260 56.827 1.00 26.19 ? 283 LEU A CG 1 ATOM 996 C CD1 . LEU A 1 129 ? -13.497 -4.418 58.307 1.00 27.80 ? 283 LEU A CD1 1 ATOM 997 C CD2 . LEU A 1 129 ? -12.573 -3.756 56.071 1.00 28.61 ? 283 LEU A CD2 1 ATOM 998 N N . LYS A 1 130 ? -16.077 -7.673 54.532 1.00 31.80 ? 284 LYS A N 1 ATOM 999 C CA . LYS A 1 130 ? -16.290 -8.997 53.908 1.00 35.34 ? 284 LYS A CA 1 ATOM 1000 C C . LYS A 1 130 ? -16.197 -8.920 52.385 1.00 36.80 ? 284 LYS A C 1 ATOM 1001 O O . LYS A 1 130 ? -15.522 -9.719 51.790 1.00 39.22 ? 284 LYS A O 1 ATOM 1002 C CB . LYS A 1 130 ? -17.662 -9.549 54.256 1.00 43.05 ? 284 LYS A CB 1 ATOM 1003 C CG . LYS A 1 130 ? -17.709 -10.344 55.523 1.00 51.24 ? 284 LYS A CG 1 ATOM 1004 C CD . LYS A 1 130 ? -18.756 -11.474 55.419 1.00 55.76 ? 284 LYS A CD 1 ATOM 1005 C CE . LYS A 1 130 ? -19.752 -11.352 56.539 1.00 55.27 ? 284 LYS A CE 1 ATOM 1006 N NZ . LYS A 1 130 ? -19.116 -11.355 57.886 1.00 59.87 ? 284 LYS A NZ 1 ATOM 1007 N N . ALA A 1 131 ? -16.838 -7.920 51.788 1.00 37.30 ? 285 ALA A N 1 ATOM 1008 C CA . ALA A 1 131 ? -16.888 -7.760 50.334 1.00 37.20 ? 285 ALA A CA 1 ATOM 1009 C C . ALA A 1 131 ? -15.578 -7.219 49.741 1.00 39.77 ? 285 ALA A C 1 ATOM 1010 O O . ALA A 1 131 ? -15.037 -7.819 48.850 1.00 38.73 ? 285 ALA A O 1 ATOM 1011 C CB . ALA A 1 131 ? -18.052 -6.884 49.929 1.00 36.13 ? 285 ALA A CB 1 ATOM 1012 N N . GLY A 1 132 ? -15.069 -6.119 50.291 1.00 32.97 ? 286 GLY A N 1 ATOM 1013 C CA . GLY A 1 132 ? -13.972 -5.339 49.691 1.00 32.36 ? 286 GLY A CA 1 ATOM 1014 C C . GLY A 1 132 ? -12.705 -5.314 50.472 1.00 29.70 ? 286 GLY A C 1 ATOM 1015 O O . GLY A 1 132 ? -11.742 -4.705 50.049 1.00 34.56 ? 286 GLY A O 1 ATOM 1016 N N . GLY A 1 133 ? -12.684 -5.944 51.644 1.00 31.17 ? 287 GLY A N 1 ATOM 1017 C CA . GLY A 1 133 ? -11.521 -5.871 52.522 1.00 31.11 ? 287 GLY A CA 1 ATOM 1018 C C . GLY A 1 133 ? -10.228 -6.413 51.955 1.00 34.17 ? 287 GLY A C 1 ATOM 1019 O O . GLY A 1 133 ? -9.136 -6.105 52.453 1.00 34.06 ? 287 GLY A O 1 ATOM 1020 N N . GLU A 1 134 ? -10.303 -7.250 50.920 1.00 33.08 ? 288 GLU A N 1 ATOM 1021 C CA . GLU A 1 134 ? -9.047 -7.762 50.387 1.00 35.97 ? 288 GLU A CA 1 ATOM 1022 C C . GLU A 1 134 ? -8.226 -6.683 49.676 1.00 31.87 ? 288 GLU A C 1 ATOM 1023 O O . GLU A 1 134 ? -7.010 -6.797 49.582 1.00 33.57 ? 288 GLU A O 1 ATOM 1024 C CB . GLU A 1 134 ? -9.260 -8.974 49.476 1.00 40.33 ? 288 GLU A CB 1 ATOM 1025 C CG . GLU A 1 134 ? -8.072 -9.913 49.535 1.00 46.88 ? 288 GLU A CG 1 ATOM 1026 C CD . GLU A 1 134 ? -8.090 -10.960 48.433 1.00 58.75 ? 288 GLU A CD 1 ATOM 1027 O OE1 . GLU A 1 134 ? -9.189 -11.265 47.930 1.00 63.79 ? 288 GLU A OE1 1 ATOM 1028 O OE2 . GLU A 1 134 ? -7.001 -11.468 48.076 1.00 65.15 ? 288 GLU A OE2 1 ATOM 1029 N N . VAL A 1 135 ? -8.875 -5.657 49.154 1.00 27.99 ? 289 VAL A N 1 ATOM 1030 C CA . VAL A 1 135 ? -8.151 -4.686 48.352 1.00 29.36 ? 289 VAL A CA 1 ATOM 1031 C C . VAL A 1 135 ? -7.767 -3.428 49.113 1.00 31.69 ? 289 VAL A C 1 ATOM 1032 O O . VAL A 1 135 ? -7.163 -2.554 48.546 1.00 31.46 ? 289 VAL A O 1 ATOM 1033 C CB . VAL A 1 135 ? -8.911 -4.301 47.086 1.00 32.15 ? 289 VAL A CB 1 ATOM 1034 C CG1 . VAL A 1 135 ? -9.334 -5.567 46.351 1.00 36.74 ? 289 VAL A CG1 1 ATOM 1035 C CG2 . VAL A 1 135 ? -10.096 -3.402 47.350 1.00 30.53 ? 289 VAL A CG2 1 ATOM 1036 N N . ILE A 1 136 ? -8.117 -3.310 50.388 1.00 30.82 ? 290 ILE A N 1 ATOM 1037 C CA . ILE A 1 136 ? -7.691 -2.088 51.118 1.00 30.20 ? 290 ILE A CA 1 ATOM 1038 C C . ILE A 1 136 ? -6.415 -2.353 51.886 1.00 26.92 ? 290 ILE A C 1 ATOM 1039 O O . ILE A 1 136 ? -6.183 -3.434 52.386 1.00 31.45 ? 290 ILE A O 1 ATOM 1040 C CB . ILE A 1 136 ? -8.801 -1.463 51.982 1.00 33.66 ? 290 ILE A CB 1 ATOM 1041 C CG1 . ILE A 1 136 ? -9.183 -2.409 53.078 1.00 33.94 ? 290 ILE A CG1 1 ATOM 1042 C CG2 . ILE A 1 136 ? -9.986 -1.005 51.093 1.00 34.18 ? 290 ILE A CG2 1 ATOM 1043 C CD1 . ILE A 1 136 ? -10.177 -1.847 54.066 1.00 34.83 ? 290 ILE A CD1 1 ATOM 1044 N N . ASP A 1 137 ? -5.547 -1.364 51.944 1.00 26.90 ? 291 ASP A N 1 ATOM 1045 C CA . ASP A 1 137 ? -4.302 -1.472 52.680 1.00 26.46 ? 291 ASP A CA 1 ATOM 1046 C C . ASP A 1 137 ? -4.441 -1.146 54.175 1.00 26.39 ? 291 ASP A C 1 ATOM 1047 O O . ASP A 1 137 ? -3.652 -1.623 54.987 1.00 26.68 ? 291 ASP A O 1 ATOM 1048 C CB . ASP A 1 137 ? -3.268 -0.590 52.013 1.00 27.68 ? 291 ASP A CB 1 ATOM 1049 C CG . ASP A 1 137 ? -2.994 -1.050 50.586 1.00 31.79 ? 291 ASP A CG 1 ATOM 1050 O OD1 . ASP A 1 137 ? -2.440 -2.158 50.490 1.00 33.80 ? 291 ASP A OD1 1 ATOM 1051 O OD2 . ASP A 1 137 ? -3.477 -0.408 49.613 1.00 30.37 ? 291 ASP A OD2 1 ATOM 1052 N N . SER A 1 138 ? -5.433 -0.326 54.510 1.00 25.34 ? 292 SER A N 1 ATOM 1053 C CA . SER A 1 138 ? -5.826 -0.100 55.912 1.00 27.04 ? 292 SER A CA 1 ATOM 1054 C C . SER A 1 138 ? -7.295 0.249 55.992 1.00 24.87 ? 292 SER A C 1 ATOM 1055 O O . SER A 1 138 ? -7.846 0.809 55.044 1.00 27.97 ? 292 SER A O 1 ATOM 1056 C CB . SER A 1 138 ? -5.070 1.109 56.494 1.00 29.22 ? 292 SER A CB 1 ATOM 1057 O OG . SER A 1 138 ? -3.649 0.933 56.354 1.00 35.02 ? 292 SER A OG 1 ATOM 1058 N N . VAL A 1 139 ? -7.890 -0.003 57.146 1.00 23.57 ? 293 VAL A N 1 ATOM 1059 C CA . VAL A 1 139 ? -9.283 0.324 57.411 1.00 22.85 ? 293 VAL A CA 1 ATOM 1060 C C . VAL A 1 139 ? -9.344 1.686 58.077 1.00 23.94 ? 293 VAL A C 1 ATOM 1061 O O . VAL A 1 139 ? -8.711 1.872 59.086 1.00 27.16 ? 293 VAL A O 1 ATOM 1062 C CB . VAL A 1 139 ? -9.902 -0.701 58.404 1.00 25.96 ? 293 VAL A CB 1 ATOM 1063 C CG1 . VAL A 1 139 ? -11.385 -0.421 58.597 1.00 28.22 ? 293 VAL A CG1 1 ATOM 1064 C CG2 . VAL A 1 139 ? -9.628 -2.134 57.956 1.00 30.36 ? 293 VAL A CG2 1 ATOM 1065 N N . THR A 1 140 ? -10.081 2.615 57.495 1.00 22.85 ? 294 THR A N 1 ATOM 1066 C CA . THR A 1 140 ? -10.260 3.965 58.035 1.00 22.87 ? 294 THR A CA 1 ATOM 1067 C C . THR A 1 140 ? -11.637 4.202 58.649 1.00 24.23 ? 294 THR A C 1 ATOM 1068 O O . THR A 1 140 ? -12.669 3.820 58.083 1.00 24.87 ? 294 THR A O 1 ATOM 1069 C CB . THR A 1 140 ? -10.035 5.021 56.975 1.00 23.35 ? 294 THR A CB 1 ATOM 1070 O OG1 . THR A 1 140 ? -10.827 4.717 55.803 1.00 25.67 ? 294 THR A OG1 1 ATOM 1071 C CG2 . THR A 1 140 ? -8.535 5.043 56.550 1.00 23.34 ? 294 THR A CG2 1 ATOM 1072 N N . TRP A 1 141 ? -11.652 4.845 59.820 1.00 21.52 ? 295 TRP A N 1 ATOM 1073 C CA . TRP A 1 141 ? -12.885 5.259 60.435 1.00 23.18 ? 295 TRP A CA 1 ATOM 1074 C C . TRP A 1 141 ? -12.624 6.604 61.102 1.00 23.89 ? 295 TRP A C 1 ATOM 1075 O O . TRP A 1 141 ? -11.459 7.053 61.190 1.00 21.49 ? 295 TRP A O 1 ATOM 1076 C CB . TRP A 1 141 ? -13.359 4.222 61.454 1.00 23.82 ? 295 TRP A CB 1 ATOM 1077 C CG . TRP A 1 141 ? -12.433 4.002 62.609 1.00 22.56 ? 295 TRP A CG 1 ATOM 1078 C CD1 . TRP A 1 141 ? -11.221 3.386 62.593 1.00 21.25 ? 295 TRP A CD1 1 ATOM 1079 C CD2 . TRP A 1 141 ? -12.668 4.391 63.950 1.00 20.90 ? 295 TRP A CD2 1 ATOM 1080 N NE1 . TRP A 1 141 ? -10.690 3.346 63.846 1.00 22.78 ? 295 TRP A NE1 1 ATOM 1081 C CE2 . TRP A 1 141 ? -11.565 3.971 64.705 1.00 21.15 ? 295 TRP A CE2 1 ATOM 1082 C CE3 . TRP A 1 141 ? -13.722 5.039 64.592 1.00 21.94 ? 295 TRP A CE3 1 ATOM 1083 C CZ2 . TRP A 1 141 ? -11.479 4.162 66.071 1.00 21.33 ? 295 TRP A CZ2 1 ATOM 1084 C CZ3 . TRP A 1 141 ? -13.649 5.244 65.966 1.00 21.14 ? 295 TRP A CZ3 1 ATOM 1085 C CH2 . TRP A 1 141 ? -12.548 4.815 66.700 1.00 21.93 ? 295 TRP A CH2 1 ATOM 1086 N N . HIS A 1 142 ? -13.711 7.254 61.521 1.00 21.33 ? 296 HIS A N 1 ATOM 1087 C CA . HIS A 1 142 ? -13.691 8.620 61.973 1.00 20.65 ? 296 HIS A CA 1 ATOM 1088 C C . HIS A 1 142 ? -14.221 8.680 63.387 1.00 23.78 ? 296 HIS A C 1 ATOM 1089 O O . HIS A 1 142 ? -15.097 7.887 63.791 1.00 23.96 ? 296 HIS A O 1 ATOM 1090 C CB . HIS A 1 142 ? -14.571 9.479 61.099 1.00 23.37 ? 296 HIS A CB 1 ATOM 1091 C CG . HIS A 1 142 ? -14.159 9.535 59.667 1.00 24.20 ? 296 HIS A CG 1 ATOM 1092 N ND1 . HIS A 1 142 ? -14.809 10.348 58.780 1.00 24.20 ? 296 HIS A ND1 1 ATOM 1093 C CD2 . HIS A 1 142 ? -13.122 8.973 58.982 1.00 23.87 ? 296 HIS A CD2 1 ATOM 1094 C CE1 . HIS A 1 142 ? -14.208 10.275 57.606 1.00 26.55 ? 296 HIS A CE1 1 ATOM 1095 N NE2 . HIS A 1 142 ? -13.190 9.438 57.698 1.00 23.37 ? 296 HIS A NE2 1 ATOM 1096 N N . HIS A 1 143 ? -13.729 9.623 64.157 1.00 22.73 ? 297 HIS A N 1 ATOM 1097 C CA . HIS A 1 143 ? -14.182 9.796 65.538 1.00 21.63 ? 297 HIS A CA 1 ATOM 1098 C C . HIS A 1 143 ? -14.192 11.272 65.948 1.00 23.76 ? 297 HIS A C 1 ATOM 1099 O O . HIS A 1 143 ? -13.204 12.002 65.712 1.00 23.60 ? 297 HIS A O 1 ATOM 1100 C CB . HIS A 1 143 ? -13.335 9.032 66.522 1.00 21.95 ? 297 HIS A CB 1 ATOM 1101 C CG . HIS A 1 143 ? -13.794 9.176 67.928 1.00 22.78 ? 297 HIS A CG 1 ATOM 1102 N ND1 . HIS A 1 143 ? -13.338 10.186 68.747 1.00 21.89 ? 297 HIS A ND1 1 ATOM 1103 C CD2 . HIS A 1 143 ? -14.694 8.481 68.650 1.00 24.80 ? 297 HIS A CD2 1 ATOM 1104 C CE1 . HIS A 1 143 ? -13.940 10.092 69.919 1.00 25.43 ? 297 HIS A CE1 1 ATOM 1105 N NE2 . HIS A 1 143 ? -14.754 9.063 69.886 1.00 23.17 ? 297 HIS A NE2 1 ATOM 1106 N N . TYR A 1 144 ? -15.274 11.673 66.616 1.00 22.12 ? 298 TYR A N 1 ATOM 1107 C CA . TYR A 1 144 ? -15.282 12.959 67.369 1.00 23.49 ? 298 TYR A CA 1 ATOM 1108 C C . TYR A 1 144 ? -15.923 12.708 68.695 1.00 24.59 ? 298 TYR A C 1 ATOM 1109 O O . TYR A 1 144 ? -16.770 11.829 68.798 1.00 24.88 ? 298 TYR A O 1 ATOM 1110 C CB . TYR A 1 144 ? -16.092 14.009 66.615 1.00 26.09 ? 298 TYR A CB 1 ATOM 1111 C CG . TYR A 1 144 ? -15.535 14.376 65.272 1.00 27.02 ? 298 TYR A CG 1 ATOM 1112 C CD1 . TYR A 1 144 ? -15.821 13.614 64.138 1.00 25.91 ? 298 TYR A CD1 1 ATOM 1113 C CD2 . TYR A 1 144 ? -14.788 15.546 65.103 1.00 26.07 ? 298 TYR A CD2 1 ATOM 1114 C CE1 . TYR A 1 144 ? -15.306 13.985 62.911 1.00 26.29 ? 298 TYR A CE1 1 ATOM 1115 C CE2 . TYR A 1 144 ? -14.275 15.902 63.873 1.00 25.34 ? 298 TYR A CE2 1 ATOM 1116 C CZ . TYR A 1 144 ? -14.516 15.107 62.810 1.00 24.92 ? 298 TYR A CZ 1 ATOM 1117 O OH . TYR A 1 144 ? -14.025 15.500 61.599 1.00 29.31 ? 298 TYR A OH 1 ATOM 1118 N N . TYR A 1 145 ? -15.486 13.427 69.730 1.00 23.53 ? 299 TYR A N 1 ATOM 1119 C CA . TYR A 1 145 ? -16.068 13.233 71.071 1.00 27.27 ? 299 TYR A CA 1 ATOM 1120 C C . TYR A 1 145 ? -17.440 13.905 71.180 1.00 30.56 ? 299 TYR A C 1 ATOM 1121 O O . TYR A 1 145 ? -18.360 13.363 71.840 1.00 30.23 ? 299 TYR A O 1 ATOM 1122 C CB . TYR A 1 145 ? -15.155 13.790 72.142 1.00 25.61 ? 299 TYR A CB 1 ATOM 1123 C CG . TYR A 1 145 ? -13.828 13.136 72.316 1.00 25.21 ? 299 TYR A CG 1 ATOM 1124 C CD1 . TYR A 1 145 ? -12.721 13.594 71.590 1.00 25.03 ? 299 TYR A CD1 1 ATOM 1125 C CD2 . TYR A 1 145 ? -13.644 12.097 73.230 1.00 24.22 ? 299 TYR A CD2 1 ATOM 1126 C CE1 . TYR A 1 145 ? -11.483 13.038 71.769 1.00 26.10 ? 299 TYR A CE1 1 ATOM 1127 C CE2 . TYR A 1 145 ? -12.412 11.543 73.407 1.00 25.23 ? 299 TYR A CE2 1 ATOM 1128 C CZ . TYR A 1 145 ? -11.330 12.003 72.654 1.00 25.55 ? 299 TYR A CZ 1 ATOM 1129 O OH . TYR A 1 145 ? -10.112 11.440 72.838 1.00 28.20 ? 299 TYR A OH 1 ATOM 1130 N N . LEU A 1 146 ? -17.592 15.065 70.532 1.00 31.02 ? 300 LEU A N 1 ATOM 1131 C CA . LEU A 1 146 ? -18.728 16.008 70.761 1.00 37.47 ? 300 LEU A CA 1 ATOM 1132 C C . LEU A 1 146 ? -19.262 16.626 69.489 1.00 41.71 ? 300 LEU A C 1 ATOM 1133 O O . LEU A 1 146 ? -18.657 16.509 68.426 1.00 34.72 ? 300 LEU A O 1 ATOM 1134 C CB . LEU A 1 146 ? -18.272 17.204 71.635 1.00 34.05 ? 300 LEU A CB 1 ATOM 1135 C CG . LEU A 1 146 ? -17.644 16.867 72.974 1.00 36.70 ? 300 LEU A CG 1 ATOM 1136 C CD1 . LEU A 1 146 ? -16.874 18.017 73.586 1.00 41.96 ? 300 LEU A CD1 1 ATOM 1137 C CD2 . LEU A 1 146 ? -18.724 16.408 73.919 1.00 39.76 ? 300 LEU A CD2 1 ATOM 1138 N N . ASN A 1 147 ? -20.384 17.337 69.652 1.00 45.84 ? 301 ASN A N 1 ATOM 1139 C CA . ASN A 1 147 ? -20.956 18.269 68.675 1.00 47.17 ? 301 ASN A CA 1 ATOM 1140 C C . ASN A 1 147 ? -20.340 19.656 68.954 1.00 48.16 ? 301 ASN A C 1 ATOM 1141 O O . ASN A 1 147 ? -20.357 20.133 70.091 1.00 40.73 ? 301 ASN A O 1 ATOM 1142 C CB . ASN A 1 147 ? -22.492 18.276 68.861 1.00 50.06 ? 301 ASN A CB 1 ATOM 1143 C CG . ASN A 1 147 ? -23.242 19.181 67.883 1.00 53.85 ? 301 ASN A CG 1 ATOM 1144 O OD1 . ASN A 1 147 ? -22.677 20.051 67.216 1.00 50.04 ? 301 ASN A OD1 1 ATOM 1145 N ND2 . ASN A 1 147 ? -24.561 18.979 67.819 1.00 49.50 ? 301 ASN A ND2 1 ATOM 1146 N N . GLY A 1 148 ? -19.780 20.293 67.920 1.00 49.65 ? 302 GLY A N 1 ATOM 1147 C CA . GLY A 1 148 ? -19.138 21.628 68.086 1.00 43.16 ? 302 GLY A CA 1 ATOM 1148 C C . GLY A 1 148 ? -20.086 22.701 68.613 1.00 49.33 ? 302 GLY A C 1 ATOM 1149 O O . GLY A 1 148 ? -19.694 23.554 69.448 1.00 44.93 ? 302 GLY A O 1 ATOM 1150 N N . ARG A 1 149 ? -21.345 22.622 68.166 1.00 45.10 ? 303 ARG A N 1 ATOM 1151 C CA . ARG A 1 149 ? -22.402 23.569 68.609 1.00 53.30 ? 303 ARG A CA 1 ATOM 1152 C C . ARG A 1 149 ? -22.787 23.552 70.110 1.00 52.26 ? 303 ARG A C 1 ATOM 1153 O O . ARG A 1 149 ? -23.239 24.575 70.620 1.00 55.79 ? 303 ARG A O 1 ATOM 1154 C CB . ARG A 1 149 ? -23.683 23.376 67.785 1.00 58.10 ? 303 ARG A CB 1 ATOM 1155 C CG . ARG A 1 149 ? -23.478 23.475 66.292 1.00 66.47 ? 303 ARG A CG 1 ATOM 1156 C CD . ARG A 1 149 ? -24.709 24.058 65.626 1.00 78.02 ? 303 ARG A CD 1 ATOM 1157 N NE . ARG A 1 149 ? -24.792 23.717 64.208 1.00 86.63 ? 303 ARG A NE 1 ATOM 1158 C CZ . ARG A 1 149 ? -25.130 22.519 63.719 1.00 92.13 ? 303 ARG A CZ 1 ATOM 1159 N NH1 . ARG A 1 149 ? -25.189 22.349 62.395 1.00 93.76 ? 303 ARG A NH1 1 ATOM 1160 N NH2 . ARG A 1 149 ? -25.400 21.485 64.530 1.00 93.65 ? 303 ARG A NH2 1 ATOM 1161 N N . THR A 1 150 ? -22.622 22.421 70.808 1.00 44.72 ? 304 THR A N 1 ATOM 1162 C CA . THR A 1 150 ? -23.027 22.284 72.216 1.00 44.60 ? 304 THR A CA 1 ATOM 1163 C C . THR A 1 150 ? -21.903 21.998 73.200 1.00 43.47 ? 304 THR A C 1 ATOM 1164 O O . THR A 1 150 ? -22.123 21.911 74.399 1.00 45.96 ? 304 THR A O 1 ATOM 1165 C CB . THR A 1 150 ? -24.081 21.151 72.358 1.00 50.23 ? 304 THR A CB 1 ATOM 1166 O OG1 . THR A 1 150 ? -23.622 19.980 71.689 1.00 43.69 ? 304 THR A OG1 1 ATOM 1167 C CG2 . THR A 1 150 ? -25.455 21.561 71.715 1.00 52.36 ? 304 THR A CG2 1 ATOM 1168 N N . ALA A 1 151 ? -20.686 21.841 72.724 1.00 42.40 ? 305 ALA A N 1 ATOM 1169 C CA . ALA A 1 151 ? -19.603 21.492 73.603 1.00 43.04 ? 305 ALA A CA 1 ATOM 1170 C C . ALA A 1 151 ? -19.385 22.563 74.684 1.00 43.22 ? 305 ALA A C 1 ATOM 1171 O O . ALA A 1 151 ? -19.531 23.745 74.420 1.00 40.76 ? 305 ALA A O 1 ATOM 1172 C CB . ALA A 1 151 ? -18.337 21.279 72.805 1.00 46.00 ? 305 ALA A CB 1 ATOM 1173 N N . THR A 1 152 ? -19.100 22.109 75.898 1.00 42.02 ? 306 THR A N 1 ATOM 1174 C CA . THR A 1 152 ? -18.721 22.967 76.999 1.00 41.25 ? 306 THR A CA 1 ATOM 1175 C C . THR A 1 152 ? -17.307 22.774 77.351 1.00 38.65 ? 306 THR A C 1 ATOM 1176 O O . THR A 1 152 ? -16.688 21.740 77.076 1.00 37.85 ? 306 THR A O 1 ATOM 1177 C CB . THR A 1 152 ? -19.515 22.719 78.311 1.00 39.99 ? 306 THR A CB 1 ATOM 1178 O OG1 . THR A 1 152 ? -19.123 21.471 78.909 1.00 40.57 ? 306 THR A OG1 1 ATOM 1179 C CG2 . THR A 1 152 ? -20.985 22.797 78.044 1.00 41.51 ? 306 THR A CG2 1 ATOM 1180 N N . ARG A 1 153 ? -16.822 23.772 78.079 1.00 37.16 ? 307 ARG A N 1 ATOM 1181 C CA . ARG A 1 153 ? -15.525 23.749 78.645 1.00 35.55 ? 307 ARG A CA 1 ATOM 1182 C C . ARG A 1 153 ? -15.317 22.541 79.542 1.00 36.04 ? 307 ARG A C 1 ATOM 1183 O O . ARG A 1 153 ? -14.237 21.930 79.492 1.00 33.34 ? 307 ARG A O 1 ATOM 1184 C CB . ARG A 1 153 ? -15.320 25.052 79.421 1.00 38.86 ? 307 ARG A CB 1 ATOM 1185 C CG . ARG A 1 153 ? -13.944 25.252 79.967 1.00 43.80 ? 307 ARG A CG 1 ATOM 1186 C CD . ARG A 1 153 ? -13.900 26.651 80.578 1.00 44.50 ? 307 ARG A CD 1 ATOM 1187 N NE . ARG A 1 153 ? -12.766 26.772 81.440 1.00 50.06 ? 307 ARG A NE 1 ATOM 1188 C CZ . ARG A 1 153 ? -12.728 26.361 82.694 1.00 59.19 ? 307 ARG A CZ 1 ATOM 1189 N NH1 . ARG A 1 153 ? -13.783 25.775 83.269 1.00 64.15 ? 307 ARG A NH1 1 ATOM 1190 N NH2 . ARG A 1 153 ? -11.605 26.531 83.375 1.00 66.09 ? 307 ARG A NH2 1 ATOM 1191 N N . GLU A 1 154 ? -16.323 22.187 80.366 1.00 32.05 ? 308 GLU A N 1 ATOM 1192 C CA . GLU A 1 154 ? -16.180 21.017 81.265 1.00 34.44 ? 308 GLU A CA 1 ATOM 1193 C C . GLU A 1 154 ? -16.074 19.708 80.469 1.00 29.28 ? 308 GLU A C 1 ATOM 1194 O O . GLU A 1 154 ? -15.381 18.816 80.904 1.00 33.74 ? 308 GLU A O 1 ATOM 1195 C CB . GLU A 1 154 ? -17.337 20.854 82.290 1.00 39.32 ? 308 GLU A CB 1 ATOM 1196 C CG . GLU A 1 154 ? -17.161 21.751 83.509 1.00 46.49 ? 308 GLU A CG 1 ATOM 1197 C CD . GLU A 1 154 ? -17.131 23.181 83.062 1.00 53.11 ? 308 GLU A CD 1 ATOM 1198 O OE1 . GLU A 1 154 ? -16.151 23.921 83.378 1.00 59.29 ? 308 GLU A OE1 1 ATOM 1199 O OE2 . GLU A 1 154 ? -18.056 23.489 82.275 1.00 48.21 ? 308 GLU A OE2 1 ATOM 1200 N N . ASP A 1 155 ? -16.738 19.645 79.330 1.00 29.57 ? 309 ASP A N 1 ATOM 1201 C CA . ASP A 1 155 ? -16.668 18.436 78.429 1.00 32.97 ? 309 ASP A CA 1 ATOM 1202 C C . ASP A 1 155 ? -15.229 18.166 77.995 1.00 35.38 ? 309 ASP A C 1 ATOM 1203 O O . ASP A 1 155 ? -14.749 17.002 77.988 1.00 33.97 ? 309 ASP A O 1 ATOM 1204 C CB . ASP A 1 155 ? -17.542 18.606 77.162 1.00 34.18 ? 309 ASP A CB 1 ATOM 1205 C CG . ASP A 1 155 ? -19.020 18.618 77.432 1.00 38.09 ? 309 ASP A CG 1 ATOM 1206 O OD1 . ASP A 1 155 ? -19.475 18.017 78.442 1.00 40.90 ? 309 ASP A OD1 1 ATOM 1207 O OD2 . ASP A 1 155 ? -19.760 19.201 76.596 1.00 40.70 ? 309 ASP A OD2 1 ATOM 1208 N N . PHE A 1 156 ? -14.495 19.249 77.683 1.00 33.38 ? 310 PHE A N 1 ATOM 1209 C CA . PHE A 1 156 ? -13.145 19.124 77.157 1.00 35.52 ? 310 PHE A CA 1 ATOM 1210 C C . PHE A 1 156 ? -12.218 18.633 78.234 1.00 34.21 ? 310 PHE A C 1 ATOM 1211 O O . PHE A 1 156 ? -11.139 18.134 77.935 1.00 33.91 ? 310 PHE A O 1 ATOM 1212 C CB . PHE A 1 156 ? -12.634 20.510 76.571 1.00 32.85 ? 310 PHE A CB 1 ATOM 1213 C CG . PHE A 1 156 ? -12.988 20.739 75.141 1.00 35.96 ? 310 PHE A CG 1 ATOM 1214 C CD1 . PHE A 1 156 ? -14.301 20.938 74.727 1.00 39.94 ? 310 PHE A CD1 1 ATOM 1215 C CD2 . PHE A 1 156 ? -11.996 20.789 74.178 1.00 37.28 ? 310 PHE A CD2 1 ATOM 1216 C CE1 . PHE A 1 156 ? -14.606 21.138 73.374 1.00 41.63 ? 310 PHE A CE1 1 ATOM 1217 C CE2 . PHE A 1 156 ? -12.296 20.997 72.850 1.00 36.20 ? 310 PHE A CE2 1 ATOM 1218 C CZ . PHE A 1 156 ? -13.593 21.168 72.436 1.00 38.68 ? 310 PHE A CZ 1 ATOM 1219 N N . LEU A 1 157 ? -12.599 18.821 79.508 1.00 35.76 ? 311 LEU A N 1 ATOM 1220 C CA . LEU A 1 157 ? -11.801 18.402 80.687 1.00 32.07 ? 311 LEU A CA 1 ATOM 1221 C C . LEU A 1 157 ? -12.294 17.187 81.455 1.00 34.59 ? 311 LEU A C 1 ATOM 1222 O O . LEU A 1 157 ? -11.684 16.806 82.499 1.00 33.96 ? 311 LEU A O 1 ATOM 1223 C CB . LEU A 1 157 ? -11.719 19.576 81.695 1.00 37.66 ? 311 LEU A CB 1 ATOM 1224 C CG . LEU A 1 157 ? -11.363 20.938 81.086 1.00 42.42 ? 311 LEU A CG 1 ATOM 1225 C CD1 . LEU A 1 157 ? -11.584 22.090 82.084 1.00 40.33 ? 311 LEU A CD1 1 ATOM 1226 C CD2 . LEU A 1 157 ? -9.938 20.884 80.580 1.00 39.92 ? 311 LEU A CD2 1 ATOM 1227 N N . ASN A 1 158 ? -13.324 16.515 80.936 1.00 32.64 ? 312 ASN A N 1 ATOM 1228 C CA . ASN A 1 158 ? -13.990 15.428 81.680 1.00 32.69 ? 312 ASN A CA 1 ATOM 1229 C C . ASN A 1 158 ? -13.457 14.036 81.302 1.00 32.11 ? 312 ASN A C 1 ATOM 1230 O O . ASN A 1 158 ? -13.680 13.589 80.177 1.00 30.58 ? 312 ASN A O 1 ATOM 1231 C CB . ASN A 1 158 ? -15.481 15.501 81.384 1.00 31.67 ? 312 ASN A CB 1 ATOM 1232 C CG . ASN A 1 158 ? -16.316 14.541 82.234 1.00 34.13 ? 312 ASN A CG 1 ATOM 1233 O OD1 . ASN A 1 158 ? -15.817 13.655 82.926 1.00 34.48 ? 312 ASN A OD1 1 ATOM 1234 N ND2 . ASN A 1 158 ? -17.608 14.697 82.113 1.00 36.29 ? 312 ASN A ND2 1 ATOM 1235 N N . PRO A 1 159 ? -12.812 13.336 82.240 1.00 34.34 ? 313 PRO A N 1 ATOM 1236 C CA . PRO A 1 159 ? -12.359 11.987 81.924 1.00 36.83 ? 313 PRO A CA 1 ATOM 1237 C C . PRO A 1 159 ? -13.449 11.019 81.487 1.00 37.47 ? 313 PRO A C 1 ATOM 1238 O O . PRO A 1 159 ? -13.107 10.083 80.776 1.00 35.59 ? 313 PRO A O 1 ATOM 1239 C CB . PRO A 1 159 ? -11.673 11.526 83.208 1.00 38.61 ? 313 PRO A CB 1 ATOM 1240 C CG . PRO A 1 159 ? -12.297 12.323 84.272 1.00 36.25 ? 313 PRO A CG 1 ATOM 1241 C CD . PRO A 1 159 ? -12.626 13.637 83.670 1.00 38.18 ? 313 PRO A CD 1 ATOM 1242 N N . ASP A 1 160 ? -14.725 11.214 81.864 1.00 35.46 ? 314 ASP A N 1 ATOM 1243 C CA . ASP A 1 160 ? -15.790 10.345 81.387 1.00 35.96 ? 314 ASP A CA 1 ATOM 1244 C C . ASP A 1 160 ? -16.080 10.587 79.921 1.00 34.71 ? 314 ASP A C 1 ATOM 1245 O O . ASP A 1 160 ? -16.555 9.683 79.232 1.00 39.81 ? 314 ASP A O 1 ATOM 1246 C CB . ASP A 1 160 ? -17.126 10.503 82.165 1.00 38.62 ? 314 ASP A CB 1 ATOM 1247 C CG . ASP A 1 160 ? -16.989 10.240 83.675 1.00 46.02 ? 314 ASP A CG 1 ATOM 1248 O OD1 . ASP A 1 160 ? -16.032 9.549 84.125 1.00 42.92 ? 314 ASP A OD1 1 ATOM 1249 O OD2 . ASP A 1 160 ? -17.857 10.772 84.417 1.00 53.34 ? 314 ASP A OD2 1 ATOM 1250 N N . VAL A 1 161 ? -15.862 11.796 79.439 1.00 30.94 ? 315 VAL A N 1 ATOM 1251 C CA . VAL A 1 161 ? -15.948 12.064 77.989 1.00 31.79 ? 315 VAL A CA 1 ATOM 1252 C C . VAL A 1 161 ? -14.726 11.416 77.301 1.00 28.17 ? 315 VAL A C 1 ATOM 1253 O O . VAL A 1 161 ? -14.901 10.712 76.315 1.00 29.41 ? 315 VAL A O 1 ATOM 1254 C CB . VAL A 1 161 ? -16.057 13.578 77.718 1.00 33.29 ? 315 VAL A CB 1 ATOM 1255 C CG1 . VAL A 1 161 ? -15.947 13.918 76.232 1.00 33.17 ? 315 VAL A CG1 1 ATOM 1256 C CG2 . VAL A 1 161 ? -17.378 14.092 78.310 1.00 35.80 ? 315 VAL A CG2 1 ATOM 1257 N N . LEU A 1 162 ? -13.524 11.623 77.836 1.00 27.20 ? 316 LEU A N 1 ATOM 1258 C CA . LEU A 1 162 ? -12.317 11.064 77.226 1.00 29.06 ? 316 LEU A CA 1 ATOM 1259 C C . LEU A 1 162 ? -12.402 9.527 77.112 1.00 30.99 ? 316 LEU A C 1 ATOM 1260 O O . LEU A 1 162 ? -12.004 8.936 76.116 1.00 29.47 ? 316 LEU A O 1 ATOM 1261 C CB . LEU A 1 162 ? -11.108 11.396 78.045 1.00 27.02 ? 316 LEU A CB 1 ATOM 1262 C CG . LEU A 1 162 ? -10.656 12.873 78.113 1.00 26.72 ? 316 LEU A CG 1 ATOM 1263 C CD1 . LEU A 1 162 ? -9.370 12.935 78.902 1.00 28.97 ? 316 LEU A CD1 1 ATOM 1264 C CD2 . LEU A 1 162 ? -10.473 13.458 76.767 1.00 30.47 ? 316 LEU A CD2 1 ATOM 1265 N N . ASP A 1 163 ? -12.906 8.885 78.159 1.00 28.07 ? 317 ASP A N 1 ATOM 1266 C CA . ASP A 1 163 ? -12.999 7.435 78.162 1.00 28.25 ? 317 ASP A CA 1 ATOM 1267 C C . ASP A 1 163 ? -13.942 6.780 77.157 1.00 28.07 ? 317 ASP A C 1 ATOM 1268 O O . ASP A 1 163 ? -13.755 5.591 76.858 1.00 27.52 ? 317 ASP A O 1 ATOM 1269 C CB . ASP A 1 163 ? -13.428 6.943 79.581 1.00 31.69 ? 317 ASP A CB 1 ATOM 1270 C CG . ASP A 1 163 ? -12.326 7.084 80.605 1.00 35.76 ? 317 ASP A CG 1 ATOM 1271 O OD1 . ASP A 1 163 ? -11.128 7.246 80.242 1.00 31.24 ? 317 ASP A OD1 1 ATOM 1272 O OD2 . ASP A 1 163 ? -12.678 6.988 81.817 1.00 36.11 ? 317 ASP A OD2 1 ATOM 1273 N N . ILE A 1 164 ? -14.901 7.518 76.608 1.00 24.93 ? 318 ILE A N 1 ATOM 1274 C CA . ILE A 1 164 ? -15.809 6.932 75.631 1.00 30.36 ? 318 ILE A CA 1 ATOM 1275 C C . ILE A 1 164 ? -15.083 6.488 74.360 1.00 27.66 ? 318 ILE A C 1 ATOM 1276 O O . ILE A 1 164 ? -15.557 5.638 73.622 1.00 26.20 ? 318 ILE A O 1 ATOM 1277 C CB . ILE A 1 164 ? -16.957 7.865 75.232 1.00 30.88 ? 318 ILE A CB 1 ATOM 1278 C CG1 . ILE A 1 164 ? -16.429 8.994 74.281 1.00 38.18 ? 318 ILE A CG1 1 ATOM 1279 C CG2 . ILE A 1 164 ? -17.750 8.337 76.503 1.00 33.47 ? 318 ILE A CG2 1 ATOM 1280 C CD1 . ILE A 1 164 ? -17.351 10.153 73.975 1.00 38.33 ? 318 ILE A CD1 1 ATOM 1281 N N . PHE A 1 165 ? -13.960 7.131 74.080 1.00 25.57 ? 319 PHE A N 1 ATOM 1282 C CA . PHE A 1 165 ? -13.152 6.764 72.889 1.00 24.00 ? 319 PHE A CA 1 ATOM 1283 C C . PHE A 1 165 ? -12.736 5.317 72.956 1.00 22.62 ? 319 PHE A C 1 ATOM 1284 O O . PHE A 1 165 ? -12.706 4.624 71.954 1.00 23.68 ? 319 PHE A O 1 ATOM 1285 C CB . PHE A 1 165 ? -11.926 7.713 72.778 1.00 23.01 ? 319 PHE A CB 1 ATOM 1286 C CG . PHE A 1 165 ? -11.031 7.418 71.634 1.00 21.23 ? 319 PHE A CG 1 ATOM 1287 C CD1 . PHE A 1 165 ? -11.483 7.560 70.325 1.00 21.42 ? 319 PHE A CD1 1 ATOM 1288 C CD2 . PHE A 1 165 ? -9.724 7.009 71.871 1.00 21.65 ? 319 PHE A CD2 1 ATOM 1289 C CE1 . PHE A 1 165 ? -10.647 7.298 69.250 1.00 23.45 ? 319 PHE A CE1 1 ATOM 1290 C CE2 . PHE A 1 165 ? -8.880 6.686 70.775 1.00 24.67 ? 319 PHE A CE2 1 ATOM 1291 C CZ . PHE A 1 165 ? -9.341 6.859 69.474 1.00 22.22 ? 319 PHE A CZ 1 ATOM 1292 N N . ILE A 1 166 ? -12.381 4.859 74.140 1.00 22.35 ? 320 ILE A N 1 ATOM 1293 C CA . ILE A 1 166 ? -11.934 3.482 74.385 1.00 24.98 ? 320 ILE A CA 1 ATOM 1294 C C . ILE A 1 166 ? -12.937 2.458 73.836 1.00 25.16 ? 320 ILE A C 1 ATOM 1295 O O . ILE A 1 166 ? -12.532 1.531 73.071 1.00 22.06 ? 320 ILE A O 1 ATOM 1296 C CB . ILE A 1 166 ? -11.655 3.255 75.877 1.00 24.38 ? 320 ILE A CB 1 ATOM 1297 C CG1 . ILE A 1 166 ? -10.467 4.109 76.364 1.00 26.37 ? 320 ILE A CG1 1 ATOM 1298 C CG2 . ILE A 1 166 ? -11.330 1.779 76.172 1.00 24.82 ? 320 ILE A CG2 1 ATOM 1299 C CD1 . ILE A 1 166 ? -10.307 4.247 77.877 1.00 30.53 ? 320 ILE A CD1 1 ATOM 1300 N N . SER A 1 167 ? -14.233 2.615 74.179 1.00 24.82 ? 321 SER A N 1 ATOM 1301 C CA . SER A 1 167 ? -15.264 1.702 73.664 1.00 28.37 ? 321 SER A CA 1 ATOM 1302 C C . SER A 1 167 ? -15.496 1.806 72.167 1.00 27.15 ? 321 SER A C 1 ATOM 1303 O O . SER A 1 167 ? -15.658 0.789 71.517 1.00 26.70 ? 321 SER A O 1 ATOM 1304 C CB . SER A 1 167 ? -16.607 1.807 74.412 1.00 36.48 ? 321 SER A CB 1 ATOM 1305 O OG . SER A 1 167 ? -17.051 3.133 74.382 1.00 42.82 ? 321 SER A OG 1 ATOM 1306 N N . SER A 1 168 ? -15.387 2.997 71.579 1.00 23.92 ? 322 SER A N 1 ATOM 1307 C CA . SER A 1 168 ? -15.368 3.095 70.142 1.00 25.25 ? 322 SER A CA 1 ATOM 1308 C C . SER A 1 168 ? -14.231 2.295 69.510 1.00 22.37 ? 322 SER A C 1 ATOM 1309 O O . SER A 1 168 ? -14.475 1.590 68.537 1.00 23.82 ? 322 SER A O 1 ATOM 1310 C CB . SER A 1 168 ? -15.289 4.550 69.650 1.00 30.38 ? 322 SER A CB 1 ATOM 1311 O OG . SER A 1 168 ? -16.440 5.222 70.054 1.00 37.26 ? 322 SER A OG 1 ATOM 1312 N N . VAL A 1 169 ? -13.025 2.397 70.035 1.00 22.15 ? 323 VAL A N 1 ATOM 1313 C CA . VAL A 1 169 ? -11.868 1.691 69.413 1.00 22.83 ? 323 VAL A CA 1 ATOM 1314 C C . VAL A 1 169 ? -12.106 0.171 69.566 1.00 25.28 ? 323 VAL A C 1 ATOM 1315 O O . VAL A 1 169 ? -11.911 -0.585 68.616 1.00 24.01 ? 323 VAL A O 1 ATOM 1316 C CB . VAL A 1 169 ? -10.567 2.086 70.083 1.00 23.57 ? 323 VAL A CB 1 ATOM 1317 C CG1 . VAL A 1 169 ? -9.409 1.191 69.621 1.00 25.24 ? 323 VAL A CG1 1 ATOM 1318 C CG2 . VAL A 1 169 ? -10.228 3.569 69.857 1.00 22.65 ? 323 VAL A CG2 1 ATOM 1319 N N . GLN A 1 170 ? -12.544 -0.250 70.754 1.00 25.39 ? 324 GLN A N 1 ATOM 1320 C CA . GLN A 1 170 ? -12.894 -1.720 70.958 1.00 25.99 ? 324 GLN A CA 1 ATOM 1321 C C . GLN A 1 170 ? -13.899 -2.237 69.983 1.00 24.55 ? 324 GLN A C 1 ATOM 1322 O O . GLN A 1 170 ? -13.690 -3.309 69.404 1.00 25.75 ? 324 GLN A O 1 ATOM 1323 C CB . GLN A 1 170 ? -13.259 -2.082 72.392 1.00 27.01 ? 324 GLN A CB 1 ATOM 1324 C CG . GLN A 1 170 ? -12.073 -1.936 73.338 1.00 30.51 ? 324 GLN A CG 1 ATOM 1325 C CD . GLN A 1 170 ? -12.241 -2.530 74.734 1.00 37.20 ? 324 GLN A CD 1 ATOM 1326 O OE1 . GLN A 1 170 ? -12.453 -1.831 75.746 1.00 32.77 ? 324 GLN A OE1 1 ATOM 1327 N NE2 . GLN A 1 170 ? -12.025 -3.822 74.811 1.00 41.81 ? 324 GLN A NE2 1 ATOM 1328 N N . LYS A 1 171 ? -14.920 -1.474 69.715 1.00 24.55 ? 325 LYS A N 1 ATOM 1329 C CA . LYS A 1 171 ? -15.937 -1.897 68.780 1.00 28.23 ? 325 LYS A CA 1 ATOM 1330 C C . LYS A 1 171 ? -15.464 -2.025 67.342 1.00 30.21 ? 325 LYS A C 1 ATOM 1331 O O . LYS A 1 171 ? -15.870 -2.906 66.634 1.00 26.54 ? 325 LYS A O 1 ATOM 1332 C CB . LYS A 1 171 ? -17.131 -0.988 68.839 1.00 29.79 ? 325 LYS A CB 1 ATOM 1333 C CG . LYS A 1 171 ? -17.882 -1.160 70.177 1.00 35.28 ? 325 LYS A CG 1 ATOM 1334 C CD . LYS A 1 171 ? -18.868 -0.044 70.462 1.00 40.79 ? 325 LYS A CD 1 ATOM 1335 C CE . LYS A 1 171 ? -19.600 -0.368 71.752 1.00 43.94 ? 325 LYS A CE 1 ATOM 1336 N NZ . LYS A 1 171 ? -20.505 0.774 72.023 1.00 50.84 ? 325 LYS A NZ 1 ATOM 1337 N N . VAL A 1 172 ? -14.615 -1.093 66.900 1.00 27.00 ? 326 VAL A N 1 ATOM 1338 C CA . VAL A 1 172 ? -14.025 -1.182 65.591 1.00 25.01 ? 326 VAL A CA 1 ATOM 1339 C C . VAL A 1 172 ? -13.177 -2.428 65.486 1.00 23.97 ? 326 VAL A C 1 ATOM 1340 O O . VAL A 1 172 ? -13.328 -3.159 64.474 1.00 25.83 ? 326 VAL A O 1 ATOM 1341 C CB . VAL A 1 172 ? -13.203 0.116 65.260 1.00 25.36 ? 326 VAL A CB 1 ATOM 1342 C CG1 . VAL A 1 172 ? -12.443 -0.027 63.969 1.00 26.95 ? 326 VAL A CG1 1 ATOM 1343 C CG2 . VAL A 1 172 ? -14.169 1.289 65.217 1.00 27.12 ? 326 VAL A CG2 1 ATOM 1344 N N . PHE A 1 173 ? -12.292 -2.680 66.479 1.00 23.48 ? 327 PHE A N 1 ATOM 1345 C CA . PHE A 1 173 ? -11.460 -3.884 66.391 1.00 25.44 ? 327 PHE A CA 1 ATOM 1346 C C . PHE A 1 173 ? -12.300 -5.149 66.424 1.00 25.83 ? 327 PHE A C 1 ATOM 1347 O O . PHE A 1 173 ? -11.927 -6.123 65.783 1.00 26.68 ? 327 PHE A O 1 ATOM 1348 C CB . PHE A 1 173 ? -10.338 -3.967 67.430 1.00 25.93 ? 327 PHE A CB 1 ATOM 1349 C CG . PHE A 1 173 ? -9.144 -3.132 67.068 1.00 27.49 ? 327 PHE A CG 1 ATOM 1350 C CD1 . PHE A 1 173 ? -8.224 -3.574 66.116 1.00 31.51 ? 327 PHE A CD1 1 ATOM 1351 C CD2 . PHE A 1 173 ? -8.927 -1.905 67.652 1.00 30.77 ? 327 PHE A CD2 1 ATOM 1352 C CE1 . PHE A 1 173 ? -7.117 -2.806 65.774 1.00 32.52 ? 327 PHE A CE1 1 ATOM 1353 C CE2 . PHE A 1 173 ? -7.802 -1.118 67.282 1.00 30.79 ? 327 PHE A CE2 1 ATOM 1354 C CZ . PHE A 1 173 ? -6.940 -1.549 66.324 1.00 30.24 ? 327 PHE A CZ 1 ATOM 1355 N N . GLN A 1 174 ? -13.430 -5.139 67.114 1.00 26.49 ? 328 GLN A N 1 ATOM 1356 C CA . GLN A 1 174 ? -14.340 -6.308 67.096 1.00 27.62 ? 328 GLN A CA 1 ATOM 1357 C C . GLN A 1 174 ? -14.837 -6.621 65.699 1.00 28.79 ? 328 GLN A C 1 ATOM 1358 O O . GLN A 1 174 ? -14.841 -7.792 65.288 1.00 32.14 ? 328 GLN A O 1 ATOM 1359 C CB . GLN A 1 174 ? -15.547 -6.071 68.001 1.00 30.88 ? 328 GLN A CB 1 ATOM 1360 C CG . GLN A 1 174 ? -15.173 -6.179 69.450 1.00 38.97 ? 328 GLN A CG 1 ATOM 1361 C CD . GLN A 1 174 ? -16.301 -5.849 70.416 1.00 46.30 ? 328 GLN A CD 1 ATOM 1362 O OE1 . GLN A 1 174 ? -17.362 -5.337 70.058 1.00 51.55 ? 328 GLN A OE1 1 ATOM 1363 N NE2 . GLN A 1 174 ? -16.052 -6.126 71.662 1.00 58.54 ? 328 GLN A NE2 1 ATOM 1364 N N . VAL A 1 175 ? -15.195 -5.596 64.942 1.00 24.99 ? 329 VAL A N 1 ATOM 1365 C CA . VAL A 1 175 ? -15.612 -5.792 63.595 1.00 27.29 ? 329 VAL A CA 1 ATOM 1366 C C . VAL A 1 175 ? -14.458 -6.277 62.708 1.00 28.77 ? 329 VAL A C 1 ATOM 1367 O O . VAL A 1 175 ? -14.629 -7.240 61.927 1.00 28.81 ? 329 VAL A O 1 ATOM 1368 C CB . VAL A 1 175 ? -16.264 -4.551 63.014 1.00 27.31 ? 329 VAL A CB 1 ATOM 1369 C CG1 . VAL A 1 175 ? -16.590 -4.779 61.555 1.00 27.67 ? 329 VAL A CG1 1 ATOM 1370 C CG2 . VAL A 1 175 ? -17.526 -4.248 63.817 1.00 31.41 ? 329 VAL A CG2 1 ATOM 1371 N N . VAL A 1 176 ? -13.309 -5.596 62.789 1.00 27.67 ? 330 VAL A N 1 ATOM 1372 C CA . VAL A 1 176 ? -12.171 -5.952 61.954 1.00 26.64 ? 330 VAL A CA 1 ATOM 1373 C C . VAL A 1 176 ? -11.637 -7.373 62.289 1.00 27.89 ? 330 VAL A C 1 ATOM 1374 O O . VAL A 1 176 ? -11.319 -8.157 61.374 1.00 28.58 ? 330 VAL A O 1 ATOM 1375 C CB . VAL A 1 176 ? -11.022 -4.913 62.045 1.00 27.76 ? 330 VAL A CB 1 ATOM 1376 C CG1 . VAL A 1 176 ? -9.843 -5.329 61.181 1.00 27.89 ? 330 VAL A CG1 1 ATOM 1377 C CG2 . VAL A 1 176 ? -11.485 -3.526 61.648 1.00 26.32 ? 330 VAL A CG2 1 ATOM 1378 N N A GLU A 1 177 ? -11.570 -7.714 63.569 0.50 26.78 ? 331 GLU A N 1 ATOM 1379 N N B GLU A 1 177 ? -11.549 -7.717 63.557 0.50 28.21 ? 331 GLU A N 1 ATOM 1380 C CA A GLU A 1 177 ? -11.085 -9.044 63.982 0.50 30.49 ? 331 GLU A CA 1 ATOM 1381 C CA B GLU A 1 177 ? -11.039 -9.040 63.916 0.50 33.17 ? 331 GLU A CA 1 ATOM 1382 C C A GLU A 1 177 ? -11.999 -10.183 63.464 0.50 29.31 ? 331 GLU A C 1 ATOM 1383 C C B GLU A 1 177 ? -12.006 -10.194 63.510 0.50 30.93 ? 331 GLU A C 1 ATOM 1384 O O A GLU A 1 177 ? -11.532 -11.281 63.174 0.50 31.76 ? 331 GLU A O 1 ATOM 1385 O O B GLU A 1 177 ? -11.587 -11.334 63.359 0.50 34.11 ? 331 GLU A O 1 ATOM 1386 C CB A GLU A 1 177 ? -10.797 -9.113 65.510 0.50 31.41 ? 331 GLU A CB 1 ATOM 1387 C CB B GLU A 1 177 ? -10.565 -9.065 65.388 0.50 35.86 ? 331 GLU A CB 1 ATOM 1388 C CG A GLU A 1 177 ? -11.979 -9.480 66.358 0.50 31.49 ? 331 GLU A CG 1 ATOM 1389 C CG B GLU A 1 177 ? -9.285 -8.244 65.638 0.50 36.27 ? 331 GLU A CG 1 ATOM 1390 C CD A GLU A 1 177 ? -11.716 -9.445 67.870 0.50 28.88 ? 331 GLU A CD 1 ATOM 1391 C CD B GLU A 1 177 ? -8.197 -8.309 64.529 0.50 38.19 ? 331 GLU A CD 1 ATOM 1392 O OE1 A GLU A 1 177 ? -10.574 -9.497 68.347 0.50 37.52 ? 331 GLU A OE1 1 ATOM 1393 O OE1 B GLU A 1 177 ? -7.635 -9.376 64.244 0.50 41.37 ? 331 GLU A OE1 1 ATOM 1394 O OE2 A GLU A 1 177 ? -12.680 -9.407 68.587 0.50 27.40 ? 331 GLU A OE2 1 ATOM 1395 O OE2 B GLU A 1 177 ? -7.824 -7.275 63.974 0.50 33.87 ? 331 GLU A OE2 1 ATOM 1396 N N . SER A 1 178 ? -13.259 -9.885 63.229 1.00 30.60 ? 332 SER A N 1 ATOM 1397 C CA . SER A 1 178 ? -14.219 -10.880 62.769 1.00 35.01 ? 332 SER A CA 1 ATOM 1398 C C . SER A 1 178 ? -14.272 -11.003 61.240 1.00 40.25 ? 332 SER A C 1 ATOM 1399 O O . SER A 1 178 ? -15.028 -11.842 60.735 1.00 38.37 ? 332 SER A O 1 ATOM 1400 C CB . SER A 1 178 ? -15.625 -10.509 63.287 1.00 36.56 ? 332 SER A CB 1 ATOM 1401 O OG . SER A 1 178 ? -16.177 -9.393 62.561 1.00 38.33 ? 332 SER A OG 1 ATOM 1402 N N . THR A 1 179 ? -13.557 -10.137 60.506 1.00 33.61 ? 333 THR A N 1 ATOM 1403 C CA . THR A 1 179 ? -13.617 -10.131 59.036 1.00 34.30 ? 333 THR A CA 1 ATOM 1404 C C . THR A 1 179 ? -12.256 -10.098 58.322 1.00 37.43 ? 333 THR A C 1 ATOM 1405 O O . THR A 1 179 ? -12.075 -10.778 57.309 1.00 36.00 ? 333 THR A O 1 ATOM 1406 C CB . THR A 1 179 ? -14.393 -8.927 58.516 1.00 40.56 ? 333 THR A CB 1 ATOM 1407 O OG1 . THR A 1 179 ? -13.832 -7.716 59.109 1.00 41.37 ? 333 THR A OG1 1 ATOM 1408 C CG2 . THR A 1 179 ? -15.845 -9.037 58.827 1.00 36.64 ? 333 THR A CG2 1 ATOM 1409 N N . ARG A 1 180 ? -11.312 -9.295 58.808 1.00 34.24 ? 334 ARG A N 1 ATOM 1410 C CA . ARG A 1 180 ? -9.979 -9.199 58.217 1.00 32.93 ? 334 ARG A CA 1 ATOM 1411 C C . ARG A 1 180 ? -8.944 -9.078 59.276 1.00 31.80 ? 334 ARG A C 1 ATOM 1412 O O . ARG A 1 180 ? -8.345 -8.011 59.441 1.00 32.90 ? 334 ARG A O 1 ATOM 1413 C CB . ARG A 1 180 ? -9.882 -7.968 57.298 1.00 32.94 ? 334 ARG A CB 1 ATOM 1414 C CG . ARG A 1 180 ? -10.825 -7.927 56.126 1.00 31.10 ? 334 ARG A CG 1 ATOM 1415 C CD . ARG A 1 180 ? -10.439 -8.980 55.059 1.00 31.40 ? 334 ARG A CD 1 ATOM 1416 N NE . ARG A 1 180 ? -11.557 -9.144 54.136 1.00 33.03 ? 334 ARG A NE 1 ATOM 1417 C CZ . ARG A 1 180 ? -11.565 -9.904 53.038 1.00 36.76 ? 334 ARG A CZ 1 ATOM 1418 N NH1 . ARG A 1 180 ? -10.488 -10.550 52.647 1.00 39.43 ? 334 ARG A NH1 1 ATOM 1419 N NH2 . ARG A 1 180 ? -12.657 -9.981 52.314 1.00 39.30 ? 334 ARG A NH2 1 ATOM 1420 N N . PRO A 1 181 ? -8.694 -10.172 60.021 1.00 33.79 ? 335 PRO A N 1 ATOM 1421 C CA . PRO A 1 181 ? -7.821 -10.077 61.181 1.00 33.55 ? 335 PRO A CA 1 ATOM 1422 C C . PRO A 1 181 ? -6.437 -9.646 60.823 1.00 33.59 ? 335 PRO A C 1 ATOM 1423 O O . PRO A 1 181 ? -5.910 -10.126 59.820 1.00 31.84 ? 335 PRO A O 1 ATOM 1424 C CB . PRO A 1 181 ? -7.776 -11.518 61.735 1.00 34.88 ? 335 PRO A CB 1 ATOM 1425 C CG . PRO A 1 181 ? -8.545 -12.361 60.805 1.00 38.60 ? 335 PRO A CG 1 ATOM 1426 C CD . PRO A 1 181 ? -9.346 -11.493 59.894 1.00 37.59 ? 335 PRO A CD 1 ATOM 1427 N N . GLY A 1 182 ? -5.825 -8.764 61.610 1.00 31.31 ? 336 GLY A N 1 ATOM 1428 C CA . GLY A 1 182 ? -4.496 -8.261 61.260 1.00 33.03 ? 336 GLY A CA 1 ATOM 1429 C C . GLY A 1 182 ? -4.427 -7.057 60.331 1.00 30.88 ? 336 GLY A C 1 ATOM 1430 O O . GLY A 1 182 ? -3.375 -6.468 60.190 1.00 31.35 ? 336 GLY A O 1 ATOM 1431 N N . LYS A 1 183 ? -5.517 -6.709 59.650 1.00 27.56 ? 337 LYS A N 1 ATOM 1432 C CA . LYS A 1 183 ? -5.534 -5.553 58.801 1.00 26.97 ? 337 LYS A CA 1 ATOM 1433 C C . LYS A 1 183 ? -5.308 -4.324 59.660 1.00 28.17 ? 337 LYS A C 1 ATOM 1434 O O . LYS A 1 183 ? -5.908 -4.236 60.742 1.00 29.41 ? 337 LYS A O 1 ATOM 1435 C CB . LYS A 1 183 ? -6.869 -5.463 58.152 1.00 28.83 ? 337 LYS A CB 1 ATOM 1436 C CG . LYS A 1 183 ? -7.059 -4.384 57.144 1.00 31.91 ? 337 LYS A CG 1 ATOM 1437 C CD . LYS A 1 183 ? -6.418 -4.703 55.839 1.00 37.18 ? 337 LYS A CD 1 ATOM 1438 C CE . LYS A 1 183 ? -7.230 -5.662 54.999 1.00 34.49 ? 337 LYS A CE 1 ATOM 1439 N NZ . LYS A 1 183 ? -6.442 -5.824 53.772 1.00 34.38 ? 337 LYS A NZ 1 ATOM 1440 N N . LYS A 1 184 ? -4.493 -3.396 59.171 1.00 25.90 ? 338 LYS A N 1 ATOM 1441 C CA . LYS A 1 184 ? -4.160 -2.198 59.948 1.00 27.58 ? 338 LYS A CA 1 ATOM 1442 C C . LYS A 1 184 ? -5.385 -1.310 60.055 1.00 25.68 ? 338 LYS A C 1 ATOM 1443 O O . LYS A 1 184 ? -6.176 -1.244 59.142 1.00 26.18 ? 338 LYS A O 1 ATOM 1444 C CB . LYS A 1 184 ? -3.015 -1.446 59.308 1.00 29.51 ? 338 LYS A CB 1 ATOM 1445 C CG . LYS A 1 184 ? -1.712 -2.218 59.278 1.00 36.62 ? 338 LYS A CG 1 ATOM 1446 C CD . LYS A 1 184 ? -1.267 -2.592 60.715 1.00 39.39 ? 338 LYS A CD 1 ATOM 1447 C CE . LYS A 1 184 ? 0.061 -3.342 60.841 1.00 43.71 ? 338 LYS A CE 1 ATOM 1448 N NZ . LYS A 1 184 ? 1.023 -2.805 59.848 1.00 55.09 ? 338 LYS A NZ 1 ATOM 1449 N N . VAL A 1 185 ? -5.531 -0.643 61.187 1.00 24.63 ? 339 VAL A N 1 ATOM 1450 C CA . VAL A 1 185 ? -6.657 0.211 61.448 1.00 23.18 ? 339 VAL A CA 1 ATOM 1451 C C . VAL A 1 185 ? -6.142 1.639 61.681 1.00 20.59 ? 339 VAL A C 1 ATOM 1452 O O . VAL A 1 185 ? -5.254 1.846 62.472 1.00 22.15 ? 339 VAL A O 1 ATOM 1453 C CB . VAL A 1 185 ? -7.454 -0.273 62.685 1.00 24.65 ? 339 VAL A CB 1 ATOM 1454 C CG1 . VAL A 1 185 ? -8.620 0.669 62.921 1.00 24.76 ? 339 VAL A CG1 1 ATOM 1455 C CG2 . VAL A 1 185 ? -7.995 -1.681 62.413 1.00 25.91 ? 339 VAL A CG2 1 ATOM 1456 N N . TRP A 1 186 ? -6.680 2.566 60.917 1.00 21.99 ? 340 TRP A N 1 ATOM 1457 C CA . TRP A 1 186 ? -6.354 4.003 60.953 1.00 21.79 ? 340 TRP A CA 1 ATOM 1458 C C . TRP A 1 186 ? -7.565 4.846 61.363 1.00 23.16 ? 340 TRP A C 1 ATOM 1459 O O . TRP A 1 186 ? -8.684 4.623 60.881 1.00 22.19 ? 340 TRP A O 1 ATOM 1460 C CB . TRP A 1 186 ? -5.923 4.452 59.574 1.00 21.12 ? 340 TRP A CB 1 ATOM 1461 C CG . TRP A 1 186 ? -4.580 3.901 59.110 1.00 23.38 ? 340 TRP A CG 1 ATOM 1462 C CD1 . TRP A 1 186 ? -3.785 2.971 59.720 1.00 23.32 ? 340 TRP A CD1 1 ATOM 1463 C CD2 . TRP A 1 186 ? -3.881 4.299 57.927 1.00 23.44 ? 340 TRP A CD2 1 ATOM 1464 N NE1 . TRP A 1 186 ? -2.652 2.792 58.997 1.00 25.23 ? 340 TRP A NE1 1 ATOM 1465 C CE2 . TRP A 1 186 ? -2.698 3.578 57.886 1.00 23.98 ? 340 TRP A CE2 1 ATOM 1466 C CE3 . TRP A 1 186 ? -4.160 5.195 56.909 1.00 24.81 ? 340 TRP A CE3 1 ATOM 1467 C CZ2 . TRP A 1 186 ? -1.751 3.762 56.877 1.00 26.90 ? 340 TRP A CZ2 1 ATOM 1468 C CZ3 . TRP A 1 186 ? -3.233 5.360 55.898 1.00 23.58 ? 340 TRP A CZ3 1 ATOM 1469 C CH2 . TRP A 1 186 ? -2.038 4.680 55.926 1.00 26.28 ? 340 TRP A CH2 1 ATOM 1470 N N . LEU A 1 187 ? -7.327 5.877 62.183 1.00 21.67 ? 341 LEU A N 1 ATOM 1471 C CA . LEU A 1 187 ? -8.293 6.970 62.296 1.00 21.60 ? 341 LEU A CA 1 ATOM 1472 C C . LEU A 1 187 ? -8.110 7.920 61.139 1.00 23.32 ? 341 LEU A C 1 ATOM 1473 O O . LEU A 1 187 ? -7.144 8.669 61.078 1.00 24.21 ? 341 LEU A O 1 ATOM 1474 C CB . LEU A 1 187 ? -8.204 7.713 63.630 1.00 25.40 ? 341 LEU A CB 1 ATOM 1475 C CG . LEU A 1 187 ? -9.112 7.230 64.733 1.00 26.20 ? 341 LEU A CG 1 ATOM 1476 C CD1 . LEU A 1 187 ? -8.689 7.919 66.039 1.00 27.81 ? 341 LEU A CD1 1 ATOM 1477 C CD2 . LEU A 1 187 ? -10.567 7.529 64.412 1.00 25.94 ? 341 LEU A CD2 1 ATOM 1478 N N . GLY A 1 188 ? -9.061 7.888 60.177 1.00 23.56 ? 342 GLY A N 1 ATOM 1479 C CA . GLY A 1 188 ? -8.931 8.615 58.941 1.00 22.72 ? 342 GLY A CA 1 ATOM 1480 C C . GLY A 1 188 ? -9.350 10.045 58.984 1.00 24.59 ? 342 GLY A C 1 ATOM 1481 O O . GLY A 1 188 ? -9.105 10.796 58.040 1.00 23.52 ? 342 GLY A O 1 ATOM 1482 N N . GLU A 1 189 ? -10.055 10.414 60.041 1.00 25.32 ? 343 GLU A N 1 ATOM 1483 C CA . GLU A 1 189 ? -10.504 11.804 60.242 1.00 25.05 ? 343 GLU A CA 1 ATOM 1484 C C . GLU A 1 189 ? -10.980 11.942 61.675 1.00 23.39 ? 343 GLU A C 1 ATOM 1485 O O . GLU A 1 189 ? -11.832 11.181 62.100 1.00 23.30 ? 343 GLU A O 1 ATOM 1486 C CB . GLU A 1 189 ? -11.637 12.152 59.272 1.00 24.05 ? 343 GLU A CB 1 ATOM 1487 C CG . GLU A 1 189 ? -12.119 13.574 59.366 1.00 25.56 ? 343 GLU A CG 1 ATOM 1488 C CD . GLU A 1 189 ? -13.482 13.737 58.728 1.00 30.73 ? 343 GLU A CD 1 ATOM 1489 O OE1 . GLU A 1 189 ? -13.679 13.451 57.526 1.00 31.10 ? 343 GLU A OE1 1 ATOM 1490 O OE2 . GLU A 1 189 ? -14.391 14.075 59.465 1.00 33.34 ? 343 GLU A OE2 1 ATOM 1491 N N . THR A 1 190 ? -10.350 12.813 62.488 1.00 24.22 ? 344 THR A N 1 ATOM 1492 C CA . THR A 1 190 ? -10.708 12.811 63.892 1.00 24.32 ? 344 THR A CA 1 ATOM 1493 C C . THR A 1 190 ? -10.383 14.119 64.545 1.00 25.04 ? 344 THR A C 1 ATOM 1494 O O . THR A 1 190 ? -9.404 14.761 64.189 1.00 23.08 ? 344 THR A O 1 ATOM 1495 C CB . THR A 1 190 ? -10.019 11.631 64.620 1.00 25.36 ? 344 THR A CB 1 ATOM 1496 O OG1 . THR A 1 190 ? -10.656 11.404 65.880 1.00 27.45 ? 344 THR A OG1 1 ATOM 1497 C CG2 . THR A 1 190 ? -8.529 11.800 64.748 1.00 24.27 ? 344 THR A CG2 1 ATOM 1498 N N . SER A 1 191 ? -11.197 14.493 65.517 1.00 22.11 ? 345 SER A N 1 ATOM 1499 C CA . SER A 1 191 ? -10.935 15.664 66.335 1.00 24.02 ? 345 SER A CA 1 ATOM 1500 C C . SER A 1 191 ? -11.837 15.732 67.560 1.00 23.90 ? 345 SER A C 1 ATOM 1501 O O . SER A 1 191 ? -12.502 14.754 67.905 1.00 24.77 ? 345 SER A O 1 ATOM 1502 C CB . SER A 1 191 ? -11.082 16.942 65.533 1.00 26.71 ? 345 SER A CB 1 ATOM 1503 O OG . SER A 1 191 ? -10.410 17.999 66.192 1.00 30.04 ? 345 SER A OG 1 ATOM 1504 N N . SER A 1 192 ? -11.850 16.916 68.196 1.00 23.87 ? 346 SER A N 1 ATOM 1505 C CA . SER A 1 192 ? -12.598 17.134 69.400 1.00 28.06 ? 346 SER A CA 1 ATOM 1506 C C . SER A 1 192 ? -14.105 17.121 69.143 1.00 26.16 ? 346 SER A C 1 ATOM 1507 O O . SER A 1 192 ? -14.887 16.358 69.772 1.00 26.11 ? 346 SER A O 1 ATOM 1508 C CB . SER A 1 192 ? -12.165 18.519 70.031 1.00 27.67 ? 346 SER A CB 1 ATOM 1509 O OG . SER A 1 192 ? -12.328 19.572 69.061 1.00 27.71 ? 346 SER A OG 1 ATOM 1510 N N . ALA A 1 193 ? -14.527 17.966 68.225 1.00 25.35 ? 347 ALA A N 1 ATOM 1511 C CA . ALA A 1 193 ? -15.948 18.265 68.024 1.00 26.20 ? 347 ALA A CA 1 ATOM 1512 C C . ALA A 1 193 ? -16.317 18.391 66.551 1.00 25.42 ? 347 ALA A C 1 ATOM 1513 O O . ALA A 1 193 ? -15.574 19.000 65.780 1.00 27.39 ? 347 ALA A O 1 ATOM 1514 C CB . ALA A 1 193 ? -16.305 19.563 68.782 1.00 26.07 ? 347 ALA A CB 1 ATOM 1515 N N . TYR A 1 194 ? -17.392 17.749 66.120 1.00 27.91 ? 348 TYR A N 1 ATOM 1516 C CA . TYR A 1 194 ? -17.772 17.772 64.697 1.00 31.43 ? 348 TYR A CA 1 ATOM 1517 C C . TYR A 1 194 ? -18.494 19.069 64.364 1.00 31.92 ? 348 TYR A C 1 ATOM 1518 O O . TYR A 1 194 ? -18.843 19.850 65.249 1.00 36.20 ? 348 TYR A O 1 ATOM 1519 C CB . TYR A 1 194 ? -18.547 16.548 64.268 1.00 35.98 ? 348 TYR A CB 1 ATOM 1520 C CG . TYR A 1 194 ? -19.840 16.300 64.982 1.00 39.33 ? 348 TYR A CG 1 ATOM 1521 C CD1 . TYR A 1 194 ? -21.035 16.949 64.583 1.00 50.60 ? 348 TYR A CD1 1 ATOM 1522 C CD2 . TYR A 1 194 ? -19.911 15.390 66.044 1.00 46.10 ? 348 TYR A CD2 1 ATOM 1523 C CE1 . TYR A 1 194 ? -22.256 16.702 65.250 1.00 49.78 ? 348 TYR A CE1 1 ATOM 1524 C CE2 . TYR A 1 194 ? -21.114 15.143 66.724 1.00 51.70 ? 348 TYR A CE2 1 ATOM 1525 C CZ . TYR A 1 194 ? -22.278 15.798 66.314 1.00 55.76 ? 348 TYR A CZ 1 ATOM 1526 O OH . TYR A 1 194 ? -23.430 15.557 66.981 1.00 61.15 ? 348 TYR A OH 1 ATOM 1527 N N . GLY A 1 195 ? -18.689 19.339 63.096 1.00 41.72 ? 349 GLY A N 1 ATOM 1528 C CA . GLY A 1 195 ? -19.400 20.575 62.717 1.00 43.45 ? 349 GLY A CA 1 ATOM 1529 C C . GLY A 1 195 ? -18.470 21.772 62.787 1.00 46.29 ? 349 GLY A C 1 ATOM 1530 O O . GLY A 1 195 ? -18.851 22.860 63.149 1.00 45.22 ? 349 GLY A O 1 ATOM 1531 N N . GLY A 1 196 ? -17.225 21.549 62.464 1.00 47.27 ? 350 GLY A N 1 ATOM 1532 C CA . GLY A 1 196 ? -16.275 22.609 62.402 1.00 51.79 ? 350 GLY A CA 1 ATOM 1533 C C . GLY A 1 196 ? -15.591 22.961 63.695 1.00 45.79 ? 350 GLY A C 1 ATOM 1534 O O . GLY A 1 196 ? -14.833 23.931 63.732 1.00 56.42 ? 350 GLY A O 1 ATOM 1535 N N . GLY A 1 197 ? -15.821 22.251 64.776 1.00 38.85 ? 351 GLY A N 1 ATOM 1536 C CA . GLY A 1 197 ? -15.128 22.659 66.026 1.00 35.02 ? 351 GLY A CA 1 ATOM 1537 C C . GLY A 1 197 ? -16.082 23.353 66.938 1.00 39.66 ? 351 GLY A C 1 ATOM 1538 O O . GLY A 1 197 ? -17.138 23.706 66.524 1.00 45.77 ? 351 GLY A O 1 ATOM 1539 N N . ALA A 1 198 ? -15.674 23.544 68.188 1.00 38.74 ? 352 ALA A N 1 ATOM 1540 C CA . ALA A 1 198 ? -16.367 24.410 69.180 1.00 45.71 ? 352 ALA A CA 1 ATOM 1541 C C . ALA A 1 198 ? -15.618 25.726 69.383 1.00 44.82 ? 352 ALA A C 1 ATOM 1542 O O . ALA A 1 198 ? -14.442 25.702 69.722 1.00 43.42 ? 352 ALA A O 1 ATOM 1543 C CB . ALA A 1 198 ? -16.419 23.684 70.533 1.00 43.95 ? 352 ALA A CB 1 ATOM 1544 N N . PRO A 1 199 ? -16.290 26.878 69.285 1.00 40.06 ? 353 PRO A N 1 ATOM 1545 C CA . PRO A 1 199 ? -15.470 28.130 69.347 1.00 38.15 ? 353 PRO A CA 1 ATOM 1546 C C . PRO A 1 199 ? -14.933 28.506 70.769 1.00 48.89 ? 353 PRO A C 1 ATOM 1547 O O . PRO A 1 199 ? -15.536 28.063 71.759 1.00 54.74 ? 353 PRO A O 1 ATOM 1548 C CB . PRO A 1 199 ? -16.388 29.208 68.755 1.00 44.66 ? 353 PRO A CB 1 ATOM 1549 C CG . PRO A 1 199 ? -17.730 28.551 68.487 1.00 44.09 ? 353 PRO A CG 1 ATOM 1550 C CD . PRO A 1 199 ? -17.608 27.046 68.651 1.00 43.43 ? 353 PRO A CD 1 ATOM 1551 N N . LEU A 1 200 ? -13.849 29.313 70.859 1.00 33.97 ? 354 LEU A N 1 ATOM 1552 C CA . LEU A 1 200 ? -12.937 29.418 72.010 1.00 37.89 ? 354 LEU A CA 1 ATOM 1553 C C . LEU A 1 200 ? -12.689 28.147 72.790 1.00 37.65 ? 354 LEU A C 1 ATOM 1554 O O . LEU A 1 200 ? -12.202 28.232 73.930 1.00 40.49 ? 354 LEU A O 1 ATOM 1555 C CB . LEU A 1 200 ? -13.376 30.499 73.018 1.00 42.74 ? 354 LEU A CB 1 ATOM 1556 C CG . LEU A 1 200 ? -13.300 31.977 72.609 1.00 48.69 ? 354 LEU A CG 1 ATOM 1557 C CD1 . LEU A 1 200 ? -14.042 32.806 73.674 1.00 49.17 ? 354 LEU A CD1 1 ATOM 1558 C CD2 . LEU A 1 200 ? -11.862 32.456 72.493 1.00 47.19 ? 354 LEU A CD2 1 ATOM 1559 N N . LEU A 1 201 ? -12.921 26.965 72.186 1.00 34.45 ? 355 LEU A N 1 ATOM 1560 C CA . LEU A 1 201 ? -12.568 25.701 72.844 1.00 35.45 ? 355 LEU A CA 1 ATOM 1561 C C . LEU A 1 201 ? -11.673 24.814 72.000 1.00 29.93 ? 355 LEU A C 1 ATOM 1562 O O . LEU A 1 201 ? -10.606 24.362 72.459 1.00 32.85 ? 355 LEU A O 1 ATOM 1563 C CB . LEU A 1 201 ? -13.827 24.926 73.233 1.00 37.63 ? 355 LEU A CB 1 ATOM 1564 C CG . LEU A 1 201 ? -14.647 25.604 74.327 1.00 42.33 ? 355 LEU A CG 1 ATOM 1565 C CD1 . LEU A 1 201 ? -15.990 24.899 74.448 1.00 43.31 ? 355 LEU A CD1 1 ATOM 1566 C CD2 . LEU A 1 201 ? -13.905 25.558 75.654 1.00 40.53 ? 355 LEU A CD2 1 ATOM 1567 N N . SER A 1 202 ? -12.120 24.511 70.801 1.00 27.79 ? 356 SER A N 1 ATOM 1568 C CA . SER A 1 202 ? -11.379 23.599 69.914 1.00 27.45 ? 356 SER A CA 1 ATOM 1569 C C . SER A 1 202 ? -10.080 24.147 69.397 1.00 28.15 ? 356 SER A C 1 ATOM 1570 O O . SER A 1 202 ? -9.245 23.400 68.884 1.00 26.91 ? 356 SER A O 1 ATOM 1571 C CB . SER A 1 202 ? -12.252 23.210 68.711 1.00 32.34 ? 356 SER A CB 1 ATOM 1572 O OG . SER A 1 202 ? -13.181 22.231 69.090 1.00 32.60 ? 356 SER A OG 1 ATOM 1573 N N . ASP A 1 203 ? -9.919 25.455 69.522 1.00 26.59 ? 357 ASP A N 1 ATOM 1574 C CA . ASP A 1 203 ? -8.746 26.135 69.076 1.00 26.20 ? 357 ASP A CA 1 ATOM 1575 C C . ASP A 1 203 ? -7.877 26.652 70.221 1.00 27.55 ? 357 ASP A C 1 ATOM 1576 O O . ASP A 1 203 ? -7.003 27.488 69.962 1.00 27.12 ? 357 ASP A O 1 ATOM 1577 C CB . ASP A 1 203 ? -9.138 27.299 68.152 1.00 27.45 ? 357 ASP A CB 1 ATOM 1578 C CG . ASP A 1 203 ? -10.187 28.261 68.745 1.00 33.22 ? 357 ASP A CG 1 ATOM 1579 O OD1 . ASP A 1 203 ? -10.760 28.080 69.846 1.00 31.53 ? 357 ASP A OD1 1 ATOM 1580 O OD2 . ASP A 1 203 ? -10.488 29.241 68.019 1.00 33.88 ? 357 ASP A OD2 1 ATOM 1581 N N . THR A 1 204 ? -8.025 26.114 71.431 1.00 25.07 ? 358 THR A N 1 ATOM 1582 C CA . THR A 1 204 ? -7.303 26.621 72.589 1.00 28.75 ? 358 THR A CA 1 ATOM 1583 C C . THR A 1 204 ? -6.446 25.576 73.220 1.00 27.45 ? 358 THR A C 1 ATOM 1584 O O . THR A 1 204 ? -6.428 24.419 72.787 1.00 27.44 ? 358 THR A O 1 ATOM 1585 C CB . THR A 1 204 ? -8.317 27.194 73.617 1.00 28.31 ? 358 THR A CB 1 ATOM 1586 O OG1 . THR A 1 204 ? -9.140 26.136 74.091 1.00 33.70 ? 358 THR A OG1 1 ATOM 1587 C CG2 . THR A 1 204 ? -9.170 28.265 72.941 1.00 31.24 ? 358 THR A CG2 1 ATOM 1588 N N . PHE A 1 205 ? -5.705 25.981 74.251 1.00 25.28 ? 359 PHE A N 1 ATOM 1589 C CA . PHE A 1 205 ? -4.996 25.041 75.092 1.00 24.17 ? 359 PHE A CA 1 ATOM 1590 C C . PHE A 1 205 ? -5.862 23.907 75.610 1.00 23.89 ? 359 PHE A C 1 ATOM 1591 O O . PHE A 1 205 ? -5.363 22.773 75.715 1.00 24.60 ? 359 PHE A O 1 ATOM 1592 C CB . PHE A 1 205 ? -4.297 25.783 76.262 1.00 24.18 ? 359 PHE A CB 1 ATOM 1593 C CG . PHE A 1 205 ? -3.444 24.904 77.124 1.00 23.51 ? 359 PHE A CG 1 ATOM 1594 C CD1 . PHE A 1 205 ? -3.988 24.289 78.250 1.00 25.15 ? 359 PHE A CD1 1 ATOM 1595 C CD2 . PHE A 1 205 ? -2.130 24.693 76.847 1.00 24.33 ? 359 PHE A CD2 1 ATOM 1596 C CE1 . PHE A 1 205 ? -3.220 23.494 79.069 1.00 25.11 ? 359 PHE A CE1 1 ATOM 1597 C CE2 . PHE A 1 205 ? -1.358 23.906 77.660 1.00 24.29 ? 359 PHE A CE2 1 ATOM 1598 C CZ . PHE A 1 205 ? -1.898 23.294 78.789 1.00 23.97 ? 359 PHE A CZ 1 ATOM 1599 N N . ALA A 1 206 ? -7.108 24.189 75.940 1.00 24.51 ? 360 ALA A N 1 ATOM 1600 C CA . ALA A 1 206 ? -8.016 23.184 76.474 1.00 27.43 ? 360 ALA A CA 1 ATOM 1601 C C . ALA A 1 206 ? -8.272 22.013 75.513 1.00 27.88 ? 360 ALA A C 1 ATOM 1602 O O . ALA A 1 206 ? -8.572 20.927 75.963 1.00 24.77 ? 360 ALA A O 1 ATOM 1603 C CB . ALA A 1 206 ? -9.317 23.794 76.847 1.00 29.43 ? 360 ALA A CB 1 ATOM 1604 N N . ALA A 1 207 ? -8.180 22.258 74.209 1.00 26.43 ? 361 ALA A N 1 ATOM 1605 C CA . ALA A 1 207 ? -8.303 21.207 73.187 1.00 25.76 ? 361 ALA A CA 1 ATOM 1606 C C . ALA A 1 207 ? -7.224 20.133 73.285 1.00 24.11 ? 361 ALA A C 1 ATOM 1607 O O . ALA A 1 207 ? -7.424 19.042 72.782 1.00 24.83 ? 361 ALA A O 1 ATOM 1608 C CB . ALA A 1 207 ? -8.258 21.830 71.784 1.00 28.01 ? 361 ALA A CB 1 ATOM 1609 N N . GLY A 1 208 ? -6.102 20.423 73.925 1.00 21.50 ? 362 GLY A N 1 ATOM 1610 C CA . GLY A 1 208 ? -4.996 19.519 73.982 1.00 22.26 ? 362 GLY A CA 1 ATOM 1611 C C . GLY A 1 208 ? -5.198 18.283 74.844 1.00 23.42 ? 362 GLY A C 1 ATOM 1612 O O . GLY A 1 208 ? -4.519 17.273 74.631 1.00 21.52 ? 362 GLY A O 1 ATOM 1613 N N . PHE A 1 209 ? -6.118 18.342 75.816 1.00 23.02 ? 363 PHE A N 1 ATOM 1614 C CA . PHE A 1 209 ? -6.375 17.161 76.650 1.00 23.33 ? 363 PHE A CA 1 ATOM 1615 C C . PHE A 1 209 ? -6.977 16.083 75.770 1.00 22.27 ? 363 PHE A C 1 ATOM 1616 O O . PHE A 1 209 ? -6.447 14.959 75.747 1.00 25.26 ? 363 PHE A O 1 ATOM 1617 C CB . PHE A 1 209 ? -7.257 17.488 77.886 1.00 23.02 ? 363 PHE A CB 1 ATOM 1618 C CG . PHE A 1 209 ? -6.690 18.553 78.774 1.00 24.06 ? 363 PHE A CG 1 ATOM 1619 C CD1 . PHE A 1 209 ? -5.715 18.265 79.679 1.00 23.92 ? 363 PHE A CD1 1 ATOM 1620 C CD2 . PHE A 1 209 ? -7.142 19.820 78.708 1.00 27.53 ? 363 PHE A CD2 1 ATOM 1621 C CE1 . PHE A 1 209 ? -5.176 19.221 80.515 1.00 25.50 ? 363 PHE A CE1 1 ATOM 1622 C CE2 . PHE A 1 209 ? -6.596 20.798 79.490 1.00 27.23 ? 363 PHE A CE2 1 ATOM 1623 C CZ . PHE A 1 209 ? -5.637 20.503 80.419 1.00 24.87 ? 363 PHE A CZ 1 ATOM 1624 N N . MET A 1 210 ? -7.992 16.413 74.969 1.00 21.45 ? 364 MET A N 1 ATOM 1625 C CA . MET A 1 210 ? -8.568 15.447 74.033 1.00 23.84 ? 364 MET A CA 1 ATOM 1626 C C . MET A 1 210 ? -7.571 14.988 72.993 1.00 26.87 ? 364 MET A C 1 ATOM 1627 O O . MET A 1 210 ? -7.503 13.804 72.680 1.00 24.52 ? 364 MET A O 1 ATOM 1628 C CB . MET A 1 210 ? -9.791 16.019 73.332 1.00 26.51 ? 364 MET A CB 1 ATOM 1629 C CG . MET A 1 210 ? -11.028 15.964 74.224 1.00 28.87 ? 364 MET A CG 1 ATOM 1630 S SD . MET A 1 210 ? -12.436 16.785 73.502 1.00 30.67 ? 364 MET A SD 1 ATOM 1631 C CE . MET A 1 210 ? -13.656 16.062 74.605 1.00 31.22 ? 364 MET A CE 1 ATOM 1632 N N . TRP A 1 211 ? -6.812 15.914 72.426 1.00 23.44 ? 365 TRP A N 1 ATOM 1633 C CA . TRP A 1 211 ? -5.869 15.490 71.386 1.00 22.90 ? 365 TRP A CA 1 ATOM 1634 C C . TRP A 1 211 ? -4.730 14.585 71.915 1.00 22.56 ? 365 TRP A C 1 ATOM 1635 O O . TRP A 1 211 ? -4.490 13.495 71.327 1.00 23.15 ? 365 TRP A O 1 ATOM 1636 C CB . TRP A 1 211 ? -5.344 16.723 70.646 1.00 22.90 ? 365 TRP A CB 1 ATOM 1637 C CG . TRP A 1 211 ? -4.428 16.435 69.542 1.00 22.00 ? 365 TRP A CG 1 ATOM 1638 C CD1 . TRP A 1 211 ? -3.238 17.083 69.286 1.00 21.74 ? 365 TRP A CD1 1 ATOM 1639 C CD2 . TRP A 1 211 ? -4.608 15.490 68.453 1.00 21.60 ? 365 TRP A CD2 1 ATOM 1640 N NE1 . TRP A 1 211 ? -2.701 16.616 68.145 1.00 22.60 ? 365 TRP A NE1 1 ATOM 1641 C CE2 . TRP A 1 211 ? -3.515 15.655 67.593 1.00 22.75 ? 365 TRP A CE2 1 ATOM 1642 C CE3 . TRP A 1 211 ? -5.602 14.559 68.103 1.00 22.55 ? 365 TRP A CE3 1 ATOM 1643 C CZ2 . TRP A 1 211 ? -3.334 14.855 66.426 1.00 22.03 ? 365 TRP A CZ2 1 ATOM 1644 C CZ3 . TRP A 1 211 ? -5.447 13.786 66.918 1.00 21.66 ? 365 TRP A CZ3 1 ATOM 1645 C CH2 . TRP A 1 211 ? -4.306 13.942 66.112 1.00 22.73 ? 365 TRP A CH2 1 ATOM 1646 N N . LEU A 1 212 ? -4.046 14.966 73.008 1.00 21.92 ? 366 LEU A N 1 ATOM 1647 C CA . LEU A 1 212 ? -2.990 14.118 73.516 1.00 20.99 ? 366 LEU A CA 1 ATOM 1648 C C . LEU A 1 212 ? -3.543 12.769 74.059 1.00 21.79 ? 366 LEU A C 1 ATOM 1649 O O . LEU A 1 212 ? -2.934 11.712 73.859 1.00 20.46 ? 366 LEU A O 1 ATOM 1650 C CB . LEU A 1 212 ? -2.239 14.793 74.631 1.00 19.04 ? 366 LEU A CB 1 ATOM 1651 C CG . LEU A 1 212 ? -0.956 14.100 75.111 1.00 22.05 ? 366 LEU A CG 1 ATOM 1652 C CD1 . LEU A 1 212 ? 0.003 13.820 73.987 1.00 22.66 ? 366 LEU A CD1 1 ATOM 1653 C CD2 . LEU A 1 212 ? -0.305 14.924 76.194 1.00 22.69 ? 366 LEU A CD2 1 ATOM 1654 N N . ASP A 1 213 ? -4.691 12.812 74.714 1.00 19.43 ? 367 ASP A N 1 ATOM 1655 C CA . ASP A 1 213 ? -5.285 11.556 75.213 1.00 21.78 ? 367 ASP A CA 1 ATOM 1656 C C . ASP A 1 213 ? -5.673 10.604 74.073 1.00 22.33 ? 367 ASP A C 1 ATOM 1657 O O . ASP A 1 213 ? -5.400 9.404 74.176 1.00 19.34 ? 367 ASP A O 1 ATOM 1658 C CB . ASP A 1 213 ? -6.496 11.789 76.088 1.00 20.62 ? 367 ASP A CB 1 ATOM 1659 C CG . ASP A 1 213 ? -6.748 10.606 77.027 1.00 21.90 ? 367 ASP A CG 1 ATOM 1660 O OD1 . ASP A 1 213 ? -5.860 10.275 77.863 1.00 21.92 ? 367 ASP A OD1 1 ATOM 1661 O OD2 . ASP A 1 213 ? -7.846 10.066 76.924 1.00 23.21 ? 367 ASP A OD2 1 ATOM 1662 N N . LYS A 1 214 ? -6.200 11.159 72.982 1.00 20.17 ? 368 LYS A N 1 ATOM 1663 C CA . LYS A 1 214 ? -6.564 10.339 71.833 1.00 22.28 ? 368 LYS A CA 1 ATOM 1664 C C . LYS A 1 214 ? -5.311 9.698 71.198 1.00 22.95 ? 368 LYS A C 1 ATOM 1665 O O . LYS A 1 214 ? -5.349 8.520 70.806 1.00 20.46 ? 368 LYS A O 1 ATOM 1666 C CB . LYS A 1 214 ? -7.284 11.199 70.818 1.00 21.09 ? 368 LYS A CB 1 ATOM 1667 C CG . LYS A 1 214 ? -7.597 10.465 69.547 1.00 22.38 ? 368 LYS A CG 1 ATOM 1668 C CD . LYS A 1 214 ? -8.557 11.172 68.661 1.00 24.46 ? 368 LYS A CD 1 ATOM 1669 C CE . LYS A 1 214 ? -9.959 11.122 69.224 1.00 25.58 ? 368 LYS A CE 1 ATOM 1670 N NZ . LYS A 1 214 ? -10.716 12.204 68.564 1.00 28.76 ? 368 LYS A NZ 1 ATOM 1671 N N . LEU A 1 215 ? -4.218 10.470 71.076 1.00 20.42 ? 369 LEU A N 1 ATOM 1672 C CA . LEU A 1 215 ? -2.954 9.948 70.586 1.00 20.60 ? 369 LEU A CA 1 ATOM 1673 C C . LEU A 1 215 ? -2.406 8.835 71.470 1.00 21.11 ? 369 LEU A C 1 ATOM 1674 O O . LEU A 1 215 ? -2.047 7.746 71.004 1.00 20.14 ? 369 LEU A O 1 ATOM 1675 C CB . LEU A 1 215 ? -1.907 11.067 70.439 1.00 21.92 ? 369 LEU A CB 1 ATOM 1676 C CG . LEU A 1 215 ? -2.261 12.054 69.318 1.00 21.81 ? 369 LEU A CG 1 ATOM 1677 C CD1 . LEU A 1 215 ? -1.376 13.281 69.468 1.00 24.12 ? 369 LEU A CD1 1 ATOM 1678 C CD2 . LEU A 1 215 ? -2.167 11.409 67.919 1.00 22.67 ? 369 LEU A CD2 1 ATOM 1679 N N . GLY A 1 216 ? -2.471 9.045 72.769 1.00 21.18 ? 370 GLY A N 1 ATOM 1680 C CA . GLY A 1 216 ? -1.979 8.038 73.712 1.00 21.69 ? 370 GLY A CA 1 ATOM 1681 C C . GLY A 1 216 ? -2.796 6.762 73.668 1.00 19.67 ? 370 GLY A C 1 ATOM 1682 O O . GLY A 1 216 ? -2.196 5.647 73.556 1.00 21.29 ? 370 GLY A O 1 ATOM 1683 N N . LEU A 1 217 ? -4.121 6.899 73.664 1.00 19.89 ? 371 LEU A N 1 ATOM 1684 C CA . LEU A 1 217 ? -5.027 5.716 73.597 1.00 20.66 ? 371 LEU A CA 1 ATOM 1685 C C . LEU A 1 217 ? -4.944 5.000 72.264 1.00 21.87 ? 371 LEU A C 1 ATOM 1686 O O . LEU A 1 217 ? -4.876 3.751 72.204 1.00 21.42 ? 371 LEU A O 1 ATOM 1687 C CB . LEU A 1 217 ? -6.462 6.090 73.870 1.00 20.54 ? 371 LEU A CB 1 ATOM 1688 C CG . LEU A 1 217 ? -6.716 6.562 75.325 1.00 20.80 ? 371 LEU A CG 1 ATOM 1689 C CD1 . LEU A 1 217 ? -8.151 7.044 75.398 1.00 20.83 ? 371 LEU A CD1 1 ATOM 1690 C CD2 . LEU A 1 217 ? -6.481 5.389 76.301 1.00 23.86 ? 371 LEU A CD2 1 ATOM 1691 N N . SER A 1 218 ? -4.888 5.781 71.198 1.00 20.51 ? 372 SER A N 1 ATOM 1692 C CA . SER A 1 218 ? -4.770 5.193 69.868 1.00 22.59 ? 372 SER A CA 1 ATOM 1693 C C . SER A 1 218 ? -3.528 4.312 69.740 1.00 20.56 ? 372 SER A C 1 ATOM 1694 O O . SER A 1 218 ? -3.608 3.178 69.253 1.00 20.41 ? 372 SER A O 1 ATOM 1695 C CB . SER A 1 218 ? -4.757 6.264 68.791 1.00 21.87 ? 372 SER A CB 1 ATOM 1696 O OG . SER A 1 218 ? -6.007 6.911 68.664 1.00 21.26 ? 372 SER A OG 1 ATOM 1697 N N . ALA A 1 219 ? -2.399 4.823 70.172 1.00 19.71 ? 373 ALA A N 1 ATOM 1698 C CA . ALA A 1 219 ? -1.138 4.104 70.109 1.00 20.99 ? 373 ALA A CA 1 ATOM 1699 C C . ALA A 1 219 ? -1.167 2.870 70.995 1.00 21.66 ? 373 ALA A C 1 ATOM 1700 O O . ALA A 1 219 ? -0.762 1.783 70.599 1.00 21.31 ? 373 ALA A O 1 ATOM 1701 C CB . ALA A 1 219 ? 0.012 4.993 70.506 1.00 23.05 ? 373 ALA A CB 1 ATOM 1702 N N . ARG A 1 220 ? -1.689 3.082 72.199 1.00 20.42 ? 374 ARG A N 1 ATOM 1703 C CA . ARG A 1 220 ? -1.815 1.976 73.181 1.00 21.81 ? 374 ARG A CA 1 ATOM 1704 C C . ARG A 1 220 ? -2.714 0.839 72.694 1.00 21.98 ? 374 ARG A C 1 ATOM 1705 O O . ARG A 1 220 ? -2.405 -0.338 72.978 1.00 23.94 ? 374 ARG A O 1 ATOM 1706 C CB . ARG A 1 220 ? -2.208 2.511 74.554 1.00 21.34 ? 374 ARG A CB 1 ATOM 1707 C CG . ARG A 1 220 ? -2.310 1.431 75.639 1.00 22.25 ? 374 ARG A CG 1 ATOM 1708 C CD . ARG A 1 220 ? -0.981 0.842 75.986 1.00 22.57 ? 374 ARG A CD 1 ATOM 1709 N NE . ARG A 1 220 ? -1.066 -0.327 76.863 1.00 23.13 ? 374 ARG A NE 1 ATOM 1710 C CZ . ARG A 1 220 ? -1.157 -1.587 76.446 1.00 24.18 ? 374 ARG A CZ 1 ATOM 1711 N NH1 . ARG A 1 220 ? -1.271 -1.892 75.156 1.00 23.47 ? 374 ARG A NH1 1 ATOM 1712 N NH2 . ARG A 1 220 ? -1.168 -2.571 77.390 1.00 25.70 ? 374 ARG A NH2 1 ATOM 1713 N N . MET A 1 221 ? -3.756 1.167 71.958 1.00 21.65 ? 375 MET A N 1 ATOM 1714 C CA . MET A 1 221 ? -4.773 0.222 71.544 1.00 24.15 ? 375 MET A CA 1 ATOM 1715 C C . MET A 1 221 ? -4.542 -0.421 70.185 1.00 24.83 ? 375 MET A C 1 ATOM 1716 O O . MET A 1 221 ? -5.268 -1.377 69.848 1.00 25.82 ? 375 MET A O 1 ATOM 1717 C CB . MET A 1 221 ? -6.198 0.774 71.665 1.00 21.56 ? 375 MET A CB 1 ATOM 1718 C CG . MET A 1 221 ? -6.538 1.182 73.090 1.00 22.99 ? 375 MET A CG 1 ATOM 1719 S SD . MET A 1 221 ? -8.207 1.793 73.332 1.00 25.13 ? 375 MET A SD 1 ATOM 1720 C CE . MET A 1 221 ? -9.062 0.219 73.230 1.00 26.02 ? 375 MET A CE 1 ATOM 1721 N N . GLY A 1 222 ? -3.534 0.009 69.439 1.00 21.68 ? 376 GLY A N 1 ATOM 1722 C CA . GLY A 1 222 ? -3.210 -0.652 68.171 1.00 21.56 ? 376 GLY A CA 1 ATOM 1723 C C . GLY A 1 222 ? -3.643 0.085 66.915 1.00 25.31 ? 376 GLY A C 1 ATOM 1724 O O . GLY A 1 222 ? -3.491 -0.431 65.800 1.00 25.30 ? 376 GLY A O 1 ATOM 1725 N N . ILE A 1 223 ? -4.074 1.339 67.058 1.00 23.09 ? 377 ILE A N 1 ATOM 1726 C CA . ILE A 1 223 ? -4.320 2.170 65.890 1.00 21.01 ? 377 ILE A CA 1 ATOM 1727 C C . ILE A 1 223 ? -2.969 2.650 65.352 1.00 21.32 ? 377 ILE A C 1 ATOM 1728 O O . ILE A 1 223 ? -2.144 3.126 66.096 1.00 22.60 ? 377 ILE A O 1 ATOM 1729 C CB . ILE A 1 223 ? -5.183 3.388 66.254 1.00 24.16 ? 377 ILE A CB 1 ATOM 1730 C CG1 . ILE A 1 223 ? -6.576 2.936 66.752 1.00 26.94 ? 377 ILE A CG1 1 ATOM 1731 C CG2 . ILE A 1 223 ? -5.306 4.400 65.125 1.00 23.65 ? 377 ILE A CG2 1 ATOM 1732 C CD1 . ILE A 1 223 ? -7.523 2.499 65.686 1.00 33.35 ? 377 ILE A CD1 1 ATOM 1733 N N . GLU A 1 224 ? -2.761 2.531 64.036 1.00 19.77 ? 378 GLU A N 1 ATOM 1734 C CA . GLU A 1 224 ? -1.418 2.727 63.427 1.00 20.52 ? 378 GLU A CA 1 ATOM 1735 C C . GLU A 1 224 ? -1.121 4.166 62.981 1.00 20.97 ? 378 GLU A C 1 ATOM 1736 O O . GLU A 1 224 ? 0.026 4.596 62.974 1.00 21.97 ? 378 GLU A O 1 ATOM 1737 C CB . GLU A 1 224 ? -1.267 1.757 62.248 1.00 22.96 ? 378 GLU A CB 1 ATOM 1738 C CG . GLU A 1 224 ? 0.191 1.606 61.858 1.00 26.84 ? 378 GLU A CG 1 ATOM 1739 C CD . GLU A 1 224 ? 0.403 0.952 60.491 1.00 29.29 ? 378 GLU A CD 1 ATOM 1740 O OE1 . GLU A 1 224 ? -0.408 1.179 59.576 1.00 27.46 ? 378 GLU A OE1 1 ATOM 1741 O OE2 . GLU A 1 224 ? 1.414 0.244 60.404 1.00 30.32 ? 378 GLU A OE2 1 ATOM 1742 N N . VAL A 1 225 ? -2.173 4.870 62.551 1.00 22.77 ? 379 VAL A N 1 ATOM 1743 C CA . VAL A 1 225 ? -2.147 6.221 62.009 1.00 19.98 ? 379 VAL A CA 1 ATOM 1744 C C . VAL A 1 225 ? -3.378 6.959 62.517 1.00 22.47 ? 379 VAL A C 1 ATOM 1745 O O . VAL A 1 225 ? -4.518 6.407 62.492 1.00 20.77 ? 379 VAL A O 1 ATOM 1746 C CB . VAL A 1 225 ? -2.072 6.233 60.447 1.00 21.31 ? 379 VAL A CB 1 ATOM 1747 C CG1 . VAL A 1 225 ? -2.227 7.647 59.889 1.00 23.52 ? 379 VAL A CG1 1 ATOM 1748 C CG2 . VAL A 1 225 ? -0.733 5.648 60.015 1.00 24.68 ? 379 VAL A CG2 1 ATOM 1749 N N . VAL A 1 226 ? -3.179 8.205 62.956 1.00 19.97 ? 380 VAL A N 1 ATOM 1750 C CA . VAL A 1 226 ? -4.276 9.100 63.390 1.00 21.96 ? 380 VAL A CA 1 ATOM 1751 C C . VAL A 1 226 ? -4.219 10.390 62.563 1.00 23.14 ? 380 VAL A C 1 ATOM 1752 O O . VAL A 1 226 ? -3.218 11.104 62.611 1.00 23.06 ? 380 VAL A O 1 ATOM 1753 C CB . VAL A 1 226 ? -4.147 9.425 64.893 1.00 21.52 ? 380 VAL A CB 1 ATOM 1754 C CG1 . VAL A 1 226 ? -5.230 10.374 65.398 1.00 21.99 ? 380 VAL A CG1 1 ATOM 1755 C CG2 . VAL A 1 226 ? -4.172 8.138 65.739 1.00 20.83 ? 380 VAL A CG2 1 ATOM 1756 N N . MET A 1 227 ? -5.295 10.669 61.827 1.00 22.55 ? 381 MET A N 1 ATOM 1757 C CA . MET A 1 227 ? -5.387 11.858 60.951 1.00 22.67 ? 381 MET A CA 1 ATOM 1758 C C . MET A 1 227 ? -6.203 12.988 61.550 1.00 22.03 ? 381 MET A C 1 ATOM 1759 O O . MET A 1 227 ? -7.423 12.921 61.624 1.00 21.16 ? 381 MET A O 1 ATOM 1760 C CB . MET A 1 227 ? -5.888 11.434 59.581 1.00 24.38 ? 381 MET A CB 1 ATOM 1761 C CG . MET A 1 227 ? -5.045 10.322 58.961 1.00 26.49 ? 381 MET A CG 1 ATOM 1762 S SD . MET A 1 227 ? -5.629 9.949 57.279 1.00 30.45 ? 381 MET A SD 1 ATOM 1763 C CE . MET A 1 227 ? -4.628 8.523 56.941 1.00 31.32 ? 381 MET A CE 1 ATOM 1764 N N . ARG A 1 228 ? -5.495 14.038 61.984 1.00 21.97 ? 382 ARG A N 1 ATOM 1765 C CA . ARG A 1 228 ? -6.128 15.169 62.635 1.00 23.49 ? 382 ARG A CA 1 ATOM 1766 C C . ARG A 1 228 ? -6.910 16.058 61.683 1.00 21.86 ? 382 ARG A C 1 ATOM 1767 O O . ARG A 1 228 ? -6.316 16.682 60.786 1.00 22.31 ? 382 ARG A O 1 ATOM 1768 C CB . ARG A 1 228 ? -5.090 16.007 63.369 1.00 22.72 ? 382 ARG A CB 1 ATOM 1769 C CG . ARG A 1 228 ? -5.634 17.295 63.976 1.00 23.77 ? 382 ARG A CG 1 ATOM 1770 C CD . ARG A 1 228 ? -6.725 17.093 65.022 1.00 22.63 ? 382 ARG A CD 1 ATOM 1771 N NE . ARG A 1 228 ? -7.142 18.406 65.459 1.00 23.71 ? 382 ARG A NE 1 ATOM 1772 C CZ . ARG A 1 228 ? -6.669 19.066 66.540 1.00 24.35 ? 382 ARG A CZ 1 ATOM 1773 N NH1 . ARG A 1 228 ? -5.796 18.526 67.387 1.00 23.20 ? 382 ARG A NH1 1 ATOM 1774 N NH2 . ARG A 1 228 ? -7.057 20.293 66.779 1.00 24.11 ? 382 ARG A NH2 1 ATOM 1775 N N . GLN A 1 229 ? -8.215 16.166 61.938 1.00 21.97 ? 383 GLN A N 1 ATOM 1776 C CA . GLN A 1 229 ? -9.089 17.186 61.331 1.00 23.14 ? 383 GLN A CA 1 ATOM 1777 C C . GLN A 1 229 ? -8.929 18.489 62.157 1.00 24.84 ? 383 GLN A C 1 ATOM 1778 O O . GLN A 1 229 ? -9.275 18.476 63.315 1.00 21.99 ? 383 GLN A O 1 ATOM 1779 C CB . GLN A 1 229 ? -10.540 16.690 61.368 1.00 24.19 ? 383 GLN A CB 1 ATOM 1780 C CG . GLN A 1 229 ? -11.616 17.625 60.821 1.00 25.52 ? 383 GLN A CG 1 ATOM 1781 C CD . GLN A 1 229 ? -11.801 17.509 59.332 1.00 28.61 ? 383 GLN A CD 1 ATOM 1782 O OE1 . GLN A 1 229 ? -11.043 16.792 58.632 1.00 27.97 ? 383 GLN A OE1 1 ATOM 1783 N NE2 . GLN A 1 229 ? -12.737 18.284 58.813 1.00 29.11 ? 383 GLN A NE2 1 ATOM 1784 N N . VAL A 1 230 ? -8.389 19.607 61.625 1.00 23.77 ? 384 VAL A N 1 ATOM 1785 C CA . VAL A 1 230 ? -7.767 19.767 60.283 1.00 23.51 ? 384 VAL A CA 1 ATOM 1786 C C . VAL A 1 230 ? -6.433 20.494 60.466 1.00 23.77 ? 384 VAL A C 1 ATOM 1787 O O . VAL A 1 230 ? -6.234 21.186 61.485 1.00 23.86 ? 384 VAL A O 1 ATOM 1788 C CB . VAL A 1 230 ? -8.575 20.661 59.325 1.00 27.89 ? 384 VAL A CB 1 ATOM 1789 C CG1 . VAL A 1 230 ? -9.823 20.001 58.879 1.00 31.60 ? 384 VAL A CG1 1 ATOM 1790 C CG2 . VAL A 1 230 ? -8.936 22.023 59.933 1.00 28.06 ? 384 VAL A CG2 1 ATOM 1791 N N . PHE A 1 231 ? -5.521 20.378 59.503 1.00 24.45 ? 385 PHE A N 1 ATOM 1792 C CA . PHE A 1 231 ? -4.262 21.134 59.577 1.00 26.38 ? 385 PHE A CA 1 ATOM 1793 C C . PHE A 1 231 ? -4.557 22.656 59.515 1.00 25.50 ? 385 PHE A C 1 ATOM 1794 O O . PHE A 1 231 ? -4.062 23.433 60.332 1.00 26.60 ? 385 PHE A O 1 ATOM 1795 C CB . PHE A 1 231 ? -3.310 20.722 58.457 1.00 26.62 ? 385 PHE A CB 1 ATOM 1796 C CG . PHE A 1 231 ? -2.016 21.498 58.480 1.00 27.67 ? 385 PHE A CG 1 ATOM 1797 C CD1 . PHE A 1 231 ? -1.154 21.374 59.557 1.00 26.47 ? 385 PHE A CD1 1 ATOM 1798 C CD2 . PHE A 1 231 ? -1.699 22.391 57.462 1.00 30.98 ? 385 PHE A CD2 1 ATOM 1799 C CE1 . PHE A 1 231 ? 0.003 22.117 59.630 1.00 31.08 ? 385 PHE A CE1 1 ATOM 1800 C CE2 . PHE A 1 231 ? -0.533 23.108 57.526 1.00 31.19 ? 385 PHE A CE2 1 ATOM 1801 C CZ . PHE A 1 231 ? 0.321 22.966 58.609 1.00 29.91 ? 385 PHE A CZ 1 ATOM 1802 N N . PHE A 1 232 ? -5.402 23.014 58.558 1.00 26.52 ? 386 PHE A N 1 ATOM 1803 C CA . PHE A 1 232 ? -5.742 24.381 58.191 1.00 27.73 ? 386 PHE A CA 1 ATOM 1804 C C . PHE A 1 232 ? -7.100 24.366 57.522 1.00 27.90 ? 386 PHE A C 1 ATOM 1805 O O . PHE A 1 232 ? -7.390 23.478 56.711 1.00 27.69 ? 386 PHE A O 1 ATOM 1806 C CB . PHE A 1 232 ? -4.640 24.920 57.241 1.00 30.35 ? 386 PHE A CB 1 ATOM 1807 C CG . PHE A 1 232 ? -4.913 26.292 56.732 1.00 29.80 ? 386 PHE A CG 1 ATOM 1808 C CD1 . PHE A 1 232 ? -4.491 27.404 57.470 1.00 29.86 ? 386 PHE A CD1 1 ATOM 1809 C CD2 . PHE A 1 232 ? -5.609 26.485 55.551 1.00 36.22 ? 386 PHE A CD2 1 ATOM 1810 C CE1 . PHE A 1 232 ? -4.757 28.697 57.036 1.00 36.33 ? 386 PHE A CE1 1 ATOM 1811 C CE2 . PHE A 1 232 ? -5.882 27.783 55.099 1.00 38.21 ? 386 PHE A CE2 1 ATOM 1812 C CZ . PHE A 1 232 ? -5.445 28.891 55.840 1.00 37.86 ? 386 PHE A CZ 1 ATOM 1813 N N . GLY A 1 233 ? -7.976 25.305 57.890 1.00 30.03 ? 387 GLY A N 1 ATOM 1814 C CA . GLY A 1 233 ? -9.333 25.311 57.369 1.00 30.34 ? 387 GLY A CA 1 ATOM 1815 C C . GLY A 1 233 ? -10.297 26.144 58.138 1.00 32.17 ? 387 GLY A C 1 ATOM 1816 O O . GLY A 1 233 ? -9.940 26.712 59.165 1.00 32.31 ? 387 GLY A O 1 ATOM 1817 N N . ALA A 1 234 ? -11.547 26.135 57.696 1.00 36.24 ? 388 ALA A N 1 ATOM 1818 C CA . ALA A 1 234 ? -12.616 26.920 58.357 1.00 38.60 ? 388 ALA A CA 1 ATOM 1819 C C . ALA A 1 234 ? -12.922 26.512 59.777 1.00 36.70 ? 388 ALA A C 1 ATOM 1820 O O . ALA A 1 234 ? -13.255 27.368 60.613 1.00 38.59 ? 388 ALA A O 1 ATOM 1821 C CB . ALA A 1 234 ? -13.905 26.873 57.538 1.00 41.46 ? 388 ALA A CB 1 ATOM 1822 N N . GLY A 1 235 ? -12.891 25.221 60.071 1.00 32.11 ? 389 GLY A N 1 ATOM 1823 C CA . GLY A 1 235 ? -13.266 24.768 61.402 1.00 31.86 ? 389 GLY A CA 1 ATOM 1824 C C . GLY A 1 235 ? -12.290 25.195 62.512 1.00 30.56 ? 389 GLY A C 1 ATOM 1825 O O . GLY A 1 235 ? -11.107 25.268 62.266 1.00 28.64 ? 389 GLY A O 1 ATOM 1826 N N . ASN A 1 236 ? -12.820 25.486 63.705 1.00 31.06 ? 390 ASN A N 1 ATOM 1827 C CA . ASN A 1 236 ? -12.051 25.905 64.903 1.00 30.85 ? 390 ASN A CA 1 ATOM 1828 C C . ASN A 1 236 ? -11.093 24.828 65.432 1.00 27.26 ? 390 ASN A C 1 ATOM 1829 O O . ASN A 1 236 ? -10.223 25.111 66.251 1.00 26.71 ? 390 ASN A O 1 ATOM 1830 C CB . ASN A 1 236 ? -13.056 26.318 66.030 1.00 33.53 ? 390 ASN A CB 1 ATOM 1831 C CG . ASN A 1 236 ? -13.765 27.632 65.670 1.00 43.32 ? 390 ASN A CG 1 ATOM 1832 O OD1 . ASN A 1 236 ? -13.114 28.563 65.234 1.00 46.34 ? 390 ASN A OD1 1 ATOM 1833 N ND2 . ASN A 1 236 ? -15.076 27.668 65.759 1.00 47.04 ? 390 ASN A ND2 1 ATOM 1834 N N . TYR A 1 237 ? -11.309 23.586 65.006 1.00 26.16 ? 391 TYR A N 1 ATOM 1835 C CA . TYR A 1 237 ? -10.365 22.497 65.306 1.00 25.11 ? 391 TYR A CA 1 ATOM 1836 C C . TYR A 1 237 ? -9.097 22.479 64.433 1.00 25.11 ? 391 TYR A C 1 ATOM 1837 O O . TYR A 1 237 ? -8.262 21.593 64.549 1.00 25.29 ? 391 TYR A O 1 ATOM 1838 C CB . TYR A 1 237 ? -11.124 21.154 65.269 1.00 26.68 ? 391 TYR A CB 1 ATOM 1839 C CG . TYR A 1 237 ? -11.966 20.880 64.036 1.00 24.01 ? 391 TYR A CG 1 ATOM 1840 C CD1 . TYR A 1 237 ? -11.646 21.374 62.767 1.00 24.43 ? 391 TYR A CD1 1 ATOM 1841 C CD2 . TYR A 1 237 ? -13.097 20.064 64.136 1.00 27.79 ? 391 TYR A CD2 1 ATOM 1842 C CE1 . TYR A 1 237 ? -12.432 21.053 61.660 1.00 27.57 ? 391 TYR A CE1 1 ATOM 1843 C CE2 . TYR A 1 237 ? -13.875 19.752 63.054 1.00 25.82 ? 391 TYR A CE2 1 ATOM 1844 C CZ . TYR A 1 237 ? -13.549 20.263 61.828 1.00 26.00 ? 391 TYR A CZ 1 ATOM 1845 O OH . TYR A 1 237 ? -14.293 19.968 60.757 1.00 29.18 ? 391 TYR A OH 1 ATOM 1846 N N . HIS A 1 238 ? -8.907 23.505 63.618 1.00 24.51 ? 392 HIS A N 1 ATOM 1847 C CA . HIS A 1 238 ? -7.661 23.686 62.925 1.00 26.20 ? 392 HIS A CA 1 ATOM 1848 C C . HIS A 1 238 ? -6.421 23.768 63.822 1.00 22.37 ? 392 HIS A C 1 ATOM 1849 O O . HIS A 1 238 ? -6.478 24.342 64.909 1.00 23.67 ? 392 HIS A O 1 ATOM 1850 C CB . HIS A 1 238 ? -7.729 24.893 61.955 1.00 25.39 ? 392 HIS A CB 1 ATOM 1851 C CG . HIS A 1 238 ? -8.204 26.178 62.567 1.00 29.13 ? 392 HIS A CG 1 ATOM 1852 N ND1 . HIS A 1 238 ? -8.811 27.172 61.814 1.00 30.86 ? 392 HIS A ND1 1 ATOM 1853 C CD2 . HIS A 1 238 ? -8.227 26.623 63.851 1.00 29.50 ? 392 HIS A CD2 1 ATOM 1854 C CE1 . HIS A 1 238 ? -9.128 28.198 62.591 1.00 29.75 ? 392 HIS A CE1 1 ATOM 1855 N NE2 . HIS A 1 238 ? -8.802 27.889 63.836 1.00 29.93 ? 392 HIS A NE2 1 ATOM 1856 N N . LEU A 1 239 ? -5.326 23.182 63.353 1.00 22.04 ? 393 LEU A N 1 ATOM 1857 C CA . LEU A 1 239 ? -3.999 23.338 64.001 1.00 23.65 ? 393 LEU A CA 1 ATOM 1858 C C . LEU A 1 239 ? -3.382 24.742 63.783 1.00 22.51 ? 393 LEU A C 1 ATOM 1859 O O . LEU A 1 239 ? -2.597 25.222 64.605 1.00 22.61 ? 393 LEU A O 1 ATOM 1860 C CB . LEU A 1 239 ? -3.018 22.312 63.506 1.00 22.32 ? 393 LEU A CB 1 ATOM 1861 C CG . LEU A 1 239 ? -3.415 20.841 63.864 1.00 23.02 ? 393 LEU A CG 1 ATOM 1862 C CD1 . LEU A 1 239 ? -2.417 19.904 63.296 1.00 24.26 ? 393 LEU A CD1 1 ATOM 1863 C CD2 . LEU A 1 239 ? -3.559 20.637 65.372 1.00 26.50 ? 393 LEU A CD2 1 ATOM 1864 N N . VAL A 1 240 ? -3.745 25.337 62.661 1.00 24.67 ? 394 VAL A N 1 ATOM 1865 C CA . VAL A 1 240 ? -3.167 26.611 62.192 1.00 26.89 ? 394 VAL A CA 1 ATOM 1866 C C . VAL A 1 240 ? -4.328 27.496 61.791 1.00 29.35 ? 394 VAL A C 1 ATOM 1867 O O . VAL A 1 240 ? -5.241 27.062 61.051 1.00 28.27 ? 394 VAL A O 1 ATOM 1868 C CB . VAL A 1 240 ? -2.197 26.395 61.010 1.00 27.25 ? 394 VAL A CB 1 ATOM 1869 C CG1 . VAL A 1 240 ? -1.691 27.752 60.502 1.00 28.81 ? 394 VAL A CG1 1 ATOM 1870 C CG2 . VAL A 1 240 ? -1.054 25.458 61.383 1.00 26.97 ? 394 VAL A CG2 1 ATOM 1871 N N . ASP A 1 241 ? -4.379 28.711 62.323 1.00 29.03 ? 395 ASP A N 1 ATOM 1872 C CA . ASP A 1 241 ? -5.574 29.492 62.135 1.00 31.29 ? 395 ASP A CA 1 ATOM 1873 C C . ASP A 1 241 ? -5.551 30.290 60.799 1.00 32.59 ? 395 ASP A C 1 ATOM 1874 O O . ASP A 1 241 ? -4.620 30.161 60.016 1.00 32.09 ? 395 ASP A O 1 ATOM 1875 C CB . ASP A 1 241 ? -5.829 30.397 63.361 1.00 34.78 ? 395 ASP A CB 1 ATOM 1876 C CG . ASP A 1 241 ? -4.906 31.598 63.409 1.00 37.93 ? 395 ASP A CG 1 ATOM 1877 O OD1 . ASP A 1 241 ? -4.210 31.907 62.392 1.00 36.19 ? 395 ASP A OD1 1 ATOM 1878 O OD2 . ASP A 1 241 ? -4.871 32.202 64.506 1.00 40.30 ? 395 ASP A OD2 1 ATOM 1879 N N . GLU A 1 242 ? -6.629 31.036 60.566 1.00 40.66 ? 396 GLU A N 1 ATOM 1880 C CA . GLU A 1 242 ? -6.799 31.881 59.338 1.00 47.61 ? 396 GLU A CA 1 ATOM 1881 C C . GLU A 1 242 ? -5.650 32.841 59.006 1.00 48.88 ? 396 GLU A C 1 ATOM 1882 O O . GLU A 1 242 ? -5.453 33.192 57.848 1.00 44.00 ? 396 GLU A O 1 ATOM 1883 C CB . GLU A 1 242 ? -8.120 32.675 59.385 1.00 53.20 ? 396 GLU A CB 1 ATOM 1884 C CG . GLU A 1 242 ? -8.282 33.608 60.602 1.00 54.57 ? 396 GLU A CG 1 ATOM 1885 C CD . GLU A 1 242 ? -9.168 33.023 61.734 1.00 58.12 ? 396 GLU A CD 1 ATOM 1886 O OE1 . GLU A 1 242 ? -9.090 31.785 62.047 1.00 41.42 ? 396 GLU A OE1 1 ATOM 1887 O OE2 . GLU A 1 242 ? -9.953 33.833 62.304 1.00 58.54 ? 396 GLU A OE2 1 ATOM 1888 N N . ASN A 1 243 ? -4.888 33.257 60.010 1.00 44.91 ? 397 ASN A N 1 ATOM 1889 C CA . ASN A 1 243 ? -3.763 34.143 59.804 1.00 47.68 ? 397 ASN A CA 1 ATOM 1890 C C . ASN A 1 243 ? -2.470 33.392 59.664 1.00 44.81 ? 397 ASN A C 1 ATOM 1891 O O . ASN A 1 243 ? -1.423 33.983 59.683 1.00 42.05 ? 397 ASN A O 1 ATOM 1892 C CB . ASN A 1 243 ? -3.718 35.195 60.924 1.00 56.50 ? 397 ASN A CB 1 ATOM 1893 C CG . ASN A 1 243 ? -5.104 35.812 61.198 1.00 63.52 ? 397 ASN A CG 1 ATOM 1894 O OD1 . ASN A 1 243 ? -5.830 36.183 60.262 1.00 65.90 ? 397 ASN A OD1 1 ATOM 1895 N ND2 . ASN A 1 243 ? -5.487 35.901 62.475 1.00 65.49 ? 397 ASN A ND2 1 ATOM 1896 N N . PHE A 1 244 ? -2.542 32.077 59.447 1.00 39.35 ? 398 PHE A N 1 ATOM 1897 C CA . PHE A 1 244 ? -1.389 31.200 59.386 1.00 37.71 ? 398 PHE A CA 1 ATOM 1898 C C . PHE A 1 244 ? -0.584 31.136 60.720 1.00 33.45 ? 398 PHE A C 1 ATOM 1899 O O . PHE A 1 244 ? 0.585 30.785 60.697 1.00 41.06 ? 398 PHE A O 1 ATOM 1900 C CB . PHE A 1 244 ? -0.453 31.473 58.179 1.00 43.70 ? 398 PHE A CB 1 ATOM 1901 C CG . PHE A 1 244 ? -1.157 31.602 56.837 1.00 40.46 ? 398 PHE A CG 1 ATOM 1902 C CD1 . PHE A 1 244 ? -1.710 30.496 56.207 1.00 39.47 ? 398 PHE A CD1 1 ATOM 1903 C CD2 . PHE A 1 244 ? -1.210 32.838 56.182 1.00 48.42 ? 398 PHE A CD2 1 ATOM 1904 C CE1 . PHE A 1 244 ? -2.341 30.585 54.984 1.00 41.87 ? 398 PHE A CE1 1 ATOM 1905 C CE2 . PHE A 1 244 ? -1.833 32.948 54.936 1.00 47.89 ? 398 PHE A CE2 1 ATOM 1906 C CZ . PHE A 1 244 ? -2.414 31.819 54.343 1.00 48.19 ? 398 PHE A CZ 1 ATOM 1907 N N . ASP A 1 245 ? -1.209 31.444 61.845 1.00 34.01 ? 399 ASP A N 1 ATOM 1908 C CA . ASP A 1 245 ? -0.542 31.348 63.147 1.00 33.23 ? 399 ASP A CA 1 ATOM 1909 C C . ASP A 1 245 ? -0.808 29.917 63.753 1.00 31.31 ? 399 ASP A C 1 ATOM 1910 O O . ASP A 1 245 ? -1.953 29.475 63.750 1.00 31.40 ? 399 ASP A O 1 ATOM 1911 C CB . ASP A 1 245 ? -1.133 32.364 64.118 1.00 36.78 ? 399 ASP A CB 1 ATOM 1912 C CG . ASP A 1 245 ? -0.882 33.823 63.709 1.00 42.98 ? 399 ASP A CG 1 ATOM 1913 O OD1 . ASP A 1 245 ? 0.127 34.045 63.048 1.00 42.08 ? 399 ASP A OD1 1 ATOM 1914 O OD2 . ASP A 1 245 ? -1.727 34.682 64.054 1.00 47.67 ? 399 ASP A OD2 1 ATOM 1915 N N . PRO A 1 246 ? 0.216 29.279 64.305 1.00 29.04 ? 400 PRO A N 1 ATOM 1916 C CA . PRO A 1 246 ? -0.038 28.001 64.982 1.00 28.32 ? 400 PRO A CA 1 ATOM 1917 C C . PRO A 1 246 ? -0.726 28.134 66.324 1.00 28.44 ? 400 PRO A C 1 ATOM 1918 O O . PRO A 1 246 ? -0.424 29.034 67.134 1.00 24.88 ? 400 PRO A O 1 ATOM 1919 C CB . PRO A 1 246 ? 1.339 27.392 65.095 1.00 28.16 ? 400 PRO A CB 1 ATOM 1920 C CG . PRO A 1 246 ? 2.278 28.537 65.152 1.00 31.17 ? 400 PRO A CG 1 ATOM 1921 C CD . PRO A 1 246 ? 1.647 29.568 64.286 1.00 29.08 ? 400 PRO A CD 1 ATOM 1922 N N . LEU A 1 247 ? -1.678 27.243 66.541 1.00 26.69 ? 401 LEU A N 1 ATOM 1923 C CA . LEU A 1 247 ? -2.463 27.184 67.783 1.00 25.96 ? 401 LEU A CA 1 ATOM 1924 C C . LEU A 1 247 ? -1.835 26.166 68.738 1.00 22.86 ? 401 LEU A C 1 ATOM 1925 O O . LEU A 1 247 ? -0.912 25.430 68.350 1.00 21.81 ? 401 LEU A O 1 ATOM 1926 C CB . LEU A 1 247 ? -3.914 26.847 67.426 1.00 28.11 ? 401 LEU A CB 1 ATOM 1927 C CG . LEU A 1 247 ? -4.621 27.928 66.578 1.00 31.04 ? 401 LEU A CG 1 ATOM 1928 C CD1 . LEU A 1 247 ? -5.929 27.387 66.056 1.00 29.74 ? 401 LEU A CD1 1 ATOM 1929 C CD2 . LEU A 1 247 ? -4.808 29.246 67.347 1.00 30.33 ? 401 LEU A CD2 1 ATOM 1930 N N . PRO A 1 248 ? -2.288 26.114 70.012 1.00 23.42 ? 402 PRO A N 1 ATOM 1931 C CA . PRO A 1 248 ? -1.628 25.214 70.921 1.00 23.49 ? 402 PRO A CA 1 ATOM 1932 C C . PRO A 1 248 ? -1.511 23.753 70.480 1.00 23.56 ? 402 PRO A C 1 ATOM 1933 O O . PRO A 1 248 ? -0.455 23.136 70.732 1.00 21.77 ? 402 PRO A O 1 ATOM 1934 C CB . PRO A 1 248 ? -2.463 25.337 72.229 1.00 22.23 ? 402 PRO A CB 1 ATOM 1935 C CG . PRO A 1 248 ? -2.872 26.762 72.186 1.00 25.54 ? 402 PRO A CG 1 ATOM 1936 C CD . PRO A 1 248 ? -3.262 26.961 70.728 1.00 24.30 ? 402 PRO A CD 1 ATOM 1937 N N . ASP A 1 249 ? -2.544 23.243 69.836 1.00 24.02 ? 403 ASP A N 1 ATOM 1938 C CA . ASP A 1 249 ? -2.488 21.843 69.359 1.00 22.33 ? 403 ASP A CA 1 ATOM 1939 C C . ASP A 1 249 ? -1.393 21.639 68.297 1.00 23.95 ? 403 ASP A C 1 ATOM 1940 O O . ASP A 1 249 ? -0.892 20.539 68.140 1.00 22.50 ? 403 ASP A O 1 ATOM 1941 C CB . ASP A 1 249 ? -3.817 21.379 68.797 1.00 22.89 ? 403 ASP A CB 1 ATOM 1942 C CG . ASP A 1 249 ? -4.766 20.808 69.870 1.00 25.80 ? 403 ASP A CG 1 ATOM 1943 O OD1 . ASP A 1 249 ? -4.416 20.849 71.079 1.00 25.51 ? 403 ASP A OD1 1 ATOM 1944 O OD2 . ASP A 1 249 ? -5.843 20.283 69.451 1.00 25.46 ? 403 ASP A OD2 1 ATOM 1945 N N . TYR A 1 250 ? -1.070 22.686 67.499 1.00 22.05 ? 404 TYR A N 1 ATOM 1946 C CA . TYR A 1 250 ? 0.070 22.546 66.595 1.00 21.97 ? 404 TYR A CA 1 ATOM 1947 C C . TYR A 1 250 ? 1.327 22.275 67.381 1.00 21.33 ? 404 TYR A C 1 ATOM 1948 O O . TYR A 1 250 ? 2.123 21.362 67.084 1.00 22.67 ? 404 TYR A O 1 ATOM 1949 C CB . TYR A 1 250 ? 0.245 23.801 65.690 1.00 23.05 ? 404 TYR A CB 1 ATOM 1950 C CG . TYR A 1 250 ? 1.474 23.649 64.823 1.00 22.58 ? 404 TYR A CG 1 ATOM 1951 C CD1 . TYR A 1 250 ? 2.735 24.055 65.269 1.00 25.11 ? 404 TYR A CD1 1 ATOM 1952 C CD2 . TYR A 1 250 ? 1.393 23.011 63.599 1.00 24.76 ? 404 TYR A CD2 1 ATOM 1953 C CE1 . TYR A 1 250 ? 3.873 23.882 64.485 1.00 23.89 ? 404 TYR A CE1 1 ATOM 1954 C CE2 . TYR A 1 250 ? 2.530 22.802 62.831 1.00 22.65 ? 404 TYR A CE2 1 ATOM 1955 C CZ . TYR A 1 250 ? 3.768 23.243 63.312 1.00 23.13 ? 404 TYR A CZ 1 ATOM 1956 O OH . TYR A 1 250 ? 4.905 23.031 62.571 1.00 26.80 ? 404 TYR A OH 1 ATOM 1957 N N . TRP A 1 251 ? 1.574 23.094 68.402 1.00 22.05 ? 405 TRP A N 1 ATOM 1958 C CA . TRP A 1 251 ? 2.819 22.985 69.179 1.00 21.77 ? 405 TRP A CA 1 ATOM 1959 C C . TRP A 1 251 ? 2.875 21.635 69.924 1.00 22.52 ? 405 TRP A C 1 ATOM 1960 O O . TRP A 1 251 ? 3.931 21.002 70.061 1.00 23.04 ? 405 TRP A O 1 ATOM 1961 C CB . TRP A 1 251 ? 2.962 24.148 70.165 1.00 21.44 ? 405 TRP A CB 1 ATOM 1962 C CG . TRP A 1 251 ? 3.106 25.482 69.450 1.00 21.46 ? 405 TRP A CG 1 ATOM 1963 C CD1 . TRP A 1 251 ? 2.209 26.510 69.391 1.00 22.80 ? 405 TRP A CD1 1 ATOM 1964 C CD2 . TRP A 1 251 ? 4.214 25.869 68.663 1.00 24.59 ? 405 TRP A CD2 1 ATOM 1965 N NE1 . TRP A 1 251 ? 2.730 27.552 68.619 1.00 25.07 ? 405 TRP A NE1 1 ATOM 1966 C CE2 . TRP A 1 251 ? 3.948 27.165 68.152 1.00 25.09 ? 405 TRP A CE2 1 ATOM 1967 C CE3 . TRP A 1 251 ? 5.435 25.256 68.350 1.00 25.17 ? 405 TRP A CE3 1 ATOM 1968 C CZ2 . TRP A 1 251 ? 4.881 27.863 67.345 1.00 27.83 ? 405 TRP A CZ2 1 ATOM 1969 C CZ3 . TRP A 1 251 ? 6.346 25.947 67.509 1.00 28.05 ? 405 TRP A CZ3 1 ATOM 1970 C CH2 . TRP A 1 251 ? 6.032 27.224 67.012 1.00 25.69 ? 405 TRP A CH2 1 ATOM 1971 N N . LEU A 1 252 ? 1.719 21.239 70.446 1.00 22.94 ? 406 LEU A N 1 ATOM 1972 C CA . LEU A 1 252 ? 1.615 19.896 71.079 1.00 21.22 ? 406 LEU A CA 1 ATOM 1973 C C . LEU A 1 252 ? 1.967 18.778 70.076 1.00 19.55 ? 406 LEU A C 1 ATOM 1974 O O . LEU A 1 252 ? 2.685 17.848 70.384 1.00 21.64 ? 406 LEU A O 1 ATOM 1975 C CB . LEU A 1 252 ? 0.189 19.749 71.621 1.00 21.36 ? 406 LEU A CB 1 ATOM 1976 C CG . LEU A 1 252 ? -0.206 18.401 72.150 1.00 21.66 ? 406 LEU A CG 1 ATOM 1977 C CD1 . LEU A 1 252 ? 0.782 17.873 73.191 1.00 22.47 ? 406 LEU A CD1 1 ATOM 1978 C CD2 . LEU A 1 252 ? -1.623 18.512 72.672 1.00 22.58 ? 406 LEU A CD2 1 ATOM 1979 N N . SER A 1 253 ? 1.442 18.899 68.885 1.00 21.13 ? 407 SER A N 1 ATOM 1980 C CA . SER A 1 253 ? 1.699 17.957 67.844 1.00 20.73 ? 407 SER A CA 1 ATOM 1981 C C . SER A 1 253 ? 3.182 17.916 67.440 1.00 24.14 ? 407 SER A C 1 ATOM 1982 O O . SER A 1 253 ? 3.764 16.838 67.256 1.00 21.35 ? 407 SER A O 1 ATOM 1983 C CB . SER A 1 253 ? 0.804 18.193 66.637 1.00 21.76 ? 407 SER A CB 1 ATOM 1984 O OG . SER A 1 253 ? -0.597 18.079 66.904 1.00 22.12 ? 407 SER A OG 1 ATOM 1985 N N . LEU A 1 254 ? 3.819 19.108 67.316 1.00 24.55 ? 408 LEU A N 1 ATOM 1986 C CA . LEU A 1 254 ? 5.222 19.167 66.989 1.00 23.39 ? 408 LEU A CA 1 ATOM 1987 C C . LEU A 1 254 ? 6.103 18.521 68.100 1.00 23.27 ? 408 LEU A C 1 ATOM 1988 O O . LEU A 1 254 ? 7.013 17.719 67.820 1.00 23.79 ? 408 LEU A O 1 ATOM 1989 C CB . LEU A 1 254 ? 5.584 20.630 66.723 1.00 25.25 ? 408 LEU A CB 1 ATOM 1990 C CG . LEU A 1 254 ? 7.009 20.940 66.257 1.00 28.19 ? 408 LEU A CG 1 ATOM 1991 C CD1 . LEU A 1 254 ? 7.149 20.460 64.821 1.00 29.77 ? 408 LEU A CD1 1 ATOM 1992 C CD2 . LEU A 1 254 ? 7.239 22.449 66.397 1.00 28.14 ? 408 LEU A CD2 1 ATOM 1993 N N . LEU A 1 255 ? 5.822 18.847 69.357 1.00 22.58 ? 409 LEU A N 1 ATOM 1994 C CA . LEU A 1 255 ? 6.549 18.242 70.457 1.00 25.55 ? 409 LEU A CA 1 ATOM 1995 C C . LEU A 1 255 ? 6.375 16.713 70.491 1.00 23.87 ? 409 LEU A C 1 ATOM 1996 O O . LEU A 1 255 ? 7.341 15.968 70.665 1.00 24.84 ? 409 LEU A O 1 ATOM 1997 C CB . LEU A 1 255 ? 6.090 18.882 71.766 1.00 27.90 ? 409 LEU A CB 1 ATOM 1998 C CG . LEU A 1 255 ? 6.879 18.651 73.043 1.00 32.83 ? 409 LEU A CG 1 ATOM 1999 C CD1 . LEU A 1 255 ? 8.287 19.176 72.856 1.00 33.31 ? 409 LEU A CD1 1 ATOM 2000 C CD2 . LEU A 1 255 ? 6.197 19.383 74.214 1.00 32.62 ? 409 LEU A CD2 1 ATOM 2001 N N . PHE A 1 256 ? 5.151 16.242 70.257 1.00 23.80 ? 410 PHE A N 1 ATOM 2002 C CA . PHE A 1 256 ? 4.885 14.801 70.237 1.00 23.15 ? 410 PHE A CA 1 ATOM 2003 C C . PHE A 1 256 ? 5.753 14.143 69.168 1.00 24.15 ? 410 PHE A C 1 ATOM 2004 O O . PHE A 1 256 ? 6.415 13.144 69.425 1.00 24.33 ? 410 PHE A O 1 ATOM 2005 C CB . PHE A 1 256 ? 3.387 14.553 69.932 1.00 22.96 ? 410 PHE A CB 1 ATOM 2006 C CG . PHE A 1 256 ? 2.945 13.131 70.049 1.00 22.97 ? 410 PHE A CG 1 ATOM 2007 C CD1 . PHE A 1 256 ? 3.188 12.196 69.044 1.00 23.34 ? 410 PHE A CD1 1 ATOM 2008 C CD2 . PHE A 1 256 ? 2.217 12.719 71.191 1.00 22.74 ? 410 PHE A CD2 1 ATOM 2009 C CE1 . PHE A 1 256 ? 2.722 10.863 69.201 1.00 26.17 ? 410 PHE A CE1 1 ATOM 2010 C CE2 . PHE A 1 256 ? 1.763 11.422 71.333 1.00 25.63 ? 410 PHE A CE2 1 ATOM 2011 C CZ . PHE A 1 256 ? 2.048 10.473 70.360 1.00 24.57 ? 410 PHE A CZ 1 ATOM 2012 N N . LYS A 1 257 ? 5.779 14.717 67.977 1.00 23.96 ? 411 LYS A N 1 ATOM 2013 C CA . LYS A 1 257 ? 6.655 14.183 66.922 1.00 28.21 ? 411 LYS A CA 1 ATOM 2014 C C . LYS A 1 257 ? 8.136 14.145 67.259 1.00 27.50 ? 411 LYS A C 1 ATOM 2015 O O . LYS A 1 257 ? 8.809 13.231 66.859 1.00 28.49 ? 411 LYS A O 1 ATOM 2016 C CB . LYS A 1 257 ? 6.517 15.027 65.703 1.00 32.97 ? 411 LYS A CB 1 ATOM 2017 C CG . LYS A 1 257 ? 5.230 14.828 64.993 1.00 38.97 ? 411 LYS A CG 1 ATOM 2018 C CD . LYS A 1 257 ? 5.497 14.266 63.632 1.00 39.86 ? 411 LYS A CD 1 ATOM 2019 C CE . LYS A 1 257 ? 4.190 14.390 62.927 1.00 36.13 ? 411 LYS A CE 1 ATOM 2020 N NZ . LYS A 1 257 ? 4.062 13.202 62.112 1.00 31.35 ? 411 LYS A NZ 1 ATOM 2021 N N . LYS A 1 258 ? 8.633 15.151 67.945 1.00 27.61 ? 412 LYS A N 1 ATOM 2022 C CA . LYS A 1 258 ? 10.039 15.230 68.278 1.00 31.71 ? 412 LYS A CA 1 ATOM 2023 C C . LYS A 1 258 ? 10.422 14.206 69.319 1.00 31.17 ? 412 LYS A C 1 ATOM 2024 O O . LYS A 1 258 ? 11.507 13.690 69.248 1.00 29.87 ? 412 LYS A O 1 ATOM 2025 C CB . LYS A 1 258 ? 10.431 16.605 68.831 1.00 37.52 ? 412 LYS A CB 1 ATOM 2026 C CG . LYS A 1 258 ? 10.180 17.775 67.884 1.00 47.14 ? 412 LYS A CG 1 ATOM 2027 C CD . LYS A 1 258 ? 10.560 17.544 66.418 1.00 49.86 ? 412 LYS A CD 1 ATOM 2028 C CE . LYS A 1 258 ? 9.420 17.866 65.470 1.00 52.37 ? 412 LYS A CE 1 ATOM 2029 N NZ . LYS A 1 258 ? 9.788 17.788 64.012 1.00 57.35 ? 412 LYS A NZ 1 ATOM 2030 N N . LEU A 1 259 ? 9.514 13.865 70.237 1.00 27.96 ? 413 LEU A N 1 ATOM 2031 C CA . LEU A 1 259 ? 9.877 13.077 71.407 1.00 24.90 ? 413 LEU A CA 1 ATOM 2032 C C . LEU A 1 259 ? 9.407 11.621 71.413 1.00 26.44 ? 413 LEU A C 1 ATOM 2033 O O . LEU A 1 259 ? 10.084 10.770 72.004 1.00 27.26 ? 413 LEU A O 1 ATOM 2034 C CB . LEU A 1 259 ? 9.366 13.771 72.665 1.00 26.72 ? 413 LEU A CB 1 ATOM 2035 C CG . LEU A 1 259 ? 9.879 15.203 72.908 1.00 25.47 ? 413 LEU A CG 1 ATOM 2036 C CD1 . LEU A 1 259 ? 9.265 15.707 74.192 1.00 28.33 ? 413 LEU A CD1 1 ATOM 2037 C CD2 . LEU A 1 259 ? 11.398 15.200 72.936 1.00 28.01 ? 413 LEU A CD2 1 ATOM 2038 N N . VAL A 1 260 ? 8.283 11.347 70.756 1.00 24.82 ? 414 VAL A N 1 ATOM 2039 C CA . VAL A 1 260 ? 7.610 10.063 70.927 1.00 24.50 ? 414 VAL A CA 1 ATOM 2040 C C . VAL A 1 260 ? 7.975 9.127 69.784 1.00 25.48 ? 414 VAL A C 1 ATOM 2041 O O . VAL A 1 260 ? 7.786 9.460 68.581 1.00 26.71 ? 414 VAL A O 1 ATOM 2042 C CB . VAL A 1 260 ? 6.065 10.230 70.991 1.00 25.33 ? 414 VAL A CB 1 ATOM 2043 C CG1 . VAL A 1 260 ? 5.378 8.867 71.156 1.00 25.40 ? 414 VAL A CG1 1 ATOM 2044 C CG2 . VAL A 1 260 ? 5.643 11.098 72.159 1.00 25.44 ? 414 VAL A CG2 1 ATOM 2045 N N . GLY A 1 261 ? 8.482 7.945 70.140 1.00 25.94 ? 415 GLY A N 1 ATOM 2046 C CA . GLY A 1 261 ? 8.896 6.976 69.129 1.00 27.85 ? 415 GLY A CA 1 ATOM 2047 C C . GLY A 1 261 ? 7.781 6.021 68.700 1.00 26.94 ? 415 GLY A C 1 ATOM 2048 O O . GLY A 1 261 ? 6.650 6.071 69.213 1.00 23.69 ? 415 GLY A O 1 ATOM 2049 N N . THR A 1 262 ? 8.129 5.107 67.791 1.00 24.34 ? 416 THR A N 1 ATOM 2050 C CA . THR A 1 262 ? 7.144 4.229 67.173 1.00 25.88 ? 416 THR A CA 1 ATOM 2051 C C . THR A 1 262 ? 6.811 3.007 68.040 1.00 24.48 ? 416 THR A C 1 ATOM 2052 O O . THR A 1 262 ? 5.764 2.428 67.868 1.00 24.85 ? 416 THR A O 1 ATOM 2053 C CB . THR A 1 262 ? 7.590 3.758 65.785 1.00 26.05 ? 416 THR A CB 1 ATOM 2054 O OG1 . THR A 1 262 ? 8.890 3.212 65.920 1.00 26.31 ? 416 THR A OG1 1 ATOM 2055 C CG2 . THR A 1 262 ? 7.584 4.912 64.768 1.00 25.39 ? 416 THR A CG2 1 ATOM 2056 N N . LYS A 1 263 ? 7.694 2.628 68.942 1.00 23.98 ? 417 LYS A N 1 ATOM 2057 C CA . LYS A 1 263 ? 7.439 1.485 69.809 1.00 23.80 ? 417 LYS A CA 1 ATOM 2058 C C . LYS A 1 263 ? 6.660 1.896 71.015 1.00 22.91 ? 417 LYS A C 1 ATOM 2059 O O . LYS A 1 263 ? 7.114 2.713 71.810 1.00 26.03 ? 417 LYS A O 1 ATOM 2060 C CB . LYS A 1 263 ? 8.747 0.841 70.196 1.00 26.98 ? 417 LYS A CB 1 ATOM 2061 C CG . LYS A 1 263 ? 9.450 0.220 68.995 1.00 32.40 ? 417 LYS A CG 1 ATOM 2062 C CD . LYS A 1 263 ? 10.861 -0.257 69.335 1.00 37.98 ? 417 LYS A CD 1 ATOM 2063 C CE . LYS A 1 263 ? 11.570 -0.865 68.114 1.00 41.88 ? 417 LYS A CE 1 ATOM 2064 N NZ . LYS A 1 263 ? 12.892 -1.406 68.528 1.00 48.54 ? 417 LYS A NZ 1 ATOM 2065 N N . VAL A 1 264 ? 5.507 1.306 71.167 1.00 23.69 ? 418 VAL A N 1 ATOM 2066 C CA . VAL A 1 264 ? 4.558 1.662 72.198 1.00 24.60 ? 418 VAL A CA 1 ATOM 2067 C C . VAL A 1 264 ? 4.751 0.720 73.368 1.00 24.90 ? 418 VAL A C 1 ATOM 2068 O O . VAL A 1 264 ? 4.786 -0.506 73.205 1.00 24.97 ? 418 VAL A O 1 ATOM 2069 C CB . VAL A 1 264 ? 3.131 1.576 71.687 1.00 22.55 ? 418 VAL A CB 1 ATOM 2070 C CG1 . VAL A 1 264 ? 2.126 2.041 72.745 1.00 25.43 ? 418 VAL A CG1 1 ATOM 2071 C CG2 . VAL A 1 264 ? 2.882 2.328 70.379 1.00 22.31 ? 418 VAL A CG2 1 ATOM 2072 N N . LEU A 1 265 ? 4.845 1.311 74.572 1.00 22.74 ? 419 LEU A N 1 ATOM 2073 C CA . LEU A 1 265 ? 4.961 0.587 75.821 1.00 24.10 ? 419 LEU A CA 1 ATOM 2074 C C . LEU A 1 265 ? 3.725 0.916 76.695 1.00 22.75 ? 419 LEU A C 1 ATOM 2075 O O . LEU A 1 265 ? 2.674 1.232 76.137 1.00 23.59 ? 419 LEU A O 1 ATOM 2076 C CB . LEU A 1 265 ? 6.310 0.901 76.495 1.00 23.07 ? 419 LEU A CB 1 ATOM 2077 C CG . LEU A 1 265 ? 7.521 0.572 75.617 1.00 25.18 ? 419 LEU A CG 1 ATOM 2078 C CD1 . LEU A 1 265 ? 8.794 1.164 76.168 1.00 27.07 ? 419 LEU A CD1 1 ATOM 2079 C CD2 . LEU A 1 265 ? 7.678 -0.940 75.439 1.00 26.61 ? 419 LEU A CD2 1 ATOM 2080 N N . MET A 1 266 ? 3.799 0.758 78.007 1.00 22.86 ? 420 MET A N 1 ATOM 2081 C CA . MET A 1 266 ? 2.641 1.003 78.889 1.00 24.05 ? 420 MET A CA 1 ATOM 2082 C C . MET A 1 266 ? 3.101 1.591 80.212 1.00 24.01 ? 420 MET A C 1 ATOM 2083 O O . MET A 1 266 ? 4.112 1.179 80.764 1.00 23.87 ? 420 MET A O 1 ATOM 2084 C CB . MET A 1 266 ? 1.926 -0.301 79.218 1.00 27.57 ? 420 MET A CB 1 ATOM 2085 C CG . MET A 1 266 ? 0.792 -0.192 80.210 1.00 26.43 ? 420 MET A CG 1 ATOM 2086 S SD . MET A 1 266 ? 0.090 -1.865 80.560 1.00 27.53 ? 420 MET A SD 1 ATOM 2087 C CE . MET A 1 266 ? -0.962 -1.456 81.914 1.00 28.63 ? 420 MET A CE 1 ATOM 2088 N N . ALA A 1 267 ? 2.338 2.557 80.694 1.00 24.99 ? 421 ALA A N 1 ATOM 2089 C CA . ALA A 1 267 ? 2.488 3.125 82.020 1.00 27.41 ? 421 ALA A CA 1 ATOM 2090 C C . ALA A 1 267 ? 1.129 3.110 82.635 1.00 25.01 ? 421 ALA A C 1 ATOM 2091 O O . ALA A 1 267 ? 0.104 3.236 81.959 1.00 23.58 ? 421 ALA A O 1 ATOM 2092 C CB . ALA A 1 267 ? 3.041 4.572 81.979 1.00 24.56 ? 421 ALA A CB 1 ATOM 2093 N N . SER A 1 268 ? 1.080 2.972 83.952 1.00 27.47 ? 422 SER A N 1 ATOM 2094 C CA . SER A 1 268 ? -0.213 2.990 84.635 1.00 29.41 ? 422 SER A CA 1 ATOM 2095 C C . SER A 1 268 ? -0.062 3.468 86.058 1.00 32.28 ? 422 SER A C 1 ATOM 2096 O O . SER A 1 268 ? 1.018 3.387 86.628 1.00 34.36 ? 422 SER A O 1 ATOM 2097 C CB . SER A 1 268 ? -0.910 1.622 84.633 1.00 36.74 ? 422 SER A CB 1 ATOM 2098 O OG . SER A 1 268 ? -0.126 0.685 85.327 1.00 36.14 ? 422 SER A OG 1 ATOM 2099 N N . VAL A 1 269 ? -1.128 4.031 86.597 1.00 31.31 ? 423 VAL A N 1 ATOM 2100 C CA . VAL A 1 269 ? -1.058 4.562 87.962 1.00 37.21 ? 423 VAL A CA 1 ATOM 2101 C C . VAL A 1 269 ? -1.392 3.466 88.955 1.00 40.66 ? 423 VAL A C 1 ATOM 2102 O O . VAL A 1 269 ? -2.328 2.696 88.732 1.00 44.16 ? 423 VAL A O 1 ATOM 2103 C CB . VAL A 1 269 ? -2.011 5.744 88.213 1.00 39.49 ? 423 VAL A CB 1 ATOM 2104 C CG1 . VAL A 1 269 ? -1.826 6.798 87.159 1.00 34.88 ? 423 VAL A CG1 1 ATOM 2105 C CG2 . VAL A 1 269 ? -3.471 5.324 88.312 1.00 48.19 ? 423 VAL A CG2 1 ATOM 2106 N N . GLN A 1 270 ? -0.627 3.392 90.033 1.00 41.29 ? 424 GLN A N 1 ATOM 2107 C CA . GLN A 1 270 ? -0.850 2.336 91.016 1.00 47.42 ? 424 GLN A CA 1 ATOM 2108 C C . GLN A 1 270 ? -2.155 2.472 91.738 1.00 50.43 ? 424 GLN A C 1 ATOM 2109 O O . GLN A 1 270 ? -2.877 1.473 91.879 1.00 58.64 ? 424 GLN A O 1 ATOM 2110 C CB . GLN A 1 270 ? 0.271 2.284 92.033 1.00 47.32 ? 424 GLN A CB 1 ATOM 2111 C CG . GLN A 1 270 ? 1.509 1.634 91.449 1.00 48.24 ? 424 GLN A CG 1 ATOM 2112 C CD . GLN A 1 270 ? 2.495 1.253 92.503 1.00 44.48 ? 424 GLN A CD 1 ATOM 2113 O OE1 . GLN A 1 270 ? 2.144 1.174 93.668 1.00 50.11 ? 424 GLN A OE1 1 ATOM 2114 N NE2 . GLN A 1 270 ? 3.730 1.058 92.120 1.00 47.39 ? 424 GLN A NE2 1 ATOM 2115 N N . GLY A 1 271 ? -2.488 3.680 92.188 1.00 48.13 ? 425 GLY A N 1 ATOM 2116 C CA . GLY A 1 271 ? -3.754 3.856 92.916 1.00 54.06 ? 425 GLY A CA 1 ATOM 2117 C C . GLY A 1 271 ? -4.998 3.342 92.182 1.00 60.55 ? 425 GLY A C 1 ATOM 2118 O O . GLY A 1 271 ? -4.980 3.091 90.951 1.00 57.01 ? 425 GLY A O 1 ATOM 2119 N N . SER A 1 272 ? -6.092 3.212 92.931 1.00 57.23 ? 426 SER A N 1 ATOM 2120 C CA . SER A 1 272 ? -7.388 2.809 92.348 1.00 68.18 ? 426 SER A CA 1 ATOM 2121 C C . SER A 1 272 ? -8.024 3.840 91.367 1.00 68.76 ? 426 SER A C 1 ATOM 2122 O O . SER A 1 272 ? -8.783 3.449 90.469 1.00 72.37 ? 426 SER A O 1 ATOM 2123 C CB . SER A 1 272 ? -8.392 2.455 93.463 1.00 67.34 ? 426 SER A CB 1 ATOM 2124 O OG . SER A 1 272 ? -8.481 3.508 94.406 1.00 74.86 ? 426 SER A OG 1 ATOM 2125 N N . LYS A 1 273 ? -7.725 5.132 91.528 1.00 64.22 ? 427 LYS A N 1 ATOM 2126 C CA . LYS A 1 273 ? -8.383 6.161 90.719 1.00 62.36 ? 427 LYS A CA 1 ATOM 2127 C C . LYS A 1 273 ? -7.417 6.459 89.572 1.00 62.17 ? 427 LYS A C 1 ATOM 2128 O O . LYS A 1 273 ? -6.310 6.944 89.764 1.00 56.33 ? 427 LYS A O 1 ATOM 2129 C CB . LYS A 1 273 ? -8.751 7.439 91.504 1.00 67.64 ? 427 LYS A CB 1 ATOM 2130 C CG . LYS A 1 273 ? -9.207 7.269 92.958 1.00 68.65 ? 427 LYS A CG 1 ATOM 2131 C CD . LYS A 1 273 ? -8.023 7.253 93.933 1.00 75.29 ? 427 LYS A CD 1 ATOM 2132 C CE . LYS A 1 273 ? -8.201 8.209 95.102 1.00 80.07 ? 427 LYS A CE 1 ATOM 2133 N NZ . LYS A 1 273 ? -9.355 7.839 95.964 1.00 86.53 ? 427 LYS A NZ 1 ATOM 2134 N N . ARG A 1 274 ? -7.850 6.102 88.378 1.00 64.43 ? 428 ARG A N 1 ATOM 2135 C CA . ARG A 1 274 ? -7.046 6.185 87.183 1.00 64.18 ? 428 ARG A CA 1 ATOM 2136 C C . ARG A 1 274 ? -7.764 7.028 86.141 1.00 56.61 ? 428 ARG A C 1 ATOM 2137 O O . ARG A 1 274 ? -7.491 6.895 84.961 1.00 64.02 ? 428 ARG A O 1 ATOM 2138 C CB . ARG A 1 274 ? -6.817 4.762 86.638 1.00 69.74 ? 428 ARG A CB 1 ATOM 2139 C CG . ARG A 1 274 ? -6.613 3.712 87.724 1.00 72.80 ? 428 ARG A CG 1 ATOM 2140 C CD . ARG A 1 274 ? -5.949 2.445 87.207 1.00 75.72 ? 428 ARG A CD 1 ATOM 2141 N NE . ARG A 1 274 ? -5.353 1.704 88.325 1.00 74.18 ? 428 ARG A NE 1 ATOM 2142 C CZ . ARG A 1 274 ? -5.808 0.575 88.883 1.00 70.07 ? 428 ARG A CZ 1 ATOM 2143 N NH1 . ARG A 1 274 ? -5.121 0.054 89.899 1.00 66.98 ? 428 ARG A NH1 1 ATOM 2144 N NH2 . ARG A 1 274 ? -6.906 -0.058 88.451 1.00 68.40 ? 428 ARG A NH2 1 ATOM 2145 N N . ARG A 1 275 ? -8.666 7.912 86.568 1.00 46.97 ? 429 ARG A N 1 ATOM 2146 C CA . ARG A 1 275 ? -9.471 8.650 85.628 1.00 40.93 ? 429 ARG A CA 1 ATOM 2147 C C . ARG A 1 275 ? -8.736 9.965 85.267 1.00 35.36 ? 429 ARG A C 1 ATOM 2148 O O . ARG A 1 275 ? -8.644 10.295 84.078 1.00 29.56 ? 429 ARG A O 1 ATOM 2149 C CB . ARG A 1 275 ? -10.883 8.976 86.185 1.00 49.96 ? 429 ARG A CB 1 ATOM 2150 C CG . ARG A 1 275 ? -12.057 8.097 85.694 1.00 58.38 ? 429 ARG A CG 1 ATOM 2151 C CD . ARG A 1 275 ? -13.352 8.255 86.533 1.00 57.51 ? 429 ARG A CD 1 ATOM 2152 N NE . ARG A 1 275 ? -14.204 9.457 86.265 1.00 63.51 ? 429 ARG A NE 1 ATOM 2153 C CZ . ARG A 1 275 ? -14.161 10.648 86.907 1.00 61.54 ? 429 ARG A CZ 1 ATOM 2154 N NH1 . ARG A 1 275 ? -15.010 11.616 86.564 1.00 62.05 ? 429 ARG A NH1 1 ATOM 2155 N NH2 . ARG A 1 275 ? -13.281 10.916 87.880 1.00 60.20 ? 429 ARG A NH2 1 ATOM 2156 N N A LYS A 1 276 ? -8.235 10.694 86.274 0.50 32.29 ? 430 LYS A N 1 ATOM 2157 N N B LYS A 1 276 ? -8.228 10.701 86.268 0.50 32.41 ? 430 LYS A N 1 ATOM 2158 C CA A LYS A 1 276 ? -7.784 12.094 86.055 0.50 30.02 ? 430 LYS A CA 1 ATOM 2159 C CA B LYS A 1 276 ? -7.775 12.105 86.032 0.50 30.05 ? 430 LYS A CA 1 ATOM 2160 C C A LYS A 1 276 ? -6.304 12.264 85.777 0.50 29.88 ? 430 LYS A C 1 ATOM 2161 C C B LYS A 1 276 ? -6.280 12.301 85.850 0.50 30.07 ? 430 LYS A C 1 ATOM 2162 O O A LYS A 1 276 ? -5.912 13.267 85.167 0.50 30.80 ? 430 LYS A O 1 ATOM 2163 O O B LYS A 1 276 ? -5.848 13.361 85.395 0.50 32.02 ? 430 LYS A O 1 ATOM 2164 C CB A LYS A 1 276 ? -8.229 12.993 87.220 0.50 30.42 ? 430 LYS A CB 1 ATOM 2165 C CB B LYS A 1 276 ? -8.335 13.047 87.116 0.50 30.46 ? 430 LYS A CB 1 ATOM 2166 C CG A LYS A 1 276 ? -9.723 13.291 87.201 0.50 32.65 ? 430 LYS A CG 1 ATOM 2167 C CG B LYS A 1 276 ? -9.844 13.201 86.981 0.50 32.47 ? 430 LYS A CG 1 ATOM 2168 C CD A LYS A 1 276 ? -10.094 14.371 88.218 0.50 34.93 ? 430 LYS A CD 1 ATOM 2169 C CD B LYS A 1 276 ? -10.420 14.441 87.665 0.50 34.86 ? 430 LYS A CD 1 ATOM 2170 C CE A LYS A 1 276 ? -11.592 14.492 88.455 0.50 37.27 ? 430 LYS A CE 1 ATOM 2171 C CE B LYS A 1 276 ? -9.750 14.719 88.993 0.50 38.41 ? 430 LYS A CE 1 ATOM 2172 N NZ A LYS A 1 276 ? -12.324 15.128 87.322 0.50 38.06 ? 430 LYS A NZ 1 ATOM 2173 N NZ B LYS A 1 276 ? -10.051 13.637 89.959 0.50 39.42 ? 430 LYS A NZ 1 ATOM 2174 N N . LEU A 1 277 ? -5.482 11.300 86.165 1.00 27.74 ? 431 LEU A N 1 ATOM 2175 C CA . LEU A 1 277 ? -4.078 11.315 85.848 1.00 28.73 ? 431 LEU A CA 1 ATOM 2176 C C . LEU A 1 277 ? -3.893 10.237 84.765 1.00 33.35 ? 431 LEU A C 1 ATOM 2177 O O . LEU A 1 277 ? -4.067 9.025 85.047 1.00 31.87 ? 431 LEU A O 1 ATOM 2178 C CB . LEU A 1 277 ? -3.279 11.057 87.101 1.00 29.82 ? 431 LEU A CB 1 ATOM 2179 C CG . LEU A 1 277 ? -1.833 11.453 87.178 1.00 37.70 ? 431 LEU A CG 1 ATOM 2180 C CD1 . LEU A 1 277 ? -1.022 10.696 86.162 1.00 39.58 ? 431 LEU A CD1 1 ATOM 2181 C CD2 . LEU A 1 277 ? -1.683 12.949 86.926 1.00 37.27 ? 431 LEU A CD2 1 ATOM 2182 N N . ARG A 1 278 ? -3.596 10.675 83.535 1.00 26.38 ? 432 ARG A N 1 ATOM 2183 C CA . ARG A 1 278 ? -3.527 9.771 82.380 1.00 27.57 ? 432 ARG A CA 1 ATOM 2184 C C . ARG A 1 278 ? -2.071 9.673 81.924 1.00 26.45 ? 432 ARG A C 1 ATOM 2185 O O . ARG A 1 278 ? -1.426 10.700 81.717 1.00 25.65 ? 432 ARG A O 1 ATOM 2186 C CB . ARG A 1 278 ? -4.354 10.242 81.201 1.00 30.88 ? 432 ARG A CB 1 ATOM 2187 C CG . ARG A 1 278 ? -5.489 11.209 81.385 1.00 35.75 ? 432 ARG A CG 1 ATOM 2188 C CD . ARG A 1 278 ? -6.841 10.649 81.416 1.00 30.34 ? 432 ARG A CD 1 ATOM 2189 N NE . ARG A 1 278 ? -7.312 9.929 80.214 1.00 25.67 ? 432 ARG A NE 1 ATOM 2190 C CZ . ARG A 1 278 ? -8.445 9.211 80.226 1.00 29.62 ? 432 ARG A CZ 1 ATOM 2191 N NH1 . ARG A 1 278 ? -8.843 8.571 79.143 1.00 24.98 ? 432 ARG A NH1 1 ATOM 2192 N NH2 . ARG A 1 278 ? -9.203 9.138 81.350 1.00 30.25 ? 432 ARG A NH2 1 ATOM 2193 N N . VAL A 1 279 ? -1.575 8.442 81.724 1.00 22.88 ? 433 VAL A N 1 ATOM 2194 C CA . VAL A 1 279 ? -0.166 8.242 81.433 1.00 23.44 ? 433 VAL A CA 1 ATOM 2195 C C . VAL A 1 279 ? 0.092 7.241 80.295 1.00 24.34 ? 433 VAL A C 1 ATOM 2196 O O . VAL A 1 279 ? -0.619 6.242 80.162 1.00 23.92 ? 433 VAL A O 1 ATOM 2197 C CB . VAL A 1 279 ? 0.671 7.818 82.680 1.00 24.32 ? 433 VAL A CB 1 ATOM 2198 C CG1 . VAL A 1 279 ? 0.749 8.953 83.692 1.00 26.83 ? 433 VAL A CG1 1 ATOM 2199 C CG2 . VAL A 1 279 ? 0.110 6.532 83.315 1.00 25.90 ? 433 VAL A CG2 1 ATOM 2200 N N . TYR A 1 280 ? 1.131 7.562 79.513 1.00 22.37 ? 434 TYR A N 1 ATOM 2201 C CA . TYR A 1 280 ? 1.488 6.825 78.312 1.00 22.87 ? 434 TYR A CA 1 ATOM 2202 C C . TYR A 1 280 ? 2.953 6.738 78.188 1.00 23.72 ? 434 TYR A C 1 ATOM 2203 O O . TYR A 1 280 ? 3.689 7.633 78.655 1.00 24.88 ? 434 TYR A O 1 ATOM 2204 C CB . TYR A 1 280 ? 0.877 7.500 77.068 1.00 20.90 ? 434 TYR A CB 1 ATOM 2205 C CG . TYR A 1 280 ? -0.602 7.648 77.142 1.00 21.73 ? 434 TYR A CG 1 ATOM 2206 C CD1 . TYR A 1 280 ? -1.446 6.558 76.913 1.00 23.11 ? 434 TYR A CD1 1 ATOM 2207 C CD2 . TYR A 1 280 ? -1.202 8.876 77.543 1.00 22.01 ? 434 TYR A CD2 1 ATOM 2208 C CE1 . TYR A 1 280 ? -2.830 6.655 77.058 1.00 21.55 ? 434 TYR A CE1 1 ATOM 2209 C CE2 . TYR A 1 280 ? -2.583 8.976 77.649 1.00 21.76 ? 434 TYR A CE2 1 ATOM 2210 C CZ . TYR A 1 280 ? -3.381 7.847 77.481 1.00 21.87 ? 434 TYR A CZ 1 ATOM 2211 O OH . TYR A 1 280 ? -4.752 7.925 77.581 1.00 23.79 ? 434 TYR A OH 1 ATOM 2212 N N . LEU A 1 281 ? 3.458 5.646 77.587 1.00 21.92 ? 435 LEU A N 1 ATOM 2213 C CA . LEU A 1 281 ? 4.923 5.405 77.560 1.00 24.60 ? 435 LEU A CA 1 ATOM 2214 C C . LEU A 1 281 ? 5.297 4.767 76.229 1.00 22.63 ? 435 LEU A C 1 ATOM 2215 O O . LEU A 1 281 ? 4.662 3.799 75.838 1.00 23.21 ? 435 LEU A O 1 ATOM 2216 C CB . LEU A 1 281 ? 5.332 4.476 78.725 1.00 25.40 ? 435 LEU A CB 1 ATOM 2217 C CG . LEU A 1 281 ? 6.803 4.199 78.866 1.00 25.22 ? 435 LEU A CG 1 ATOM 2218 C CD1 . LEU A 1 281 ? 7.483 5.476 79.385 1.00 26.88 ? 435 LEU A CD1 1 ATOM 2219 C CD2 . LEU A 1 281 ? 7.055 3.035 79.824 1.00 26.54 ? 435 LEU A CD2 1 ATOM 2220 N N . HIS A 1 282 ? 6.261 5.360 75.521 1.00 22.61 ? 436 HIS A N 1 ATOM 2221 C CA . HIS A 1 282 ? 6.834 4.841 74.293 1.00 23.59 ? 436 HIS A CA 1 ATOM 2222 C C . HIS A 1 282 ? 8.370 4.895 74.446 1.00 23.18 ? 436 HIS A C 1 ATOM 2223 O O . HIS A 1 282 ? 8.892 5.592 75.328 1.00 24.32 ? 436 HIS A O 1 ATOM 2224 C CB . HIS A 1 282 ? 6.487 5.703 73.076 1.00 22.35 ? 436 HIS A CB 1 ATOM 2225 C CG . HIS A 1 282 ? 5.034 5.781 72.692 1.00 22.54 ? 436 HIS A CG 1 ATOM 2226 N ND1 . HIS A 1 282 ? 4.641 5.796 71.365 1.00 23.26 ? 436 HIS A ND1 1 ATOM 2227 C CD2 . HIS A 1 282 ? 3.899 5.942 73.416 1.00 22.51 ? 436 HIS A CD2 1 ATOM 2228 C CE1 . HIS A 1 282 ? 3.342 6.002 71.285 1.00 22.67 ? 436 HIS A CE1 1 ATOM 2229 N NE2 . HIS A 1 282 ? 2.858 6.055 72.512 1.00 23.04 ? 436 HIS A NE2 1 ATOM 2230 N N . CYS A 1 283 ? 9.081 4.190 73.568 1.00 24.28 ? 437 CYS A N 1 ATOM 2231 C CA . CYS A 1 283 ? 10.462 4.457 73.349 1.00 26.86 ? 437 CYS A CA 1 ATOM 2232 C C . CYS A 1 283 ? 10.581 5.907 72.823 1.00 27.18 ? 437 CYS A C 1 ATOM 2233 O O . CYS A 1 283 ? 9.742 6.379 72.075 1.00 27.30 ? 437 CYS A O 1 ATOM 2234 C CB . CYS A 1 283 ? 11.043 3.489 72.332 1.00 26.59 ? 437 CYS A CB 1 ATOM 2235 S SG . CYS A 1 283 ? 10.950 1.775 72.856 1.00 34.55 ? 437 CYS A SG 1 ATOM 2236 N N . THR A 1 284 ? 11.648 6.578 73.201 1.00 29.13 ? 438 THR A N 1 ATOM 2237 C CA . THR A 1 284 ? 11.995 7.863 72.629 1.00 28.70 ? 438 THR A CA 1 ATOM 2238 C C . THR A 1 284 ? 12.293 7.785 71.138 1.00 28.69 ? 438 THR A C 1 ATOM 2239 O O . THR A 1 284 ? 12.922 6.832 70.656 1.00 30.97 ? 438 THR A O 1 ATOM 2240 C CB . THR A 1 284 ? 13.173 8.471 73.392 1.00 29.04 ? 438 THR A CB 1 ATOM 2241 O OG1 . THR A 1 284 ? 12.868 8.508 74.789 1.00 29.46 ? 438 THR A OG1 1 ATOM 2242 C CG2 . THR A 1 284 ? 13.479 9.847 72.864 1.00 29.64 ? 438 THR A CG2 1 ATOM 2243 N N . ASN A 1 285 ? 11.791 8.772 70.410 1.00 27.19 ? 439 ASN A N 1 ATOM 2244 C CA . ASN A 1 285 ? 12.002 8.909 68.989 1.00 30.48 ? 439 ASN A CA 1 ATOM 2245 C C . ASN A 1 285 ? 13.538 8.789 68.650 1.00 37.00 ? 439 ASN A C 1 ATOM 2246 O O . ASN A 1 285 ? 14.315 9.549 69.153 1.00 32.96 ? 439 ASN A O 1 ATOM 2247 C CB . ASN A 1 285 ? 11.415 10.241 68.529 1.00 29.22 ? 439 ASN A CB 1 ATOM 2248 C CG . ASN A 1 285 ? 11.483 10.446 67.017 1.00 37.13 ? 439 ASN A CG 1 ATOM 2249 O OD1 . ASN A 1 285 ? 12.226 9.793 66.312 1.00 37.72 ? 439 ASN A OD1 1 ATOM 2250 N ND2 . ASN A 1 285 ? 10.727 11.372 66.530 1.00 42.40 ? 439 ASN A ND2 1 ATOM 2251 N N . THR A 1 286 ? 13.910 7.796 67.843 1.00 40.87 ? 440 THR A N 1 ATOM 2252 C CA . THR A 1 286 ? 15.332 7.552 67.517 1.00 51.58 ? 440 THR A CA 1 ATOM 2253 C C . THR A 1 286 ? 15.939 8.583 66.547 1.00 46.75 ? 440 THR A C 1 ATOM 2254 O O . THR A 1 286 ? 17.119 8.560 66.331 1.00 52.36 ? 440 THR A O 1 ATOM 2255 C CB . THR A 1 286 ? 15.580 6.118 66.968 1.00 53.38 ? 440 THR A CB 1 ATOM 2256 O OG1 . THR A 1 286 ? 14.673 5.802 65.891 1.00 51.54 ? 440 THR A OG1 1 ATOM 2257 C CG2 . THR A 1 286 ? 15.429 5.102 68.078 1.00 60.77 ? 440 THR A CG2 1 ATOM 2258 N N . ASP A 1 287 ? 15.131 9.459 65.962 1.00 42.98 ? 441 ASP A N 1 ATOM 2259 C CA . ASP A 1 287 ? 15.611 10.534 65.098 1.00 47.18 ? 441 ASP A CA 1 ATOM 2260 C C . ASP A 1 287 ? 16.024 11.781 65.887 1.00 46.14 ? 441 ASP A C 1 ATOM 2261 O O . ASP A 1 287 ? 16.515 12.723 65.299 1.00 47.32 ? 441 ASP A O 1 ATOM 2262 C CB . ASP A 1 287 ? 14.516 10.949 64.094 1.00 51.72 ? 441 ASP A CB 1 ATOM 2263 C CG . ASP A 1 287 ? 14.078 9.821 63.185 1.00 56.87 ? 441 ASP A CG 1 ATOM 2264 O OD1 . ASP A 1 287 ? 14.943 9.066 62.695 1.00 58.58 ? 441 ASP A OD1 1 ATOM 2265 O OD2 . ASP A 1 287 ? 12.851 9.673 62.972 1.00 65.86 ? 441 ASP A OD2 1 ATOM 2266 N N . ASN A 1 288 ? 15.783 11.807 67.193 1.00 40.84 ? 442 ASN A N 1 ATOM 2267 C CA . ASN A 1 288 ? 16.087 12.937 68.021 1.00 45.73 ? 442 ASN A CA 1 ATOM 2268 C C . ASN A 1 288 ? 17.564 12.854 68.437 1.00 47.33 ? 442 ASN A C 1 ATOM 2269 O O . ASN A 1 288 ? 17.940 11.942 69.170 1.00 42.61 ? 442 ASN A O 1 ATOM 2270 C CB . ASN A 1 288 ? 15.207 12.982 69.272 1.00 44.23 ? 442 ASN A CB 1 ATOM 2271 C CG . ASN A 1 288 ? 15.354 14.296 70.042 1.00 47.88 ? 442 ASN A CG 1 ATOM 2272 O OD1 . ASN A 1 288 ? 16.466 14.811 70.236 1.00 44.03 ? 442 ASN A OD1 1 ATOM 2273 N ND2 . ASN A 1 288 ? 14.217 14.842 70.518 1.00 46.00 ? 442 ASN A ND2 1 ATOM 2274 N N . PRO A 1 289 ? 18.374 13.847 68.016 1.00 52.33 ? 443 PRO A N 1 ATOM 2275 C CA . PRO A 1 289 ? 19.814 13.821 68.232 1.00 51.20 ? 443 PRO A CA 1 ATOM 2276 C C . PRO A 1 289 ? 20.209 13.992 69.675 1.00 44.39 ? 443 PRO A C 1 ATOM 2277 O O . PRO A 1 289 ? 21.248 13.486 70.049 1.00 46.97 ? 443 PRO A O 1 ATOM 2278 C CB . PRO A 1 289 ? 20.325 14.985 67.357 1.00 51.75 ? 443 PRO A CB 1 ATOM 2279 C CG . PRO A 1 289 ? 19.214 15.975 67.423 1.00 56.67 ? 443 PRO A CG 1 ATOM 2280 C CD . PRO A 1 289 ? 17.959 15.126 67.401 1.00 55.91 ? 443 PRO A CD 1 ATOM 2281 N N . ARG A 1 290 ? 19.359 14.585 70.519 1.00 46.32 ? 444 ARG A N 1 ATOM 2282 C CA . ARG A 1 290 ? 19.679 14.686 71.919 1.00 44.22 ? 444 ARG A CA 1 ATOM 2283 C C . ARG A 1 290 ? 19.616 13.391 72.697 1.00 43.58 ? 444 ARG A C 1 ATOM 2284 O O . ARG A 1 290 ? 20.165 13.313 73.773 1.00 45.44 ? 444 ARG A O 1 ATOM 2285 C CB . ARG A 1 290 ? 18.796 15.711 72.619 1.00 52.30 ? 444 ARG A CB 1 ATOM 2286 C CG . ARG A 1 290 ? 19.119 15.816 74.120 1.00 55.23 ? 444 ARG A CG 1 ATOM 2287 C CD . ARG A 1 290 ? 18.364 16.913 74.816 1.00 56.52 ? 444 ARG A CD 1 ATOM 2288 N NE . ARG A 1 290 ? 18.637 16.857 76.253 1.00 57.02 ? 444 ARG A NE 1 ATOM 2289 C CZ . ARG A 1 290 ? 19.698 17.410 76.854 1.00 62.33 ? 444 ARG A CZ 1 ATOM 2290 N NH1 . ARG A 1 290 ? 20.625 18.078 76.157 1.00 57.54 ? 444 ARG A NH1 1 ATOM 2291 N NH2 . ARG A 1 290 ? 19.824 17.311 78.174 1.00 60.69 ? 444 ARG A NH2 1 ATOM 2292 N N . TYR A 1 291 ? 18.954 12.361 72.179 1.00 38.25 ? 445 TYR A N 1 ATOM 2293 C CA . TYR A 1 291 ? 18.739 11.147 72.968 1.00 39.91 ? 445 TYR A CA 1 ATOM 2294 C C . TYR A 1 291 ? 19.373 9.929 72.308 1.00 38.25 ? 445 TYR A C 1 ATOM 2295 O O . TYR A 1 291 ? 19.909 10.009 71.210 1.00 41.06 ? 445 TYR A O 1 ATOM 2296 C CB . TYR A 1 291 ? 17.221 10.964 73.208 1.00 35.44 ? 445 TYR A CB 1 ATOM 2297 C CG . TYR A 1 291 ? 16.668 12.144 73.982 1.00 31.82 ? 445 TYR A CG 1 ATOM 2298 C CD1 . TYR A 1 291 ? 17.147 12.452 75.273 1.00 32.17 ? 445 TYR A CD1 1 ATOM 2299 C CD2 . TYR A 1 291 ? 15.718 12.994 73.419 1.00 31.20 ? 445 TYR A CD2 1 ATOM 2300 C CE1 . TYR A 1 291 ? 16.663 13.559 75.981 1.00 33.13 ? 445 TYR A CE1 1 ATOM 2301 C CE2 . TYR A 1 291 ? 15.198 14.089 74.146 1.00 33.25 ? 445 TYR A CE2 1 ATOM 2302 C CZ . TYR A 1 291 ? 15.702 14.371 75.422 1.00 30.77 ? 445 TYR A CZ 1 ATOM 2303 O OH . TYR A 1 291 ? 15.218 15.469 76.124 1.00 35.35 ? 445 TYR A OH 1 ATOM 2304 N N . LYS A 1 292 ? 19.357 8.825 73.010 1.00 41.33 ? 446 LYS A N 1 ATOM 2305 C CA . LYS A 1 292 ? 20.080 7.650 72.543 1.00 45.86 ? 446 LYS A CA 1 ATOM 2306 C C . LYS A 1 292 ? 19.241 6.400 72.668 1.00 41.43 ? 446 LYS A C 1 ATOM 2307 O O . LYS A 1 292 ? 18.234 6.381 73.348 1.00 36.18 ? 446 LYS A O 1 ATOM 2308 C CB . LYS A 1 292 ? 21.402 7.490 73.318 1.00 46.90 ? 446 LYS A CB 1 ATOM 2309 C CG . LYS A 1 292 ? 21.240 7.325 74.821 1.00 51.19 ? 446 LYS A CG 1 ATOM 2310 C CD . LYS A 1 292 ? 22.524 6.802 75.483 1.00 59.44 ? 446 LYS A CD 1 ATOM 2311 C CE . LYS A 1 292 ? 22.253 6.392 76.928 1.00 61.80 ? 446 LYS A CE 1 ATOM 2312 N NZ . LYS A 1 292 ? 23.456 6.137 77.772 1.00 67.03 ? 446 LYS A NZ 1 ATOM 2313 N N . GLU A 1 293 ? 19.679 5.360 71.976 1.00 43.11 ? 447 GLU A N 1 ATOM 2314 C CA . GLU A 1 293 ? 19.001 4.088 71.956 1.00 44.86 ? 447 GLU A CA 1 ATOM 2315 C C . GLU A 1 293 ? 18.719 3.633 73.384 1.00 41.59 ? 447 GLU A C 1 ATOM 2316 O O . GLU A 1 293 ? 19.570 3.739 74.274 1.00 42.71 ? 447 GLU A O 1 ATOM 2317 C CB . GLU A 1 293 ? 19.849 3.048 71.194 1.00 52.60 ? 447 GLU A CB 1 ATOM 2318 C CG . GLU A 1 293 ? 19.811 3.223 69.682 1.00 56.42 ? 447 GLU A CG 1 ATOM 2319 C CD . GLU A 1 293 ? 20.659 2.188 68.934 1.00 60.79 ? 447 GLU A CD 1 ATOM 2320 O OE1 . GLU A 1 293 ? 21.831 1.978 69.302 1.00 60.49 ? 447 GLU A OE1 1 ATOM 2321 O OE2 . GLU A 1 293 ? 20.139 1.575 67.980 1.00 66.66 ? 447 GLU A OE2 1 ATOM 2322 N N . GLY A 1 294 ? 17.489 3.196 73.629 1.00 40.45 ? 448 GLY A N 1 ATOM 2323 C CA . GLY A 1 294 ? 17.093 2.761 74.966 1.00 36.14 ? 448 GLY A CA 1 ATOM 2324 C C . GLY A 1 294 ? 16.388 3.785 75.848 1.00 31.71 ? 448 GLY A C 1 ATOM 2325 O O . GLY A 1 294 ? 15.873 3.421 76.897 1.00 32.04 ? 448 GLY A O 1 ATOM 2326 N N . ASP A 1 295 ? 16.371 5.041 75.455 1.00 30.45 ? 449 ASP A N 1 ATOM 2327 C CA . ASP A 1 295 ? 15.647 6.070 76.244 1.00 30.60 ? 449 ASP A CA 1 ATOM 2328 C C . ASP A 1 295 ? 14.116 5.922 76.085 1.00 30.45 ? 449 ASP A C 1 ATOM 2329 O O . ASP A 1 295 ? 13.657 5.485 75.001 1.00 29.28 ? 449 ASP A O 1 ATOM 2330 C CB . ASP A 1 295 ? 16.047 7.437 75.813 1.00 30.21 ? 449 ASP A CB 1 ATOM 2331 C CG . ASP A 1 295 ? 17.494 7.791 76.208 1.00 33.65 ? 449 ASP A CG 1 ATOM 2332 O OD1 . ASP A 1 295 ? 18.117 7.082 77.009 1.00 36.11 ? 449 ASP A OD1 1 ATOM 2333 O OD2 . ASP A 1 295 ? 17.960 8.796 75.701 1.00 33.29 ? 449 ASP A OD2 1 ATOM 2334 N N . LEU A 1 296 ? 13.387 6.349 77.128 1.00 28.57 ? 450 LEU A N 1 ATOM 2335 C CA . LEU A 1 296 ? 11.912 6.274 77.197 1.00 27.56 ? 450 LEU A CA 1 ATOM 2336 C C . LEU A 1 296 ? 11.274 7.652 77.129 1.00 29.93 ? 450 LEU A C 1 ATOM 2337 O O . LEU A 1 296 ? 11.813 8.613 77.701 1.00 30.00 ? 450 LEU A O 1 ATOM 2338 C CB . LEU A 1 296 ? 11.479 5.645 78.486 1.00 27.61 ? 450 LEU A CB 1 ATOM 2339 C CG . LEU A 1 296 ? 11.748 4.182 78.732 1.00 30.12 ? 450 LEU A CG 1 ATOM 2340 C CD1 . LEU A 1 296 ? 11.366 3.809 80.153 1.00 29.80 ? 450 LEU A CD1 1 ATOM 2341 C CD2 . LEU A 1 296 ? 10.987 3.366 77.709 1.00 30.28 ? 450 LEU A CD2 1 ATOM 2342 N N . THR A 1 297 ? 10.124 7.780 76.456 1.00 26.84 ? 451 THR A N 1 ATOM 2343 C CA . THR A 1 297 ? 9.359 9.026 76.570 1.00 26.38 ? 451 THR A CA 1 ATOM 2344 C C . THR A 1 297 ? 8.038 8.721 77.260 1.00 26.86 ? 451 THR A C 1 ATOM 2345 O O . THR A 1 297 ? 7.210 7.991 76.721 1.00 25.28 ? 451 THR A O 1 ATOM 2346 C CB . THR A 1 297 ? 9.138 9.688 75.206 1.00 26.56 ? 451 THR A CB 1 ATOM 2347 O OG1 . THR A 1 297 ? 10.403 10.039 74.615 1.00 30.34 ? 451 THR A OG1 1 ATOM 2348 C CG2 . THR A 1 297 ? 8.258 10.941 75.349 1.00 28.26 ? 451 THR A CG2 1 ATOM 2349 N N . LEU A 1 298 ? 7.867 9.267 78.458 1.00 25.44 ? 452 LEU A N 1 ATOM 2350 C CA . LEU A 1 298 ? 6.587 9.269 79.172 1.00 24.52 ? 452 LEU A CA 1 ATOM 2351 C C . LEU A 1 298 ? 5.799 10.556 78.822 1.00 26.78 ? 452 LEU A C 1 ATOM 2352 O O . LEU A 1 298 ? 6.371 11.637 78.669 1.00 26.47 ? 452 LEU A O 1 ATOM 2353 C CB . LEU A 1 298 ? 6.880 9.212 80.668 1.00 25.44 ? 452 LEU A CB 1 ATOM 2354 C CG . LEU A 1 298 ? 5.718 9.350 81.622 1.00 24.02 ? 452 LEU A CG 1 ATOM 2355 C CD1 . LEU A 1 298 ? 4.853 8.123 81.677 1.00 26.52 ? 452 LEU A CD1 1 ATOM 2356 C CD2 . LEU A 1 298 ? 6.256 9.662 83.018 1.00 28.56 ? 452 LEU A CD2 1 ATOM 2357 N N . TYR A 1 299 ? 4.493 10.447 78.628 1.00 25.14 ? 453 TYR A N 1 ATOM 2358 C CA . TYR A 1 299 ? 3.675 11.653 78.597 1.00 23.28 ? 453 TYR A CA 1 ATOM 2359 C C . TYR A 1 299 ? 2.493 11.489 79.492 1.00 26.53 ? 453 TYR A C 1 ATOM 2360 O O . TYR A 1 299 ? 2.005 10.351 79.694 1.00 25.24 ? 453 TYR A O 1 ATOM 2361 C CB . TYR A 1 299 ? 3.334 12.098 77.172 1.00 24.07 ? 453 TYR A CB 1 ATOM 2362 C CG . TYR A 1 299 ? 2.771 11.071 76.177 1.00 23.29 ? 453 TYR A CG 1 ATOM 2363 C CD1 . TYR A 1 299 ? 3.611 10.128 75.545 1.00 23.42 ? 453 TYR A CD1 1 ATOM 2364 C CD2 . TYR A 1 299 ? 1.429 11.103 75.790 1.00 22.93 ? 453 TYR A CD2 1 ATOM 2365 C CE1 . TYR A 1 299 ? 3.099 9.237 74.617 1.00 22.11 ? 453 TYR A CE1 1 ATOM 2366 C CE2 . TYR A 1 299 ? 0.926 10.219 74.828 1.00 24.34 ? 453 TYR A CE2 1 ATOM 2367 C CZ . TYR A 1 299 ? 1.780 9.281 74.251 1.00 21.44 ? 453 TYR A CZ 1 ATOM 2368 O OH . TYR A 1 299 ? 1.301 8.434 73.269 1.00 21.52 ? 453 TYR A OH 1 ATOM 2369 N N . ALA A 1 300 ? 2.037 12.607 80.081 1.00 24.69 ? 454 ALA A N 1 ATOM 2370 C CA . ALA A 1 300 ? 1.036 12.561 81.134 1.00 24.66 ? 454 ALA A CA 1 ATOM 2371 C C . ALA A 1 300 ? 0.120 13.775 81.067 1.00 25.06 ? 454 ALA A C 1 ATOM 2372 O O . ALA A 1 300 ? 0.565 14.892 80.710 1.00 25.14 ? 454 ALA A O 1 ATOM 2373 C CB . ALA A 1 300 ? 1.743 12.475 82.479 1.00 27.27 ? 454 ALA A CB 1 ATOM 2374 N N . ILE A 1 301 ? -1.145 13.557 81.424 1.00 21.91 ? 455 ILE A N 1 ATOM 2375 C CA . ILE A 1 301 ? -2.170 14.545 81.461 1.00 24.71 ? 455 ILE A CA 1 ATOM 2376 C C . ILE A 1 301 ? -2.665 14.606 82.913 1.00 26.06 ? 455 ILE A C 1 ATOM 2377 O O . ILE A 1 301 ? -2.965 13.558 83.535 1.00 25.10 ? 455 ILE A O 1 ATOM 2378 C CB . ILE A 1 301 ? -3.300 14.173 80.526 1.00 27.24 ? 455 ILE A CB 1 ATOM 2379 C CG1 . ILE A 1 301 ? -2.826 14.182 79.073 1.00 28.14 ? 455 ILE A CG1 1 ATOM 2380 C CG2 . ILE A 1 301 ? -4.474 15.086 80.705 1.00 32.40 ? 455 ILE A CG2 1 ATOM 2381 C CD1 . ILE A 1 301 ? -3.771 13.520 78.108 1.00 28.39 ? 455 ILE A CD1 1 ATOM 2382 N N . ASN A 1 302 ? -2.784 15.825 83.446 1.00 24.21 ? 456 ASN A N 1 ATOM 2383 C CA . ASN A 1 302 ? -3.338 15.996 84.811 1.00 25.17 ? 456 ASN A CA 1 ATOM 2384 C C . ASN A 1 302 ? -4.604 16.744 84.748 1.00 25.11 ? 456 ASN A C 1 ATOM 2385 O O . ASN A 1 302 ? -4.626 17.983 84.483 1.00 28.41 ? 456 ASN A O 1 ATOM 2386 C CB . ASN A 1 302 ? -2.341 16.694 85.718 1.00 25.98 ? 456 ASN A CB 1 ATOM 2387 C CG . ASN A 1 302 ? -2.866 16.834 87.157 1.00 26.22 ? 456 ASN A CG 1 ATOM 2388 O OD1 . ASN A 1 302 ? -3.883 16.224 87.537 1.00 27.85 ? 456 ASN A OD1 1 ATOM 2389 N ND2 . ASN A 1 302 ? -2.137 17.586 87.969 1.00 28.10 ? 456 ASN A ND2 1 ATOM 2390 N N . LEU A 1 303 ? -5.705 16.045 84.947 1.00 23.56 ? 457 LEU A N 1 ATOM 2391 C CA . LEU A 1 303 ? -7.011 16.676 84.947 1.00 25.13 ? 457 LEU A CA 1 ATOM 2392 C C . LEU A 1 303 ? -7.495 16.938 86.403 1.00 25.94 ? 457 LEU A C 1 ATOM 2393 O O . LEU A 1 303 ? -8.643 17.333 86.598 1.00 30.66 ? 457 LEU A O 1 ATOM 2394 C CB . LEU A 1 303 ? -8.018 15.885 84.136 1.00 28.99 ? 457 LEU A CB 1 ATOM 2395 C CG . LEU A 1 303 ? -7.808 15.792 82.625 1.00 35.32 ? 457 LEU A CG 1 ATOM 2396 C CD1 . LEU A 1 303 ? -8.751 14.735 82.059 1.00 39.03 ? 457 LEU A CD1 1 ATOM 2397 C CD2 . LEU A 1 303 ? -8.041 17.141 81.982 1.00 38.62 ? 457 LEU A CD2 1 ATOM 2398 N N . HIS A 1 304 ? -6.621 16.729 87.374 1.00 27.17 ? 458 HIS A N 1 ATOM 2399 C CA . HIS A 1 304 ? -6.913 17.147 88.779 1.00 29.49 ? 458 HIS A CA 1 ATOM 2400 C C . HIS A 1 304 ? -6.754 18.644 88.882 1.00 33.13 ? 458 HIS A C 1 ATOM 2401 O O . HIS A 1 304 ? -6.092 19.289 88.032 1.00 29.82 ? 458 HIS A O 1 ATOM 2402 C CB . HIS A 1 304 ? -5.955 16.474 89.762 1.00 30.28 ? 458 HIS A CB 1 ATOM 2403 C CG . HIS A 1 304 ? -6.132 14.995 89.864 1.00 34.28 ? 458 HIS A CG 1 ATOM 2404 N ND1 . HIS A 1 304 ? -7.124 14.417 90.629 1.00 34.07 ? 458 HIS A ND1 1 ATOM 2405 C CD2 . HIS A 1 304 ? -5.445 13.974 89.295 1.00 38.49 ? 458 HIS A CD2 1 ATOM 2406 C CE1 . HIS A 1 304 ? -7.038 13.100 90.525 1.00 38.22 ? 458 HIS A CE1 1 ATOM 2407 N NE2 . HIS A 1 304 ? -6.011 12.802 89.747 1.00 37.19 ? 458 HIS A NE2 1 ATOM 2408 N N . ASN A 1 305 ? -7.394 19.228 89.900 1.00 31.51 ? 459 ASN A N 1 ATOM 2409 C CA . ASN A 1 305 ? -7.286 20.671 90.094 1.00 33.00 ? 459 ASN A CA 1 ATOM 2410 C C . ASN A 1 305 ? -6.153 21.049 91.036 1.00 31.51 ? 459 ASN A C 1 ATOM 2411 O O . ASN A 1 305 ? -6.047 22.192 91.410 1.00 32.98 ? 459 ASN A O 1 ATOM 2412 C CB . ASN A 1 305 ? -8.642 21.252 90.534 1.00 33.59 ? 459 ASN A CB 1 ATOM 2413 C CG . ASN A 1 305 ? -9.118 20.693 91.872 1.00 37.28 ? 459 ASN A CG 1 ATOM 2414 O OD1 . ASN A 1 305 ? -8.355 20.060 92.602 1.00 37.20 ? 459 ASN A OD1 1 ATOM 2415 N ND2 . ASN A 1 305 ? -10.383 20.929 92.196 1.00 49.37 ? 459 ASN A ND2 1 ATOM 2416 N N . VAL A 1 306 ? -5.271 20.117 91.350 1.00 33.12 ? 460 VAL A N 1 ATOM 2417 C CA . VAL A 1 306 ? -4.027 20.347 92.063 1.00 31.32 ? 460 VAL A CA 1 ATOM 2418 C C . VAL A 1 306 ? -2.879 19.692 91.350 1.00 31.91 ? 460 VAL A C 1 ATOM 2419 O O . VAL A 1 306 ? -3.100 18.758 90.554 1.00 31.66 ? 460 VAL A O 1 ATOM 2420 C CB . VAL A 1 306 ? -4.077 19.855 93.539 1.00 32.56 ? 460 VAL A CB 1 ATOM 2421 C CG1 . VAL A 1 306 ? -5.195 20.553 94.310 1.00 34.12 ? 460 VAL A CG1 1 ATOM 2422 C CG2 . VAL A 1 306 ? -4.281 18.353 93.581 1.00 31.63 ? 460 VAL A CG2 1 ATOM 2423 N N . THR A 1 307 ? -1.665 20.124 91.699 1.00 29.33 ? 461 THR A N 1 ATOM 2424 C CA . THR A 1 307 ? -0.432 19.570 91.199 1.00 30.84 ? 461 THR A CA 1 ATOM 2425 C C . THR A 1 307 ? -0.302 18.129 91.688 1.00 34.19 ? 461 THR A C 1 ATOM 2426 O O . THR A 1 307 ? -0.548 17.838 92.859 1.00 31.06 ? 461 THR A O 1 ATOM 2427 C CB . THR A 1 307 ? 0.770 20.397 91.643 1.00 32.85 ? 461 THR A CB 1 ATOM 2428 O OG1 . THR A 1 307 ? 0.691 21.682 91.032 1.00 31.96 ? 461 THR A OG1 1 ATOM 2429 C CG2 . THR A 1 307 ? 2.081 19.843 91.209 1.00 31.22 ? 461 THR A CG2 1 ATOM 2430 N N . LYS A 1 308 ? 0.098 17.231 90.794 1.00 32.47 ? 462 LYS A N 1 ATOM 2431 C CA . LYS A 1 308 ? 0.496 15.840 91.162 1.00 31.20 ? 462 LYS A CA 1 ATOM 2432 C C . LYS A 1 308 ? 1.959 15.603 90.905 1.00 30.21 ? 462 LYS A C 1 ATOM 2433 O O . LYS A 1 308 ? 2.549 16.194 90.013 1.00 32.02 ? 462 LYS A O 1 ATOM 2434 C CB . LYS A 1 308 ? -0.339 14.797 90.392 1.00 30.67 ? 462 LYS A CB 1 ATOM 2435 C CG . LYS A 1 308 ? -1.804 14.925 90.662 1.00 30.26 ? 462 LYS A CG 1 ATOM 2436 C CD . LYS A 1 308 ? -2.160 14.624 92.112 1.00 36.24 ? 462 LYS A CD 1 ATOM 2437 C CE . LYS A 1 308 ? -3.643 14.632 92.297 1.00 35.01 ? 462 LYS A CE 1 ATOM 2438 N NZ . LYS A 1 308 ? -3.979 14.419 93.718 1.00 42.06 ? 462 LYS A NZ 1 ATOM 2439 N N . TYR A 1 309 ? 2.530 14.698 91.696 1.00 28.56 ? 463 TYR A N 1 ATOM 2440 C CA . TYR A 1 309 ? 3.940 14.404 91.708 1.00 29.93 ? 463 TYR A CA 1 ATOM 2441 C C . TYR A 1 309 ? 4.094 12.929 91.380 1.00 34.00 ? 463 TYR A C 1 ATOM 2442 O O . TYR A 1 309 ? 3.574 12.071 92.127 1.00 38.03 ? 463 TYR A O 1 ATOM 2443 C CB . TYR A 1 309 ? 4.566 14.754 93.086 1.00 34.34 ? 463 TYR A CB 1 ATOM 2444 C CG . TYR A 1 309 ? 4.404 16.231 93.407 1.00 35.66 ? 463 TYR A CG 1 ATOM 2445 C CD1 . TYR A 1 309 ? 5.311 17.170 92.947 1.00 35.71 ? 463 TYR A CD1 1 ATOM 2446 C CD2 . TYR A 1 309 ? 3.270 16.674 94.076 1.00 38.65 ? 463 TYR A CD2 1 ATOM 2447 C CE1 . TYR A 1 309 ? 5.144 18.520 93.218 1.00 39.09 ? 463 TYR A CE1 1 ATOM 2448 C CE2 . TYR A 1 309 ? 3.054 18.034 94.323 1.00 41.43 ? 463 TYR A CE2 1 ATOM 2449 C CZ . TYR A 1 309 ? 3.984 18.945 93.892 1.00 42.53 ? 463 TYR A CZ 1 ATOM 2450 O OH . TYR A 1 309 ? 3.721 20.264 94.167 1.00 44.66 ? 463 TYR A OH 1 ATOM 2451 N N . LEU A 1 310 ? 4.721 12.641 90.233 1.00 32.28 ? 464 LEU A N 1 ATOM 2452 C CA . LEU A 1 310 ? 4.846 11.257 89.735 1.00 31.06 ? 464 LEU A CA 1 ATOM 2453 C C . LEU A 1 310 ? 6.177 10.659 90.106 1.00 32.44 ? 464 LEU A C 1 ATOM 2454 O O . LEU A 1 310 ? 7.218 11.290 89.894 1.00 35.20 ? 464 LEU A O 1 ATOM 2455 C CB . LEU A 1 310 ? 4.707 11.220 88.213 1.00 31.61 ? 464 LEU A CB 1 ATOM 2456 C CG . LEU A 1 310 ? 3.573 12.031 87.588 1.00 36.26 ? 464 LEU A CG 1 ATOM 2457 C CD1 . LEU A 1 310 ? 3.570 11.869 86.071 1.00 37.68 ? 464 LEU A CD1 1 ATOM 2458 C CD2 . LEU A 1 310 ? 2.233 11.610 88.124 1.00 38.91 ? 464 LEU A CD2 1 ATOM 2459 N N . ARG A 1 311 ? 6.162 9.435 90.651 1.00 32.28 ? 465 ARG A N 1 ATOM 2460 C CA . ARG A 1 311 ? 7.408 8.736 90.985 1.00 36.28 ? 465 ARG A CA 1 ATOM 2461 C C . ARG A 1 311 ? 7.640 7.542 90.010 1.00 32.34 ? 465 ARG A C 1 ATOM 2462 O O . ARG A 1 311 ? 6.766 6.723 89.827 1.00 35.91 ? 465 ARG A O 1 ATOM 2463 C CB . ARG A 1 311 ? 7.341 8.251 92.422 1.00 39.41 ? 465 ARG A CB 1 ATOM 2464 C CG . ARG A 1 311 ? 7.199 9.416 93.402 1.00 46.85 ? 465 ARG A CG 1 ATOM 2465 C CD . ARG A 1 311 ? 7.648 9.024 94.811 1.00 52.05 ? 465 ARG A CD 1 ATOM 2466 N NE . ARG A 1 311 ? 6.757 8.002 95.369 1.00 55.74 ? 465 ARG A NE 1 ATOM 2467 C CZ . ARG A 1 311 ? 6.727 7.621 96.648 1.00 60.00 ? 465 ARG A CZ 1 ATOM 2468 N NH1 . ARG A 1 311 ? 7.551 8.172 97.543 1.00 57.59 ? 465 ARG A NH1 1 ATOM 2469 N NH2 . ARG A 1 311 ? 5.854 6.683 97.039 1.00 55.52 ? 465 ARG A NH2 1 ATOM 2470 N N . LEU A 1 312 ? 8.802 7.535 89.384 1.00 34.82 ? 466 LEU A N 1 ATOM 2471 C CA . LEU A 1 312 ? 9.173 6.521 88.401 1.00 34.75 ? 466 LEU A CA 1 ATOM 2472 C C . LEU A 1 312 ? 9.590 5.249 89.102 1.00 40.34 ? 466 LEU A C 1 ATOM 2473 O O . LEU A 1 312 ? 10.270 5.331 90.133 1.00 38.44 ? 466 LEU A O 1 ATOM 2474 C CB . LEU A 1 312 ? 10.372 6.994 87.583 1.00 33.82 ? 466 LEU A CB 1 ATOM 2475 C CG . LEU A 1 312 ? 10.133 8.266 86.739 1.00 35.99 ? 466 LEU A CG 1 ATOM 2476 C CD1 . LEU A 1 312 ? 11.416 8.737 86.084 1.00 33.50 ? 466 LEU A CD1 1 ATOM 2477 C CD2 . LEU A 1 312 ? 9.090 8.042 85.670 1.00 37.69 ? 466 LEU A CD2 1 ATOM 2478 N N . PRO A 1 313 ? 9.262 4.084 88.525 1.00 37.37 ? 467 PRO A N 1 ATOM 2479 C CA . PRO A 1 313 ? 9.598 2.827 89.193 1.00 37.53 ? 467 PRO A CA 1 ATOM 2480 C C . PRO A 1 313 ? 11.048 2.424 88.979 1.00 41.01 ? 467 PRO A C 1 ATOM 2481 O O . PRO A 1 313 ? 11.690 2.842 88.011 1.00 39.97 ? 467 PRO A O 1 ATOM 2482 C CB . PRO A 1 313 ? 8.593 1.831 88.578 1.00 43.55 ? 467 PRO A CB 1 ATOM 2483 C CG . PRO A 1 313 ? 8.277 2.396 87.178 1.00 38.69 ? 467 PRO A CG 1 ATOM 2484 C CD . PRO A 1 313 ? 8.586 3.875 87.227 1.00 41.40 ? 467 PRO A CD 1 ATOM 2485 N N . TYR A 1 314 ? 11.571 1.577 89.881 1.00 43.51 ? 468 TYR A N 1 ATOM 2486 C CA . TYR A 1 314 ? 12.869 0.898 89.658 1.00 49.42 ? 468 TYR A CA 1 ATOM 2487 C C . TYR A 1 314 ? 12.768 0.154 88.306 1.00 40.27 ? 468 TYR A C 1 ATOM 2488 O O . TYR A 1 314 ? 11.695 -0.366 88.028 1.00 40.14 ? 468 TYR A O 1 ATOM 2489 C CB . TYR A 1 314 ? 13.155 -0.121 90.817 1.00 55.95 ? 468 TYR A CB 1 ATOM 2490 C CG . TYR A 1 314 ? 14.484 -0.848 90.701 1.00 62.98 ? 468 TYR A CG 1 ATOM 2491 C CD1 . TYR A 1 314 ? 15.665 -0.245 91.132 1.00 65.03 ? 468 TYR A CD1 1 ATOM 2492 C CD2 . TYR A 1 314 ? 14.567 -2.133 90.123 1.00 70.05 ? 468 TYR A CD2 1 ATOM 2493 C CE1 . TYR A 1 314 ? 16.893 -0.874 90.980 1.00 69.86 ? 468 TYR A CE1 1 ATOM 2494 C CE2 . TYR A 1 314 ? 15.793 -2.785 89.989 1.00 68.63 ? 468 TYR A CE2 1 ATOM 2495 C CZ . TYR A 1 314 ? 16.953 -2.144 90.410 1.00 75.44 ? 468 TYR A CZ 1 ATOM 2496 O OH . TYR A 1 314 ? 18.187 -2.760 90.292 1.00 81.78 ? 468 TYR A OH 1 ATOM 2497 N N . PRO A 1 315 ? 13.794 0.118 87.452 1.00 43.85 ? 469 PRO A N 1 ATOM 2498 C CA . PRO A 1 315 ? 15.135 0.718 87.619 1.00 49.12 ? 469 PRO A CA 1 ATOM 2499 C C . PRO A 1 315 ? 15.378 2.153 87.092 1.00 49.75 ? 469 PRO A C 1 ATOM 2500 O O . PRO A 1 315 ? 16.535 2.511 86.835 1.00 49.99 ? 469 PRO A O 1 ATOM 2501 C CB . PRO A 1 315 ? 16.022 -0.234 86.805 1.00 49.78 ? 469 PRO A CB 1 ATOM 2502 C CG . PRO A 1 315 ? 15.113 -0.719 85.738 1.00 48.79 ? 469 PRO A CG 1 ATOM 2503 C CD . PRO A 1 315 ? 13.812 -0.963 86.458 1.00 47.74 ? 469 PRO A CD 1 ATOM 2504 N N . PHE A 1 316 ? 14.324 2.964 86.975 1.00 47.88 ? 470 PHE A N 1 ATOM 2505 C CA . PHE A 1 316 ? 14.407 4.310 86.400 1.00 43.60 ? 470 PHE A CA 1 ATOM 2506 C C . PHE A 1 316 ? 14.300 5.448 87.457 1.00 48.80 ? 470 PHE A C 1 ATOM 2507 O O . PHE A 1 316 ? 14.170 6.618 87.092 1.00 45.52 ? 470 PHE A O 1 ATOM 2508 C CB . PHE A 1 316 ? 13.241 4.459 85.384 1.00 42.19 ? 470 PHE A CB 1 ATOM 2509 C CG . PHE A 1 316 ? 13.118 3.291 84.443 1.00 37.06 ? 470 PHE A CG 1 ATOM 2510 C CD1 . PHE A 1 316 ? 14.091 3.067 83.490 1.00 37.60 ? 470 PHE A CD1 1 ATOM 2511 C CD2 . PHE A 1 316 ? 12.081 2.371 84.580 1.00 37.52 ? 470 PHE A CD2 1 ATOM 2512 C CE1 . PHE A 1 316 ? 14.012 1.973 82.625 1.00 38.49 ? 470 PHE A CE1 1 ATOM 2513 C CE2 . PHE A 1 316 ? 11.997 1.269 83.748 1.00 35.81 ? 470 PHE A CE2 1 ATOM 2514 C CZ . PHE A 1 316 ? 12.945 1.080 82.755 1.00 37.97 ? 470 PHE A CZ 1 ATOM 2515 N N . SER A 1 317 ? 14.299 5.118 88.750 1.00 48.89 ? 471 SER A N 1 ATOM 2516 C CA . SER A 1 317 ? 14.003 6.128 89.790 1.00 44.53 ? 471 SER A CA 1 ATOM 2517 C C . SER A 1 317 ? 15.087 7.157 90.010 1.00 50.20 ? 471 SER A C 1 ATOM 2518 O O . SER A 1 317 ? 14.781 8.207 90.562 1.00 60.43 ? 471 SER A O 1 ATOM 2519 C CB . SER A 1 317 ? 13.561 5.505 91.137 1.00 50.45 ? 471 SER A CB 1 ATOM 2520 O OG . SER A 1 317 ? 13.854 4.129 91.265 1.00 51.09 ? 471 SER A OG 1 ATOM 2521 N N . ASN A 1 318 ? 16.317 6.912 89.560 1.00 47.32 ? 472 ASN A N 1 ATOM 2522 C CA . ASN A 1 318 ? 17.408 7.898 89.675 1.00 51.30 ? 472 ASN A CA 1 ATOM 2523 C C . ASN A 1 318 ? 18.008 8.372 88.367 1.00 48.68 ? 472 ASN A C 1 ATOM 2524 O O . ASN A 1 318 ? 19.097 8.961 88.342 1.00 53.25 ? 472 ASN A O 1 ATOM 2525 C CB . ASN A 1 318 ? 18.515 7.342 90.576 1.00 61.43 ? 472 ASN A CB 1 ATOM 2526 C CG . ASN A 1 318 ? 17.999 7.008 91.955 1.00 68.85 ? 472 ASN A CG 1 ATOM 2527 O OD1 . ASN A 1 318 ? 17.837 5.833 92.304 1.00 76.41 ? 472 ASN A OD1 1 ATOM 2528 N ND2 . ASN A 1 318 ? 17.681 8.040 92.730 1.00 69.43 ? 472 ASN A ND2 1 ATOM 2529 N N . LYS A 1 319 ? 17.274 8.191 87.276 1.00 43.57 ? 473 LYS A N 1 ATOM 2530 C CA . LYS A 1 319 ? 17.753 8.615 85.983 1.00 42.07 ? 473 LYS A CA 1 ATOM 2531 C C . LYS A 1 319 ? 17.580 10.118 85.827 1.00 40.40 ? 473 LYS A C 1 ATOM 2532 O O . LYS A 1 319 ? 16.705 10.732 86.464 1.00 45.17 ? 473 LYS A O 1 ATOM 2533 C CB . LYS A 1 319 ? 16.956 7.921 84.885 1.00 41.25 ? 473 LYS A CB 1 ATOM 2534 C CG . LYS A 1 319 ? 17.004 6.412 84.972 1.00 42.62 ? 473 LYS A CG 1 ATOM 2535 C CD . LYS A 1 319 ? 18.316 5.878 84.454 1.00 44.26 ? 473 LYS A CD 1 ATOM 2536 C CE . LYS A 1 319 ? 18.471 4.399 84.791 1.00 46.45 ? 473 LYS A CE 1 ATOM 2537 N NZ . LYS A 1 319 ? 19.660 3.935 84.043 1.00 49.02 ? 473 LYS A NZ 1 ATOM 2538 N N . GLN A 1 320 ? 18.421 10.684 84.983 1.00 36.74 ? 474 GLN A N 1 ATOM 2539 C CA . GLN A 1 320 ? 18.271 12.026 84.512 1.00 40.49 ? 474 GLN A CA 1 ATOM 2540 C C . GLN A 1 320 ? 17.026 12.051 83.608 1.00 39.63 ? 474 GLN A C 1 ATOM 2541 O O . GLN A 1 320 ? 16.918 11.242 82.686 1.00 35.89 ? 474 GLN A O 1 ATOM 2542 C CB . GLN A 1 320 ? 19.505 12.474 83.723 1.00 43.22 ? 474 GLN A CB 1 ATOM 2543 C CG . GLN A 1 320 ? 19.415 13.913 83.224 1.00 49.71 ? 474 GLN A CG 1 ATOM 2544 C CD . GLN A 1 320 ? 19.170 14.885 84.376 1.00 58.51 ? 474 GLN A CD 1 ATOM 2545 O OE1 . GLN A 1 320 ? 19.989 14.976 85.301 1.00 66.23 ? 474 GLN A OE1 1 ATOM 2546 N NE2 . GLN A 1 320 ? 18.037 15.603 84.345 1.00 59.63 ? 474 GLN A NE2 1 ATOM 2547 N N . VAL A 1 321 ? 16.124 12.984 83.909 1.00 37.89 ? 475 VAL A N 1 ATOM 2548 C CA . VAL A 1 321 ? 14.849 13.190 83.191 1.00 37.25 ? 475 VAL A CA 1 ATOM 2549 C C . VAL A 1 321 ? 14.784 14.608 82.623 1.00 37.40 ? 475 VAL A C 1 ATOM 2550 O O . VAL A 1 321 ? 15.035 15.559 83.353 1.00 35.74 ? 475 VAL A O 1 ATOM 2551 C CB . VAL A 1 321 ? 13.670 12.977 84.165 1.00 36.46 ? 475 VAL A CB 1 ATOM 2552 C CG1 . VAL A 1 321 ? 12.322 13.335 83.526 1.00 38.30 ? 475 VAL A CG1 1 ATOM 2553 C CG2 . VAL A 1 321 ? 13.708 11.545 84.673 1.00 40.29 ? 475 VAL A CG2 1 ATOM 2554 N N . ASP A 1 322 ? 14.450 14.747 81.335 1.00 34.93 ? 476 ASP A N 1 ATOM 2555 C CA . ASP A 1 322 ? 14.116 16.054 80.726 1.00 32.99 ? 476 ASP A CA 1 ATOM 2556 C C . ASP A 1 322 ? 12.598 16.278 80.688 1.00 36.96 ? 476 ASP A C 1 ATOM 2557 O O . ASP A 1 322 ? 11.848 15.475 80.088 1.00 32.04 ? 476 ASP A O 1 ATOM 2558 C CB . ASP A 1 322 ? 14.645 16.135 79.307 1.00 36.93 ? 476 ASP A CB 1 ATOM 2559 C CG . ASP A 1 322 ? 16.167 16.242 79.228 1.00 39.70 ? 476 ASP A CG 1 ATOM 2560 O OD1 . ASP A 1 322 ? 16.835 16.541 80.238 1.00 42.01 ? 476 ASP A OD1 1 ATOM 2561 O OD2 . ASP A 1 322 ? 16.692 16.033 78.131 1.00 36.40 ? 476 ASP A OD2 1 ATOM 2562 N N . LYS A 1 323 ? 12.152 17.370 81.301 1.00 30.26 ? 477 LYS A N 1 ATOM 2563 C CA . LYS A 1 323 ? 10.763 17.776 81.309 1.00 30.74 ? 477 LYS A CA 1 ATOM 2564 C C . LYS A 1 323 ? 10.449 18.671 80.111 1.00 30.31 ? 477 LYS A C 1 ATOM 2565 O O . LYS A 1 323 ? 11.221 19.547 79.728 1.00 31.38 ? 477 LYS A O 1 ATOM 2566 C CB . LYS A 1 323 ? 10.430 18.458 82.625 1.00 30.13 ? 477 LYS A CB 1 ATOM 2567 C CG . LYS A 1 323 ? 9.015 18.939 82.817 1.00 32.06 ? 477 LYS A CG 1 ATOM 2568 C CD . LYS A 1 323 ? 8.839 19.317 84.275 1.00 34.43 ? 477 LYS A CD 1 ATOM 2569 C CE . LYS A 1 323 ? 7.527 19.944 84.641 1.00 39.67 ? 477 LYS A CE 1 ATOM 2570 N NZ . LYS A 1 323 ? 7.408 20.279 86.126 1.00 41.60 ? 477 LYS A NZ 1 ATOM 2571 N N . TYR A 1 324 ? 9.293 18.434 79.516 1.00 28.43 ? 478 TYR A N 1 ATOM 2572 C CA . TYR A 1 324 ? 8.704 19.281 78.494 1.00 25.66 ? 478 TYR A CA 1 ATOM 2573 C C . TYR A 1 324 ? 7.229 19.583 78.813 1.00 27.61 ? 478 TYR A C 1 ATOM 2574 O O . TYR A 1 324 ? 6.235 18.959 78.300 1.00 27.64 ? 478 TYR A O 1 ATOM 2575 C CB . TYR A 1 324 ? 8.826 18.620 77.165 1.00 25.16 ? 478 TYR A CB 1 ATOM 2576 C CG . TYR A 1 324 ? 10.217 18.322 76.648 1.00 25.52 ? 478 TYR A CG 1 ATOM 2577 C CD1 . TYR A 1 324 ? 10.928 17.197 77.071 1.00 30.48 ? 478 TYR A CD1 1 ATOM 2578 C CD2 . TYR A 1 324 ? 10.806 19.143 75.680 1.00 28.19 ? 478 TYR A CD2 1 ATOM 2579 C CE1 . TYR A 1 324 ? 12.169 16.902 76.533 1.00 31.29 ? 478 TYR A CE1 1 ATOM 2580 C CE2 . TYR A 1 324 ? 12.042 18.864 75.167 1.00 29.86 ? 478 TYR A CE2 1 ATOM 2581 C CZ . TYR A 1 324 ? 12.718 17.747 75.587 1.00 32.39 ? 478 TYR A CZ 1 ATOM 2582 O OH . TYR A 1 324 ? 13.936 17.455 75.011 1.00 33.52 ? 478 TYR A OH 1 ATOM 2583 N N . LEU A 1 325 ? 7.060 20.578 79.654 1.00 26.85 ? 479 LEU A N 1 ATOM 2584 C CA . LEU A 1 325 ? 5.776 20.900 80.220 1.00 28.15 ? 479 LEU A CA 1 ATOM 2585 C C . LEU A 1 325 ? 5.104 22.058 79.461 1.00 28.63 ? 479 LEU A C 1 ATOM 2586 O O . LEU A 1 325 ? 5.664 23.160 79.363 1.00 27.15 ? 479 LEU A O 1 ATOM 2587 C CB . LEU A 1 325 ? 5.937 21.301 81.665 1.00 26.50 ? 479 LEU A CB 1 ATOM 2588 C CG . LEU A 1 325 ? 4.739 21.935 82.336 1.00 27.94 ? 479 LEU A CG 1 ATOM 2589 C CD1 . LEU A 1 325 ? 3.561 20.967 82.452 1.00 27.07 ? 479 LEU A CD1 1 ATOM 2590 C CD2 . LEU A 1 325 ? 5.152 22.346 83.768 1.00 29.97 ? 479 LEU A CD2 1 ATOM 2591 N N . LEU A 1 326 ? 3.882 21.821 79.006 1.00 26.06 ? 480 LEU A N 1 ATOM 2592 C CA . LEU A 1 326 ? 3.079 22.801 78.281 1.00 26.46 ? 480 LEU A CA 1 ATOM 2593 C C . LEU A 1 326 ? 2.034 23.414 79.194 1.00 27.73 ? 480 LEU A C 1 ATOM 2594 O O . LEU A 1 326 ? 1.314 22.703 79.895 1.00 27.33 ? 480 LEU A O 1 ATOM 2595 C CB . LEU A 1 326 ? 2.406 22.141 77.063 1.00 25.40 ? 480 LEU A CB 1 ATOM 2596 C CG . LEU A 1 326 ? 3.411 21.671 75.996 1.00 28.72 ? 480 LEU A CG 1 ATOM 2597 C CD1 . LEU A 1 326 ? 2.649 20.857 74.964 1.00 27.66 ? 480 LEU A CD1 1 ATOM 2598 C CD2 . LEU A 1 326 ? 4.069 22.840 75.280 1.00 28.74 ? 480 LEU A CD2 1 ATOM 2599 N N . ARG A 1 327 ? 1.983 24.749 79.223 1.00 26.23 ? 481 ARG A N 1 ATOM 2600 C CA . ARG A 1 327 ? 0.975 25.504 79.977 1.00 27.13 ? 481 ARG A CA 1 ATOM 2601 C C . ARG A 1 327 ? 0.556 26.748 79.193 1.00 25.57 ? 481 ARG A C 1 ATOM 2602 O O . ARG A 1 327 ? 1.312 27.245 78.430 1.00 27.21 ? 481 ARG A O 1 ATOM 2603 C CB . ARG A 1 327 ? 1.554 25.940 81.344 1.00 34.59 ? 481 ARG A CB 1 ATOM 2604 C CG . ARG A 1 327 ? 1.856 24.713 82.206 1.00 36.23 ? 481 ARG A CG 1 ATOM 2605 C CD . ARG A 1 327 ? 1.945 25.015 83.663 1.00 40.13 ? 481 ARG A CD 1 ATOM 2606 N NE . ARG A 1 327 ? 0.636 25.187 84.274 1.00 40.79 ? 481 ARG A NE 1 ATOM 2607 C CZ . ARG A 1 327 ? 0.465 25.592 85.531 1.00 40.83 ? 481 ARG A CZ 1 ATOM 2608 N NH1 . ARG A 1 327 ? 1.509 25.875 86.284 1.00 38.18 ? 481 ARG A NH1 1 ATOM 2609 N NH2 . ARG A 1 327 ? -0.774 25.736 86.026 1.00 42.21 ? 481 ARG A NH2 1 ATOM 2610 N N . PRO A 1 328 ? -0.651 27.219 79.390 1.00 23.88 ? 482 PRO A N 1 ATOM 2611 C CA . PRO A 1 328 ? -1.096 28.347 78.555 1.00 23.95 ? 482 PRO A CA 1 ATOM 2612 C C . PRO A 1 328 ? -0.394 29.641 78.952 1.00 26.69 ? 482 PRO A C 1 ATOM 2613 O O . PRO A 1 328 ? -0.035 29.827 80.082 1.00 29.64 ? 482 PRO A O 1 ATOM 2614 C CB . PRO A 1 328 ? -2.563 28.466 78.865 1.00 28.06 ? 482 PRO A CB 1 ATOM 2615 C CG . PRO A 1 328 ? -2.846 27.657 80.109 1.00 25.58 ? 482 PRO A CG 1 ATOM 2616 C CD . PRO A 1 328 ? -1.717 26.696 80.267 1.00 26.92 ? 482 PRO A CD 1 ATOM 2617 N N . LEU A 1 329 ? -0.184 30.498 77.984 1.00 25.94 ? 483 LEU A N 1 ATOM 2618 C CA . LEU A 1 329 ? 0.152 31.907 78.230 1.00 30.39 ? 483 LEU A CA 1 ATOM 2619 C C . LEU A 1 329 ? -1.129 32.682 78.629 1.00 31.05 ? 483 LEU A C 1 ATOM 2620 O O . LEU A 1 329 ? -2.197 32.554 77.997 1.00 30.12 ? 483 LEU A O 1 ATOM 2621 C CB . LEU A 1 329 ? 0.734 32.489 76.961 1.00 29.76 ? 483 LEU A CB 1 ATOM 2622 C CG . LEU A 1 329 ? 1.096 33.994 77.062 1.00 35.25 ? 483 LEU A CG 1 ATOM 2623 C CD1 . LEU A 1 329 ? 2.291 34.205 77.986 1.00 39.81 ? 483 LEU A CD1 1 ATOM 2624 C CD2 . LEU A 1 329 ? 1.379 34.545 75.678 1.00 37.27 ? 483 LEU A CD2 1 ATOM 2625 N N . GLY A 1 330 ? -1.046 33.506 79.675 1.00 28.83 ? 484 GLY A N 1 ATOM 2626 C CA . GLY A 1 330 ? -2.209 34.239 80.184 1.00 26.41 ? 484 GLY A CA 1 ATOM 2627 C C . GLY A 1 330 ? -2.588 35.373 79.251 1.00 27.71 ? 484 GLY A C 1 ATOM 2628 O O . GLY A 1 330 ? -1.863 35.638 78.282 1.00 29.34 ? 484 GLY A O 1 ATOM 2629 N N . PRO A 1 331 ? -3.713 36.033 79.495 1.00 26.19 ? 485 PRO A N 1 ATOM 2630 C CA . PRO A 1 331 ? -4.527 35.887 80.703 1.00 25.51 ? 485 PRO A CA 1 ATOM 2631 C C . PRO A 1 331 ? -5.648 34.877 80.662 1.00 22.94 ? 485 PRO A C 1 ATOM 2632 O O . PRO A 1 331 ? -6.363 34.755 81.639 1.00 25.97 ? 485 PRO A O 1 ATOM 2633 C CB . PRO A 1 331 ? -5.207 37.254 80.777 1.00 30.19 ? 485 PRO A CB 1 ATOM 2634 C CG . PRO A 1 331 ? -5.459 37.560 79.346 1.00 28.62 ? 485 PRO A CG 1 ATOM 2635 C CD . PRO A 1 331 ? -4.153 37.176 78.687 1.00 31.08 ? 485 PRO A CD 1 ATOM 2636 N N . HIS A 1 332 ? -5.834 34.183 79.522 1.00 23.26 ? 486 HIS A N 1 ATOM 2637 C CA . HIS A 1 332 ? -7.021 33.407 79.249 1.00 22.74 ? 486 HIS A CA 1 ATOM 2638 C C . HIS A 1 332 ? -6.932 31.907 79.654 1.00 23.02 ? 486 HIS A C 1 ATOM 2639 O O . HIS A 1 332 ? -7.886 31.203 79.435 1.00 26.29 ? 486 HIS A O 1 ATOM 2640 C CB . HIS A 1 332 ? -7.451 33.550 77.827 1.00 22.06 ? 486 HIS A CB 1 ATOM 2641 C CG . HIS A 1 332 ? -7.841 34.964 77.468 1.00 25.67 ? 486 HIS A CG 1 ATOM 2642 N ND1 . HIS A 1 332 ? -8.847 35.636 78.125 1.00 26.84 ? 486 HIS A ND1 1 ATOM 2643 C CD2 . HIS A 1 332 ? -7.388 35.809 76.500 1.00 26.50 ? 486 HIS A CD2 1 ATOM 2644 C CE1 . HIS A 1 332 ? -9.000 36.840 77.583 1.00 26.06 ? 486 HIS A CE1 1 ATOM 2645 N NE2 . HIS A 1 332 ? -8.100 36.980 76.625 1.00 27.78 ? 486 HIS A NE2 1 ATOM 2646 N N . GLY A 1 333 ? -5.882 31.538 80.373 1.00 26.30 ? 487 GLY A N 1 ATOM 2647 C CA . GLY A 1 333 ? -5.831 30.208 81.034 1.00 28.14 ? 487 GLY A CA 1 ATOM 2648 C C . GLY A 1 333 ? -6.054 29.123 79.982 1.00 24.89 ? 487 GLY A C 1 ATOM 2649 O O . GLY A 1 333 ? -5.517 29.216 78.878 1.00 25.65 ? 487 GLY A O 1 ATOM 2650 N N . LEU A 1 334 ? -6.949 28.171 80.290 1.00 24.57 ? 488 LEU A N 1 ATOM 2651 C CA . LEU A 1 334 ? -7.180 27.058 79.385 1.00 27.56 ? 488 LEU A CA 1 ATOM 2652 C C . LEU A 1 334 ? -7.798 27.520 78.060 1.00 28.36 ? 488 LEU A C 1 ATOM 2653 O O . LEU A 1 334 ? -7.656 26.813 77.064 1.00 27.94 ? 488 LEU A O 1 ATOM 2654 C CB . LEU A 1 334 ? -8.025 25.980 80.039 1.00 29.10 ? 488 LEU A CB 1 ATOM 2655 C CG . LEU A 1 334 ? -7.486 25.435 81.360 1.00 28.80 ? 488 LEU A CG 1 ATOM 2656 C CD1 . LEU A 1 334 ? -8.487 24.363 81.792 1.00 32.43 ? 488 LEU A CD1 1 ATOM 2657 C CD2 . LEU A 1 334 ? -6.078 24.850 81.292 1.00 29.89 ? 488 LEU A CD2 1 ATOM 2658 N N . LEU A 1 335 ? -8.422 28.723 78.039 1.00 26.41 ? 489 LEU A N 1 ATOM 2659 C CA . LEU A 1 335 ? -9.004 29.253 76.801 1.00 25.75 ? 489 LEU A CA 1 ATOM 2660 C C . LEU A 1 335 ? -8.001 30.083 76.009 1.00 23.16 ? 489 LEU A C 1 ATOM 2661 O O . LEU A 1 335 ? -8.385 30.745 75.040 1.00 27.45 ? 489 LEU A O 1 ATOM 2662 C CB . LEU A 1 335 ? -10.275 29.992 77.068 1.00 27.15 ? 489 LEU A CB 1 ATOM 2663 C CG . LEU A 1 335 ? -11.316 29.203 77.894 1.00 31.24 ? 489 LEU A CG 1 ATOM 2664 C CD1 . LEU A 1 335 ? -12.547 30.031 78.021 1.00 31.60 ? 489 LEU A CD1 1 ATOM 2665 C CD2 . LEU A 1 335 ? -11.645 27.851 77.255 1.00 31.02 ? 489 LEU A CD2 1 ATOM 2666 N N . SER A 1 336 ? -6.730 30.007 76.373 1.00 24.41 ? 490 SER A N 1 ATOM 2667 C CA . SER A 1 336 ? -5.663 30.691 75.620 1.00 25.01 ? 490 SER A CA 1 ATOM 2668 C C . SER A 1 336 ? -5.344 30.045 74.286 1.00 26.61 ? 490 SER A C 1 ATOM 2669 O O . SER A 1 336 ? -5.372 28.805 74.146 1.00 24.82 ? 490 SER A O 1 ATOM 2670 C CB . SER A 1 336 ? -4.395 30.782 76.445 1.00 25.83 ? 490 SER A CB 1 ATOM 2671 O OG . SER A 1 336 ? -3.424 31.526 75.757 1.00 26.12 ? 490 SER A OG 1 ATOM 2672 N N . LYS A 1 337 ? -5.018 30.888 73.306 1.00 23.59 ? 491 LYS A N 1 ATOM 2673 C CA . LYS A 1 337 ? -4.486 30.418 72.024 1.00 26.79 ? 491 LYS A CA 1 ATOM 2674 C C . LYS A 1 337 ? -2.966 30.440 71.935 1.00 25.43 ? 491 LYS A C 1 ATOM 2675 O O . LYS A 1 337 ? -2.386 30.188 70.863 1.00 23.98 ? 491 LYS A O 1 ATOM 2676 C CB . LYS A 1 337 ? -5.145 31.198 70.896 1.00 29.14 ? 491 LYS A CB 1 ATOM 2677 C CG . LYS A 1 337 ? -6.553 30.665 70.691 1.00 36.65 ? 491 LYS A CG 1 ATOM 2678 C CD . LYS A 1 337 ? -7.582 31.633 70.218 1.00 50.56 ? 491 LYS A CD 1 ATOM 2679 C CE . LYS A 1 337 ? -7.454 31.877 68.764 1.00 52.79 ? 491 LYS A CE 1 ATOM 2680 N NZ . LYS A 1 337 ? -8.640 32.694 68.361 1.00 64.31 ? 491 LYS A NZ 1 ATOM 2681 N N . SER A 1 338 ? -2.335 30.715 73.062 1.00 24.15 ? 492 SER A N 1 ATOM 2682 C CA . SER A 1 338 ? -0.910 30.763 73.143 1.00 26.42 ? 492 SER A CA 1 ATOM 2683 C C . SER A 1 338 ? -0.484 29.812 74.251 1.00 27.28 ? 492 SER A C 1 ATOM 2684 O O . SER A 1 338 ? -1.161 29.696 75.260 1.00 30.43 ? 492 SER A O 1 ATOM 2685 C CB . SER A 1 338 ? -0.429 32.209 73.418 1.00 29.77 ? 492 SER A CB 1 ATOM 2686 O OG . SER A 1 338 ? -0.734 33.010 72.287 1.00 31.62 ? 492 SER A OG 1 ATOM 2687 N N . VAL A 1 339 ? 0.664 29.205 74.064 1.00 26.80 ? 493 VAL A N 1 ATOM 2688 C CA . VAL A 1 339 ? 1.194 28.192 74.957 1.00 28.69 ? 493 VAL A CA 1 ATOM 2689 C C . VAL A 1 339 ? 2.684 28.375 75.231 1.00 27.80 ? 493 VAL A C 1 ATOM 2690 O O . VAL A 1 339 ? 3.434 28.863 74.386 1.00 30.41 ? 493 VAL A O 1 ATOM 2691 C CB . VAL A 1 339 ? 0.924 26.762 74.361 1.00 28.95 ? 493 VAL A CB 1 ATOM 2692 C CG1 . VAL A 1 339 ? 1.765 26.513 73.113 1.00 28.10 ? 493 VAL A CG1 1 ATOM 2693 C CG2 . VAL A 1 339 ? 1.197 25.675 75.388 1.00 30.14 ? 493 VAL A CG2 1 ATOM 2694 N N . GLN A 1 340 ? 3.083 28.016 76.455 1.00 28.01 ? 494 GLN A N 1 ATOM 2695 C CA . GLN A 1 340 ? 4.463 28.057 76.897 1.00 28.05 ? 494 GLN A CA 1 ATOM 2696 C C . GLN A 1 340 ? 5.040 26.677 77.118 1.00 27.62 ? 494 GLN A C 1 ATOM 2697 O O . GLN A 1 340 ? 4.370 25.828 77.699 1.00 29.14 ? 494 GLN A O 1 ATOM 2698 C CB . GLN A 1 340 ? 4.530 28.832 78.242 1.00 31.33 ? 494 GLN A CB 1 ATOM 2699 C CG . GLN A 1 340 ? 3.966 30.233 78.140 1.00 34.22 ? 494 GLN A CG 1 ATOM 2700 C CD . GLN A 1 340 ? 4.373 31.100 79.345 1.00 39.93 ? 494 GLN A CD 1 ATOM 2701 O OE1 . GLN A 1 340 ? 4.116 30.742 80.487 1.00 37.55 ? 494 GLN A OE1 1 ATOM 2702 N NE2 . GLN A 1 340 ? 5.020 32.249 79.077 1.00 39.29 ? 494 GLN A NE2 1 ATOM 2703 N N . LEU A 1 341 ? 6.297 26.464 76.706 1.00 26.48 ? 495 LEU A N 1 ATOM 2704 C CA . LEU A 1 341 ? 7.044 25.266 77.005 1.00 27.26 ? 495 LEU A CA 1 ATOM 2705 C C . LEU A 1 341 ? 8.089 25.535 78.096 1.00 28.33 ? 495 LEU A C 1 ATOM 2706 O O . LEU A 1 341 ? 9.028 26.315 77.883 1.00 29.86 ? 495 LEU A O 1 ATOM 2707 C CB . LEU A 1 341 ? 7.737 24.747 75.738 1.00 26.65 ? 495 LEU A CB 1 ATOM 2708 C CG . LEU A 1 341 ? 8.638 23.519 75.837 1.00 31.25 ? 495 LEU A CG 1 ATOM 2709 C CD1 . LEU A 1 341 ? 7.905 22.309 76.444 1.00 31.62 ? 495 LEU A CD1 1 ATOM 2710 C CD2 . LEU A 1 341 ? 9.154 23.199 74.446 1.00 31.22 ? 495 LEU A CD2 1 ATOM 2711 N N . ASN A 1 342 ? 7.906 24.925 79.266 1.00 27.62 ? 496 ASN A N 1 ATOM 2712 C CA . ASN A 1 342 ? 8.773 25.155 80.434 1.00 29.36 ? 496 ASN A CA 1 ATOM 2713 C C . ASN A 1 342 ? 8.981 26.676 80.708 1.00 34.46 ? 496 ASN A C 1 ATOM 2714 O O . ASN A 1 342 ? 10.109 27.134 80.865 1.00 34.52 ? 496 ASN A O 1 ATOM 2715 C CB . ASN A 1 342 ? 10.094 24.469 80.221 1.00 30.56 ? 496 ASN A CB 1 ATOM 2716 C CG . ASN A 1 342 ? 9.931 22.967 80.050 1.00 28.94 ? 496 ASN A CG 1 ATOM 2717 O OD1 . ASN A 1 342 ? 9.102 22.362 80.746 1.00 28.67 ? 496 ASN A OD1 1 ATOM 2718 N ND2 . ASN A 1 342 ? 10.714 22.379 79.159 1.00 28.60 ? 496 ASN A ND2 1 ATOM 2719 N N . GLY A 1 343 ? 7.882 27.412 80.639 1.00 32.44 ? 497 GLY A N 1 ATOM 2720 C CA . GLY A 1 343 ? 7.853 28.850 80.884 1.00 36.73 ? 497 GLY A CA 1 ATOM 2721 C C . GLY A 1 343 ? 8.208 29.789 79.734 1.00 39.83 ? 497 GLY A C 1 ATOM 2722 O O . GLY A 1 343 ? 8.121 30.978 79.924 1.00 39.69 ? 497 GLY A O 1 ATOM 2723 N N . LEU A 1 344 ? 8.509 29.286 78.536 1.00 32.59 ? 498 LEU A N 1 ATOM 2724 C CA . LEU A 1 344 ? 8.893 30.098 77.374 1.00 34.21 ? 498 LEU A CA 1 ATOM 2725 C C . LEU A 1 344 ? 7.809 29.985 76.312 1.00 36.37 ? 498 LEU A C 1 ATOM 2726 O O . LEU A 1 344 ? 7.528 28.878 75.839 1.00 33.07 ? 498 LEU A O 1 ATOM 2727 C CB . LEU A 1 344 ? 10.211 29.577 76.854 1.00 37.88 ? 498 LEU A CB 1 ATOM 2728 C CG . LEU A 1 344 ? 10.993 30.187 75.704 1.00 51.30 ? 498 LEU A CG 1 ATOM 2729 C CD1 . LEU A 1 344 ? 11.076 31.724 75.758 1.00 58.52 ? 498 LEU A CD1 1 ATOM 2730 C CD2 . LEU A 1 344 ? 12.382 29.546 75.755 1.00 55.51 ? 498 LEU A CD2 1 ATOM 2731 N N . THR A 1 345 ? 7.183 31.100 75.964 1.00 35.94 ? 499 THR A N 1 ATOM 2732 C CA . THR A 1 345 ? 6.134 31.147 74.910 1.00 34.47 ? 499 THR A CA 1 ATOM 2733 C C . THR A 1 345 ? 6.650 30.576 73.581 1.00 35.71 ? 499 THR A C 1 ATOM 2734 O O . THR A 1 345 ? 7.770 30.886 73.145 1.00 30.53 ? 499 THR A O 1 ATOM 2735 C CB . THR A 1 345 ? 5.636 32.603 74.681 1.00 39.66 ? 499 THR A CB 1 ATOM 2736 O OG1 . THR A 1 345 ? 5.088 33.127 75.899 1.00 35.90 ? 499 THR A OG1 1 ATOM 2737 C CG2 . THR A 1 345 ? 4.524 32.651 73.614 1.00 38.01 ? 499 THR A CG2 1 ATOM 2738 N N . LEU A 1 346 ? 5.864 29.685 72.965 1.00 31.66 ? 500 LEU A N 1 ATOM 2739 C CA . LEU A 1 346 ? 6.223 29.106 71.668 1.00 29.88 ? 500 LEU A CA 1 ATOM 2740 C C . LEU A 1 346 ? 5.717 29.959 70.521 1.00 28.17 ? 500 LEU A C 1 ATOM 2741 O O . LEU A 1 346 ? 4.530 30.198 70.407 1.00 28.92 ? 500 LEU A O 1 ATOM 2742 C CB . LEU A 1 346 ? 5.703 27.666 71.531 1.00 29.87 ? 500 LEU A CB 1 ATOM 2743 C CG . LEU A 1 346 ? 6.391 26.631 72.443 1.00 29.32 ? 500 LEU A CG 1 ATOM 2744 C CD1 . LEU A 1 346 ? 5.781 25.245 72.287 1.00 31.54 ? 500 LEU A CD1 1 ATOM 2745 C CD2 . LEU A 1 346 ? 7.862 26.466 72.148 1.00 32.96 ? 500 LEU A CD2 1 ATOM 2746 N N . LYS A 1 347 ? 6.648 30.366 69.649 1.00 29.84 ? 501 LYS A N 1 ATOM 2747 C CA . LYS A 1 347 ? 6.396 31.253 68.535 1.00 34.77 ? 501 LYS A CA 1 ATOM 2748 C C . LYS A 1 347 ? 7.371 30.954 67.428 1.00 31.33 ? 501 LYS A C 1 ATOM 2749 O O . LYS A 1 347 ? 8.517 30.578 67.710 1.00 33.42 ? 501 LYS A O 1 ATOM 2750 C CB . LYS A 1 347 ? 6.714 32.691 68.962 1.00 44.16 ? 501 LYS A CB 1 ATOM 2751 C CG . LYS A 1 347 ? 5.543 33.444 69.491 1.00 56.29 ? 501 LYS A CG 1 ATOM 2752 C CD . LYS A 1 347 ? 5.953 34.859 69.919 1.00 64.95 ? 501 LYS A CD 1 ATOM 2753 C CE . LYS A 1 347 ? 4.917 35.444 70.876 1.00 71.62 ? 501 LYS A CE 1 ATOM 2754 N NZ . LYS A 1 347 ? 3.496 35.098 70.525 1.00 73.55 ? 501 LYS A NZ 1 ATOM 2755 N N A MET A 1 348 ? 6.931 31.131 66.188 0.50 31.71 ? 502 MET A N 1 ATOM 2756 N N B MET A 1 348 ? 6.943 31.079 66.171 0.50 34.90 ? 502 MET A N 1 ATOM 2757 C CA A MET A 1 348 ? 7.817 31.003 65.028 0.50 32.41 ? 502 MET A CA 1 ATOM 2758 C CA B MET A 1 348 ? 7.866 30.892 65.033 0.50 37.54 ? 502 MET A CA 1 ATOM 2759 C C A MET A 1 348 ? 8.965 32.025 65.216 0.50 35.40 ? 502 MET A C 1 ATOM 2760 C C B MET A 1 348 ? 8.929 32.004 65.108 0.50 38.93 ? 502 MET A C 1 ATOM 2761 O O A MET A 1 348 ? 8.747 33.091 65.775 0.50 35.40 ? 502 MET A O 1 ATOM 2762 O O B MET A 1 348 ? 8.596 33.137 65.430 0.50 38.44 ? 502 MET A O 1 ATOM 2763 C CB A MET A 1 348 ? 7.030 31.233 63.718 0.50 30.45 ? 502 MET A CB 1 ATOM 2764 C CB B MET A 1 348 ? 7.141 30.897 63.665 0.50 39.83 ? 502 MET A CB 1 ATOM 2765 C CG A MET A 1 348 ? 6.018 30.114 63.401 0.50 28.89 ? 502 MET A CG 1 ATOM 2766 C CG B MET A 1 348 ? 6.738 29.501 63.151 0.50 40.43 ? 502 MET A CG 1 ATOM 2767 S SD A MET A 1 348 ? 5.372 30.158 61.713 0.50 28.80 ? 502 MET A SD 1 ATOM 2768 S SD B MET A 1 348 ? 6.965 29.243 61.355 0.50 47.43 ? 502 MET A SD 1 ATOM 2769 C CE A MET A 1 348 ? 3.901 31.073 61.879 0.50 32.81 ? 502 MET A CE 1 ATOM 2770 C CE B MET A 1 348 ? 5.520 30.037 60.645 0.50 43.72 ? 502 MET A CE 1 ATOM 2771 N N . VAL A 1 349 ? 10.193 31.646 64.859 1.00 40.12 ? 503 VAL A N 1 ATOM 2772 C CA . VAL A 1 349 ? 11.325 32.607 64.810 1.00 40.24 ? 503 VAL A CA 1 ATOM 2773 C C . VAL A 1 349 ? 11.053 33.608 63.660 1.00 46.23 ? 503 VAL A C 1 ATOM 2774 O O . VAL A 1 349 ? 11.105 34.820 63.858 1.00 47.30 ? 503 VAL A O 1 ATOM 2775 C CB . VAL A 1 349 ? 12.666 31.866 64.645 1.00 41.76 ? 503 VAL A CB 1 ATOM 2776 C CG1 . VAL A 1 349 ? 13.836 32.830 64.428 1.00 46.77 ? 503 VAL A CG1 1 ATOM 2777 C CG2 . VAL A 1 349 ? 12.964 30.983 65.861 1.00 41.76 ? 503 VAL A CG2 1 ATOM 2778 N N . ASP A 1 350 ? 10.680 33.083 62.492 1.00 43.28 ? 504 ASP A N 1 ATOM 2779 C CA . ASP A 1 350 ? 10.196 33.878 61.371 1.00 42.58 ? 504 ASP A CA 1 ATOM 2780 C C . ASP A 1 350 ? 9.375 32.937 60.464 1.00 40.98 ? 504 ASP A C 1 ATOM 2781 O O . ASP A 1 350 ? 9.153 31.785 60.831 1.00 40.06 ? 504 ASP A O 1 ATOM 2782 C CB . ASP A 1 350 ? 11.401 34.548 60.624 1.00 42.93 ? 504 ASP A CB 1 ATOM 2783 C CG . ASP A 1 350 ? 12.393 33.559 60.074 1.00 45.21 ? 504 ASP A CG 1 ATOM 2784 O OD1 . ASP A 1 350 ? 12.028 32.470 59.579 1.00 52.23 ? 504 ASP A OD1 1 ATOM 2785 O OD2 . ASP A 1 350 ? 13.590 33.846 60.128 1.00 47.47 ? 504 ASP A OD2 1 ATOM 2786 N N . ASP A 1 351 ? 8.978 33.377 59.284 1.00 39.56 ? 505 ASP A N 1 ATOM 2787 C CA . ASP A 1 351 ? 8.108 32.555 58.410 1.00 39.72 ? 505 ASP A CA 1 ATOM 2788 C C . ASP A 1 351 ? 8.711 31.264 57.862 1.00 40.47 ? 505 ASP A C 1 ATOM 2789 O O . ASP A 1 351 ? 7.971 30.397 57.366 1.00 40.95 ? 505 ASP A O 1 ATOM 2790 C CB . ASP A 1 351 ? 7.531 33.393 57.261 1.00 40.52 ? 505 ASP A CB 1 ATOM 2791 C CG . ASP A 1 351 ? 6.504 34.435 57.740 1.00 45.73 ? 505 ASP A CG 1 ATOM 2792 O OD1 . ASP A 1 351 ? 6.267 34.600 58.955 1.00 53.52 ? 505 ASP A OD1 1 ATOM 2793 O OD2 . ASP A 1 351 ? 5.898 35.118 56.883 1.00 47.57 ? 505 ASP A OD2 1 ATOM 2794 N N . GLN A 1 352 ? 10.034 31.123 57.947 1.00 38.93 ? 506 GLN A N 1 ATOM 2795 C CA . GLN A 1 352 ? 10.756 29.949 57.496 1.00 42.91 ? 506 GLN A CA 1 ATOM 2796 C C . GLN A 1 352 ? 11.355 29.143 58.621 1.00 36.82 ? 506 GLN A C 1 ATOM 2797 O O . GLN A 1 352 ? 11.987 28.134 58.341 1.00 38.98 ? 506 GLN A O 1 ATOM 2798 C CB . GLN A 1 352 ? 11.909 30.370 56.555 1.00 48.10 ? 506 GLN A CB 1 ATOM 2799 C CG . GLN A 1 352 ? 11.426 31.038 55.284 1.00 52.61 ? 506 GLN A CG 1 ATOM 2800 C CD . GLN A 1 352 ? 10.574 30.075 54.446 1.00 62.48 ? 506 GLN A CD 1 ATOM 2801 O OE1 . GLN A 1 352 ? 11.020 28.974 54.100 1.00 57.80 ? 506 GLN A OE1 1 ATOM 2802 N NE2 . GLN A 1 352 ? 9.328 30.467 54.160 1.00 67.93 ? 506 GLN A NE2 1 ATOM 2803 N N . THR A 1 353 ? 11.177 29.559 59.879 1.00 36.80 ? 507 THR A N 1 ATOM 2804 C CA . THR A 1 353 ? 11.996 28.994 60.982 1.00 37.55 ? 507 THR A CA 1 ATOM 2805 C C . THR A 1 353 ? 11.163 28.645 62.232 1.00 37.15 ? 507 THR A C 1 ATOM 2806 O O . THR A 1 353 ? 10.632 29.541 62.909 1.00 36.96 ? 507 THR A O 1 ATOM 2807 C CB . THR A 1 353 ? 13.096 30.016 61.391 1.00 39.88 ? 507 THR A CB 1 ATOM 2808 O OG1 . THR A 1 353 ? 13.787 30.445 60.211 1.00 43.12 ? 507 THR A OG1 1 ATOM 2809 C CG2 . THR A 1 353 ? 14.106 29.409 62.352 1.00 39.78 ? 507 THR A CG2 1 ATOM 2810 N N . LEU A 1 354 ? 11.067 27.360 62.550 1.00 34.59 ? 508 LEU A N 1 ATOM 2811 C CA . LEU A 1 354 ? 10.468 26.936 63.832 1.00 35.41 ? 508 LEU A CA 1 ATOM 2812 C C . LEU A 1 354 ? 11.477 27.151 64.949 1.00 34.54 ? 508 LEU A C 1 ATOM 2813 O O . LEU A 1 354 ? 12.646 26.960 64.731 1.00 38.06 ? 508 LEU A O 1 ATOM 2814 C CB . LEU A 1 354 ? 10.119 25.433 63.797 1.00 34.54 ? 508 LEU A CB 1 ATOM 2815 C CG . LEU A 1 354 ? 8.959 25.155 62.820 1.00 35.82 ? 508 LEU A CG 1 ATOM 2816 C CD1 . LEU A 1 354 ? 8.889 23.668 62.463 1.00 36.51 ? 508 LEU A CD1 1 ATOM 2817 C CD2 . LEU A 1 354 ? 7.613 25.639 63.383 1.00 37.89 ? 508 LEU A CD2 1 ATOM 2818 N N . PRO A 1 355 ? 11.008 27.398 66.180 1.00 35.94 ? 509 PRO A N 1 ATOM 2819 C CA . PRO A 1 355 ? 11.906 27.510 67.308 1.00 34.81 ? 509 PRO A CA 1 ATOM 2820 C C . PRO A 1 355 ? 12.416 26.180 67.769 1.00 42.03 ? 509 PRO A C 1 ATOM 2821 O O . PRO A 1 355 ? 11.787 25.163 67.484 1.00 36.94 ? 509 PRO A O 1 ATOM 2822 C CB . PRO A 1 355 ? 11.028 28.165 68.378 1.00 38.70 ? 509 PRO A CB 1 ATOM 2823 C CG . PRO A 1 355 ? 9.662 27.671 68.064 1.00 38.55 ? 509 PRO A CG 1 ATOM 2824 C CD . PRO A 1 355 ? 9.614 27.680 66.561 1.00 36.35 ? 509 PRO A CD 1 ATOM 2825 N N . PRO A 1 356 ? 13.569 26.169 68.473 1.00 43.35 ? 510 PRO A N 1 ATOM 2826 C CA . PRO A 1 356 ? 13.961 24.968 69.167 1.00 43.34 ? 510 PRO A CA 1 ATOM 2827 C C . PRO A 1 356 ? 12.942 24.703 70.271 1.00 36.52 ? 510 PRO A C 1 ATOM 2828 O O . PRO A 1 356 ? 12.207 25.632 70.689 1.00 37.21 ? 510 PRO A O 1 ATOM 2829 C CB . PRO A 1 356 ? 15.324 25.323 69.739 1.00 47.83 ? 510 PRO A CB 1 ATOM 2830 C CG . PRO A 1 356 ? 15.266 26.787 69.971 1.00 50.23 ? 510 PRO A CG 1 ATOM 2831 C CD . PRO A 1 356 ? 14.347 27.339 68.924 1.00 47.76 ? 510 PRO A CD 1 ATOM 2832 N N . LEU A 1 357 ? 12.837 23.440 70.678 1.00 33.62 ? 511 LEU A N 1 ATOM 2833 C CA . LEU A 1 357 ? 11.930 23.052 71.761 1.00 36.40 ? 511 LEU A CA 1 ATOM 2834 C C . LEU A 1 357 ? 12.782 22.678 72.965 1.00 35.12 ? 511 LEU A C 1 ATOM 2835 O O . LEU A 1 357 ? 13.380 21.622 72.993 1.00 36.60 ? 511 LEU A O 1 ATOM 2836 C CB . LEU A 1 357 ? 11.019 21.894 71.305 1.00 33.89 ? 511 LEU A CB 1 ATOM 2837 C CG . LEU A 1 357 ? 10.204 22.299 70.103 1.00 34.91 ? 511 LEU A CG 1 ATOM 2838 C CD1 . LEU A 1 357 ? 9.481 21.072 69.610 1.00 37.84 ? 511 LEU A CD1 1 ATOM 2839 C CD2 . LEU A 1 357 ? 9.228 23.423 70.383 1.00 34.41 ? 511 LEU A CD2 1 ATOM 2840 N N . MET A 1 358 ? 12.882 23.569 73.943 1.00 33.79 ? 512 MET A N 1 ATOM 2841 C CA . MET A 1 358 ? 13.943 23.426 74.942 1.00 38.15 ? 512 MET A CA 1 ATOM 2842 C C . MET A 1 358 ? 13.443 22.692 76.176 1.00 32.40 ? 512 MET A C 1 ATOM 2843 O O . MET A 1 358 ? 12.458 23.106 76.828 1.00 34.03 ? 512 MET A O 1 ATOM 2844 C CB . MET A 1 358 ? 14.483 24.808 75.367 1.00 43.67 ? 512 MET A CB 1 ATOM 2845 C CG . MET A 1 358 ? 14.811 25.775 74.234 1.00 56.38 ? 512 MET A CG 1 ATOM 2846 S SD . MET A 1 358 ? 16.515 25.726 73.601 1.00 83.33 ? 512 MET A SD 1 ATOM 2847 C CE . MET A 1 358 ? 16.721 24.049 72.971 1.00 69.77 ? 512 MET A CE 1 ATOM 2848 N N . GLU A 1 359 ? 14.179 21.656 76.522 1.00 35.58 ? 513 GLU A N 1 ATOM 2849 C CA . GLU A 1 359 ? 13.918 20.858 77.728 1.00 36.14 ? 513 GLU A CA 1 ATOM 2850 C C . GLU A 1 359 ? 14.218 21.604 79.012 1.00 38.60 ? 513 GLU A C 1 ATOM 2851 O O . GLU A 1 359 ? 14.925 22.584 78.978 1.00 35.87 ? 513 GLU A O 1 ATOM 2852 C CB . GLU A 1 359 ? 14.764 19.603 77.720 1.00 38.01 ? 513 GLU A CB 1 ATOM 2853 C CG . GLU A 1 359 ? 16.270 19.733 77.984 1.00 44.67 ? 513 GLU A CG 1 ATOM 2854 C CD . GLU A 1 359 ? 17.106 20.144 76.773 1.00 48.15 ? 513 GLU A CD 1 ATOM 2855 O OE1 . GLU A 1 359 ? 16.555 20.530 75.723 1.00 52.75 ? 513 GLU A OE1 1 ATOM 2856 O OE2 . GLU A 1 359 ? 18.343 20.141 76.897 1.00 52.62 ? 513 GLU A OE2 1 ATOM 2857 N N . LYS A 1 360 ? 13.682 21.119 80.133 1.00 34.44 ? 514 LYS A N 1 ATOM 2858 C CA . LYS A 1 360 ? 14.126 21.497 81.468 1.00 34.11 ? 514 LYS A CA 1 ATOM 2859 C C . LYS A 1 360 ? 14.638 20.226 82.147 1.00 36.11 ? 514 LYS A C 1 ATOM 2860 O O . LYS A 1 360 ? 13.820 19.385 82.562 1.00 33.17 ? 514 LYS A O 1 ATOM 2861 C CB . LYS A 1 360 ? 12.957 22.043 82.255 1.00 38.59 ? 514 LYS A CB 1 ATOM 2862 C CG . LYS A 1 360 ? 13.366 22.542 83.647 1.00 42.99 ? 514 LYS A CG 1 ATOM 2863 C CD . LYS A 1 360 ? 12.124 22.857 84.461 1.00 49.03 ? 514 LYS A CD 1 ATOM 2864 C CE . LYS A 1 360 ? 12.454 23.444 85.831 1.00 58.32 ? 514 LYS A CE 1 ATOM 2865 N NZ . LYS A 1 360 ? 12.872 24.869 85.720 1.00 62.49 ? 514 LYS A NZ 1 ATOM 2866 N N . PRO A 1 361 ? 15.962 20.073 82.276 1.00 37.84 ? 515 PRO A N 1 ATOM 2867 C CA . PRO A 1 361 ? 16.490 18.903 82.968 1.00 40.45 ? 515 PRO A CA 1 ATOM 2868 C C . PRO A 1 361 ? 16.095 18.921 84.415 1.00 39.67 ? 515 PRO A C 1 ATOM 2869 O O . PRO A 1 361 ? 16.103 20.002 85.026 1.00 42.18 ? 515 PRO A O 1 ATOM 2870 C CB . PRO A 1 361 ? 18.012 19.052 82.818 1.00 41.89 ? 515 PRO A CB 1 ATOM 2871 C CG . PRO A 1 361 ? 18.201 19.966 81.656 1.00 44.12 ? 515 PRO A CG 1 ATOM 2872 C CD . PRO A 1 361 ? 17.053 20.935 81.773 1.00 41.86 ? 515 PRO A CD 1 ATOM 2873 N N . LEU A 1 362 ? 15.688 17.787 84.971 1.00 35.30 ? 516 LEU A N 1 ATOM 2874 C CA . LEU A 1 362 ? 15.289 17.779 86.388 1.00 40.21 ? 516 LEU A CA 1 ATOM 2875 C C . LEU A 1 362 ? 16.443 17.193 87.216 1.00 44.04 ? 516 LEU A C 1 ATOM 2876 O O . LEU A 1 362 ? 17.358 16.584 86.669 1.00 43.67 ? 516 LEU A O 1 ATOM 2877 C CB . LEU A 1 362 ? 14.036 16.949 86.629 1.00 40.86 ? 516 LEU A CB 1 ATOM 2878 C CG . LEU A 1 362 ? 12.835 17.309 85.774 1.00 41.41 ? 516 LEU A CG 1 ATOM 2879 C CD1 . LEU A 1 362 ? 11.753 16.248 86.008 1.00 39.85 ? 516 LEU A CD1 1 ATOM 2880 C CD2 . LEU A 1 362 ? 12.366 18.735 86.109 1.00 40.36 ? 516 LEU A CD2 1 ATOM 2881 N N . ARG A 1 363 ? 16.399 17.364 88.530 1.00 46.60 ? 517 ARG A N 1 ATOM 2882 C CA . ARG A 1 363 ? 17.473 16.778 89.322 1.00 51.03 ? 517 ARG A CA 1 ATOM 2883 C C . ARG A 1 363 ? 17.195 15.277 89.475 1.00 47.44 ? 517 ARG A C 1 ATOM 2884 O O . ARG A 1 363 ? 16.063 14.890 89.852 1.00 48.10 ? 517 ARG A O 1 ATOM 2885 C CB . ARG A 1 363 ? 17.732 17.520 90.653 1.00 58.01 ? 517 ARG A CB 1 ATOM 2886 C CG . ARG A 1 363 ? 16.702 17.393 91.753 1.00 66.23 ? 517 ARG A CG 1 ATOM 2887 C CD . ARG A 1 363 ? 17.369 17.459 93.136 1.00 73.46 ? 517 ARG A CD 1 ATOM 2888 N NE . ARG A 1 363 ? 16.423 17.072 94.189 1.00 76.89 ? 517 ARG A NE 1 ATOM 2889 C CZ . ARG A 1 363 ? 16.089 15.817 94.523 1.00 80.60 ? 517 ARG A CZ 1 ATOM 2890 N NH1 . ARG A 1 363 ? 16.618 14.760 93.909 1.00 82.55 ? 517 ARG A NH1 1 ATOM 2891 N NH2 . ARG A 1 363 ? 15.199 15.612 95.491 1.00 86.76 ? 517 ARG A NH2 1 ATOM 2892 N N . PRO A 1 364 ? 18.199 14.439 89.163 1.00 46.04 ? 518 PRO A N 1 ATOM 2893 C CA . PRO A 1 364 ? 18.077 12.993 89.285 1.00 49.20 ? 518 PRO A CA 1 ATOM 2894 C C . PRO A 1 364 ? 17.471 12.617 90.619 1.00 47.48 ? 518 PRO A C 1 ATOM 2895 O O . PRO A 1 364 ? 17.842 13.215 91.614 1.00 49.90 ? 518 PRO A O 1 ATOM 2896 C CB . PRO A 1 364 ? 19.521 12.510 89.207 1.00 49.42 ? 518 PRO A CB 1 ATOM 2897 C CG . PRO A 1 364 ? 20.217 13.540 88.396 1.00 49.53 ? 518 PRO A CG 1 ATOM 2898 C CD . PRO A 1 364 ? 19.557 14.840 88.732 1.00 50.46 ? 518 PRO A CD 1 ATOM 2899 N N . GLY A 1 365 ? 16.508 11.705 90.623 1.00 45.18 ? 519 GLY A N 1 ATOM 2900 C CA . GLY A 1 365 ? 15.844 11.272 91.849 1.00 48.75 ? 519 GLY A CA 1 ATOM 2901 C C . GLY A 1 365 ? 14.638 12.085 92.303 1.00 49.89 ? 519 GLY A C 1 ATOM 2902 O O . GLY A 1 365 ? 13.941 11.680 93.244 1.00 53.50 ? 519 GLY A O 1 ATOM 2903 N N . SER A 1 366 ? 14.377 13.240 91.677 1.00 49.99 ? 520 SER A N 1 ATOM 2904 C CA . SER A 1 366 ? 13.175 14.014 92.003 1.00 52.14 ? 520 SER A CA 1 ATOM 2905 C C . SER A 1 366 ? 11.942 13.409 91.311 1.00 47.11 ? 520 SER A C 1 ATOM 2906 O O . SER A 1 366 ? 12.038 12.798 90.241 1.00 47.78 ? 520 SER A O 1 ATOM 2907 C CB . SER A 1 366 ? 13.318 15.492 91.619 1.00 56.88 ? 520 SER A CB 1 ATOM 2908 O OG . SER A 1 366 ? 13.591 15.632 90.235 1.00 59.27 ? 520 SER A OG 1 ATOM 2909 N N . SER A 1 367 ? 10.812 13.567 91.978 1.00 41.02 ? 521 SER A N 1 ATOM 2910 C CA . SER A 1 367 ? 9.529 13.223 91.458 1.00 45.87 ? 521 SER A CA 1 ATOM 2911 C C . SER A 1 367 ? 9.146 14.216 90.350 1.00 46.18 ? 521 SER A C 1 ATOM 2912 O O . SER A 1 367 ? 9.693 15.316 90.267 1.00 42.66 ? 521 SER A O 1 ATOM 2913 C CB . SER A 1 367 ? 8.504 13.249 92.579 1.00 47.08 ? 521 SER A CB 1 ATOM 2914 O OG . SER A 1 367 ? 8.513 14.494 93.243 1.00 51.65 ? 521 SER A OG 1 ATOM 2915 N N . LEU A 1 368 ? 8.199 13.814 89.511 1.00 43.24 ? 522 LEU A N 1 ATOM 2916 C CA . LEU A 1 368 ? 7.886 14.560 88.301 1.00 39.97 ? 522 LEU A CA 1 ATOM 2917 C C . LEU A 1 368 ? 6.664 15.419 88.598 1.00 35.45 ? 522 LEU A C 1 ATOM 2918 O O . LEU A 1 368 ? 5.568 14.903 88.711 1.00 37.00 ? 522 LEU A O 1 ATOM 2919 C CB . LEU A 1 368 ? 7.631 13.580 87.160 1.00 37.23 ? 522 LEU A CB 1 ATOM 2920 C CG . LEU A 1 368 ? 8.824 12.998 86.398 1.00 42.38 ? 522 LEU A CG 1 ATOM 2921 C CD1 . LEU A 1 368 ? 10.008 12.648 87.266 1.00 42.48 ? 522 LEU A CD1 1 ATOM 2922 C CD2 . LEU A 1 368 ? 8.386 11.799 85.532 1.00 38.04 ? 522 LEU A CD2 1 ATOM 2923 N N . GLY A 1 369 ? 6.839 16.734 88.764 1.00 34.51 ? 523 GLY A N 1 ATOM 2924 C CA . GLY A 1 369 ? 5.683 17.636 89.046 1.00 35.10 ? 523 GLY A CA 1 ATOM 2925 C C . GLY A 1 369 ? 4.828 17.911 87.802 1.00 32.82 ? 523 GLY A C 1 ATOM 2926 O O . GLY A 1 369 ? 5.368 18.250 86.745 1.00 32.25 ? 523 GLY A O 1 ATOM 2927 N N . LEU A 1 370 ? 3.518 17.739 87.931 1.00 28.03 ? 524 LEU A N 1 ATOM 2928 C CA . LEU A 1 370 ? 2.578 18.012 86.840 1.00 30.03 ? 524 LEU A CA 1 ATOM 2929 C C . LEU A 1 370 ? 1.511 18.906 87.382 1.00 29.03 ? 524 LEU A C 1 ATOM 2930 O O . LEU A 1 370 ? 0.632 18.467 88.111 1.00 30.14 ? 524 LEU A O 1 ATOM 2931 C CB . LEU A 1 370 ? 1.989 16.702 86.302 1.00 32.01 ? 524 LEU A CB 1 ATOM 2932 C CG . LEU A 1 370 ? 1.273 16.660 84.962 1.00 35.50 ? 524 LEU A CG 1 ATOM 2933 C CD1 . LEU A 1 370 ? 2.069 17.305 83.846 1.00 33.32 ? 524 LEU A CD1 1 ATOM 2934 C CD2 . LEU A 1 370 ? 0.952 15.197 84.604 1.00 37.56 ? 524 LEU A CD2 1 ATOM 2935 N N . PRO A 1 371 ? 1.540 20.199 87.005 1.00 28.40 ? 525 PRO A N 1 ATOM 2936 C CA . PRO A 1 371 ? 0.503 21.099 87.577 1.00 27.74 ? 525 PRO A CA 1 ATOM 2937 C C . PRO A 1 371 ? -0.912 20.751 87.233 1.00 26.92 ? 525 PRO A C 1 ATOM 2938 O O . PRO A 1 371 ? -1.194 20.004 86.255 1.00 28.25 ? 525 PRO A O 1 ATOM 2939 C CB . PRO A 1 371 ? 0.896 22.480 87.041 1.00 30.39 ? 525 PRO A CB 1 ATOM 2940 C CG . PRO A 1 371 ? 2.369 22.363 86.826 1.00 31.51 ? 525 PRO A CG 1 ATOM 2941 C CD . PRO A 1 371 ? 2.621 20.943 86.348 1.00 30.35 ? 525 PRO A CD 1 ATOM 2942 N N . ALA A 1 372 ? -1.845 21.292 87.998 1.00 27.10 ? 526 ALA A N 1 ATOM 2943 C CA . ALA A 1 372 ? -3.252 21.189 87.644 1.00 26.61 ? 526 ALA A CA 1 ATOM 2944 C C . ALA A 1 372 ? -3.518 21.512 86.189 1.00 29.38 ? 526 ALA A C 1 ATOM 2945 O O . ALA A 1 372 ? -2.948 22.487 85.660 1.00 27.99 ? 526 ALA A O 1 ATOM 2946 C CB . ALA A 1 372 ? -4.094 22.106 88.490 1.00 30.11 ? 526 ALA A CB 1 ATOM 2947 N N . PHE A 1 373 ? -4.446 20.762 85.583 1.00 24.74 ? 527 PHE A N 1 ATOM 2948 C CA . PHE A 1 373 ? -4.910 21.050 84.212 1.00 27.86 ? 527 PHE A CA 1 ATOM 2949 C C . PHE A 1 373 ? -3.734 21.353 83.268 1.00 27.28 ? 527 PHE A C 1 ATOM 2950 O O . PHE A 1 373 ? -3.636 22.447 82.654 1.00 30.89 ? 527 PHE A O 1 ATOM 2951 C CB . PHE A 1 373 ? -5.931 22.190 84.223 1.00 28.71 ? 527 PHE A CB 1 ATOM 2952 C CG . PHE A 1 373 ? -7.157 21.883 85.031 1.00 31.99 ? 527 PHE A CG 1 ATOM 2953 C CD1 . PHE A 1 373 ? -8.066 20.912 84.600 1.00 33.85 ? 527 PHE A CD1 1 ATOM 2954 C CD2 . PHE A 1 373 ? -7.396 22.546 86.237 1.00 35.11 ? 527 PHE A CD2 1 ATOM 2955 C CE1 . PHE A 1 373 ? -9.200 20.609 85.346 1.00 37.42 ? 527 PHE A CE1 1 ATOM 2956 C CE2 . PHE A 1 373 ? -8.529 22.240 86.985 1.00 38.42 ? 527 PHE A CE2 1 ATOM 2957 C CZ . PHE A 1 373 ? -9.416 21.275 86.545 1.00 40.09 ? 527 PHE A CZ 1 ATOM 2958 N N . SER A 1 374 ? -2.848 20.389 83.138 1.00 26.05 ? 528 SER A N 1 ATOM 2959 C CA . SER A 1 374 ? -1.643 20.546 82.301 1.00 26.15 ? 528 SER A CA 1 ATOM 2960 C C . SER A 1 374 ? -1.305 19.195 81.648 1.00 24.62 ? 528 SER A C 1 ATOM 2961 O O . SER A 1 374 ? -1.898 18.189 81.997 1.00 26.88 ? 528 SER A O 1 ATOM 2962 C CB . SER A 1 374 ? -0.435 21.059 83.050 1.00 28.99 ? 528 SER A CB 1 ATOM 2963 O OG . SER A 1 374 ? 0.165 20.123 83.918 1.00 30.29 ? 528 SER A OG 1 ATOM 2964 N N . TYR A 1 375 ? -0.361 19.222 80.732 1.00 23.80 ? 529 TYR A N 1 ATOM 2965 C CA . TYR A 1 375 ? 0.196 17.993 80.135 1.00 25.26 ? 529 TYR A CA 1 ATOM 2966 C C . TYR A 1 375 ? 1.663 18.195 79.870 1.00 24.35 ? 529 TYR A C 1 ATOM 2967 O O . TYR A 1 375 ? 2.117 19.314 79.639 1.00 25.35 ? 529 TYR A O 1 ATOM 2968 C CB . TYR A 1 375 ? -0.558 17.576 78.873 1.00 25.10 ? 529 TYR A CB 1 ATOM 2969 C CG . TYR A 1 375 ? -1.115 18.694 78.005 1.00 25.85 ? 529 TYR A CG 1 ATOM 2970 C CD1 . TYR A 1 375 ? -0.367 19.283 77.021 1.00 28.38 ? 529 TYR A CD1 1 ATOM 2971 C CD2 . TYR A 1 375 ? -2.426 19.121 78.161 1.00 26.57 ? 529 TYR A CD2 1 ATOM 2972 C CE1 . TYR A 1 375 ? -0.915 20.288 76.212 1.00 25.39 ? 529 TYR A CE1 1 ATOM 2973 C CE2 . TYR A 1 375 ? -2.974 20.134 77.391 1.00 27.72 ? 529 TYR A CE2 1 ATOM 2974 C CZ . TYR A 1 375 ? -2.205 20.721 76.414 1.00 26.48 ? 529 TYR A CZ 1 ATOM 2975 O OH . TYR A 1 375 ? -2.806 21.708 75.613 1.00 28.24 ? 529 TYR A OH 1 ATOM 2976 N N . SER A 1 376 ? 2.423 17.122 79.950 1.00 22.64 ? 530 SER A N 1 ATOM 2977 C CA . SER A 1 376 ? 3.885 17.170 79.838 1.00 23.27 ? 530 SER A CA 1 ATOM 2978 C C . SER A 1 376 ? 4.453 15.914 79.260 1.00 24.77 ? 530 SER A C 1 ATOM 2979 O O . SER A 1 376 ? 3.855 14.818 79.430 1.00 25.08 ? 530 SER A O 1 ATOM 2980 C CB . SER A 1 376 ? 4.519 17.383 81.251 1.00 24.60 ? 530 SER A CB 1 ATOM 2981 O OG . SER A 1 376 ? 5.929 17.634 81.142 1.00 27.40 ? 530 SER A OG 1 ATOM 2982 N N . PHE A 1 377 ? 5.592 16.055 78.577 1.00 25.72 ? 531 PHE A N 1 ATOM 2983 C CA . PHE A 1 377 ? 6.393 14.901 78.205 1.00 24.65 ? 531 PHE A CA 1 ATOM 2984 C C . PHE A 1 377 ? 7.582 14.854 79.135 1.00 28.27 ? 531 PHE A C 1 ATOM 2985 O O . PHE A 1 377 ? 8.037 15.886 79.647 1.00 28.46 ? 531 PHE A O 1 ATOM 2986 C CB . PHE A 1 377 ? 6.882 14.992 76.786 1.00 24.21 ? 531 PHE A CB 1 ATOM 2987 C CG . PHE A 1 377 ? 5.795 15.110 75.782 1.00 24.69 ? 531 PHE A CG 1 ATOM 2988 C CD1 . PHE A 1 377 ? 5.137 16.319 75.573 1.00 25.60 ? 531 PHE A CD1 1 ATOM 2989 C CD2 . PHE A 1 377 ? 5.458 14.028 74.978 1.00 25.16 ? 531 PHE A CD2 1 ATOM 2990 C CE1 . PHE A 1 377 ? 4.130 16.441 74.628 1.00 27.24 ? 531 PHE A CE1 1 ATOM 2991 C CE2 . PHE A 1 377 ? 4.427 14.148 74.074 1.00 23.79 ? 531 PHE A CE2 1 ATOM 2992 C CZ . PHE A 1 377 ? 3.768 15.337 73.883 1.00 24.39 ? 531 PHE A CZ 1 ATOM 2993 N N . PHE A 1 378 ? 8.074 13.656 79.376 1.00 25.26 ? 532 PHE A N 1 ATOM 2994 C CA . PHE A 1 378 ? 9.287 13.454 80.152 1.00 27.41 ? 532 PHE A CA 1 ATOM 2995 C C . PHE A 1 378 ? 10.167 12.402 79.478 1.00 30.49 ? 532 PHE A C 1 ATOM 2996 O O . PHE A 1 378 ? 9.745 11.239 79.327 1.00 31.01 ? 532 PHE A O 1 ATOM 2997 C CB . PHE A 1 378 ? 8.951 12.987 81.549 1.00 27.11 ? 532 PHE A CB 1 ATOM 2998 C CG . PHE A 1 378 ? 8.062 13.897 82.337 1.00 30.36 ? 532 PHE A CG 1 ATOM 2999 C CD1 . PHE A 1 378 ? 8.599 14.856 83.178 1.00 29.89 ? 532 PHE A CD1 1 ATOM 3000 C CD2 . PHE A 1 378 ? 6.683 13.744 82.324 1.00 26.90 ? 532 PHE A CD2 1 ATOM 3001 C CE1 . PHE A 1 378 ? 7.770 15.644 83.948 1.00 28.52 ? 532 PHE A CE1 1 ATOM 3002 C CE2 . PHE A 1 378 ? 5.873 14.517 83.122 1.00 29.85 ? 532 PHE A CE2 1 ATOM 3003 C CZ . PHE A 1 378 ? 6.419 15.482 83.930 1.00 29.35 ? 532 PHE A CZ 1 ATOM 3004 N N . VAL A 1 379 ? 11.382 12.781 79.094 1.00 28.30 ? 533 VAL A N 1 ATOM 3005 C CA . VAL A 1 379 ? 12.361 11.855 78.542 1.00 28.90 ? 533 VAL A CA 1 ATOM 3006 C C . VAL A 1 379 ? 13.291 11.321 79.668 1.00 31.56 ? 533 VAL A C 1 ATOM 3007 O O . VAL A 1 379 ? 13.993 12.069 80.358 1.00 31.14 ? 533 VAL A O 1 ATOM 3008 C CB . VAL A 1 379 ? 13.152 12.411 77.383 1.00 28.94 ? 533 VAL A CB 1 ATOM 3009 C CG1 . VAL A 1 379 ? 14.172 11.397 76.877 1.00 32.00 ? 533 VAL A CG1 1 ATOM 3010 C CG2 . VAL A 1 379 ? 12.200 12.833 76.276 1.00 30.09 ? 533 VAL A CG2 1 ATOM 3011 N N . ILE A 1 380 ? 13.277 10.007 79.814 1.00 29.69 ? 534 ILE A N 1 ATOM 3012 C CA . ILE A 1 380 ? 14.122 9.296 80.764 1.00 31.93 ? 534 ILE A CA 1 ATOM 3013 C C . ILE A 1 380 ? 15.433 8.914 80.063 1.00 33.61 ? 534 ILE A C 1 ATOM 3014 O O . ILE A 1 380 ? 15.499 7.946 79.295 1.00 33.78 ? 534 ILE A O 1 ATOM 3015 C CB . ILE A 1 380 ? 13.387 8.062 81.340 1.00 33.41 ? 534 ILE A CB 1 ATOM 3016 C CG1 . ILE A 1 380 ? 12.004 8.444 81.841 1.00 34.07 ? 534 ILE A CG1 1 ATOM 3017 C CG2 . ILE A 1 380 ? 14.181 7.467 82.504 1.00 35.89 ? 534 ILE A CG2 1 ATOM 3018 C CD1 . ILE A 1 380 ? 11.127 7.290 82.214 1.00 32.50 ? 534 ILE A CD1 1 ATOM 3019 N N . ARG A 1 381 ? 16.494 9.653 80.364 1.00 31.95 ? 535 ARG A N 1 ATOM 3020 C CA . ARG A 1 381 ? 17.788 9.481 79.691 1.00 33.85 ? 535 ARG A CA 1 ATOM 3021 C C . ARG A 1 381 ? 18.581 8.346 80.282 1.00 34.42 ? 535 ARG A C 1 ATOM 3022 O O . ARG A 1 381 ? 18.470 8.071 81.471 1.00 37.86 ? 535 ARG A O 1 ATOM 3023 C CB . ARG A 1 381 ? 18.620 10.753 79.804 1.00 39.46 ? 535 ARG A CB 1 ATOM 3024 C CG . ARG A 1 381 ? 17.928 11.949 79.223 1.00 38.85 ? 535 ARG A CG 1 ATOM 3025 C CD . ARG A 1 381 ? 18.886 13.136 79.158 1.00 41.27 ? 535 ARG A CD 1 ATOM 3026 N NE . ARG A 1 381 ? 19.926 12.909 78.164 1.00 41.60 ? 535 ARG A NE 1 ATOM 3027 C CZ . ARG A 1 381 ? 21.012 13.672 78.001 1.00 46.63 ? 535 ARG A CZ 1 ATOM 3028 N NH1 . ARG A 1 381 ? 21.226 14.732 78.756 1.00 44.28 ? 535 ARG A NH1 1 ATOM 3029 N NH2 . ARG A 1 381 ? 21.902 13.363 77.073 1.00 52.14 ? 535 ARG A NH2 1 ATOM 3030 N N . ASN A 1 382 ? 19.333 7.651 79.436 1.00 37.35 ? 536 ASN A N 1 ATOM 3031 C CA . ASN A 1 382 ? 20.083 6.464 79.854 1.00 40.72 ? 536 ASN A CA 1 ATOM 3032 C C . ASN A 1 382 ? 19.168 5.416 80.471 1.00 39.66 ? 536 ASN A C 1 ATOM 3033 O O . ASN A 1 382 ? 19.537 4.741 81.408 1.00 40.92 ? 536 ASN A O 1 ATOM 3034 C CB . ASN A 1 382 ? 21.219 6.852 80.838 1.00 44.27 ? 536 ASN A CB 1 ATOM 3035 C CG . ASN A 1 382 ? 22.218 5.739 81.041 1.00 46.43 ? 536 ASN A CG 1 ATOM 3036 O OD1 . ASN A 1 382 ? 22.663 5.080 80.084 1.00 45.95 ? 536 ASN A OD1 1 ATOM 3037 N ND2 . ASN A 1 382 ? 22.546 5.489 82.296 1.00 49.42 ? 536 ASN A ND2 1 ATOM 3038 N N . ALA A 1 383 ? 17.939 5.284 79.939 1.00 42.50 ? 537 ALA A N 1 ATOM 3039 C CA . ALA A 1 383 ? 17.003 4.261 80.454 1.00 39.66 ? 537 ALA A CA 1 ATOM 3040 C C . ALA A 1 383 ? 17.496 2.869 80.067 1.00 34.37 ? 537 ALA A C 1 ATOM 3041 O O . ALA A 1 383 ? 17.197 1.916 80.746 1.00 39.38 ? 537 ALA A O 1 ATOM 3042 C CB . ALA A 1 383 ? 15.582 4.497 79.942 1.00 41.79 ? 537 ALA A CB 1 ATOM 3043 N N . LYS A 1 384 ? 18.263 2.772 78.989 1.00 39.28 ? 538 LYS A N 1 ATOM 3044 C CA . LYS A 1 384 ? 18.852 1.481 78.549 1.00 43.70 ? 538 LYS A CA 1 ATOM 3045 C C . LYS A 1 384 ? 17.815 0.342 78.479 1.00 42.06 ? 538 LYS A C 1 ATOM 3046 O O . LYS A 1 384 ? 18.106 -0.806 78.851 1.00 38.42 ? 538 LYS A O 1 ATOM 3047 C CB . LYS A 1 384 ? 20.045 1.084 79.448 1.00 45.28 ? 538 LYS A CB 1 ATOM 3048 C CG . LYS A 1 384 ? 21.246 2.028 79.333 1.00 51.01 ? 538 LYS A CG 1 ATOM 3049 C CD . LYS A 1 384 ? 22.482 1.503 80.064 1.00 56.63 ? 538 LYS A CD 1 ATOM 3050 C CE . LYS A 1 384 ? 22.200 1.268 81.543 1.00 61.37 ? 538 LYS A CE 1 ATOM 3051 N NZ . LYS A 1 384 ? 23.436 0.920 82.307 1.00 65.29 ? 538 LYS A NZ 1 ATOM 3052 N N . VAL A 1 385 ? 16.621 0.667 77.962 1.00 36.85 ? 539 VAL A N 1 ATOM 3053 C CA . VAL A 1 385 ? 15.548 -0.326 77.768 1.00 35.35 ? 539 VAL A CA 1 ATOM 3054 C C . VAL A 1 385 ? 15.850 -1.141 76.496 1.00 32.49 ? 539 VAL A C 1 ATOM 3055 O O . VAL A 1 385 ? 15.889 -0.615 75.390 1.00 30.93 ? 539 VAL A O 1 ATOM 3056 C CB . VAL A 1 385 ? 14.144 0.360 77.740 1.00 36.15 ? 539 VAL A CB 1 ATOM 3057 C CG1 . VAL A 1 385 ? 13.038 -0.602 77.288 1.00 35.85 ? 539 VAL A CG1 1 ATOM 3058 C CG2 . VAL A 1 385 ? 13.831 0.976 79.106 1.00 35.32 ? 539 VAL A CG2 1 ATOM 3059 N N . ALA A 1 386 ? 16.031 -2.448 76.656 1.00 32.35 ? 540 ALA A N 1 ATOM 3060 C CA . ALA A 1 386 ? 16.405 -3.306 75.505 1.00 36.91 ? 540 ALA A CA 1 ATOM 3061 C C . ALA A 1 386 ? 15.360 -3.337 74.387 1.00 34.83 ? 540 ALA A C 1 ATOM 3062 O O . ALA A 1 386 ? 15.703 -3.304 73.230 1.00 37.09 ? 540 ALA A O 1 ATOM 3063 C CB . ALA A 1 386 ? 16.723 -4.730 75.990 1.00 37.84 ? 540 ALA A CB 1 ATOM 3064 N N . ALA A 1 387 ? 14.079 -3.353 74.746 1.00 35.01 ? 541 ALA A N 1 ATOM 3065 C CA . ALA A 1 387 ? 12.983 -3.298 73.768 1.00 34.89 ? 541 ALA A CA 1 ATOM 3066 C C . ALA A 1 387 ? 13.054 -2.092 72.830 1.00 36.48 ? 541 ALA A C 1 ATOM 3067 O O . ALA A 1 387 ? 12.536 -2.141 71.754 1.00 38.37 ? 541 ALA A O 1 ATOM 3068 C CB . ALA A 1 387 ? 11.649 -3.312 74.478 1.00 35.65 ? 541 ALA A CB 1 ATOM 3069 N N . CYS A 1 388 ? 13.700 -1.014 73.255 1.00 38.65 ? 542 CYS A N 1 ATOM 3070 C CA . CYS A 1 388 ? 13.809 0.182 72.456 1.00 38.96 ? 542 CYS A CA 1 ATOM 3071 C C . CYS A 1 388 ? 15.012 0.170 71.501 1.00 50.32 ? 542 CYS A C 1 ATOM 3072 O O . CYS A 1 388 ? 15.104 1.034 70.646 1.00 52.48 ? 542 CYS A O 1 ATOM 3073 C CB . CYS A 1 388 ? 13.867 1.401 73.374 1.00 40.48 ? 542 CYS A CB 1 ATOM 3074 S SG . CYS A 1 388 ? 12.357 1.611 74.361 1.00 34.36 ? 542 CYS A SG 1 ATOM 3075 N N . ILE A 1 389 ? 15.916 -0.800 71.629 1.00 56.31 ? 543 ILE A N 1 ATOM 3076 C CA . ILE A 1 389 ? 17.173 -0.756 70.875 1.00 63.00 ? 543 ILE A CA 1 ATOM 3077 C C . ILE A 1 389 ? 16.974 -1.636 69.657 1.00 66.11 ? 543 ILE A C 1 ATOM 3078 O O . ILE A 1 389 ? 16.584 -1.100 68.628 1.00 67.24 ? 543 ILE A O 1 ATOM 3079 C CB . ILE A 1 389 ? 18.413 -1.143 71.725 1.00 64.63 ? 543 ILE A CB 1 ATOM 3080 C CG1 . ILE A 1 389 ? 18.500 -0.272 72.999 1.00 63.66 ? 543 ILE A CG1 1 ATOM 3081 C CG2 . ILE A 1 389 ? 19.690 -0.937 70.901 1.00 64.33 ? 543 ILE A CG2 1 ATOM 3082 C CD1 . ILE A 1 389 ? 19.304 -0.845 74.151 1.00 64.12 ? 543 ILE A CD1 1 ATOM 3083 O OXT . ILE A 1 389 ? 17.153 -2.854 69.666 1.00 66.22 ? 543 ILE A OXT 1 ATOM 3084 N N . GLN B 2 4 ? -2.724 13.726 100.056 1.00 76.80 ? 1 GLN B N 1 ATOM 3085 C CA . GLN B 2 4 ? -1.565 13.128 99.319 1.00 76.30 ? 1 GLN B CA 1 ATOM 3086 C C . GLN B 2 4 ? -1.661 13.268 97.785 1.00 69.03 ? 1 GLN B C 1 ATOM 3087 O O . GLN B 2 4 ? -2.665 12.911 97.136 1.00 61.20 ? 1 GLN B O 1 ATOM 3088 C CB . GLN B 2 4 ? -1.296 11.666 99.720 1.00 79.91 ? 1 GLN B CB 1 ATOM 3089 C CG . GLN B 2 4 ? -0.156 11.532 100.715 1.00 84.78 ? 1 GLN B CG 1 ATOM 3090 C CD . GLN B 2 4 ? 1.129 12.068 100.126 1.00 85.20 ? 1 GLN B CD 1 ATOM 3091 O OE1 . GLN B 2 4 ? 1.626 11.529 99.145 1.00 83.66 ? 1 GLN B OE1 1 ATOM 3092 N NE2 . GLN B 2 4 ? 1.637 13.168 100.677 1.00 82.88 ? 1 GLN B NE2 1 ATOM 3093 N N . ASP B 2 5 ? -0.591 13.806 97.221 1.00 51.43 ? 2 ASP B N 1 ATOM 3094 C CA . ASP B 2 5 ? -0.587 14.156 95.816 1.00 48.48 ? 2 ASP B CA 1 ATOM 3095 C C . ASP B 2 5 ? 0.545 13.492 95.102 1.00 46.35 ? 2 ASP B C 1 ATOM 3096 O O . ASP B 2 5 ? 0.884 13.924 94.009 1.00 42.87 ? 2 ASP B O 1 ATOM 3097 C CB . ASP B 2 5 ? -0.534 15.699 95.678 1.00 44.34 ? 2 ASP B CB 1 ATOM 3098 C CG . ASP B 2 5 ? -1.833 16.366 96.133 1.00 43.65 ? 2 ASP B CG 1 ATOM 3099 O OD1 . ASP B 2 5 ? -2.949 15.868 95.831 1.00 42.83 ? 2 ASP B OD1 1 ATOM 3100 O OD2 . ASP B 2 5 ? -1.753 17.416 96.790 1.00 53.64 ? 2 ASP B OD2 1 ATOM 3101 N N . VAL B 2 6 ? 1.095 12.416 95.685 1.00 43.27 ? 3 VAL B N 1 ATOM 3102 C CA . VAL B 2 6 ? 2.161 11.637 95.078 1.00 47.64 ? 3 VAL B CA 1 ATOM 3103 C C . VAL B 2 6 ? 1.540 10.357 94.497 1.00 48.56 ? 3 VAL B C 1 ATOM 3104 O O . VAL B 2 6 ? 0.661 9.714 95.117 1.00 41.98 ? 3 VAL B O 1 ATOM 3105 C CB . VAL B 2 6 ? 3.295 11.367 96.075 1.00 51.56 ? 3 VAL B CB 1 ATOM 3106 C CG1 . VAL B 2 6 ? 4.457 10.641 95.413 1.00 46.85 ? 3 VAL B CG1 1 ATOM 3107 C CG2 . VAL B 2 6 ? 3.746 12.690 96.689 1.00 50.12 ? 3 VAL B CG2 1 ATOM 3108 N N . VAL B 2 7 ? 1.941 10.047 93.259 1.00 46.38 ? 4 VAL B N 1 ATOM 3109 C CA . VAL B 2 7 ? 1.337 8.969 92.478 1.00 46.59 ? 4 VAL B CA 1 ATOM 3110 C C . VAL B 2 7 ? 2.498 8.135 91.977 1.00 45.79 ? 4 VAL B C 1 ATOM 3111 O O . VAL B 2 7 ? 3.410 8.651 91.327 1.00 42.61 ? 4 VAL B O 1 ATOM 3112 C CB . VAL B 2 7 ? 0.500 9.520 91.289 1.00 53.31 ? 4 VAL B CB 1 ATOM 3113 C CG1 . VAL B 2 7 ? -0.315 8.420 90.586 1.00 52.55 ? 4 VAL B CG1 1 ATOM 3114 C CG2 . VAL B 2 7 ? -0.433 10.619 91.772 1.00 55.05 ? 4 VAL B CG2 1 ATOM 3115 N N . ASP B 2 8 ? 2.459 6.837 92.274 1.00 38.58 ? 5 ASP B N 1 ATOM 3116 C CA . ASP B 2 8 ? 3.488 5.928 91.829 1.00 37.42 ? 5 ASP B CA 1 ATOM 3117 C C . ASP B 2 8 ? 3.026 5.299 90.491 1.00 32.53 ? 5 ASP B C 1 ATOM 3118 O O . ASP B 2 8 ? 1.854 5.010 90.290 1.00 35.15 ? 5 ASP B O 1 ATOM 3119 C CB . ASP B 2 8 ? 3.690 4.810 92.871 1.00 44.01 ? 5 ASP B CB 1 ATOM 3120 C CG . ASP B 2 8 ? 4.386 5.310 94.163 1.00 47.05 ? 5 ASP B CG 1 ATOM 3121 O OD1 . ASP B 2 8 ? 5.508 5.816 94.090 1.00 48.89 ? 5 ASP B OD1 1 ATOM 3122 O OD2 . ASP B 2 8 ? 3.798 5.161 95.246 1.00 49.55 ? 5 ASP B OD2 1 ATOM 3123 N N . LEU B 2 9 ? 3.956 5.193 89.570 1.00 39.00 ? 6 LEU B N 1 ATOM 3124 C CA . LEU B 2 9 ? 3.691 4.583 88.271 1.00 39.50 ? 6 LEU B CA 1 ATOM 3125 C C . LEU B 2 9 ? 4.287 3.167 88.223 1.00 39.96 ? 6 LEU B C 1 ATOM 3126 O O . LEU B 2 9 ? 5.336 2.915 88.816 1.00 40.28 ? 6 LEU B O 1 ATOM 3127 C CB . LEU B 2 9 ? 4.338 5.423 87.175 1.00 37.82 ? 6 LEU B CB 1 ATOM 3128 C CG . LEU B 2 9 ? 3.899 6.893 87.184 1.00 39.53 ? 6 LEU B CG 1 ATOM 3129 C CD1 . LEU B 2 9 ? 4.615 7.575 86.031 1.00 44.61 ? 6 LEU B CD1 1 ATOM 3130 C CD2 . LEU B 2 9 ? 2.386 7.033 87.063 1.00 39.51 ? 6 LEU B CD2 1 ATOM 3131 N N . ASP B 2 10 ? 3.604 2.297 87.482 1.00 35.96 ? 7 ASP B N 1 ATOM 3132 C CA . ASP B 2 10 ? 4.089 0.970 87.035 1.00 34.99 ? 7 ASP B CA 1 ATOM 3133 C C . ASP B 2 10 ? 4.362 1.062 85.513 1.00 31.03 ? 7 ASP B C 1 ATOM 3134 O O . ASP B 2 10 ? 3.561 1.696 84.810 1.00 31.80 ? 7 ASP B O 1 ATOM 3135 C CB . ASP B 2 10 ? 2.996 -0.052 87.220 1.00 39.25 ? 7 ASP B CB 1 ATOM 3136 C CG . ASP B 2 10 ? 2.705 -0.390 88.696 1.00 42.90 ? 7 ASP B CG 1 ATOM 3137 O OD1 . ASP B 2 10 ? 3.656 -0.400 89.497 1.00 42.97 ? 7 ASP B OD1 1 ATOM 3138 O OD2 . ASP B 2 10 ? 1.531 -0.697 88.999 1.00 43.10 ? 7 ASP B OD2 1 ATOM 3139 N N . PHE B 2 11 ? 5.482 0.519 85.045 1.00 30.59 ? 8 PHE B N 1 ATOM 3140 C CA . PHE B 2 11 ? 5.850 0.541 83.604 1.00 29.86 ? 8 PHE B CA 1 ATOM 3141 C C . PHE B 2 11 ? 5.967 -0.905 83.122 1.00 35.45 ? 8 PHE B C 1 ATOM 3142 O O . PHE B 2 11 ? 6.426 -1.779 83.866 1.00 34.26 ? 8 PHE B O 1 ATOM 3143 C CB . PHE B 2 11 ? 7.232 1.158 83.371 1.00 29.93 ? 8 PHE B CB 1 ATOM 3144 C CG . PHE B 2 11 ? 7.341 2.669 83.498 1.00 31.76 ? 8 PHE B CG 1 ATOM 3145 C CD1 . PHE B 2 11 ? 6.243 3.499 83.700 1.00 33.46 ? 8 PHE B CD1 1 ATOM 3146 C CD2 . PHE B 2 11 ? 8.600 3.243 83.368 1.00 32.85 ? 8 PHE B CD2 1 ATOM 3147 C CE1 . PHE B 2 11 ? 6.415 4.872 83.756 1.00 32.12 ? 8 PHE B CE1 1 ATOM 3148 C CE2 . PHE B 2 11 ? 8.781 4.618 83.416 1.00 34.59 ? 8 PHE B CE2 1 ATOM 3149 C CZ . PHE B 2 11 ? 7.667 5.425 83.619 1.00 33.49 ? 8 PHE B CZ 1 ATOM 3150 N N . PHE B 2 12 ? 5.575 -1.149 81.872 1.00 30.44 ? 9 PHE B N 1 ATOM 3151 C CA . PHE B 2 12 ? 5.884 -2.401 81.189 1.00 28.14 ? 9 PHE B CA 1 ATOM 3152 C C . PHE B 2 12 ? 6.848 -2.021 80.096 1.00 28.94 ? 9 PHE B C 1 ATOM 3153 O O . PHE B 2 12 ? 6.504 -1.203 79.245 1.00 30.16 ? 9 PHE B O 1 ATOM 3154 C CB . PHE B 2 12 ? 4.613 -3.026 80.624 1.00 32.69 ? 9 PHE B CB 1 ATOM 3155 C CG . PHE B 2 12 ? 4.872 -4.301 79.819 1.00 30.18 ? 9 PHE B CG 1 ATOM 3156 C CD1 . PHE B 2 12 ? 5.173 -4.234 78.464 1.00 30.04 ? 9 PHE B CD1 1 ATOM 3157 C CD2 . PHE B 2 12 ? 4.812 -5.547 80.435 1.00 33.01 ? 9 PHE B CD2 1 ATOM 3158 C CE1 . PHE B 2 12 ? 5.443 -5.382 77.727 1.00 28.40 ? 9 PHE B CE1 1 ATOM 3159 C CE2 . PHE B 2 12 ? 5.055 -6.707 79.695 1.00 32.79 ? 9 PHE B CE2 1 ATOM 3160 C CZ . PHE B 2 12 ? 5.362 -6.629 78.344 1.00 33.21 ? 9 PHE B CZ 1 ATOM 3161 N N . THR B 2 13 ? 8.064 -2.574 80.121 1.00 27.85 ? 10 THR B N 1 ATOM 3162 C CA . THR B 2 13 ? 9.119 -2.245 79.184 1.00 29.44 ? 10 THR B CA 1 ATOM 3163 C C . THR B 2 13 ? 9.770 -3.469 78.539 1.00 30.33 ? 10 THR B C 1 ATOM 3164 O O . THR B 2 13 ? 10.778 -3.300 77.866 1.00 32.14 ? 10 THR B O 1 ATOM 3165 C CB . THR B 2 13 ? 10.225 -1.414 79.905 1.00 31.73 ? 10 THR B CB 1 ATOM 3166 O OG1 . THR B 2 13 ? 10.787 -2.171 80.996 1.00 33.22 ? 10 THR B OG1 1 ATOM 3167 C CG2 . THR B 2 13 ? 9.649 -0.078 80.459 1.00 31.64 ? 10 THR B CG2 1 ATOM 3168 N N . GLN B 2 14 ? 9.180 -4.652 78.707 1.00 30.86 ? 11 GLN B N 1 ATOM 3169 C CA . GLN B 2 14 ? 9.784 -5.923 78.214 1.00 31.32 ? 11 GLN B CA 1 ATOM 3170 C C . GLN B 2 14 ? 9.877 -6.018 76.746 1.00 33.30 ? 11 GLN B C 1 ATOM 3171 O O . GLN B 2 14 ? 10.866 -6.548 76.226 1.00 32.87 ? 11 GLN B O 1 ATOM 3172 C CB . GLN B 2 14 ? 9.010 -7.151 78.668 1.00 35.11 ? 11 GLN B CB 1 ATOM 3173 C CG . GLN B 2 14 ? 9.030 -7.502 80.141 1.00 41.37 ? 11 GLN B CG 1 ATOM 3174 C CD . GLN B 2 14 ? 8.009 -8.640 80.501 1.00 48.12 ? 11 GLN B CD 1 ATOM 3175 O OE1 . GLN B 2 14 ? 7.648 -8.838 81.670 1.00 44.74 ? 11 GLN B OE1 1 ATOM 3176 N NE2 . GLN B 2 14 ? 7.545 -9.362 79.485 1.00 47.29 ? 11 GLN B NE2 1 ATOM 3177 N N . GLU B 2 15 ? 8.871 -5.521 76.036 1.00 29.93 ? 12 GLU B N 1 ATOM 3178 C CA . GLU B 2 15 ? 8.848 -5.583 74.564 1.00 29.75 ? 12 GLU B CA 1 ATOM 3179 C C . GLU B 2 15 ? 7.851 -4.551 74.077 1.00 27.93 ? 12 GLU B C 1 ATOM 3180 O O . GLU B 2 15 ? 6.951 -4.181 74.834 1.00 29.32 ? 12 GLU B O 1 ATOM 3181 C CB . GLU B 2 15 ? 8.380 -6.978 74.052 1.00 32.65 ? 12 GLU B CB 1 ATOM 3182 C CG . GLU B 2 15 ? 6.992 -7.323 74.594 1.00 34.41 ? 12 GLU B CG 1 ATOM 3183 C CD . GLU B 2 15 ? 6.447 -8.720 74.247 1.00 46.34 ? 12 GLU B CD 1 ATOM 3184 O OE1 . GLU B 2 15 ? 6.882 -9.308 73.268 1.00 46.45 ? 12 GLU B OE1 1 ATOM 3185 O OE2 . GLU B 2 15 ? 5.559 -9.225 74.974 1.00 48.69 ? 12 GLU B OE2 1 ATOM 3186 N N . PRO B 2 16 ? 7.978 -4.117 72.825 1.00 30.01 ? 13 PRO B N 1 ATOM 3187 C CA . PRO B 2 16 ? 6.949 -3.253 72.283 1.00 30.49 ? 13 PRO B CA 1 ATOM 3188 C C . PRO B 2 16 ? 5.580 -3.949 72.246 1.00 30.25 ? 13 PRO B C 1 ATOM 3189 O O . PRO B 2 16 ? 5.471 -5.077 71.744 1.00 29.40 ? 13 PRO B O 1 ATOM 3190 C CB . PRO B 2 16 ? 7.457 -2.939 70.882 1.00 32.39 ? 13 PRO B CB 1 ATOM 3191 C CG . PRO B 2 16 ? 8.916 -3.294 70.893 1.00 34.57 ? 13 PRO B CG 1 ATOM 3192 C CD . PRO B 2 16 ? 8.996 -4.454 71.809 1.00 33.97 ? 13 PRO B CD 1 ATOM 3193 N N . LEU B 2 17 ? 4.533 -3.245 72.684 1.00 24.31 ? 14 LEU B N 1 ATOM 3194 C CA . LEU B 2 17 ? 3.163 -3.743 72.649 1.00 23.36 ? 14 LEU B CA 1 ATOM 3195 C C . LEU B 2 17 ? 2.501 -3.513 71.279 1.00 26.26 ? 14 LEU B C 1 ATOM 3196 O O . LEU B 2 17 ? 1.661 -4.312 70.854 1.00 29.97 ? 14 LEU B O 1 ATOM 3197 C CB . LEU B 2 17 ? 2.327 -3.090 73.755 1.00 24.15 ? 14 LEU B CB 1 ATOM 3198 C CG . LEU B 2 17 ? 2.891 -3.480 75.116 1.00 28.41 ? 14 LEU B CG 1 ATOM 3199 C CD1 . LEU B 2 17 ? 2.329 -2.668 76.275 1.00 28.67 ? 14 LEU B CD1 1 ATOM 3200 C CD2 . LEU B 2 17 ? 2.739 -4.976 75.408 1.00 27.51 ? 14 LEU B CD2 1 ATOM 3201 N N . HIS B 2 18 ? 2.864 -2.426 70.628 1.00 23.87 ? 15 HIS B N 1 ATOM 3202 C CA . HIS B 2 18 ? 2.503 -2.119 69.270 1.00 23.29 ? 15 HIS B CA 1 ATOM 3203 C C . HIS B 2 18 ? 3.593 -1.291 68.655 1.00 23.83 ? 15 HIS B C 1 ATOM 3204 O O . HIS B 2 18 ? 4.463 -0.711 69.349 1.00 24.95 ? 15 HIS B O 1 ATOM 3205 C CB . HIS B 2 18 ? 1.205 -1.271 69.204 1.00 25.46 ? 15 HIS B CB 1 ATOM 3206 C CG . HIS B 2 18 ? 0.005 -1.963 69.741 1.00 26.16 ? 15 HIS B CG 1 ATOM 3207 N ND1 . HIS B 2 18 ? -0.598 -3.026 69.089 1.00 25.57 ? 15 HIS B ND1 1 ATOM 3208 C CD2 . HIS B 2 18 ? -0.672 -1.793 70.891 1.00 29.47 ? 15 HIS B CD2 1 ATOM 3209 C CE1 . HIS B 2 18 ? -1.573 -3.496 69.839 1.00 27.75 ? 15 HIS B CE1 1 ATOM 3210 N NE2 . HIS B 2 18 ? -1.653 -2.746 70.927 1.00 31.03 ? 15 HIS B NE2 1 ATOM 3211 N N . LEU B 2 19 ? 3.514 -1.199 67.339 1.00 23.28 ? 16 LEU B N 1 ATOM 3212 C CA . LEU B 2 19 ? 4.406 -0.358 66.543 1.00 26.38 ? 16 LEU B CA 1 ATOM 3213 C C . LEU B 2 19 ? 3.537 0.573 65.715 1.00 24.85 ? 16 LEU B C 1 ATOM 3214 O O . LEU B 2 19 ? 2.737 0.111 64.906 1.00 25.27 ? 16 LEU B O 1 ATOM 3215 C CB . LEU B 2 19 ? 5.244 -1.268 65.606 1.00 29.54 ? 16 LEU B CB 1 ATOM 3216 C CG . LEU B 2 19 ? 6.404 -0.724 64.782 1.00 40.76 ? 16 LEU B CG 1 ATOM 3217 C CD1 . LEU B 2 19 ? 7.483 -0.012 65.607 1.00 44.93 ? 16 LEU B CD1 1 ATOM 3218 C CD2 . LEU B 2 19 ? 7.053 -1.922 64.045 1.00 39.62 ? 16 LEU B CD2 1 ATOM 3219 N N . VAL B 2 20 ? 3.659 1.876 65.948 1.00 22.44 ? 17 VAL B N 1 ATOM 3220 C CA . VAL B 2 20 ? 2.895 2.835 65.175 1.00 22.84 ? 17 VAL B CA 1 ATOM 3221 C C . VAL B 2 20 ? 3.744 3.250 63.949 1.00 24.12 ? 17 VAL B C 1 ATOM 3222 O O . VAL B 2 20 ? 4.933 3.031 63.910 1.00 24.52 ? 17 VAL B O 1 ATOM 3223 C CB . VAL B 2 20 ? 2.377 4.052 65.960 1.00 22.54 ? 17 VAL B CB 1 ATOM 3224 C CG1 . VAL B 2 20 ? 1.394 3.640 67.087 1.00 24.53 ? 17 VAL B CG1 1 ATOM 3225 C CG2 . VAL B 2 20 ? 3.492 4.874 66.544 1.00 23.70 ? 17 VAL B CG2 1 ATOM 3226 N N . SER B 2 21 ? 3.087 3.777 62.945 1.00 25.93 ? 18 SER B N 1 ATOM 3227 C CA . SER B 2 21 ? 3.789 4.302 61.770 1.00 23.72 ? 18 SER B CA 1 ATOM 3228 C C . SER B 2 21 ? 4.639 5.487 62.189 1.00 26.03 ? 18 SER B C 1 ATOM 3229 O O . SER B 2 21 ? 4.244 6.270 63.091 1.00 22.23 ? 18 SER B O 1 ATOM 3230 C CB . SER B 2 21 ? 2.770 4.745 60.750 1.00 24.25 ? 18 SER B CB 1 ATOM 3231 O OG . SER B 2 21 ? 3.327 5.511 59.678 1.00 24.14 ? 18 SER B OG 1 ATOM 3232 N N . PRO B 2 22 ? 5.764 5.726 61.469 1.00 27.88 ? 19 PRO B N 1 ATOM 3233 C CA . PRO B 2 22 ? 6.444 6.983 61.689 1.00 26.17 ? 19 PRO B CA 1 ATOM 3234 C C . PRO B 2 22 ? 5.547 8.194 61.416 1.00 23.85 ? 19 PRO B C 1 ATOM 3235 O O . PRO B 2 22 ? 5.762 9.275 61.981 1.00 23.66 ? 19 PRO B O 1 ATOM 3236 C CB . PRO B 2 22 ? 7.624 6.933 60.662 1.00 29.10 ? 19 PRO B CB 1 ATOM 3237 C CG . PRO B 2 22 ? 7.825 5.465 60.426 1.00 29.83 ? 19 PRO B CG 1 ATOM 3238 C CD . PRO B 2 22 ? 6.468 4.844 60.490 1.00 29.15 ? 19 PRO B CD 1 ATOM 3239 N N . SER B 2 23 ? 4.536 8.025 60.564 1.00 22.31 ? 20 SER B N 1 ATOM 3240 C CA . SER B 2 23 ? 3.521 9.048 60.297 1.00 22.26 ? 20 SER B CA 1 ATOM 3241 C C . SER B 2 23 ? 2.259 8.893 61.191 1.00 22.69 ? 20 SER B C 1 ATOM 3242 O O . SER B 2 23 ? 1.148 9.336 60.796 1.00 20.80 ? 20 SER B O 1 ATOM 3243 C CB . SER B 2 23 ? 3.054 8.917 58.837 1.00 25.77 ? 20 SER B CB 1 ATOM 3244 O OG . SER B 2 23 ? 4.146 9.069 57.920 1.00 24.68 ? 20 SER B OG 1 ATOM 3245 N N . PHE B 2 24 ? 2.449 8.302 62.370 1.00 21.46 ? 21 PHE B N 1 ATOM 3246 C CA . PHE B 2 24 ? 1.332 8.103 63.313 1.00 23.51 ? 21 PHE B CA 1 ATOM 3247 C C . PHE B 2 24 ? 0.504 9.381 63.486 1.00 23.83 ? 21 PHE B C 1 ATOM 3248 O O . PHE B 2 24 ? -0.711 9.325 63.390 1.00 20.93 ? 21 PHE B O 1 ATOM 3249 C CB . PHE B 2 24 ? 1.896 7.671 64.664 1.00 21.65 ? 21 PHE B CB 1 ATOM 3250 C CG . PHE B 2 24 ? 0.876 7.563 65.775 1.00 20.92 ? 21 PHE B CG 1 ATOM 3251 C CD1 . PHE B 2 24 ? -0.071 6.566 65.795 1.00 19.84 ? 21 PHE B CD1 1 ATOM 3252 C CD2 . PHE B 2 24 ? 0.926 8.456 66.843 1.00 22.19 ? 21 PHE B CD2 1 ATOM 3253 C CE1 . PHE B 2 24 ? -1.022 6.481 66.811 1.00 20.77 ? 21 PHE B CE1 1 ATOM 3254 C CE2 . PHE B 2 24 ? 0.005 8.360 67.879 1.00 23.77 ? 21 PHE B CE2 1 ATOM 3255 C CZ . PHE B 2 24 ? -0.968 7.380 67.861 1.00 21.21 ? 21 PHE B CZ 1 ATOM 3256 N N . LEU B 2 25 ? 1.164 10.529 63.736 1.00 21.26 ? 22 LEU B N 1 ATOM 3257 C CA . LEU B 2 25 ? 0.444 11.797 63.831 1.00 21.91 ? 22 LEU B CA 1 ATOM 3258 C C . LEU B 2 25 ? 0.380 12.429 62.436 1.00 21.75 ? 22 LEU B C 1 ATOM 3259 O O . LEU B 2 25 ? 1.372 13.015 61.960 1.00 21.25 ? 22 LEU B O 1 ATOM 3260 C CB . LEU B 2 25 ? 1.107 12.713 64.854 1.00 22.94 ? 22 LEU B CB 1 ATOM 3261 C CG . LEU B 2 25 ? 0.270 13.871 65.423 1.00 22.84 ? 22 LEU B CG 1 ATOM 3262 C CD1 . LEU B 2 25 ? 1.001 14.448 66.606 1.00 23.75 ? 22 LEU B CD1 1 ATOM 3263 C CD2 . LEU B 2 25 ? -0.076 14.935 64.363 1.00 23.55 ? 22 LEU B CD2 1 ATOM 3264 N N . SER B 2 26 ? -0.761 12.266 61.784 1.00 20.98 ? 23 SER B N 1 ATOM 3265 C CA . SER B 2 26 ? -1.050 12.788 60.454 1.00 21.06 ? 23 SER B CA 1 ATOM 3266 C C . SER B 2 26 ? -2.137 13.863 60.505 1.00 20.64 ? 23 SER B C 1 ATOM 3267 O O . SER B 2 26 ? -2.675 14.189 61.585 1.00 20.61 ? 23 SER B O 1 ATOM 3268 C CB . SER B 2 26 ? -1.381 11.618 59.484 1.00 22.24 ? 23 SER B CB 1 ATOM 3269 O OG . SER B 2 26 ? -0.188 10.879 59.152 1.00 21.44 ? 23 SER B OG 1 ATOM 3270 N N . VAL B 2 27 ? -2.427 14.487 59.366 1.00 21.68 ? 24 VAL B N 1 ATOM 3271 C CA . VAL B 2 27 ? -3.362 15.614 59.327 1.00 22.13 ? 24 VAL B CA 1 ATOM 3272 C C . VAL B 2 27 ? -4.267 15.552 58.076 1.00 22.01 ? 24 VAL B C 1 ATOM 3273 O O . VAL B 2 27 ? -4.025 14.815 57.124 1.00 22.01 ? 24 VAL B O 1 ATOM 3274 C CB . VAL B 2 27 ? -2.594 16.951 59.392 1.00 24.05 ? 24 VAL B CB 1 ATOM 3275 C CG1 . VAL B 2 27 ? -1.760 17.056 60.644 1.00 24.00 ? 24 VAL B CG1 1 ATOM 3276 C CG2 . VAL B 2 27 ? -1.649 17.123 58.186 1.00 26.01 ? 24 VAL B CG2 1 ATOM 3277 N N . THR B 2 28 ? -5.331 16.299 58.095 1.00 24.21 ? 25 THR B N 1 ATOM 3278 C CA . THR B 2 28 ? -6.192 16.439 56.961 1.00 23.41 ? 25 THR B CA 1 ATOM 3279 C C . THR B 2 28 ? -6.289 17.887 56.455 1.00 26.03 ? 25 THR B C 1 ATOM 3280 O O . THR B 2 28 ? -5.960 18.889 57.141 1.00 26.07 ? 25 THR B O 1 ATOM 3281 C CB . THR B 2 28 ? -7.656 15.990 57.284 1.00 24.52 ? 25 THR B CB 1 ATOM 3282 O OG1 . THR B 2 28 ? -8.230 17.033 58.007 1.00 23.03 ? 25 THR B OG1 1 ATOM 3283 C CG2 . THR B 2 28 ? -7.779 14.728 58.042 1.00 25.60 ? 25 THR B CG2 1 ATOM 3284 N N . ILE B 2 29 ? -6.762 18.005 55.219 1.00 24.10 ? 26 ILE B N 1 ATOM 3285 C CA . ILE B 2 29 ? -7.309 19.271 54.699 1.00 26.83 ? 26 ILE B CA 1 ATOM 3286 C C . ILE B 2 29 ? -8.734 18.872 54.258 1.00 26.32 ? 26 ILE B C 1 ATOM 3287 O O . ILE B 2 29 ? -8.931 17.878 53.527 1.00 24.71 ? 26 ILE B O 1 ATOM 3288 C CB . ILE B 2 29 ? -6.509 19.774 53.475 1.00 32.85 ? 26 ILE B CB 1 ATOM 3289 C CG1 . ILE B 2 29 ? -5.112 20.278 53.861 1.00 35.44 ? 26 ILE B CG1 1 ATOM 3290 C CG2 . ILE B 2 29 ? -7.270 20.870 52.695 1.00 33.35 ? 26 ILE B CG2 1 ATOM 3291 C CD1 . ILE B 2 29 ? -5.079 21.566 54.632 1.00 36.06 ? 26 ILE B CD1 1 ATOM 3292 N N . ASP B 2 30 ? -9.717 19.632 54.702 1.00 26.10 ? 27 ASP B N 1 ATOM 3293 C CA . ASP B 2 30 ? -11.081 19.320 54.339 1.00 28.10 ? 27 ASP B CA 1 ATOM 3294 C C . ASP B 2 30 ? -11.263 19.582 52.828 1.00 29.08 ? 27 ASP B C 1 ATOM 3295 O O . ASP B 2 30 ? -10.847 20.634 52.330 1.00 29.14 ? 27 ASP B O 1 ATOM 3296 C CB . ASP B 2 30 ? -12.062 20.127 55.140 1.00 30.80 ? 27 ASP B CB 1 ATOM 3297 C CG . ASP B 2 30 ? -13.466 19.505 55.112 1.00 34.06 ? 27 ASP B CG 1 ATOM 3298 O OD1 . ASP B 2 30 ? -14.203 19.630 54.084 1.00 32.96 ? 27 ASP B OD1 1 ATOM 3299 O OD2 . ASP B 2 30 ? -13.807 18.833 56.083 1.00 33.17 ? 27 ASP B OD2 1 ATOM 3300 N N . ALA B 2 31 ? -11.892 18.641 52.133 1.00 28.65 ? 28 ALA B N 1 ATOM 3301 C CA . ALA B 2 31 ? -12.175 18.769 50.715 1.00 28.09 ? 28 ALA B CA 1 ATOM 3302 C C . ALA B 2 31 ? -12.903 20.095 50.388 1.00 29.75 ? 28 ALA B C 1 ATOM 3303 O O . ALA B 2 31 ? -12.769 20.652 49.281 1.00 31.56 ? 28 ALA B O 1 ATOM 3304 C CB . ALA B 2 31 ? -13.007 17.571 50.253 1.00 31.33 ? 28 ALA B CB 1 ATOM 3305 N N . ASN B 2 32 ? -13.678 20.614 51.338 1.00 29.42 ? 29 ASN B N 1 ATOM 3306 C CA . ASN B 2 32 ? -14.373 21.874 51.108 1.00 33.95 ? 29 ASN B CA 1 ATOM 3307 C C . ASN B 2 32 ? -13.481 23.075 50.881 1.00 35.81 ? 29 ASN B C 1 ATOM 3308 O O . ASN B 2 32 ? -13.925 24.044 50.271 1.00 35.68 ? 29 ASN B O 1 ATOM 3309 C CB . ASN B 2 32 ? -15.314 22.207 52.245 1.00 35.68 ? 29 ASN B CB 1 ATOM 3310 C CG . ASN B 2 32 ? -16.419 23.120 51.801 1.00 40.04 ? 29 ASN B CG 1 ATOM 3311 O OD1 . ASN B 2 32 ? -16.937 22.997 50.685 1.00 40.79 ? 29 ASN B OD1 1 ATOM 3312 N ND2 . ASN B 2 32 ? -16.784 24.047 52.660 1.00 41.56 ? 29 ASN B ND2 1 ATOM 3313 N N . LEU B 2 33 ? -12.244 23.012 51.355 1.00 31.90 ? 30 LEU B N 1 ATOM 3314 C CA . LEU B 2 33 ? -11.293 24.098 51.159 1.00 32.83 ? 30 LEU B CA 1 ATOM 3315 C C . LEU B 2 33 ? -11.014 24.345 49.672 1.00 32.10 ? 30 LEU B C 1 ATOM 3316 O O . LEU B 2 33 ? -10.672 25.460 49.284 1.00 33.70 ? 30 LEU B O 1 ATOM 3317 C CB . LEU B 2 33 ? -9.982 23.846 51.901 1.00 31.38 ? 30 LEU B CB 1 ATOM 3318 C CG . LEU B 2 33 ? -9.082 25.074 52.041 1.00 32.22 ? 30 LEU B CG 1 ATOM 3319 C CD1 . LEU B 2 33 ? -9.766 26.154 52.874 1.00 33.10 ? 30 LEU B CD1 1 ATOM 3320 C CD2 . LEU B 2 33 ? -7.743 24.695 52.675 1.00 37.63 ? 30 LEU B CD2 1 ATOM 3321 N N . ALA B 2 34 ? -11.109 23.294 48.870 1.00 33.51 ? 31 ALA B N 1 ATOM 3322 C CA . ALA B 2 34 ? -10.983 23.419 47.401 1.00 35.93 ? 31 ALA B CA 1 ATOM 3323 C C . ALA B 2 34 ? -12.073 24.302 46.736 1.00 38.84 ? 31 ALA B C 1 ATOM 3324 O O . ALA B 2 34 ? -11.858 24.765 45.621 1.00 41.00 ? 31 ALA B O 1 ATOM 3325 C CB . ALA B 2 34 ? -10.921 22.049 46.752 1.00 31.68 ? 31 ALA B CB 1 ATOM 3326 N N . THR B 2 35 ? -13.191 24.568 47.413 1.00 35.43 ? 32 THR B N 1 ATOM 3327 C CA . THR B 2 35 ? -14.214 25.525 46.919 1.00 40.38 ? 32 THR B CA 1 ATOM 3328 C C . THR B 2 35 ? -13.926 26.986 47.266 1.00 40.12 ? 32 THR B C 1 ATOM 3329 O O . THR B 2 35 ? -14.636 27.879 46.826 1.00 43.82 ? 32 THR B O 1 ATOM 3330 C CB . THR B 2 35 ? -15.645 25.222 47.427 1.00 38.07 ? 32 THR B CB 1 ATOM 3331 O OG1 . THR B 2 35 ? -15.735 25.457 48.837 1.00 39.50 ? 32 THR B OG1 1 ATOM 3332 C CG2 . THR B 2 35 ? -16.068 23.789 47.111 1.00 39.86 ? 32 THR B CG2 1 ATOM 3333 N N . ASP B 2 36 ? -12.911 27.237 48.072 1.00 35.43 ? 33 ASP B N 1 ATOM 3334 C CA . ASP B 2 36 ? -12.523 28.571 48.383 1.00 39.20 ? 33 ASP B CA 1 ATOM 3335 C C . ASP B 2 36 ? -11.817 29.133 47.137 1.00 38.92 ? 33 ASP B C 1 ATOM 3336 O O . ASP B 2 36 ? -10.897 28.493 46.605 1.00 39.54 ? 33 ASP B O 1 ATOM 3337 C CB . ASP B 2 36 ? -11.598 28.557 49.598 1.00 38.75 ? 33 ASP B CB 1 ATOM 3338 C CG . ASP B 2 36 ? -11.433 29.921 50.235 1.00 45.09 ? 33 ASP B CG 1 ATOM 3339 O OD1 . ASP B 2 36 ? -11.076 30.912 49.555 1.00 48.07 ? 33 ASP B OD1 1 ATOM 3340 O OD2 . ASP B 2 36 ? -11.571 29.992 51.462 1.00 51.37 ? 33 ASP B OD2 1 ATOM 3341 N N . PRO B 2 37 ? -12.248 30.339 46.649 1.00 42.94 ? 34 PRO B N 1 ATOM 3342 C CA . PRO B 2 37 ? -11.543 31.004 45.518 1.00 43.44 ? 34 PRO B CA 1 ATOM 3343 C C . PRO B 2 37 ? -10.093 31.307 45.808 1.00 42.57 ? 34 PRO B C 1 ATOM 3344 O O . PRO B 2 37 ? -9.345 31.527 44.870 1.00 45.51 ? 34 PRO B O 1 ATOM 3345 C CB . PRO B 2 37 ? -12.295 32.342 45.326 1.00 45.38 ? 34 PRO B CB 1 ATOM 3346 C CG . PRO B 2 37 ? -13.559 32.238 46.085 1.00 46.69 ? 34 PRO B CG 1 ATOM 3347 C CD . PRO B 2 37 ? -13.469 31.066 47.055 1.00 44.99 ? 34 PRO B CD 1 ATOM 3348 N N . ARG B 2 38 ? -9.690 31.351 47.083 1.00 37.95 ? 35 ARG B N 1 ATOM 3349 C CA . ARG B 2 38 ? -8.290 31.627 47.446 1.00 39.48 ? 35 ARG B CA 1 ATOM 3350 C C . ARG B 2 38 ? -7.456 30.363 47.728 1.00 36.42 ? 35 ARG B C 1 ATOM 3351 O O . ARG B 2 38 ? -6.359 30.450 48.271 1.00 37.21 ? 35 ARG B O 1 ATOM 3352 C CB . ARG B 2 38 ? -8.255 32.596 48.632 1.00 46.84 ? 35 ARG B CB 1 ATOM 3353 C CG . ARG B 2 38 ? -9.142 33.828 48.429 1.00 55.98 ? 35 ARG B CG 1 ATOM 3354 C CD . ARG B 2 38 ? -9.033 34.840 49.564 1.00 63.20 ? 35 ARG B CD 1 ATOM 3355 N NE . ARG B 2 38 ? -7.805 35.646 49.471 1.00 71.66 ? 35 ARG B NE 1 ATOM 3356 C CZ . ARG B 2 38 ? -6.685 35.445 50.173 1.00 76.48 ? 35 ARG B CZ 1 ATOM 3357 N NH1 . ARG B 2 38 ? -6.587 34.452 51.059 1.00 76.08 ? 35 ARG B NH1 1 ATOM 3358 N NH2 . ARG B 2 38 ? -5.638 36.249 49.986 1.00 76.60 ? 35 ARG B NH2 1 ATOM 3359 N N . PHE B 2 39 ? -7.953 29.194 47.311 1.00 34.97 ? 36 PHE B N 1 ATOM 3360 C CA . PHE B 2 39 ? -7.262 27.919 47.546 1.00 34.66 ? 36 PHE B CA 1 ATOM 3361 C C . PHE B 2 39 ? -5.780 28.015 47.168 1.00 39.32 ? 36 PHE B C 1 ATOM 3362 O O . PHE B 2 39 ? -4.897 27.613 47.933 1.00 32.42 ? 36 PHE B O 1 ATOM 3363 C CB . PHE B 2 39 ? -7.935 26.827 46.748 1.00 34.95 ? 36 PHE B CB 1 ATOM 3364 C CG . PHE B 2 39 ? -7.475 25.450 47.069 1.00 34.34 ? 36 PHE B CG 1 ATOM 3365 C CD1 . PHE B 2 39 ? -7.549 24.959 48.375 1.00 37.20 ? 36 PHE B CD1 1 ATOM 3366 C CD2 . PHE B 2 39 ? -7.060 24.604 46.073 1.00 35.67 ? 36 PHE B CD2 1 ATOM 3367 C CE1 . PHE B 2 39 ? -7.168 23.661 48.680 1.00 36.07 ? 36 PHE B CE1 1 ATOM 3368 C CE2 . PHE B 2 39 ? -6.692 23.305 46.351 1.00 35.32 ? 36 PHE B CE2 1 ATOM 3369 C CZ . PHE B 2 39 ? -6.738 22.827 47.670 1.00 36.00 ? 36 PHE B CZ 1 ATOM 3370 N N . LEU B 2 40 ? -5.504 28.575 45.990 1.00 32.77 ? 37 LEU B N 1 ATOM 3371 C CA . LEU B 2 40 ? -4.139 28.706 45.508 1.00 32.21 ? 37 LEU B CA 1 ATOM 3372 C C . LEU B 2 40 ? -3.254 29.606 46.397 1.00 30.92 ? 37 LEU B C 1 ATOM 3373 O O . LEU B 2 40 ? -2.120 29.248 46.762 1.00 37.51 ? 37 LEU B O 1 ATOM 3374 C CB . LEU B 2 40 ? -4.183 29.238 44.043 1.00 35.17 ? 37 LEU B CB 1 ATOM 3375 C CG . LEU B 2 40 ? -2.820 29.226 43.331 1.00 39.50 ? 37 LEU B CG 1 ATOM 3376 C CD1 . LEU B 2 40 ? -2.914 29.029 41.802 1.00 42.63 ? 37 LEU B CD1 1 ATOM 3377 C CD2 . LEU B 2 40 ? -2.051 30.487 43.642 1.00 41.82 ? 37 LEU B CD2 1 ATOM 3378 N N . ILE B 2 41 ? -3.783 30.745 46.783 1.00 32.27 ? 38 ILE B N 1 ATOM 3379 C CA . ILE B 2 41 ? -3.064 31.666 47.655 1.00 35.88 ? 38 ILE B CA 1 ATOM 3380 C C . ILE B 2 41 ? -2.733 31.003 49.024 1.00 36.50 ? 38 ILE B C 1 ATOM 3381 O O . ILE B 2 41 ? -1.588 31.040 49.486 1.00 36.29 ? 38 ILE B O 1 ATOM 3382 C CB . ILE B 2 41 ? -3.877 32.963 47.828 1.00 36.39 ? 38 ILE B CB 1 ATOM 3383 C CG1 . ILE B 2 41 ? -3.906 33.726 46.487 1.00 40.77 ? 38 ILE B CG1 1 ATOM 3384 C CG2 . ILE B 2 41 ? -3.268 33.859 48.894 1.00 38.48 ? 38 ILE B CG2 1 ATOM 3385 C CD1 . ILE B 2 41 ? -5.075 34.695 46.347 1.00 46.14 ? 38 ILE B CD1 1 ATOM 3386 N N . LEU B 2 42 ? -3.724 30.305 49.560 1.00 34.35 ? 39 LEU B N 1 ATOM 3387 C CA . LEU B 2 42 ? -3.636 29.711 50.926 1.00 35.26 ? 39 LEU B CA 1 ATOM 3388 C C . LEU B 2 42 ? -2.578 28.628 50.997 1.00 32.10 ? 39 LEU B C 1 ATOM 3389 O O . LEU B 2 42 ? -1.666 28.726 51.778 1.00 36.97 ? 39 LEU B O 1 ATOM 3390 C CB . LEU B 2 42 ? -4.994 29.176 51.371 1.00 33.92 ? 39 LEU B CB 1 ATOM 3391 C CG . LEU B 2 42 ? -6.163 30.174 51.477 1.00 36.25 ? 39 LEU B CG 1 ATOM 3392 C CD1 . LEU B 2 42 ? -7.466 29.411 51.660 1.00 36.14 ? 39 LEU B CD1 1 ATOM 3393 C CD2 . LEU B 2 42 ? -6.039 31.251 52.521 1.00 38.49 ? 39 LEU B CD2 1 ATOM 3394 N N . LEU B 2 43 ? -2.660 27.626 50.136 1.00 33.49 ? 40 LEU B N 1 ATOM 3395 C CA . LEU B 2 43 ? -1.699 26.542 50.120 1.00 34.33 ? 40 LEU B CA 1 ATOM 3396 C C . LEU B 2 43 ? -0.334 26.892 49.482 1.00 37.11 ? 40 LEU B C 1 ATOM 3397 O O . LEU B 2 43 ? 0.653 26.150 49.641 1.00 33.08 ? 40 LEU B O 1 ATOM 3398 C CB . LEU B 2 43 ? -2.294 25.315 49.476 1.00 34.70 ? 40 LEU B CB 1 ATOM 3399 C CG . LEU B 2 43 ? -3.525 24.660 50.170 1.00 37.11 ? 40 LEU B CG 1 ATOM 3400 C CD1 . LEU B 2 43 ? -3.676 23.232 49.686 1.00 35.39 ? 40 LEU B CD1 1 ATOM 3401 C CD2 . LEU B 2 43 ? -3.484 24.666 51.687 1.00 39.42 ? 40 LEU B CD2 1 ATOM 3402 N N . GLY B 2 44 ? -0.255 28.041 48.804 1.00 39.94 ? 41 GLY B N 1 ATOM 3403 C CA . GLY B 2 44 ? 1.028 28.555 48.382 1.00 35.80 ? 41 GLY B CA 1 ATOM 3404 C C . GLY B 2 44 ? 1.803 29.270 49.467 1.00 39.16 ? 41 GLY B C 1 ATOM 3405 O O . GLY B 2 44 ? 2.964 29.591 49.241 1.00 41.33 ? 41 GLY B O 1 ATOM 3406 N N . SER B 2 45 ? 1.169 29.547 50.621 1.00 37.94 ? 42 SER B N 1 ATOM 3407 C CA . SER B 2 45 ? 1.780 30.333 51.712 1.00 37.99 ? 42 SER B CA 1 ATOM 3408 C C . SER B 2 45 ? 3.077 29.684 52.149 1.00 40.18 ? 42 SER B C 1 ATOM 3409 O O . SER B 2 45 ? 3.062 28.549 52.562 1.00 36.58 ? 42 SER B O 1 ATOM 3410 C CB . SER B 2 45 ? 0.819 30.430 52.907 1.00 40.38 ? 42 SER B CB 1 ATOM 3411 O OG . SER B 2 45 ? 1.439 30.954 54.069 1.00 37.18 ? 42 SER B OG 1 ATOM 3412 N N . PRO B 2 46 ? 4.217 30.384 52.016 1.00 38.76 ? 43 PRO B N 1 ATOM 3413 C CA . PRO B 2 46 ? 5.447 29.840 52.580 1.00 38.06 ? 43 PRO B CA 1 ATOM 3414 C C . PRO B 2 46 ? 5.420 29.582 54.131 1.00 33.21 ? 43 PRO B C 1 ATOM 3415 O O . PRO B 2 46 ? 6.015 28.637 54.579 1.00 34.39 ? 43 PRO B O 1 ATOM 3416 C CB . PRO B 2 46 ? 6.512 30.941 52.242 1.00 44.34 ? 43 PRO B CB 1 ATOM 3417 C CG . PRO B 2 46 ? 5.919 31.717 51.104 1.00 42.91 ? 43 PRO B CG 1 ATOM 3418 C CD . PRO B 2 46 ? 4.439 31.683 51.313 1.00 41.09 ? 43 PRO B CD 1 ATOM 3419 N N . LYS B 2 47 ? 4.740 30.432 54.885 1.00 33.51 ? 44 LYS B N 1 ATOM 3420 C CA . LYS B 2 47 ? 4.597 30.293 56.330 1.00 37.18 ? 44 LYS B CA 1 ATOM 3421 C C . LYS B 2 47 ? 3.860 28.946 56.625 1.00 34.07 ? 44 LYS B C 1 ATOM 3422 O O . LYS B 2 47 ? 4.284 28.147 57.482 1.00 28.82 ? 44 LYS B O 1 ATOM 3423 C CB . LYS B 2 47 ? 3.817 31.487 56.823 1.00 40.51 ? 44 LYS B CB 1 ATOM 3424 C CG . LYS B 2 47 ? 3.756 31.706 58.319 1.00 48.01 ? 44 LYS B CG 1 ATOM 3425 C CD . LYS B 2 47 ? 2.926 32.973 58.560 1.00 48.89 ? 44 LYS B CD 1 ATOM 3426 C CE . LYS B 2 47 ? 2.735 33.302 60.020 1.00 54.75 ? 44 LYS B CE 1 ATOM 3427 N NZ . LYS B 2 47 ? 1.864 34.485 60.254 1.00 61.97 ? 44 LYS B NZ 1 ATOM 3428 N N . LEU B 2 48 ? 2.749 28.730 55.921 1.00 34.45 ? 45 LEU B N 1 ATOM 3429 C CA . LEU B 2 48 ? 1.950 27.490 56.077 1.00 32.67 ? 45 LEU B CA 1 ATOM 3430 C C . LEU B 2 48 ? 2.793 26.265 55.701 1.00 34.35 ? 45 LEU B C 1 ATOM 3431 O O . LEU B 2 48 ? 2.736 25.232 56.369 1.00 30.88 ? 45 LEU B O 1 ATOM 3432 C CB . LEU B 2 48 ? 0.667 27.549 55.262 1.00 34.46 ? 45 LEU B CB 1 ATOM 3433 C CG . LEU B 2 48 ? -0.371 26.462 55.599 1.00 33.72 ? 45 LEU B CG 1 ATOM 3434 C CD1 . LEU B 2 48 ? -0.877 26.659 57.024 1.00 32.64 ? 45 LEU B CD1 1 ATOM 3435 C CD2 . LEU B 2 48 ? -1.521 26.544 54.640 1.00 35.76 ? 45 LEU B CD2 1 ATOM 3436 N N . ARG B 2 49 ? 3.631 26.363 54.663 1.00 31.40 ? 46 ARG B N 1 ATOM 3437 C CA . ARG B 2 49 ? 4.471 25.202 54.299 1.00 32.09 ? 46 ARG B CA 1 ATOM 3438 C C . ARG B 2 49 ? 5.564 24.920 55.304 1.00 29.44 ? 46 ARG B C 1 ATOM 3439 O O . ARG B 2 49 ? 5.907 23.738 55.534 1.00 32.25 ? 46 ARG B O 1 ATOM 3440 C CB . ARG B 2 49 ? 5.027 25.346 52.894 1.00 34.46 ? 46 ARG B CB 1 ATOM 3441 C CG . ARG B 2 49 ? 3.881 25.333 51.861 1.00 37.35 ? 46 ARG B CG 1 ATOM 3442 C CD . ARG B 2 49 ? 4.408 25.667 50.495 1.00 40.24 ? 46 ARG B CD 1 ATOM 3443 N NE . ARG B 2 49 ? 3.456 25.529 49.413 1.00 41.16 ? 46 ARG B NE 1 ATOM 3444 C CZ . ARG B 2 49 ? 3.816 25.466 48.136 1.00 44.43 ? 46 ARG B CZ 1 ATOM 3445 N NH1 . ARG B 2 49 ? 5.110 25.465 47.792 1.00 48.32 ? 46 ARG B NH1 1 ATOM 3446 N NH2 . ARG B 2 49 ? 2.888 25.358 47.202 1.00 47.53 ? 46 ARG B NH2 1 ATOM 3447 N N . THR B 2 50 ? 6.064 25.967 55.955 1.00 27.18 ? 47 THR B N 1 ATOM 3448 C CA . THR B 2 50 ? 7.038 25.783 57.009 1.00 28.99 ? 47 THR B CA 1 ATOM 3449 C C . THR B 2 50 ? 6.419 24.984 58.186 1.00 26.14 ? 47 THR B C 1 ATOM 3450 O O . THR B 2 50 ? 7.041 24.101 58.732 1.00 28.81 ? 47 THR B O 1 ATOM 3451 C CB . THR B 2 50 ? 7.594 27.129 57.489 1.00 31.33 ? 47 THR B CB 1 ATOM 3452 O OG1 . THR B 2 50 ? 8.189 27.775 56.350 1.00 32.15 ? 47 THR B OG1 1 ATOM 3453 C CG2 . THR B 2 50 ? 8.624 26.957 58.694 1.00 32.12 ? 47 THR B CG2 1 ATOM 3454 N N . LEU B 2 51 ? 5.222 25.366 58.544 1.00 27.48 ? 48 LEU B N 1 ATOM 3455 C CA . LEU B 2 51 ? 4.504 24.700 59.626 1.00 28.87 ? 48 LEU B CA 1 ATOM 3456 C C . LEU B 2 51 ? 4.212 23.263 59.196 1.00 26.40 ? 48 LEU B C 1 ATOM 3457 O O . LEU B 2 51 ? 4.399 22.313 59.968 1.00 25.57 ? 48 LEU B O 1 ATOM 3458 C CB . LEU B 2 51 ? 3.261 25.477 59.936 1.00 26.85 ? 48 LEU B CB 1 ATOM 3459 C CG . LEU B 2 51 ? 3.446 26.856 60.564 1.00 30.29 ? 48 LEU B CG 1 ATOM 3460 C CD1 . LEU B 2 51 ? 2.136 27.630 60.474 1.00 30.86 ? 48 LEU B CD1 1 ATOM 3461 C CD2 . LEU B 2 51 ? 3.899 26.797 62.017 1.00 33.57 ? 48 LEU B CD2 1 ATOM 3462 N N . ALA B 2 52 ? 3.762 23.086 57.971 1.00 28.00 ? 49 ALA B N 1 ATOM 3463 C CA . ALA B 2 52 ? 3.486 21.708 57.474 1.00 31.35 ? 49 ALA B CA 1 ATOM 3464 C C . ALA B 2 52 ? 4.704 20.816 57.476 1.00 31.22 ? 49 ALA B C 1 ATOM 3465 O O . ALA B 2 52 ? 4.641 19.646 57.955 1.00 29.87 ? 49 ALA B O 1 ATOM 3466 C CB . ALA B 2 52 ? 2.815 21.746 56.101 1.00 31.64 ? 49 ALA B CB 1 ATOM 3467 N N . ARG B 2 53 ? 5.842 21.360 57.011 1.00 28.01 ? 50 ARG B N 1 ATOM 3468 C CA . ARG B 2 53 ? 7.099 20.615 57.029 1.00 30.88 ? 50 ARG B CA 1 ATOM 3469 C C . ARG B 2 53 ? 7.493 20.167 58.422 1.00 27.10 ? 50 ARG B C 1 ATOM 3470 O O . ARG B 2 53 ? 8.116 19.068 58.568 1.00 28.72 ? 50 ARG B O 1 ATOM 3471 C CB . ARG B 2 53 ? 8.300 21.440 56.460 1.00 35.37 ? 50 ARG B CB 1 ATOM 3472 C CG . ARG B 2 53 ? 8.381 21.513 54.983 1.00 42.51 ? 50 ARG B CG 1 ATOM 3473 C CD . ARG B 2 53 ? 9.755 22.077 54.527 1.00 49.75 ? 50 ARG B CD 1 ATOM 3474 N NE . ARG B 2 53 ? 9.780 23.537 54.573 1.00 52.95 ? 50 ARG B NE 1 ATOM 3475 C CZ . ARG B 2 53 ? 9.177 24.346 53.698 1.00 57.36 ? 50 ARG B CZ 1 ATOM 3476 N NH1 . ARG B 2 53 ? 8.508 23.869 52.632 1.00 64.69 ? 50 ARG B NH1 1 ATOM 3477 N NH2 . ARG B 2 53 ? 9.261 25.660 53.884 1.00 60.21 ? 50 ARG B NH2 1 ATOM 3478 N N . GLY B 2 54 ? 7.162 20.985 59.440 1.00 27.98 ? 51 GLY B N 1 ATOM 3479 C CA . GLY B 2 54 ? 7.430 20.618 60.850 1.00 26.75 ? 51 GLY B CA 1 ATOM 3480 C C . GLY B 2 54 ? 6.783 19.295 61.269 1.00 28.55 ? 51 GLY B C 1 ATOM 3481 O O . GLY B 2 54 ? 7.269 18.594 62.163 1.00 28.82 ? 51 GLY B O 1 ATOM 3482 N N . LEU B 2 55 ? 5.715 18.906 60.576 1.00 26.86 ? 52 LEU B N 1 ATOM 3483 C CA . LEU B 2 55 ? 4.994 17.650 60.929 1.00 28.16 ? 52 LEU B CA 1 ATOM 3484 C C . LEU B 2 55 ? 5.360 16.459 60.061 1.00 28.90 ? 52 LEU B C 1 ATOM 3485 O O . LEU B 2 55 ? 4.898 15.352 60.317 1.00 27.90 ? 52 LEU B O 1 ATOM 3486 C CB . LEU B 2 55 ? 3.485 17.890 60.842 1.00 28.82 ? 52 LEU B CB 1 ATOM 3487 C CG . LEU B 2 55 ? 2.968 19.010 61.756 1.00 29.83 ? 52 LEU B CG 1 ATOM 3488 C CD1 . LEU B 2 55 ? 1.444 19.086 61.628 1.00 30.15 ? 52 LEU B CD1 1 ATOM 3489 C CD2 . LEU B 2 55 ? 3.368 18.821 63.203 1.00 32.65 ? 52 LEU B CD2 1 ATOM 3490 N N . SER B 2 56 ? 6.236 16.649 59.068 1.00 26.97 ? 53 SER B N 1 ATOM 3491 C CA . SER B 2 56 ? 6.742 15.533 58.280 1.00 27.18 ? 53 SER B CA 1 ATOM 3492 C C . SER B 2 56 ? 7.600 14.607 59.147 1.00 28.46 ? 53 SER B C 1 ATOM 3493 O O . SER B 2 56 ? 8.327 15.132 60.019 1.00 29.66 ? 53 SER B O 1 ATOM 3494 C CB . SER B 2 56 ? 7.558 16.098 57.111 1.00 28.09 ? 53 SER B CB 1 ATOM 3495 O OG . SER B 2 56 ? 8.107 15.044 56.376 1.00 32.83 ? 53 SER B OG 1 ATOM 3496 N N . PRO B 2 57 ? 7.572 13.290 58.963 1.00 27.31 ? 54 PRO B N 1 ATOM 3497 C CA . PRO B 2 57 ? 6.707 12.577 57.994 1.00 27.44 ? 54 PRO B CA 1 ATOM 3498 C C . PRO B 2 57 ? 5.218 12.458 58.473 1.00 27.62 ? 54 PRO B C 1 ATOM 3499 O O . PRO B 2 57 ? 4.955 12.213 59.669 1.00 27.77 ? 54 PRO B O 1 ATOM 3500 C CB . PRO B 2 57 ? 7.332 11.183 57.974 1.00 28.27 ? 54 PRO B CB 1 ATOM 3501 C CG . PRO B 2 57 ? 7.826 11.009 59.362 1.00 28.56 ? 54 PRO B CG 1 ATOM 3502 C CD . PRO B 2 57 ? 8.307 12.333 59.811 1.00 27.29 ? 54 PRO B CD 1 ATOM 3503 N N . ALA B 2 58 ? 4.297 12.604 57.544 1.00 24.53 ? 55 ALA B N 1 ATOM 3504 C CA . ALA B 2 58 ? 2.868 12.506 57.833 1.00 24.94 ? 55 ALA B CA 1 ATOM 3505 C C . ALA B 2 58 ? 2.116 12.339 56.553 1.00 27.83 ? 55 ALA B C 1 ATOM 3506 O O . ALA B 2 58 ? 2.571 12.809 55.491 1.00 27.16 ? 55 ALA B O 1 ATOM 3507 C CB . ALA B 2 58 ? 2.366 13.757 58.534 1.00 22.92 ? 55 ALA B CB 1 ATOM 3508 N N . TYR B 2 59 ? 0.982 11.645 56.651 1.00 23.12 ? 56 TYR B N 1 ATOM 3509 C CA . TYR B 2 59 ? -0.048 11.724 55.623 1.00 23.24 ? 56 TYR B CA 1 ATOM 3510 C C . TYR B 2 59 ? -0.824 13.049 55.677 1.00 22.44 ? 56 TYR B C 1 ATOM 3511 O O . TYR B 2 59 ? -1.053 13.631 56.757 1.00 22.85 ? 56 TYR B O 1 ATOM 3512 C CB . TYR B 2 59 ? -1.060 10.544 55.729 1.00 24.71 ? 56 TYR B CB 1 ATOM 3513 C CG . TYR B 2 59 ? -0.440 9.192 55.508 1.00 24.07 ? 56 TYR B CG 1 ATOM 3514 C CD1 . TYR B 2 59 ? -0.105 8.769 54.194 1.00 25.84 ? 56 TYR B CD1 1 ATOM 3515 C CD2 . TYR B 2 59 ? -0.060 8.411 56.558 1.00 22.89 ? 56 TYR B CD2 1 ATOM 3516 C CE1 . TYR B 2 59 ? 0.460 7.540 53.971 1.00 26.77 ? 56 TYR B CE1 1 ATOM 3517 C CE2 . TYR B 2 59 ? 0.537 7.165 56.362 1.00 27.76 ? 56 TYR B CE2 1 ATOM 3518 C CZ . TYR B 2 59 ? 0.796 6.755 55.040 1.00 29.83 ? 56 TYR B CZ 1 ATOM 3519 O OH . TYR B 2 59 ? 1.406 5.553 54.845 1.00 32.48 ? 56 TYR B OH 1 ATOM 3520 N N . LEU B 2 60 ? -1.239 13.506 54.496 1.00 21.92 ? 57 LEU B N 1 ATOM 3521 C CA . LEU B 2 60 ? -2.147 14.617 54.325 1.00 23.15 ? 57 LEU B CA 1 ATOM 3522 C C . LEU B 2 60 ? -3.343 14.043 53.608 1.00 25.65 ? 57 LEU B C 1 ATOM 3523 O O . LEU B 2 60 ? -3.258 13.694 52.444 1.00 22.76 ? 57 LEU B O 1 ATOM 3524 C CB . LEU B 2 60 ? -1.530 15.764 53.501 1.00 24.81 ? 57 LEU B CB 1 ATOM 3525 C CG . LEU B 2 60 ? -2.510 16.909 53.217 1.00 28.69 ? 57 LEU B CG 1 ATOM 3526 C CD1 . LEU B 2 60 ? -2.921 17.577 54.522 1.00 32.12 ? 57 LEU B CD1 1 ATOM 3527 C CD2 . LEU B 2 60 ? -1.812 17.931 52.324 1.00 31.98 ? 57 LEU B CD2 1 ATOM 3528 N N . ARG B 2 61 ? -4.459 13.887 54.323 1.00 24.42 ? 58 ARG B N 1 ATOM 3529 C CA . ARG B 2 61 ? -5.676 13.354 53.750 1.00 24.03 ? 58 ARG B CA 1 ATOM 3530 C C . ARG B 2 61 ? -6.572 14.523 53.287 1.00 24.59 ? 58 ARG B C 1 ATOM 3531 O O . ARG B 2 61 ? -6.973 15.365 54.080 1.00 25.62 ? 58 ARG B O 1 ATOM 3532 C CB . ARG B 2 61 ? -6.415 12.501 54.788 1.00 24.65 ? 58 ARG B CB 1 ATOM 3533 C CG . ARG B 2 61 ? -7.658 11.862 54.224 1.00 26.99 ? 58 ARG B CG 1 ATOM 3534 C CD . ARG B 2 61 ? -8.921 12.402 54.816 1.00 26.31 ? 58 ARG B CD 1 ATOM 3535 N NE . ARG B 2 61 ? -10.135 11.722 54.355 1.00 29.78 ? 58 ARG B NE 1 ATOM 3536 C CZ . ARG B 2 61 ? -11.365 11.967 54.823 1.00 24.95 ? 58 ARG B CZ 1 ATOM 3537 N NH1 . ARG B 2 61 ? -11.552 12.869 55.733 1.00 28.20 ? 58 ARG B NH1 1 ATOM 3538 N NH2 . ARG B 2 61 ? -12.408 11.312 54.359 1.00 28.19 ? 58 ARG B NH2 1 ATOM 3539 N N . PHE B 2 62 ? -6.875 14.541 52.002 1.00 22.89 ? 59 PHE B N 1 ATOM 3540 C CA . PHE B 2 62 ? -7.784 15.494 51.384 1.00 24.99 ? 59 PHE B CA 1 ATOM 3541 C C . PHE B 2 62 ? -9.143 14.858 51.232 1.00 23.79 ? 59 PHE B C 1 ATOM 3542 O O . PHE B 2 62 ? -9.345 14.002 50.400 1.00 24.70 ? 59 PHE B O 1 ATOM 3543 C CB . PHE B 2 62 ? -7.236 15.931 50.039 1.00 26.64 ? 59 PHE B CB 1 ATOM 3544 C CG . PHE B 2 62 ? -8.102 16.922 49.356 1.00 28.58 ? 59 PHE B CG 1 ATOM 3545 C CD1 . PHE B 2 62 ? -8.157 18.222 49.796 1.00 31.87 ? 59 PHE B CD1 1 ATOM 3546 C CD2 . PHE B 2 62 ? -8.888 16.543 48.300 1.00 30.09 ? 59 PHE B CD2 1 ATOM 3547 C CE1 . PHE B 2 62 ? -8.954 19.157 49.170 1.00 33.25 ? 59 PHE B CE1 1 ATOM 3548 C CE2 . PHE B 2 62 ? -9.698 17.453 47.654 1.00 33.28 ? 59 PHE B CE2 1 ATOM 3549 C CZ . PHE B 2 62 ? -9.726 18.776 48.078 1.00 33.01 ? 59 PHE B CZ 1 ATOM 3550 N N . GLY B 2 63 ? -10.094 15.265 52.085 1.00 25.94 ? 60 GLY B N 1 ATOM 3551 C CA . GLY B 2 63 ? -11.333 14.517 52.239 1.00 26.84 ? 60 GLY B CA 1 ATOM 3552 C C . GLY B 2 63 ? -12.273 15.220 53.161 1.00 27.15 ? 60 GLY B C 1 ATOM 3553 O O . GLY B 2 63 ? -11.881 16.157 53.852 1.00 27.60 ? 60 GLY B O 1 ATOM 3554 N N . GLY B 2 64 ? -13.505 14.748 53.213 1.00 27.85 ? 61 GLY B N 1 ATOM 3555 C CA . GLY B 2 64 ? -14.520 15.318 54.140 1.00 28.89 ? 61 GLY B CA 1 ATOM 3556 C C . GLY B 2 64 ? -15.863 15.157 53.462 1.00 28.97 ? 61 GLY B C 1 ATOM 3557 O O . GLY B 2 64 ? -15.968 14.443 52.448 1.00 28.05 ? 61 GLY B O 1 ATOM 3558 N N . THR B 2 65 ? -16.904 15.772 54.019 1.00 28.59 ? 62 THR B N 1 ATOM 3559 C CA . THR B 2 65 ? -18.236 15.646 53.415 1.00 28.90 ? 62 THR B CA 1 ATOM 3560 C C . THR B 2 65 ? -18.255 16.006 51.928 1.00 30.24 ? 62 THR B C 1 ATOM 3561 O O . THR B 2 65 ? -18.867 15.301 51.121 1.00 29.35 ? 62 THR B O 1 ATOM 3562 C CB . THR B 2 65 ? -19.282 16.488 54.173 1.00 31.91 ? 62 THR B CB 1 ATOM 3563 O OG1 . THR B 2 65 ? -19.326 16.030 55.537 1.00 33.92 ? 62 THR B OG1 1 ATOM 3564 C CG2 . THR B 2 65 ? -20.653 16.325 53.532 1.00 35.52 ? 62 THR B CG2 1 ATOM 3565 N N . LYS B 2 66 ? -17.543 17.080 51.573 1.00 29.76 ? 63 LYS B N 1 ATOM 3566 C CA . LYS B 2 66 ? -17.484 17.533 50.186 1.00 32.20 ? 63 LYS B CA 1 ATOM 3567 C C . LYS B 2 66 ? -16.841 16.518 49.214 1.00 30.03 ? 63 LYS B C 1 ATOM 3568 O O . LYS B 2 66 ? -17.043 16.604 47.985 1.00 30.33 ? 63 LYS B O 1 ATOM 3569 C CB . LYS B 2 66 ? -16.836 18.903 50.126 1.00 32.56 ? 63 LYS B CB 1 ATOM 3570 C CG . LYS B 2 66 ? -16.999 19.624 48.818 1.00 41.14 ? 63 LYS B CG 1 ATOM 3571 C CD . LYS B 2 66 ? -18.394 20.225 48.638 1.00 42.08 ? 63 LYS B CD 1 ATOM 3572 C CE . LYS B 2 66 ? -18.573 20.621 47.174 1.00 48.09 ? 63 LYS B CE 1 ATOM 3573 N NZ . LYS B 2 66 ? -19.777 21.461 46.974 1.00 53.38 ? 63 LYS B NZ 1 ATOM 3574 N N . THR B 2 67 ? -16.115 15.525 49.712 1.00 28.22 ? 64 THR B N 1 ATOM 3575 C CA . THR B 2 67 ? -15.531 14.471 48.844 1.00 28.07 ? 64 THR B CA 1 ATOM 3576 C C . THR B 2 67 ? -16.540 13.888 47.832 1.00 30.03 ? 64 THR B C 1 ATOM 3577 O O . THR B 2 67 ? -16.208 13.559 46.657 1.00 29.33 ? 64 THR B O 1 ATOM 3578 C CB . THR B 2 67 ? -14.983 13.311 49.737 1.00 32.26 ? 64 THR B CB 1 ATOM 3579 O OG1 . THR B 2 67 ? -13.839 13.785 50.475 1.00 31.96 ? 64 THR B OG1 1 ATOM 3580 C CG2 . THR B 2 67 ? -14.649 12.046 48.981 1.00 31.98 ? 64 THR B CG2 1 ATOM 3581 N N . ASP B 2 68 ? -17.771 13.742 48.306 1.00 30.82 ? 65 ASP B N 1 ATOM 3582 C CA . ASP B 2 68 ? -18.800 13.079 47.529 1.00 32.16 ? 65 ASP B CA 1 ATOM 3583 C C . ASP B 2 68 ? -19.692 14.051 46.748 1.00 33.23 ? 65 ASP B C 1 ATOM 3584 O O . ASP B 2 68 ? -20.757 13.663 46.286 1.00 33.13 ? 65 ASP B O 1 ATOM 3585 C CB . ASP B 2 68 ? -19.581 12.140 48.450 1.00 34.14 ? 65 ASP B CB 1 ATOM 3586 C CG . ASP B 2 68 ? -18.686 11.048 49.036 1.00 36.45 ? 65 ASP B CG 1 ATOM 3587 O OD1 . ASP B 2 68 ? -18.124 10.253 48.235 1.00 34.42 ? 65 ASP B OD1 1 ATOM 3588 O OD2 . ASP B 2 68 ? -18.507 11.023 50.281 1.00 32.57 ? 65 ASP B OD2 1 ATOM 3589 N N . PHE B 2 69 ? -19.248 15.307 46.656 1.00 33.91 ? 66 PHE B N 1 ATOM 3590 C CA . PHE B 2 69 ? -19.886 16.370 45.893 1.00 34.79 ? 66 PHE B CA 1 ATOM 3591 C C . PHE B 2 69 ? -18.828 17.151 45.094 1.00 36.15 ? 66 PHE B C 1 ATOM 3592 O O . PHE B 2 69 ? -19.036 18.315 44.737 1.00 37.55 ? 66 PHE B O 1 ATOM 3593 C CB . PHE B 2 69 ? -20.632 17.297 46.859 1.00 38.87 ? 66 PHE B CB 1 ATOM 3594 C CG . PHE B 2 69 ? -21.685 16.600 47.657 1.00 41.90 ? 66 PHE B CG 1 ATOM 3595 C CD1 . PHE B 2 69 ? -22.971 16.428 47.134 1.00 43.10 ? 66 PHE B CD1 1 ATOM 3596 C CD2 . PHE B 2 69 ? -21.393 16.068 48.921 1.00 37.61 ? 66 PHE B CD2 1 ATOM 3597 C CE1 . PHE B 2 69 ? -23.936 15.763 47.857 1.00 43.81 ? 66 PHE B CE1 1 ATOM 3598 C CE2 . PHE B 2 69 ? -22.363 15.390 49.638 1.00 39.41 ? 66 PHE B CE2 1 ATOM 3599 C CZ . PHE B 2 69 ? -23.629 15.236 49.105 1.00 47.66 ? 66 PHE B CZ 1 ATOM 3600 N N . LEU B 2 70 ? -17.695 16.513 44.820 1.00 33.48 ? 67 LEU B N 1 ATOM 3601 C CA . LEU B 2 70 ? -16.654 17.100 43.991 1.00 35.54 ? 67 LEU B CA 1 ATOM 3602 C C . LEU B 2 70 ? -16.520 16.312 42.718 1.00 32.42 ? 67 LEU B C 1 ATOM 3603 O O . LEU B 2 70 ? -16.392 15.101 42.760 1.00 31.30 ? 67 LEU B O 1 ATOM 3604 C CB . LEU B 2 70 ? -15.320 17.125 44.749 1.00 33.84 ? 67 LEU B CB 1 ATOM 3605 C CG . LEU B 2 70 ? -15.251 18.283 45.762 1.00 37.57 ? 67 LEU B CG 1 ATOM 3606 C CD1 . LEU B 2 70 ? -14.036 18.131 46.682 1.00 36.78 ? 67 LEU B CD1 1 ATOM 3607 C CD2 . LEU B 2 70 ? -15.259 19.652 45.104 1.00 37.72 ? 67 LEU B CD2 1 ATOM 3608 N N . ILE B 2 71 ? -16.539 17.020 41.582 1.00 34.52 ? 68 ILE B N 1 ATOM 3609 C CA . ILE B 2 71 ? -16.353 16.419 40.252 1.00 34.32 ? 68 ILE B CA 1 ATOM 3610 C C . ILE B 2 71 ? -15.143 17.079 39.552 1.00 33.85 ? 68 ILE B C 1 ATOM 3611 O O . ILE B 2 71 ? -15.028 18.319 39.503 1.00 33.31 ? 68 ILE B O 1 ATOM 3612 C CB . ILE B 2 71 ? -17.640 16.669 39.418 1.00 40.68 ? 68 ILE B CB 1 ATOM 3613 C CG1 . ILE B 2 71 ? -18.830 15.990 40.100 1.00 41.58 ? 68 ILE B CG1 1 ATOM 3614 C CG2 . ILE B 2 71 ? -17.448 16.224 37.957 1.00 38.85 ? 68 ILE B CG2 1 ATOM 3615 C CD1 . ILE B 2 71 ? -20.169 16.466 39.618 1.00 48.45 ? 68 ILE B CD1 1 ATOM 3616 N N . PHE B 2 72 ? -14.260 16.250 39.029 1.00 31.96 ? 69 PHE B N 1 ATOM 3617 C CA . PHE B 2 72 ? -13.049 16.688 38.352 1.00 36.66 ? 69 PHE B CA 1 ATOM 3618 C C . PHE B 2 72 ? -13.477 17.137 36.949 1.00 38.59 ? 69 PHE B C 1 ATOM 3619 O O . PHE B 2 72 ? -14.193 16.401 36.286 1.00 39.32 ? 69 PHE B O 1 ATOM 3620 C CB . PHE B 2 72 ? -12.068 15.521 38.208 1.00 37.14 ? 69 PHE B CB 1 ATOM 3621 C CG . PHE B 2 72 ? -10.788 15.855 37.427 1.00 38.75 ? 69 PHE B CG 1 ATOM 3622 C CD1 . PHE B 2 72 ? -10.039 16.989 37.709 1.00 40.44 ? 69 PHE B CD1 1 ATOM 3623 C CD2 . PHE B 2 72 ? -10.346 15.022 36.424 1.00 41.06 ? 69 PHE B CD2 1 ATOM 3624 C CE1 . PHE B 2 72 ? -8.866 17.251 37.010 1.00 40.88 ? 69 PHE B CE1 1 ATOM 3625 C CE2 . PHE B 2 72 ? -9.165 15.268 35.727 1.00 39.63 ? 69 PHE B CE2 1 ATOM 3626 C CZ . PHE B 2 72 ? -8.424 16.382 36.016 1.00 38.25 ? 69 PHE B CZ 1 ATOM 3627 N N . ASP B 2 73 ? -13.019 18.299 36.540 1.00 42.24 ? 70 ASP B N 1 ATOM 3628 C CA . ASP B 2 73 ? -13.303 18.839 35.202 1.00 44.55 ? 70 ASP B CA 1 ATOM 3629 C C . ASP B 2 73 ? -11.989 19.253 34.571 1.00 44.53 ? 70 ASP B C 1 ATOM 3630 O O . ASP B 2 73 ? -11.465 20.314 34.906 1.00 45.59 ? 70 ASP B O 1 ATOM 3631 C CB . ASP B 2 73 ? -14.231 20.028 35.323 1.00 45.53 ? 70 ASP B CB 1 ATOM 3632 C CG . ASP B 2 73 ? -14.589 20.663 33.957 1.00 44.33 ? 70 ASP B CG 1 ATOM 3633 O OD1 . ASP B 2 73 ? -14.043 20.263 32.920 1.00 42.60 ? 70 ASP B OD1 1 ATOM 3634 O OD2 . ASP B 2 73 ? -15.395 21.601 33.989 1.00 46.05 ? 70 ASP B OD2 1 ATOM 3635 N N . PRO B 2 74 ? -11.458 18.421 33.653 1.00 42.03 ? 71 PRO B N 1 ATOM 3636 C CA . PRO B 2 74 ? -10.177 18.739 33.006 1.00 50.78 ? 71 PRO B CA 1 ATOM 3637 C C . PRO B 2 74 ? -10.185 19.974 32.066 1.00 52.88 ? 71 PRO B C 1 ATOM 3638 O O . PRO B 2 74 ? -9.111 20.411 31.660 1.00 53.20 ? 71 PRO B O 1 ATOM 3639 C CB . PRO B 2 74 ? -9.811 17.457 32.250 1.00 52.73 ? 71 PRO B CB 1 ATOM 3640 C CG . PRO B 2 74 ? -11.048 16.621 32.204 1.00 53.08 ? 71 PRO B CG 1 ATOM 3641 C CD . PRO B 2 74 ? -12.072 17.187 33.139 1.00 47.48 ? 71 PRO B CD 1 ATOM 3642 N N . LYS B 2 75 ? -11.352 20.553 31.779 1.00 53.09 ? 72 LYS B N 1 ATOM 3643 C CA . LYS B 2 75 ? -11.451 21.776 30.957 1.00 56.96 ? 72 LYS B CA 1 ATOM 3644 C C . LYS B 2 75 ? -11.477 23.069 31.781 1.00 61.15 ? 72 LYS B C 1 ATOM 3645 O O . LYS B 2 75 ? -11.233 24.153 31.254 1.00 55.61 ? 72 LYS B O 1 ATOM 3646 C CB . LYS B 2 75 ? -12.723 21.728 30.089 1.00 59.88 ? 72 LYS B CB 1 ATOM 3647 C CG . LYS B 2 75 ? -12.930 20.431 29.313 1.00 63.86 ? 72 LYS B CG 1 ATOM 3648 C CD . LYS B 2 75 ? -11.710 20.039 28.497 1.00 68.51 ? 72 LYS B CD 1 ATOM 3649 C CE . LYS B 2 75 ? -12.036 18.902 27.534 1.00 76.06 ? 72 LYS B CE 1 ATOM 3650 N NZ . LYS B 2 75 ? -10.796 18.234 27.043 1.00 78.02 ? 72 LYS B NZ 1 ATOM 3651 N N . LYS B 2 76 ? -11.791 22.961 33.070 1.00 58.60 ? 73 LYS B N 1 ATOM 3652 C CA . LYS B 2 76 ? -11.884 24.131 33.934 1.00 58.66 ? 73 LYS B CA 1 ATOM 3653 C C . LYS B 2 76 ? -10.522 24.817 34.093 1.00 55.74 ? 73 LYS B C 1 ATOM 3654 O O . LYS B 2 76 ? -9.497 24.154 34.090 1.00 55.82 ? 73 LYS B O 1 ATOM 3655 C CB . LYS B 2 76 ? -12.417 23.697 35.297 1.00 55.44 ? 73 LYS B CB 1 ATOM 3656 C CG . LYS B 2 76 ? -12.700 24.859 36.220 1.00 56.71 ? 73 LYS B CG 1 ATOM 3657 C CD . LYS B 2 76 ? -13.325 24.364 37.505 1.00 56.94 ? 73 LYS B CD 1 ATOM 3658 C CE . LYS B 2 76 ? -13.793 25.518 38.369 1.00 58.18 ? 73 LYS B CE 1 ATOM 3659 N NZ . LYS B 2 76 ? -14.895 25.069 39.262 1.00 59.82 ? 73 LYS B NZ 1 ATOM 3660 N N . GLU B 2 77 ? -10.508 26.140 34.238 1.00 63.68 ? 74 GLU B N 1 ATOM 3661 C CA . GLU B 2 77 ? -9.233 26.880 34.391 1.00 70.67 ? 74 GLU B CA 1 ATOM 3662 C C . GLU B 2 77 ? -8.990 27.268 35.839 1.00 72.85 ? 74 GLU B C 1 ATOM 3663 O O . GLU B 2 77 ? -9.942 27.568 36.565 1.00 72.19 ? 74 GLU B O 1 ATOM 3664 C CB . GLU B 2 77 ? -9.206 28.138 33.509 1.00 78.83 ? 74 GLU B CB 1 ATOM 3665 C CG . GLU B 2 77 ? -9.459 27.898 32.015 1.00 81.78 ? 74 GLU B CG 1 ATOM 3666 C CD . GLU B 2 77 ? -8.458 26.948 31.366 1.00 86.11 ? 74 GLU B CD 1 ATOM 3667 O OE1 . GLU B 2 77 ? -7.268 27.312 31.263 1.00 91.52 ? 74 GLU B OE1 1 ATOM 3668 O OE2 . GLU B 2 77 ? -8.862 25.838 30.947 1.00 83.57 ? 74 GLU B OE2 1 ATOM 3669 O OXT . GLU B 2 77 ? -7.843 27.292 36.300 1.00 72.25 ? 74 GLU B OXT 1 HETATM 3670 C C1 . NAG C 3 . ? -24.019 15.331 41.291 1.00 66.38 ? 601 NAG A C1 1 HETATM 3671 C C2 . NAG C 3 . ? -25.543 15.249 41.410 1.00 74.09 ? 601 NAG A C2 1 HETATM 3672 C C3 . NAG C 3 . ? -26.061 13.886 40.942 1.00 72.76 ? 601 NAG A C3 1 HETATM 3673 C C4 . NAG C 3 . ? -25.501 13.479 39.572 1.00 71.87 ? 601 NAG A C4 1 HETATM 3674 C C5 . NAG C 3 . ? -23.984 13.640 39.533 1.00 73.48 ? 601 NAG A C5 1 HETATM 3675 C C6 . NAG C 3 . ? -23.354 13.370 38.155 1.00 72.22 ? 601 NAG A C6 1 HETATM 3676 C C7 . NAG C 3 . ? -26.221 16.780 43.231 1.00 80.32 ? 601 NAG A C7 1 HETATM 3677 C C8 . NAG C 3 . ? -26.578 16.912 44.687 1.00 77.51 ? 601 NAG A C8 1 HETATM 3678 N N2 . NAG C 3 . ? -25.924 15.546 42.791 1.00 77.90 ? 601 NAG A N2 1 HETATM 3679 O O3 . NAG C 3 . ? -27.493 13.950 40.891 1.00 74.71 ? 601 NAG A O3 1 HETATM 3680 O O4 . NAG C 3 . ? -25.814 12.102 39.283 1.00 82.50 ? 601 NAG A O4 1 HETATM 3681 O O5 . NAG C 3 . ? -23.629 14.951 39.963 1.00 69.32 ? 601 NAG A O5 1 HETATM 3682 O O6 . NAG C 3 . ? -23.301 14.546 37.340 1.00 68.01 ? 601 NAG A O6 1 HETATM 3683 O O7 . NAG C 3 . ? -26.215 17.762 42.506 1.00 85.85 ? 601 NAG A O7 1 HETATM 3684 C C1 . NAG D 3 . ? -20.757 7.379 33.802 1.00 59.76 ? 602 NAG A C1 1 HETATM 3685 C C2 . NAG D 3 . ? -21.779 6.901 32.745 1.00 64.13 ? 602 NAG A C2 1 HETATM 3686 C C3 . NAG D 3 . ? -21.556 7.614 31.400 1.00 63.75 ? 602 NAG A C3 1 HETATM 3687 C C4 . NAG D 3 . ? -21.584 9.123 31.641 1.00 63.72 ? 602 NAG A C4 1 HETATM 3688 C C5 . NAG D 3 . ? -20.455 9.449 32.614 1.00 62.39 ? 602 NAG A C5 1 HETATM 3689 C C6 . NAG D 3 . ? -20.283 10.938 32.882 1.00 62.16 ? 602 NAG A C6 1 HETATM 3690 C C7 . NAG D 3 . ? -22.641 4.595 32.979 1.00 55.74 ? 602 NAG A C7 1 HETATM 3691 C C8 . NAG D 3 . ? -22.278 3.162 32.717 1.00 54.61 ? 602 NAG A C8 1 HETATM 3692 N N2 . NAG D 3 . ? -21.681 5.457 32.610 1.00 56.75 ? 602 NAG A N2 1 HETATM 3693 O O3 . NAG D 3 . ? -22.559 7.243 30.442 1.00 71.78 ? 602 NAG A O3 1 HETATM 3694 O O4 . NAG D 3 . ? -21.459 9.898 30.440 1.00 66.20 ? 602 NAG A O4 1 HETATM 3695 O O5 . NAG D 3 . ? -20.786 8.807 33.841 1.00 58.05 ? 602 NAG A O5 1 HETATM 3696 O O6 . NAG D 3 . ? -21.492 11.451 33.446 1.00 64.53 ? 602 NAG A O6 1 HETATM 3697 O O7 . NAG D 3 . ? -23.732 4.903 33.465 1.00 56.12 ? 602 NAG A O7 1 HETATM 3698 C C1 . NAG E 3 . ? 5.364 7.015 46.941 1.00 70.38 ? 603 NAG A C1 1 HETATM 3699 C C2 . NAG E 3 . ? 6.576 6.087 46.748 1.00 76.31 ? 603 NAG A C2 1 HETATM 3700 C C3 . NAG E 3 . ? 6.613 4.967 47.817 1.00 73.91 ? 603 NAG A C3 1 HETATM 3701 C C4 . NAG E 3 . ? 6.492 5.560 49.224 1.00 75.91 ? 603 NAG A C4 1 HETATM 3702 C C5 . NAG E 3 . ? 5.125 6.278 49.261 1.00 72.54 ? 603 NAG A C5 1 HETATM 3703 C C6 . NAG E 3 . ? 4.646 6.779 50.636 1.00 73.19 ? 603 NAG A C6 1 HETATM 3704 C C7 . NAG E 3 . ? 6.986 6.118 44.299 1.00 85.03 ? 603 NAG A C7 1 HETATM 3705 C C8 . NAG E 3 . ? 6.815 5.332 43.023 1.00 86.83 ? 603 NAG A C8 1 HETATM 3706 N N2 . NAG E 3 . ? 6.508 5.518 45.404 1.00 78.79 ? 603 NAG A N2 1 HETATM 3707 O O3 . NAG E 3 . ? 7.789 4.156 47.772 1.00 76.24 ? 603 NAG A O3 1 HETATM 3708 O O4 . NAG E 3 . ? 6.701 4.526 50.211 1.00 73.75 ? 603 NAG A O4 1 HETATM 3709 O O5 . NAG E 3 . ? 5.201 7.386 48.327 1.00 67.43 ? 603 NAG A O5 1 HETATM 3710 O O6 . NAG E 3 . ? 3.194 6.815 50.674 1.00 68.74 ? 603 NAG A O6 1 HETATM 3711 O O7 . NAG E 3 . ? 7.522 7.225 44.298 1.00 78.14 ? 603 NAG A O7 1 HETATM 3712 C C1 . NAG F 3 . ? -26.951 -4.177 48.460 1.00 54.86 ? 604 NAG A C1 1 HETATM 3713 C C2 . NAG F 3 . ? -27.903 -5.369 48.294 1.00 59.08 ? 604 NAG A C2 1 HETATM 3714 C C3 . NAG F 3 . ? -27.907 -5.901 46.859 1.00 60.03 ? 604 NAG A C3 1 HETATM 3715 C C4 . NAG F 3 . ? -28.133 -4.768 45.860 1.00 62.66 ? 604 NAG A C4 1 HETATM 3716 C C5 . NAG F 3 . ? -27.027 -3.732 46.092 1.00 62.39 ? 604 NAG A C5 1 HETATM 3717 C C6 . NAG F 3 . ? -26.952 -2.580 45.087 1.00 62.59 ? 604 NAG A C6 1 HETATM 3718 C C7 . NAG F 3 . ? -27.947 -6.535 50.454 1.00 61.80 ? 604 NAG A C7 1 HETATM 3719 C C8 . NAG F 3 . ? -27.302 -7.583 51.331 1.00 61.49 ? 604 NAG A C8 1 HETATM 3720 N N2 . NAG F 3 . ? -27.427 -6.370 49.237 1.00 59.66 ? 604 NAG A N2 1 HETATM 3721 O O3 . NAG F 3 . ? -28.922 -6.903 46.725 1.00 65.60 ? 604 NAG A O3 1 HETATM 3722 O O4 . NAG F 3 . ? -28.080 -5.256 44.515 1.00 65.29 ? 604 NAG A O4 1 HETATM 3723 O O5 . NAG F 3 . ? -27.155 -3.219 47.416 1.00 56.94 ? 604 NAG A O5 1 HETATM 3724 O O6 . NAG F 3 . ? -28.105 -1.733 45.087 1.00 62.28 ? 604 NAG A O6 1 HETATM 3725 O O7 . NAG F 3 . ? -28.900 -5.878 50.836 1.00 63.38 ? 604 NAG A O7 1 HETATM 3726 C C1 . NAG G 3 . ? -10.978 20.377 93.418 1.00 61.80 ? 605 NAG A C1 1 HETATM 3727 C C2 . NAG G 3 . ? -12.297 21.097 93.660 1.00 62.94 ? 605 NAG A C2 1 HETATM 3728 C C3 . NAG G 3 . ? -13.216 20.392 94.674 1.00 61.33 ? 605 NAG A C3 1 HETATM 3729 C C4 . NAG G 3 . ? -13.428 18.919 94.356 1.00 67.50 ? 605 NAG A C4 1 HETATM 3730 C C5 . NAG G 3 . ? -12.079 18.263 94.106 1.00 70.79 ? 605 NAG A C5 1 HETATM 3731 C C6 . NAG G 3 . ? -12.264 16.793 93.687 1.00 67.72 ? 605 NAG A C6 1 HETATM 3732 C C7 . NAG G 3 . ? -12.382 23.493 93.205 1.00 79.10 ? 605 NAG A C7 1 HETATM 3733 C C8 . NAG G 3 . ? -12.036 24.866 93.711 1.00 80.38 ? 605 NAG A C8 1 HETATM 3734 N N2 . NAG G 3 . ? -12.019 22.480 94.005 1.00 68.81 ? 605 NAG A N2 1 HETATM 3735 O O3 . NAG G 3 . ? -14.522 20.931 94.536 1.00 55.17 ? 605 NAG A O3 1 HETATM 3736 O O4 . NAG G 3 . ? -14.153 18.225 95.401 1.00 71.24 ? 605 NAG A O4 1 HETATM 3737 O O5 . NAG G 3 . ? -11.338 19.001 93.106 1.00 67.29 ? 605 NAG A O5 1 HETATM 3738 O O6 . NAG G 3 . ? -10.995 16.153 93.464 1.00 69.36 ? 605 NAG A O6 1 HETATM 3739 O O7 . NAG G 3 . ? -12.971 23.346 92.135 1.00 77.91 ? 605 NAG A O7 1 HETATM 3740 C C1 . FUC H 4 . ? -10.358 15.656 94.670 1.00 66.79 ? 606 FUC A C1 1 HETATM 3741 C C2 . FUC H 4 . ? -9.146 14.808 94.252 1.00 64.98 ? 606 FUC A C2 1 HETATM 3742 C C3 . FUC H 4 . ? -8.039 15.708 93.691 1.00 63.02 ? 606 FUC A C3 1 HETATM 3743 C C4 . FUC H 4 . ? -7.663 16.798 94.689 1.00 67.78 ? 606 FUC A C4 1 HETATM 3744 C C5 . FUC H 4 . ? -8.883 17.585 95.173 1.00 70.06 ? 606 FUC A C5 1 HETATM 3745 C C6 . FUC H 4 . ? -8.488 18.547 96.306 1.00 74.47 ? 606 FUC A C6 1 HETATM 3746 O O2 . FUC H 4 . ? -9.522 13.835 93.272 1.00 62.58 ? 606 FUC A O2 1 HETATM 3747 O O3 . FUC H 4 . ? -6.866 14.943 93.443 1.00 59.08 ? 606 FUC A O3 1 HETATM 3748 O O4 . FUC H 4 . ? -7.021 16.151 95.798 1.00 68.24 ? 606 FUC A O4 1 HETATM 3749 O O5 . FUC H 4 . ? -9.939 16.685 95.605 1.00 68.04 ? 606 FUC A O5 1 HETATM 3750 C C1 . EDO I 5 . ? 2.754 13.698 47.669 1.00 36.91 ? 607 EDO A C1 1 HETATM 3751 O O1 . EDO I 5 . ? 2.071 12.469 47.970 1.00 31.03 ? 607 EDO A O1 1 HETATM 3752 C C2 . EDO I 5 . ? 4.064 13.371 46.969 1.00 42.23 ? 607 EDO A C2 1 HETATM 3753 O O2 . EDO I 5 . ? 4.936 12.645 47.808 1.00 44.96 ? 607 EDO A O2 1 HETATM 3754 C C1 . EDO J 5 . ? -16.095 15.486 57.787 1.00 48.58 ? 608 EDO A C1 1 HETATM 3755 O O1 . EDO J 5 . ? -16.535 14.233 57.137 1.00 42.11 ? 608 EDO A O1 1 HETATM 3756 C C2 . EDO J 5 . ? -16.693 16.833 57.479 1.00 48.63 ? 608 EDO A C2 1 HETATM 3757 O O2 . EDO J 5 . ? -16.144 17.455 56.301 1.00 34.25 ? 608 EDO A O2 1 HETATM 3758 C C1 . EDO K 5 . ? 5.956 7.992 66.082 1.00 33.00 ? 609 EDO A C1 1 HETATM 3759 O O1 . EDO K 5 . ? 7.365 8.321 66.344 1.00 33.13 ? 609 EDO A O1 1 HETATM 3760 C C2 . EDO K 5 . ? 5.042 8.910 66.918 1.00 35.53 ? 609 EDO A C2 1 HETATM 3761 O O2 . EDO K 5 . ? 5.116 10.281 66.397 1.00 34.18 ? 609 EDO A O2 1 HETATM 3762 C C1 . EDO L 5 . ? -5.710 6.116 80.492 1.00 48.24 ? 610 EDO A C1 1 HETATM 3763 O O1 . EDO L 5 . ? -6.043 4.706 80.634 1.00 48.06 ? 610 EDO A O1 1 HETATM 3764 C C2 . EDO L 5 . ? -4.218 6.358 80.582 1.00 40.40 ? 610 EDO A C2 1 HETATM 3765 O O2 . EDO L 5 . ? -3.564 6.259 81.888 1.00 34.07 ? 610 EDO A O2 1 HETATM 3766 C C1 . EDO M 5 . ? -1.475 -6.028 76.191 1.00 39.84 ? 611 EDO A C1 1 HETATM 3767 O O1 . EDO M 5 . ? -1.568 -7.338 75.630 1.00 35.48 ? 611 EDO A O1 1 HETATM 3768 C C2 . EDO M 5 . ? -0.637 -5.216 75.208 1.00 43.90 ? 611 EDO A C2 1 HETATM 3769 O O2 . EDO M 5 . ? -1.423 -4.644 74.189 1.00 32.85 ? 611 EDO A O2 1 HETATM 3770 C C1 . EDO N 5 . ? 10.656 6.727 65.952 1.00 47.02 ? 612 EDO A C1 1 HETATM 3771 O O1 . EDO N 5 . ? 11.195 5.800 66.877 1.00 35.38 ? 612 EDO A O1 1 HETATM 3772 C C2 . EDO N 5 . ? 11.503 6.698 64.676 1.00 54.26 ? 612 EDO A C2 1 HETATM 3773 O O2 . EDO N 5 . ? 10.684 6.760 63.494 1.00 58.51 ? 612 EDO A O2 1 HETATM 3774 C C1 . EDO O 5 . ? -20.267 13.934 61.208 1.00 55.66 ? 613 EDO A C1 1 HETATM 3775 O O1 . EDO O 5 . ? -18.849 13.828 61.376 1.00 58.17 ? 613 EDO A O1 1 HETATM 3776 C C2 . EDO O 5 . ? -20.617 15.364 60.844 1.00 56.43 ? 613 EDO A C2 1 HETATM 3777 O O2 . EDO O 5 . ? -20.137 15.560 59.522 1.00 56.73 ? 613 EDO A O2 1 HETATM 3778 C C1 . EDO P 5 . ? -1.985 32.809 68.544 1.00 61.65 ? 614 EDO A C1 1 HETATM 3779 O O1 . EDO P 5 . ? -3.284 33.132 68.013 1.00 65.21 ? 614 EDO A O1 1 HETATM 3780 C C2 . EDO P 5 . ? -1.460 31.637 67.734 1.00 59.80 ? 614 EDO A C2 1 HETATM 3781 O O2 . EDO P 5 . ? -0.075 31.778 67.340 1.00 57.24 ? 614 EDO A O2 1 HETATM 3782 C C1 . EDO Q 5 . ? -7.970 -12.258 65.436 1.00 55.22 ? 615 EDO A C1 1 HETATM 3783 O O1 . EDO Q 5 . ? -7.563 -10.973 65.845 1.00 53.74 ? 615 EDO A O1 1 HETATM 3784 C C2 . EDO Q 5 . ? -9.320 -12.265 64.753 1.00 50.78 ? 615 EDO A C2 1 HETATM 3785 O O2 . EDO Q 5 . ? -9.612 -13.363 63.876 1.00 51.13 ? 615 EDO A O2 1 HETATM 3786 C C1 . EDO R 5 . ? -6.127 -6.117 38.134 0.50 34.21 ? 616 EDO A C1 1 HETATM 3787 O O1 . EDO R 5 . ? -6.835 -6.191 39.350 0.50 36.72 ? 616 EDO A O1 1 HETATM 3788 C C2 . EDO R 5 . ? -7.082 -5.690 37.052 0.50 35.86 ? 616 EDO A C2 1 HETATM 3789 O O2 . EDO R 5 . ? -7.015 -4.275 36.871 0.50 33.62 ? 616 EDO A O2 1 HETATM 3790 C C1 . EDO S 5 . ? -3.028 32.310 85.251 0.50 38.16 ? 617 EDO A C1 1 HETATM 3791 O O1 . EDO S 5 . ? -3.950 32.974 86.101 0.50 33.50 ? 617 EDO A O1 1 HETATM 3792 C C2 . EDO S 5 . ? -1.915 31.709 86.049 0.50 36.35 ? 617 EDO A C2 1 HETATM 3793 O O2 . EDO S 5 . ? -2.470 30.613 86.799 0.50 41.18 ? 617 EDO A O2 1 HETATM 3794 C C1 . EDO T 5 . ? -4.704 26.045 85.120 0.50 39.09 ? 618 EDO A C1 1 HETATM 3795 O O1 . EDO T 5 . ? -3.707 25.233 85.772 0.50 31.43 ? 618 EDO A O1 1 HETATM 3796 C C2 . EDO T 5 . ? -4.107 26.839 83.961 0.50 40.46 ? 618 EDO A C2 1 HETATM 3797 O O2 . EDO T 5 . ? -4.641 28.165 83.963 0.50 46.69 ? 618 EDO A O2 1 HETATM 3798 C C1 . EDO U 5 . ? -6.233 10.679 93.601 1.00 63.67 ? 619 EDO A C1 1 HETATM 3799 O O1 . EDO U 5 . ? -7.450 11.378 93.929 1.00 63.97 ? 619 EDO A O1 1 HETATM 3800 C C2 . EDO U 5 . ? -5.138 11.730 93.591 1.00 61.12 ? 619 EDO A C2 1 HETATM 3801 O O2 . EDO U 5 . ? -3.758 11.281 93.512 1.00 58.60 ? 619 EDO A O2 1 HETATM 3802 C C1 . EDO V 5 . ? -1.418 7.422 41.295 1.00 54.39 ? 620 EDO A C1 1 HETATM 3803 O O1 . EDO V 5 . ? -1.283 8.717 40.643 1.00 50.76 ? 620 EDO A O1 1 HETATM 3804 C C2 . EDO V 5 . ? -2.184 6.427 40.376 1.00 54.88 ? 620 EDO A C2 1 HETATM 3805 O O2 . EDO V 5 . ? -2.490 7.076 39.113 1.00 52.19 ? 620 EDO A O2 1 HETATM 3806 CL CL . CL W 6 . ? -18.022 10.162 63.438 1.00 57.82 ? 621 CL A CL 1 HETATM 3807 CL CL . CL X 6 . ? -12.148 24.065 55.235 1.00 33.85 ? 622 CL A CL 1 HETATM 3808 CL CL . CL Y 6 . ? -24.976 -1.673 55.167 1.00 41.80 ? 623 CL A CL 1 HETATM 3809 C C1 . EDO Z 5 . ? 8.126 26.513 49.240 1.00 68.70 ? 101 EDO B C1 1 HETATM 3810 O O1 . EDO Z 5 . ? 7.671 25.170 49.362 1.00 63.23 ? 101 EDO B O1 1 HETATM 3811 C C2 . EDO Z 5 . ? 7.288 27.387 50.155 1.00 70.29 ? 101 EDO B C2 1 HETATM 3812 O O2 . EDO Z 5 . ? 8.103 28.390 50.751 1.00 77.44 ? 101 EDO B O2 1 HETATM 3813 O O . HOH AA 7 . ? -22.418 8.349 28.400 1.00 60.78 ? 701 HOH A O 1 HETATM 3814 O O . HOH AA 7 . ? -6.269 -5.700 63.068 1.00 46.14 ? 702 HOH A O 1 HETATM 3815 O O . HOH AA 7 . ? -16.269 25.787 64.312 1.00 50.04 ? 703 HOH A O 1 HETATM 3816 O O . HOH AA 7 . ? 7.884 11.288 65.752 1.00 43.06 ? 704 HOH A O 1 HETATM 3817 O O . HOH AA 7 . ? -14.646 -9.956 67.261 1.00 40.54 ? 705 HOH A O 1 HETATM 3818 O O . HOH AA 7 . ? -14.591 22.319 96.564 1.00 60.33 ? 706 HOH A O 1 HETATM 3819 O O . HOH AA 7 . ? -18.679 4.674 69.183 1.00 45.98 ? 707 HOH A O 1 HETATM 3820 O O . HOH AA 7 . ? -0.063 5.184 47.165 1.00 44.30 ? 708 HOH A O 1 HETATM 3821 O O . HOH AA 7 . ? -21.351 11.114 59.059 1.00 54.68 ? 709 HOH A O 1 HETATM 3822 O O . HOH AA 7 . ? -9.334 26.333 39.115 1.00 51.19 ? 710 HOH A O 1 HETATM 3823 O O . HOH AA 7 . ? 8.313 8.889 64.103 1.00 49.94 ? 711 HOH A O 1 HETATM 3824 O O . HOH AA 7 . ? 5.122 35.627 75.817 1.00 45.73 ? 712 HOH A O 1 HETATM 3825 O O . HOH AA 7 . ? 5.639 3.764 52.358 1.00 61.29 ? 713 HOH A O 1 HETATM 3826 O O . HOH AA 7 . ? 6.400 14.368 43.065 1.00 58.20 ? 714 HOH A O 1 HETATM 3827 O O . HOH AA 7 . ? -9.809 10.003 74.911 1.00 26.16 ? 715 HOH A O 1 HETATM 3828 O O . HOH AA 7 . ? -17.076 -5.142 41.473 1.00 55.30 ? 716 HOH A O 1 HETATM 3829 O O . HOH AA 7 . ? -28.213 -4.347 42.104 1.00 49.47 ? 717 HOH A O 1 HETATM 3830 O O . HOH AA 7 . ? -9.062 8.964 55.903 1.00 29.38 ? 718 HOH A O 1 HETATM 3831 O O . HOH AA 7 . ? -8.004 18.977 70.047 1.00 25.38 ? 719 HOH A O 1 HETATM 3832 O O . HOH AA 7 . ? -20.583 -8.114 52.478 1.00 36.27 ? 720 HOH A O 1 HETATM 3833 O O . HOH AA 7 . ? 15.599 2.677 89.976 1.00 51.87 ? 721 HOH A O 1 HETATM 3834 O O . HOH AA 7 . ? -9.136 29.739 65.648 1.00 30.42 ? 722 HOH A O 1 HETATM 3835 O O . HOH AA 7 . ? -20.492 12.062 29.343 1.00 70.98 ? 723 HOH A O 1 HETATM 3836 O O . HOH AA 7 . ? 5.595 12.040 54.742 1.00 33.97 ? 724 HOH A O 1 HETATM 3837 O O . HOH AA 7 . ? -7.165 27.689 59.390 1.00 30.14 ? 725 HOH A O 1 HETATM 3838 O O . HOH AA 7 . ? -2.508 3.873 82.190 1.00 28.97 ? 726 HOH A O 1 HETATM 3839 O O . HOH AA 7 . ? 11.382 25.929 76.774 1.00 41.07 ? 727 HOH A O 1 HETATM 3840 O O . HOH AA 7 . ? -4.959 6.648 84.281 1.00 33.95 ? 728 HOH A O 1 HETATM 3841 O O . HOH AA 7 . ? 3.582 9.955 48.815 1.00 43.60 ? 729 HOH A O 1 HETATM 3842 O O . HOH AA 7 . ? -24.674 7.391 60.259 1.00 42.43 ? 730 HOH A O 1 HETATM 3843 O O . HOH AA 7 . ? -25.537 13.635 44.574 1.00 57.08 ? 731 HOH A O 1 HETATM 3844 O O . HOH AA 7 . ? -9.912 20.615 68.767 1.00 28.23 ? 732 HOH A O 1 HETATM 3845 O O . HOH AA 7 . ? -14.248 15.963 96.780 1.00 55.93 ? 733 HOH A O 1 HETATM 3846 O O . HOH AA 7 . ? 9.364 17.292 43.605 1.00 75.29 ? 734 HOH A O 1 HETATM 3847 O O . HOH AA 7 . ? 7.546 14.992 95.677 1.00 59.55 ? 735 HOH A O 1 HETATM 3848 O O . HOH AA 7 . ? -0.804 19.410 95.009 1.00 36.80 ? 736 HOH A O 1 HETATM 3849 O O . HOH AA 7 . ? -15.015 22.020 59.186 1.00 55.96 ? 737 HOH A O 1 HETATM 3850 O O . HOH AA 7 . ? 3.295 -0.439 62.195 1.00 36.86 ? 738 HOH A O 1 HETATM 3851 O O . HOH AA 7 . ? 21.919 6.901 84.494 1.00 50.13 ? 739 HOH A O 1 HETATM 3852 O O . HOH AA 7 . ? -12.495 -1.098 37.392 1.00 35.74 ? 740 HOH A O 1 HETATM 3853 O O . HOH AA 7 . ? -18.053 19.353 56.378 1.00 52.23 ? 741 HOH A O 1 HETATM 3854 O O . HOH AA 7 . ? -24.933 4.496 52.274 1.00 38.60 ? 742 HOH A O 1 HETATM 3855 O O . HOH AA 7 . ? 11.720 22.762 66.264 1.00 47.30 ? 743 HOH A O 1 HETATM 3856 O O . HOH AA 7 . ? 8.686 22.640 85.897 1.00 47.72 ? 744 HOH A O 1 HETATM 3857 O O . HOH AA 7 . ? 15.048 10.561 88.583 1.00 46.90 ? 745 HOH A O 1 HETATM 3858 O O . HOH AA 7 . ? -9.512 22.336 55.501 1.00 29.85 ? 746 HOH A O 1 HETATM 3859 O O . HOH AA 7 . ? -7.477 32.053 66.009 1.00 41.43 ? 747 HOH A O 1 HETATM 3860 O O . HOH AA 7 . ? -11.775 14.210 48.741 1.00 30.98 ? 748 HOH A O 1 HETATM 3861 O O . HOH AA 7 . ? -18.811 17.032 80.877 1.00 41.34 ? 749 HOH A O 1 HETATM 3862 O O . HOH AA 7 . ? 1.658 6.328 43.550 1.00 60.81 ? 750 HOH A O 1 HETATM 3863 O O . HOH AA 7 . ? 10.499 15.175 94.959 1.00 56.83 ? 751 HOH A O 1 HETATM 3864 O O . HOH AA 7 . ? -6.355 3.198 35.257 1.00 46.87 ? 752 HOH A O 1 HETATM 3865 O O . HOH AA 7 . ? -3.145 22.313 72.989 1.00 31.76 ? 753 HOH A O 1 HETATM 3866 O O . HOH AA 7 . ? -3.796 -1.344 63.262 1.00 27.86 ? 754 HOH A O 1 HETATM 3867 O O . HOH AA 7 . ? -15.770 8.418 39.029 1.00 42.41 ? 755 HOH A O 1 HETATM 3868 O O . HOH AA 7 . ? -2.309 21.001 33.991 1.00 56.38 ? 756 HOH A O 1 HETATM 3869 O O . HOH AA 7 . ? 15.852 -3.641 79.095 1.00 44.89 ? 757 HOH A O 1 HETATM 3870 O O . HOH AA 7 . ? -10.675 15.442 56.297 1.00 32.74 ? 758 HOH A O 1 HETATM 3871 O O . HOH AA 7 . ? -9.788 18.533 75.512 1.00 26.56 ? 759 HOH A O 1 HETATM 3872 O O . HOH AA 7 . ? -0.037 28.902 69.828 1.00 28.65 ? 760 HOH A O 1 HETATM 3873 O O . HOH AA 7 . ? 17.241 22.483 85.055 1.00 63.08 ? 761 HOH A O 1 HETATM 3874 O O . HOH AA 7 . ? -6.043 32.953 83.665 1.00 35.44 ? 762 HOH A O 1 HETATM 3875 O O . HOH AA 7 . ? -6.829 23.434 67.601 1.00 28.32 ? 763 HOH A O 1 HETATM 3876 O O . HOH AA 7 . ? 20.050 10.241 76.715 1.00 39.51 ? 764 HOH A O 1 HETATM 3877 O O . HOH AA 7 . ? -24.052 -3.763 63.950 1.00 43.71 ? 765 HOH A O 1 HETATM 3878 O O . HOH AA 7 . ? -13.213 8.361 31.853 1.00 40.76 ? 766 HOH A O 1 HETATM 3879 O O . HOH AA 7 . ? 19.294 4.602 77.049 1.00 38.10 ? 767 HOH A O 1 HETATM 3880 O O . HOH AA 7 . ? -26.449 -0.578 47.697 1.00 46.07 ? 768 HOH A O 1 HETATM 3881 O O . HOH AA 7 . ? -16.781 5.193 51.550 1.00 29.35 ? 769 HOH A O 1 HETATM 3882 O O . HOH AA 7 . ? -13.693 13.840 42.809 1.00 34.87 ? 770 HOH A O 1 HETATM 3883 O O . HOH AA 7 . ? -35.361 9.064 51.622 1.00 66.44 ? 771 HOH A O 1 HETATM 3884 O O . HOH AA 7 . ? -15.063 18.327 83.602 1.00 48.45 ? 772 HOH A O 1 HETATM 3885 O O . HOH AA 7 . ? -10.215 -12.133 67.602 1.00 37.77 ? 773 HOH A O 1 HETATM 3886 O O . HOH AA 7 . ? -24.288 9.799 39.223 1.00 51.23 ? 774 HOH A O 1 HETATM 3887 O O . HOH AA 7 . ? 20.234 9.056 83.362 1.00 45.99 ? 775 HOH A O 1 HETATM 3888 O O . HOH AA 7 . ? -10.965 31.032 63.940 1.00 43.48 ? 776 HOH A O 1 HETATM 3889 O O . HOH AA 7 . ? -18.054 8.945 36.918 1.00 38.52 ? 777 HOH A O 1 HETATM 3890 O O . HOH AA 7 . ? -8.112 32.810 73.210 1.00 39.68 ? 778 HOH A O 1 HETATM 3891 O O . HOH AA 7 . ? 13.695 12.917 88.016 1.00 51.98 ? 779 HOH A O 1 HETATM 3892 O O . HOH AA 7 . ? -18.700 -1.357 41.414 1.00 44.93 ? 780 HOH A O 1 HETATM 3893 O O . HOH AA 7 . ? -3.172 -3.871 56.550 1.00 30.67 ? 781 HOH A O 1 HETATM 3894 O O . HOH AA 7 . ? -2.216 24.803 83.071 1.00 41.50 ? 782 HOH A O 1 HETATM 3895 O O . HOH AA 7 . ? -25.355 7.137 33.826 1.00 60.10 ? 783 HOH A O 1 HETATM 3896 O O . HOH AA 7 . ? -1.210 0.106 55.291 1.00 37.27 ? 784 HOH A O 1 HETATM 3897 O O . HOH AA 7 . ? -15.045 9.351 41.684 1.00 33.14 ? 785 HOH A O 1 HETATM 3898 O O . HOH AA 7 . ? 13.136 14.252 67.054 1.00 48.19 ? 786 HOH A O 1 HETATM 3899 O O . HOH AA 7 . ? -16.412 18.194 61.146 1.00 33.65 ? 787 HOH A O 1 HETATM 3900 O O . HOH AA 7 . ? 14.472 4.777 72.426 1.00 36.68 ? 788 HOH A O 1 HETATM 3901 O O . HOH AA 7 . ? 6.010 14.194 49.922 1.00 36.76 ? 789 HOH A O 1 HETATM 3902 O O . HOH AA 7 . ? 21.739 11.233 74.818 1.00 59.90 ? 790 HOH A O 1 HETATM 3903 O O . HOH AA 7 . ? 9.412 2.127 63.378 1.00 42.42 ? 791 HOH A O 1 HETATM 3904 O O . HOH AA 7 . ? -10.488 5.907 83.213 1.00 50.32 ? 792 HOH A O 1 HETATM 3905 O O . HOH AA 7 . ? -2.005 5.532 34.215 1.00 53.18 ? 793 HOH A O 1 HETATM 3906 O O . HOH AA 7 . ? -11.197 31.772 69.099 1.00 57.99 ? 794 HOH A O 1 HETATM 3907 O O . HOH AA 7 . ? -14.102 11.777 40.957 1.00 41.16 ? 795 HOH A O 1 HETATM 3908 O O . HOH AA 7 . ? 1.269 21.287 95.139 1.00 51.79 ? 796 HOH A O 1 HETATM 3909 O O . HOH AA 7 . ? -27.886 8.487 56.321 1.00 41.59 ? 797 HOH A O 1 HETATM 3910 O O . HOH AA 7 . ? -10.680 18.233 88.348 1.00 39.84 ? 798 HOH A O 1 HETATM 3911 O O . HOH AA 7 . ? -12.206 -8.147 49.023 1.00 41.10 ? 799 HOH A O 1 HETATM 3912 O O . HOH AA 7 . ? -0.933 1.233 67.824 1.00 22.30 ? 800 HOH A O 1 HETATM 3913 O O . HOH AA 7 . ? 14.163 17.284 71.958 1.00 42.74 ? 801 HOH A O 1 HETATM 3914 O O . HOH AA 7 . ? -12.385 9.820 51.795 1.00 34.56 ? 802 HOH A O 1 HETATM 3915 O O . HOH AA 7 . ? -3.349 4.296 84.843 1.00 36.16 ? 803 HOH A O 1 HETATM 3916 O O . HOH AA 7 . ? -25.252 17.887 70.667 1.00 44.13 ? 804 HOH A O 1 HETATM 3917 O O . HOH AA 7 . ? 0.529 9.020 49.673 1.00 39.38 ? 805 HOH A O 1 HETATM 3918 O O . HOH AA 7 . ? 9.538 29.944 71.118 1.00 36.30 ? 806 HOH A O 1 HETATM 3919 O O . HOH AA 7 . ? -0.216 22.973 73.569 1.00 35.08 ? 807 HOH A O 1 HETATM 3920 O O . HOH AA 7 . ? 16.063 13.733 86.662 1.00 43.90 ? 808 HOH A O 1 HETATM 3921 O O . HOH AA 7 . ? 14.434 19.147 89.587 1.00 47.35 ? 809 HOH A O 1 HETATM 3922 O O . HOH AA 7 . ? -12.826 5.819 51.781 1.00 24.18 ? 810 HOH A O 1 HETATM 3923 O O . HOH AA 7 . ? 13.966 21.346 69.095 1.00 44.75 ? 811 HOH A O 1 HETATM 3924 O O . HOH AA 7 . ? 1.895 29.920 71.485 1.00 26.72 ? 812 HOH A O 1 HETATM 3925 O O . HOH AA 7 . ? -17.633 2.459 36.147 1.00 43.40 ? 813 HOH A O 1 HETATM 3926 O O . HOH AA 7 . ? -4.257 34.220 76.912 1.00 25.95 ? 814 HOH A O 1 HETATM 3927 O O . HOH AA 7 . ? -6.021 2.760 82.736 1.00 39.34 ? 815 HOH A O 1 HETATM 3928 O O . HOH AA 7 . ? -0.235 1.750 53.675 1.00 40.00 ? 816 HOH A O 1 HETATM 3929 O O . HOH AA 7 . ? -23.088 -6.645 58.281 1.00 44.35 ? 817 HOH A O 1 HETATM 3930 O O . HOH AA 7 . ? 8.395 33.518 76.925 1.00 52.22 ? 818 HOH A O 1 HETATM 3931 O O . HOH AA 7 . ? 7.732 12.904 46.034 1.00 61.25 ? 819 HOH A O 1 HETATM 3932 O O . HOH AA 7 . ? 1.353 3.770 76.374 1.00 22.12 ? 820 HOH A O 1 HETATM 3933 O O . HOH AA 7 . ? -22.770 20.349 64.265 1.00 54.52 ? 821 HOH A O 1 HETATM 3934 O O . HOH AA 7 . ? 0.563 5.116 74.179 1.00 20.88 ? 822 HOH A O 1 HETATM 3935 O O . HOH AA 7 . ? -24.743 -5.139 52.515 1.00 39.67 ? 823 HOH A O 1 HETATM 3936 O O . HOH AA 7 . ? -29.420 -2.931 50.957 1.00 57.99 ? 824 HOH A O 1 HETATM 3937 O O . HOH AA 7 . ? -11.880 -5.186 70.642 1.00 47.37 ? 825 HOH A O 1 HETATM 3938 O O . HOH AA 7 . ? 10.738 3.767 68.884 1.00 33.07 ? 826 HOH A O 1 HETATM 3939 O O . HOH AA 7 . ? -2.745 -0.744 43.599 1.00 40.80 ? 827 HOH A O 1 HETATM 3940 O O . HOH AA 7 . ? 10.748 31.770 69.138 1.00 40.78 ? 828 HOH A O 1 HETATM 3941 O O . HOH AA 7 . ? -0.589 28.824 82.757 1.00 36.40 ? 829 HOH A O 1 HETATM 3942 O O . HOH AA 7 . ? 4.367 25.597 85.743 1.00 36.56 ? 830 HOH A O 1 HETATM 3943 O O . HOH AA 7 . ? 3.027 2.327 41.894 1.00 46.56 ? 831 HOH A O 1 HETATM 3944 O O . HOH AA 7 . ? 11.536 28.158 72.013 1.00 39.71 ? 832 HOH A O 1 HETATM 3945 O O . HOH AA 7 . ? -6.266 9.964 89.052 1.00 41.98 ? 833 HOH A O 1 HETATM 3946 O O . HOH AA 7 . ? -5.276 24.309 69.908 1.00 26.15 ? 834 HOH A O 1 HETATM 3947 O O . HOH AA 7 . ? -17.538 0.189 39.587 1.00 52.42 ? 835 HOH A O 1 HETATM 3948 O O . HOH AA 7 . ? -8.929 5.064 81.055 1.00 47.21 ? 836 HOH A O 1 HETATM 3949 O O . HOH AA 7 . ? -22.108 22.092 48.823 1.00 62.91 ? 837 HOH A O 1 HETATM 3950 O O . HOH AA 7 . ? 2.573 30.480 68.227 1.00 30.88 ? 838 HOH A O 1 HETATM 3951 O O . HOH AA 7 . ? 15.344 27.880 65.469 1.00 60.86 ? 839 HOH A O 1 HETATM 3952 O O . HOH AA 7 . ? -33.085 10.738 53.033 1.00 54.53 ? 840 HOH A O 1 HETATM 3953 O O . HOH AA 7 . ? 4.041 31.621 65.790 1.00 34.08 ? 841 HOH A O 1 HETATM 3954 O O . HOH AA 7 . ? -27.189 2.970 64.387 1.00 39.38 ? 842 HOH A O 1 HETATM 3955 O O . HOH AA 7 . ? 11.407 26.143 73.986 1.00 44.92 ? 843 HOH A O 1 HETATM 3956 O O . HOH AA 7 . ? 18.571 5.999 95.176 1.00 64.38 ? 844 HOH A O 1 HETATM 3957 O O . HOH AA 7 . ? -9.655 17.666 91.027 1.00 38.10 ? 845 HOH A O 1 HETATM 3958 O O . HOH AA 7 . ? -4.767 5.768 35.100 1.00 52.90 ? 846 HOH A O 1 HETATM 3959 O O . HOH AA 7 . ? 9.632 0.164 91.650 1.00 51.42 ? 847 HOH A O 1 HETATM 3960 O O . HOH AA 7 . ? 10.756 9.664 90.133 1.00 40.80 ? 848 HOH A O 1 HETATM 3961 O O . HOH AA 7 . ? 5.201 26.084 80.615 1.00 29.17 ? 849 HOH A O 1 HETATM 3962 O O . HOH AA 7 . ? -12.302 22.976 58.174 1.00 33.32 ? 850 HOH A O 1 HETATM 3963 O O . HOH AA 7 . ? -21.198 11.758 53.928 1.00 40.21 ? 851 HOH A O 1 HETATM 3964 O O . HOH AA 7 . ? -9.194 14.562 69.627 1.00 28.13 ? 852 HOH A O 1 HETATM 3965 O O . HOH AA 7 . ? -18.815 3.244 71.799 1.00 49.73 ? 853 HOH A O 1 HETATM 3966 O O . HOH AA 7 . ? -11.419 24.589 85.658 1.00 53.93 ? 854 HOH A O 1 HETATM 3967 O O . HOH AA 7 . ? 9.682 -0.534 85.804 1.00 41.04 ? 855 HOH A O 1 HETATM 3968 O O . HOH AA 7 . ? 8.987 36.227 58.331 1.00 55.99 ? 856 HOH A O 1 HETATM 3969 O O . HOH AA 7 . ? 2.898 33.066 63.750 1.00 54.49 ? 857 HOH A O 1 HETATM 3970 O O . HOH AA 7 . ? -18.262 24.410 40.768 1.00 48.09 ? 858 HOH A O 1 HETATM 3971 O O . HOH AA 7 . ? -5.234 33.900 73.767 1.00 29.97 ? 859 HOH A O 1 HETATM 3972 O O . HOH AA 7 . ? 0.036 3.468 78.903 1.00 23.29 ? 860 HOH A O 1 HETATM 3973 O O . HOH AA 7 . ? -26.660 5.826 54.099 1.00 43.08 ? 861 HOH A O 1 HETATM 3974 O O . HOH AA 7 . ? -11.405 24.670 40.730 1.00 45.30 ? 862 HOH A O 1 HETATM 3975 O O . HOH AA 7 . ? 16.705 -0.737 82.238 1.00 59.65 ? 863 HOH A O 1 HETATM 3976 O O . HOH AA 7 . ? -20.485 9.486 61.037 1.00 54.07 ? 864 HOH A O 1 HETATM 3977 O O . HOH AA 7 . ? 6.396 -2.584 40.312 1.00 62.59 ? 865 HOH A O 1 HETATM 3978 O O . HOH AA 7 . ? -3.741 32.350 82.503 1.00 32.07 ? 866 HOH A O 1 HETATM 3979 O O . HOH AA 7 . ? 13.741 25.425 79.549 1.00 63.95 ? 867 HOH A O 1 HETATM 3980 O O . HOH AA 7 . ? 9.393 18.464 88.148 1.00 32.20 ? 868 HOH A O 1 HETATM 3981 O O . HOH AA 7 . ? 8.817 23.896 83.494 1.00 57.10 ? 869 HOH A O 1 HETATM 3982 O O . HOH AA 7 . ? -9.027 10.021 89.321 1.00 36.44 ? 870 HOH A O 1 HETATM 3983 O O . HOH AA 7 . ? -8.367 16.835 68.401 1.00 26.50 ? 871 HOH A O 1 HETATM 3984 O O . HOH AA 7 . ? -18.006 -12.963 61.319 1.00 62.17 ? 872 HOH A O 1 HETATM 3985 O O . HOH AA 7 . ? 5.458 21.468 88.488 1.00 48.97 ? 873 HOH A O 1 HETATM 3986 O O . HOH AA 7 . ? -12.851 -6.285 72.787 1.00 53.60 ? 874 HOH A O 1 HETATM 3987 O O . HOH AA 7 . ? -3.984 -5.018 49.854 1.00 58.18 ? 875 HOH A O 1 HETATM 3988 O O . HOH AA 7 . ? -5.278 -4.492 68.677 1.00 48.86 ? 876 HOH A O 1 HETATM 3989 O O . HOH AA 7 . ? -16.814 12.445 33.998 1.00 53.17 ? 877 HOH A O 1 HETATM 3990 O O . HOH AA 7 . ? 19.812 18.740 87.623 1.00 71.47 ? 878 HOH A O 1 HETATM 3991 O O . HOH AA 7 . ? 22.218 9.367 78.755 1.00 50.60 ? 879 HOH A O 1 HETATM 3992 O O . HOH AA 7 . ? -4.269 -4.317 63.784 1.00 44.43 ? 880 HOH A O 1 HETATM 3993 O O . HOH AA 7 . ? -21.521 15.615 76.732 1.00 65.40 ? 881 HOH A O 1 HETATM 3994 O O . HOH AA 7 . ? -7.144 -9.334 53.497 1.00 46.77 ? 882 HOH A O 1 HETATM 3995 O O . HOH AA 7 . ? 6.169 25.480 83.160 1.00 44.25 ? 883 HOH A O 1 HETATM 3996 O O . HOH AA 7 . ? -21.532 -8.780 57.086 1.00 44.98 ? 884 HOH A O 1 HETATM 3997 O O . HOH AA 7 . ? 14.343 16.846 67.504 1.00 53.92 ? 885 HOH A O 1 HETATM 3998 O O . HOH AA 7 . ? 10.735 11.307 94.976 1.00 62.62 ? 886 HOH A O 1 HETATM 3999 O O . HOH AA 7 . ? -8.589 23.930 94.415 1.00 66.59 ? 887 HOH A O 1 HETATM 4000 O O . HOH AA 7 . ? -12.186 -13.982 59.252 1.00 53.31 ? 888 HOH A O 1 HETATM 4001 O O . HOH AA 7 . ? -24.042 -6.093 46.632 1.00 64.05 ? 889 HOH A O 1 HETATM 4002 O O . HOH AA 7 . ? -9.848 28.782 55.551 1.00 50.62 ? 890 HOH A O 1 HETATM 4003 O O . HOH AA 7 . ? -6.307 -8.898 56.221 1.00 47.79 ? 891 HOH A O 1 HETATM 4004 O O . HOH AA 7 . ? 10.250 18.111 54.715 1.00 62.70 ? 892 HOH A O 1 HETATM 4005 O O . HOH AA 7 . ? -3.890 -8.092 56.393 1.00 60.41 ? 893 HOH A O 1 HETATM 4006 O O . HOH AA 7 . ? -20.369 10.472 79.227 1.00 54.14 ? 894 HOH A O 1 HETATM 4007 O O . HOH AA 7 . ? -12.584 32.449 65.095 1.00 50.67 ? 895 HOH A O 1 HETATM 4008 O O . HOH AA 7 . ? -14.665 1.858 78.361 1.00 51.96 ? 896 HOH A O 1 HETATM 4009 O O . HOH AA 7 . ? -0.958 -9.735 61.115 1.00 58.37 ? 897 HOH A O 1 HETATM 4010 O O . HOH AA 7 . ? 10.870 9.838 44.339 1.00 58.39 ? 898 HOH A O 1 HETATM 4011 O O . HOH AA 7 . ? 1.408 38.306 77.184 1.00 54.61 ? 899 HOH A O 1 HETATM 4012 O O . HOH AA 7 . ? -22.226 -9.292 54.514 1.00 46.70 ? 900 HOH A O 1 HETATM 4013 O O . HOH AA 7 . ? 22.002 -4.538 88.212 1.00 53.17 ? 901 HOH A O 1 HETATM 4014 O O . HOH AA 7 . ? -32.961 -5.317 43.925 1.00 57.05 ? 902 HOH A O 1 HETATM 4015 O O . HOH BA 7 . ? 0.380 32.375 48.719 1.00 47.44 ? 201 HOH B O 1 HETATM 4016 O O . HOH BA 7 . ? 8.003 27.791 53.201 1.00 52.75 ? 202 HOH B O 1 HETATM 4017 O O . HOH BA 7 . ? -16.604 19.072 53.496 1.00 35.25 ? 203 HOH B O 1 HETATM 4018 O O . HOH BA 7 . ? 0.303 -5.956 72.245 1.00 35.50 ? 204 HOH B O 1 HETATM 4019 O O . HOH BA 7 . ? 0.232 -2.126 90.692 1.00 42.24 ? 205 HOH B O 1 HETATM 4020 O O . HOH BA 7 . ? 3.276 4.105 57.527 1.00 47.92 ? 206 HOH B O 1 HETATM 4021 O O . HOH BA 7 . ? 6.032 7.350 57.385 1.00 33.01 ? 207 HOH B O 1 HETATM 4022 O O . HOH BA 7 . ? 2.270 33.429 54.047 1.00 46.59 ? 208 HOH B O 1 HETATM 4023 O O . HOH BA 7 . ? 3.463 9.857 100.005 1.00 64.05 ? 209 HOH B O 1 HETATM 4024 O O . HOH BA 7 . ? -19.507 12.685 52.059 1.00 31.19 ? 210 HOH B O 1 HETATM 4025 O O . HOH BA 7 . ? 3.163 9.299 55.486 1.00 29.65 ? 211 HOH B O 1 HETATM 4026 O O . HOH BA 7 . ? 6.273 -0.767 89.508 1.00 42.63 ? 212 HOH B O 1 HETATM 4027 O O . HOH BA 7 . ? -12.158 28.820 53.758 1.00 47.47 ? 213 HOH B O 1 HETATM 4028 O O . HOH BA 7 . ? -10.203 27.726 44.162 1.00 44.29 ? 214 HOH B O 1 HETATM 4029 O O . HOH BA 7 . ? 6.858 1.959 62.403 1.00 31.43 ? 215 HOH B O 1 HETATM 4030 O O . HOH BA 7 . ? 13.298 -4.117 77.470 1.00 38.37 ? 216 HOH B O 1 HETATM 4031 O O . HOH BA 7 . ? -8.818 21.646 34.744 1.00 42.69 ? 217 HOH B O 1 HETATM 4032 O O . HOH BA 7 . ? 9.783 -2.083 83.508 1.00 46.20 ? 218 HOH B O 1 HETATM 4033 O O . HOH BA 7 . ? 0.242 24.918 46.808 1.00 43.10 ? 219 HOH B O 1 HETATM 4034 O O . HOH BA 7 . ? -21.783 13.815 43.773 1.00 43.38 ? 220 HOH B O 1 HETATM 4035 O O . HOH BA 7 . ? -13.752 13.818 45.487 1.00 31.86 ? 221 HOH B O 1 HETATM 4036 O O . HOH BA 7 . ? -3.540 -3.773 72.653 1.00 33.82 ? 222 HOH B O 1 HETATM 4037 O O . HOH BA 7 . ? -19.291 23.853 49.530 1.00 51.02 ? 223 HOH B O 1 HETATM 4038 O O . HOH BA 7 . ? 0.047 0.059 65.550 1.00 31.59 ? 224 HOH B O 1 HETATM 4039 O O . HOH BA 7 . ? 9.865 17.435 60.014 1.00 47.79 ? 225 HOH B O 1 HETATM 4040 O O . HOH BA 7 . ? 6.731 -7.432 70.992 1.00 50.41 ? 226 HOH B O 1 HETATM 4041 O O . HOH BA 7 . ? -0.498 27.313 45.601 1.00 38.05 ? 227 HOH B O 1 HETATM 4042 O O . HOH BA 7 . ? 4.114 10.778 63.681 1.00 25.23 ? 228 HOH B O 1 HETATM 4043 O O . HOH BA 7 . ? 6.605 3.780 91.165 1.00 46.99 ? 229 HOH B O 1 HETATM 4044 O O . HOH BA 7 . ? 13.481 -6.941 77.216 1.00 47.01 ? 230 HOH B O 1 HETATM 4045 O O . HOH BA 7 . ? 9.843 23.630 59.065 1.00 35.67 ? 231 HOH B O 1 HETATM 4046 O O . HOH BA 7 . ? 10.559 13.535 56.560 1.00 53.98 ? 232 HOH B O 1 HETATM 4047 O O . HOH BA 7 . ? -20.177 13.307 56.014 1.00 37.12 ? 233 HOH B O 1 HETATM 4048 O O . HOH BA 7 . ? 8.508 -4.619 82.147 1.00 38.77 ? 234 HOH B O 1 HETATM 4049 O O . HOH BA 7 . ? 7.133 -0.945 86.962 1.00 33.66 ? 235 HOH B O 1 HETATM 4050 O O . HOH BA 7 . ? 3.458 -7.220 71.730 1.00 64.26 ? 236 HOH B O 1 HETATM 4051 O O . HOH BA 7 . ? 1.901 -3.254 65.923 1.00 37.91 ? 237 HOH B O 1 HETATM 4052 O O . HOH BA 7 . ? -15.160 24.075 55.285 1.00 53.22 ? 238 HOH B O 1 HETATM 4053 O O . HOH BA 7 . ? -6.776 24.234 35.557 1.00 49.67 ? 239 HOH B O 1 HETATM 4054 O O . HOH BA 7 . ? -9.810 32.676 52.228 1.00 53.19 ? 240 HOH B O 1 HETATM 4055 O O . HOH BA 7 . ? 11.279 -5.420 81.453 1.00 54.97 ? 241 HOH B O 1 HETATM 4056 O O . HOH BA 7 . ? 10.653 21.195 59.799 1.00 50.46 ? 242 HOH B O 1 HETATM 4057 O O . HOH BA 7 . ? -16.446 25.836 43.911 1.00 51.29 ? 243 HOH B O 1 HETATM 4058 O O . HOH BA 7 . ? 5.702 0.306 61.044 1.00 45.06 ? 244 HOH B O 1 HETATM 4059 O O . HOH BA 7 . ? -13.461 26.441 53.871 1.00 55.19 ? 245 HOH B O 1 HETATM 4060 O O . HOH BA 7 . ? 8.539 7.612 56.980 1.00 41.34 ? 246 HOH B O 1 HETATM 4061 O O . HOH BA 7 . ? -19.625 30.047 39.678 1.00 55.41 ? 247 HOH B O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ASP 1 155 ? ? ? A . n A 1 2 PRO 2 156 ? ? ? A . n A 1 3 GLY 3 157 ? ? ? A . n A 1 4 LYS 4 158 ? ? ? A . n A 1 5 LYS 5 159 159 LYS LYS A . n A 1 6 PHE 6 160 160 PHE PHE A . n A 1 7 LYS 7 161 161 LYS LYS A . n A 1 8 ASN 8 162 162 ASN ASN A . n A 1 9 SER 9 163 163 SER SER A . n A 1 10 THR 10 164 164 THR THR A . n A 1 11 TYR 11 165 165 TYR TYR A . n A 1 12 SER 12 166 166 SER SER A . n A 1 13 ARG 13 167 167 ARG ARG A . n A 1 14 SER 14 168 168 SER SER A . n A 1 15 SER 15 169 169 SER SER A . n A 1 16 VAL 16 170 170 VAL VAL A . n A 1 17 ASP 17 171 171 ASP ASP A . n A 1 18 VAL 18 172 172 VAL VAL A . n A 1 19 LEU 19 173 173 LEU LEU A . n A 1 20 TYR 20 174 174 TYR TYR A . n A 1 21 THR 21 175 175 THR THR A . n A 1 22 PHE 22 176 176 PHE PHE A . n A 1 23 ALA 23 177 177 ALA ALA A . n A 1 24 ASN 24 178 178 ASN ASN A . n A 1 25 CYS 25 179 179 CYS CYS A . n A 1 26 SER 26 180 180 SER SER A . n A 1 27 GLY 27 181 181 GLY GLY A . n A 1 28 LEU 28 182 182 LEU LEU A . n A 1 29 ASP 29 183 183 ASP ASP A . n A 1 30 LEU 30 184 184 LEU LEU A . n A 1 31 ILE 31 185 185 ILE ILE A . n A 1 32 PHE 32 186 186 PHE PHE A . n A 1 33 GLY 33 187 187 GLY GLY A . n A 1 34 LEU 34 188 188 LEU LEU A . n A 1 35 ASN 35 189 189 ASN ASN A . n A 1 36 ALA 36 190 190 ALA ALA A . n A 1 37 LEU 37 191 191 LEU LEU A . n A 1 38 LEU 38 192 192 LEU LEU A . n A 1 39 ARG 39 193 193 ARG ARG A . n A 1 40 THR 40 194 194 THR THR A . n A 1 41 ALA 41 195 195 ALA ALA A . n A 1 42 ASP 42 196 196 ASP ASP A . n A 1 43 LEU 43 197 197 LEU LEU A . n A 1 44 GLN 44 198 198 GLN GLN A . n A 1 45 TRP 45 199 199 TRP TRP A . n A 1 46 ASN 46 200 200 ASN ASN A . n A 1 47 SER 47 201 201 SER SER A . n A 1 48 SER 48 202 202 SER SER A . n A 1 49 ASN 49 203 203 ASN ASN A . n A 1 50 ALA 50 204 204 ALA ALA A . n A 1 51 GLN 51 205 205 GLN GLN A . n A 1 52 LEU 52 206 206 LEU LEU A . n A 1 53 LEU 53 207 207 LEU LEU A . n A 1 54 LEU 54 208 208 LEU LEU A . n A 1 55 ASP 55 209 209 ASP ASP A . n A 1 56 TYR 56 210 210 TYR TYR A . n A 1 57 CYS 57 211 211 CYS CYS A . n A 1 58 SER 58 212 212 SER SER A . n A 1 59 SER 59 213 213 SER SER A . n A 1 60 LYS 60 214 214 LYS LYS A . n A 1 61 GLY 61 215 215 GLY GLY A . n A 1 62 TYR 62 216 216 TYR TYR A . n A 1 63 ASN 63 217 217 ASN ASN A . n A 1 64 ILE 64 218 218 ILE ILE A . n A 1 65 SER 65 219 219 SER SER A . n A 1 66 TRP 66 220 220 TRP TRP A . n A 1 67 GLU 67 221 221 GLU GLU A . n A 1 68 LEU 68 222 222 LEU LEU A . n A 1 69 GLY 69 223 223 GLY GLY A . n A 1 70 ASN 70 224 224 ASN ASN A . n A 1 71 GLU 71 225 225 GLU GLU A . n A 1 72 PRO 72 226 226 PRO PRO A . n A 1 73 ASN 73 227 227 ASN ASN A . n A 1 74 SER 74 228 228 SER SER A . n A 1 75 PHE 75 229 229 PHE PHE A . n A 1 76 LEU 76 230 230 LEU LEU A . n A 1 77 LYS 77 231 231 LYS LYS A . n A 1 78 LYS 78 232 232 LYS LYS A . n A 1 79 ALA 79 233 233 ALA ALA A . n A 1 80 ASP 80 234 234 ASP ASP A . n A 1 81 ILE 81 235 235 ILE ILE A . n A 1 82 PHE 82 236 236 PHE PHE A . n A 1 83 ILE 83 237 237 ILE ILE A . n A 1 84 ASN 84 238 238 ASN ASN A . n A 1 85 GLY 85 239 239 GLY GLY A . n A 1 86 SER 86 240 240 SER SER A . n A 1 87 GLN 87 241 241 GLN GLN A . n A 1 88 LEU 88 242 242 LEU LEU A . n A 1 89 GLY 89 243 243 GLY GLY A . n A 1 90 GLU 90 244 244 GLU GLU A . n A 1 91 ASP 91 245 245 ASP ASP A . n A 1 92 PHE 92 246 246 PHE PHE A . n A 1 93 ILE 93 247 247 ILE ILE A . n A 1 94 GLN 94 248 248 GLN GLN A . n A 1 95 LEU 95 249 249 LEU LEU A . n A 1 96 HIS 96 250 250 HIS HIS A . n A 1 97 LYS 97 251 251 LYS LYS A . n A 1 98 LEU 98 252 252 LEU LEU A . n A 1 99 LEU 99 253 253 LEU LEU A . n A 1 100 ARG 100 254 254 ARG ARG A . n A 1 101 LYS 101 255 255 LYS LYS A . n A 1 102 SER 102 256 256 SER SER A . n A 1 103 THR 103 257 257 THR THR A . n A 1 104 PHE 104 258 258 PHE PHE A . n A 1 105 LYS 105 259 259 LYS LYS A . n A 1 106 ASN 106 260 260 ASN ASN A . n A 1 107 ALA 107 261 261 ALA ALA A . n A 1 108 LYS 108 262 262 LYS LYS A . n A 1 109 LEU 109 263 263 LEU LEU A . n A 1 110 TYR 110 264 264 TYR TYR A . n A 1 111 GLY 111 265 265 GLY GLY A . n A 1 112 PRO 112 266 266 PRO PRO A . n A 1 113 ASP 113 267 267 ASP ASP A . n A 1 114 VAL 114 268 268 VAL VAL A . n A 1 115 GLY 115 269 269 GLY GLY A . n A 1 116 GLN 116 270 270 GLN GLN A . n A 1 117 PRO 117 271 271 PRO PRO A . n A 1 118 ARG 118 272 272 ARG ARG A . n A 1 119 ARG 119 273 273 ARG ARG A . n A 1 120 LYS 120 274 274 LYS LYS A . n A 1 121 THR 121 275 275 THR THR A . n A 1 122 ALA 122 276 276 ALA ALA A . n A 1 123 LYS 123 277 277 LYS LYS A . n A 1 124 MET 124 278 278 MET MET A . n A 1 125 LEU 125 279 279 LEU LEU A . n A 1 126 LYS 126 280 280 LYS LYS A . n A 1 127 SER 127 281 281 SER SER A . n A 1 128 PHE 128 282 282 PHE PHE A . n A 1 129 LEU 129 283 283 LEU LEU A . n A 1 130 LYS 130 284 284 LYS LYS A . n A 1 131 ALA 131 285 285 ALA ALA A . n A 1 132 GLY 132 286 286 GLY GLY A . n A 1 133 GLY 133 287 287 GLY GLY A . n A 1 134 GLU 134 288 288 GLU GLU A . n A 1 135 VAL 135 289 289 VAL VAL A . n A 1 136 ILE 136 290 290 ILE ILE A . n A 1 137 ASP 137 291 291 ASP ASP A . n A 1 138 SER 138 292 292 SER SER A . n A 1 139 VAL 139 293 293 VAL VAL A . n A 1 140 THR 140 294 294 THR THR A . n A 1 141 TRP 141 295 295 TRP TRP A . n A 1 142 HIS 142 296 296 HIS HIS A . n A 1 143 HIS 143 297 297 HIS HIS A . n A 1 144 TYR 144 298 298 TYR TYR A . n A 1 145 TYR 145 299 299 TYR TYR A . n A 1 146 LEU 146 300 300 LEU LEU A . n A 1 147 ASN 147 301 301 ASN ASN A . n A 1 148 GLY 148 302 302 GLY GLY A . n A 1 149 ARG 149 303 303 ARG ARG A . n A 1 150 THR 150 304 304 THR THR A . n A 1 151 ALA 151 305 305 ALA ALA A . n A 1 152 THR 152 306 306 THR THR A . n A 1 153 ARG 153 307 307 ARG ARG A . n A 1 154 GLU 154 308 308 GLU GLU A . n A 1 155 ASP 155 309 309 ASP ASP A . n A 1 156 PHE 156 310 310 PHE PHE A . n A 1 157 LEU 157 311 311 LEU LEU A . n A 1 158 ASN 158 312 312 ASN ASN A . n A 1 159 PRO 159 313 313 PRO PRO A . n A 1 160 ASP 160 314 314 ASP ASP A . n A 1 161 VAL 161 315 315 VAL VAL A . n A 1 162 LEU 162 316 316 LEU LEU A . n A 1 163 ASP 163 317 317 ASP ASP A . n A 1 164 ILE 164 318 318 ILE ILE A . n A 1 165 PHE 165 319 319 PHE PHE A . n A 1 166 ILE 166 320 320 ILE ILE A . n A 1 167 SER 167 321 321 SER SER A . n A 1 168 SER 168 322 322 SER SER A . n A 1 169 VAL 169 323 323 VAL VAL A . n A 1 170 GLN 170 324 324 GLN GLN A . n A 1 171 LYS 171 325 325 LYS LYS A . n A 1 172 VAL 172 326 326 VAL VAL A . n A 1 173 PHE 173 327 327 PHE PHE A . n A 1 174 GLN 174 328 328 GLN GLN A . n A 1 175 VAL 175 329 329 VAL VAL A . n A 1 176 VAL 176 330 330 VAL VAL A . n A 1 177 GLU 177 331 331 GLU GLU A . n A 1 178 SER 178 332 332 SER SER A . n A 1 179 THR 179 333 333 THR THR A . n A 1 180 ARG 180 334 334 ARG ARG A . n A 1 181 PRO 181 335 335 PRO PRO A . n A 1 182 GLY 182 336 336 GLY GLY A . n A 1 183 LYS 183 337 337 LYS LYS A . n A 1 184 LYS 184 338 338 LYS LYS A . n A 1 185 VAL 185 339 339 VAL VAL A . n A 1 186 TRP 186 340 340 TRP TRP A . n A 1 187 LEU 187 341 341 LEU LEU A . n A 1 188 GLY 188 342 342 GLY GLY A . n A 1 189 GLU 189 343 343 GLU GLU A . n A 1 190 THR 190 344 344 THR THR A . n A 1 191 SER 191 345 345 SER SER A . n A 1 192 SER 192 346 346 SER SER A . n A 1 193 ALA 193 347 347 ALA ALA A . n A 1 194 TYR 194 348 348 TYR TYR A . n A 1 195 GLY 195 349 349 GLY GLY A . n A 1 196 GLY 196 350 350 GLY GLY A . n A 1 197 GLY 197 351 351 GLY GLY A . n A 1 198 ALA 198 352 352 ALA ALA A . n A 1 199 PRO 199 353 353 PRO PRO A . n A 1 200 LEU 200 354 354 LEU LEU A . n A 1 201 LEU 201 355 355 LEU LEU A . n A 1 202 SER 202 356 356 SER SER A . n A 1 203 ASP 203 357 357 ASP ASP A . n A 1 204 THR 204 358 358 THR THR A . n A 1 205 PHE 205 359 359 PHE PHE A . n A 1 206 ALA 206 360 360 ALA ALA A . n A 1 207 ALA 207 361 361 ALA ALA A . n A 1 208 GLY 208 362 362 GLY GLY A . n A 1 209 PHE 209 363 363 PHE PHE A . n A 1 210 MET 210 364 364 MET MET A . n A 1 211 TRP 211 365 365 TRP TRP A . n A 1 212 LEU 212 366 366 LEU LEU A . n A 1 213 ASP 213 367 367 ASP ASP A . n A 1 214 LYS 214 368 368 LYS LYS A . n A 1 215 LEU 215 369 369 LEU LEU A . n A 1 216 GLY 216 370 370 GLY GLY A . n A 1 217 LEU 217 371 371 LEU LEU A . n A 1 218 SER 218 372 372 SER SER A . n A 1 219 ALA 219 373 373 ALA ALA A . n A 1 220 ARG 220 374 374 ARG ARG A . n A 1 221 MET 221 375 375 MET MET A . n A 1 222 GLY 222 376 376 GLY GLY A . n A 1 223 ILE 223 377 377 ILE ILE A . n A 1 224 GLU 224 378 378 GLU GLU A . n A 1 225 VAL 225 379 379 VAL VAL A . n A 1 226 VAL 226 380 380 VAL VAL A . n A 1 227 MET 227 381 381 MET MET A . n A 1 228 ARG 228 382 382 ARG ARG A . n A 1 229 GLN 229 383 383 GLN GLN A . n A 1 230 VAL 230 384 384 VAL VAL A . n A 1 231 PHE 231 385 385 PHE PHE A . n A 1 232 PHE 232 386 386 PHE PHE A . n A 1 233 GLY 233 387 387 GLY GLY A . n A 1 234 ALA 234 388 388 ALA ALA A . n A 1 235 GLY 235 389 389 GLY GLY A . n A 1 236 ASN 236 390 390 ASN ASN A . n A 1 237 TYR 237 391 391 TYR TYR A . n A 1 238 HIS 238 392 392 HIS HIS A . n A 1 239 LEU 239 393 393 LEU LEU A . n A 1 240 VAL 240 394 394 VAL VAL A . n A 1 241 ASP 241 395 395 ASP ASP A . n A 1 242 GLU 242 396 396 GLU GLU A . n A 1 243 ASN 243 397 397 ASN ASN A . n A 1 244 PHE 244 398 398 PHE PHE A . n A 1 245 ASP 245 399 399 ASP ASP A . n A 1 246 PRO 246 400 400 PRO PRO A . n A 1 247 LEU 247 401 401 LEU LEU A . n A 1 248 PRO 248 402 402 PRO PRO A . n A 1 249 ASP 249 403 403 ASP ASP A . n A 1 250 TYR 250 404 404 TYR TYR A . n A 1 251 TRP 251 405 405 TRP TRP A . n A 1 252 LEU 252 406 406 LEU LEU A . n A 1 253 SER 253 407 407 SER SER A . n A 1 254 LEU 254 408 408 LEU LEU A . n A 1 255 LEU 255 409 409 LEU LEU A . n A 1 256 PHE 256 410 410 PHE PHE A . n A 1 257 LYS 257 411 411 LYS LYS A . n A 1 258 LYS 258 412 412 LYS LYS A . n A 1 259 LEU 259 413 413 LEU LEU A . n A 1 260 VAL 260 414 414 VAL VAL A . n A 1 261 GLY 261 415 415 GLY GLY A . n A 1 262 THR 262 416 416 THR THR A . n A 1 263 LYS 263 417 417 LYS LYS A . n A 1 264 VAL 264 418 418 VAL VAL A . n A 1 265 LEU 265 419 419 LEU LEU A . n A 1 266 MET 266 420 420 MET MET A . n A 1 267 ALA 267 421 421 ALA ALA A . n A 1 268 SER 268 422 422 SER SER A . n A 1 269 VAL 269 423 423 VAL VAL A . n A 1 270 GLN 270 424 424 GLN GLN A . n A 1 271 GLY 271 425 425 GLY GLY A . n A 1 272 SER 272 426 426 SER SER A . n A 1 273 LYS 273 427 427 LYS LYS A . n A 1 274 ARG 274 428 428 ARG ARG A . n A 1 275 ARG 275 429 429 ARG ARG A . n A 1 276 LYS 276 430 430 LYS LYS A . n A 1 277 LEU 277 431 431 LEU LEU A . n A 1 278 ARG 278 432 432 ARG ARG A . n A 1 279 VAL 279 433 433 VAL VAL A . n A 1 280 TYR 280 434 434 TYR TYR A . n A 1 281 LEU 281 435 435 LEU LEU A . n A 1 282 HIS 282 436 436 HIS HIS A . n A 1 283 CYS 283 437 437 CYS CYS A . n A 1 284 THR 284 438 438 THR THR A . n A 1 285 ASN 285 439 439 ASN ASN A . n A 1 286 THR 286 440 440 THR THR A . n A 1 287 ASP 287 441 441 ASP ASP A . n A 1 288 ASN 288 442 442 ASN ASN A . n A 1 289 PRO 289 443 443 PRO PRO A . n A 1 290 ARG 290 444 444 ARG ARG A . n A 1 291 TYR 291 445 445 TYR TYR A . n A 1 292 LYS 292 446 446 LYS LYS A . n A 1 293 GLU 293 447 447 GLU GLU A . n A 1 294 GLY 294 448 448 GLY GLY A . n A 1 295 ASP 295 449 449 ASP ASP A . n A 1 296 LEU 296 450 450 LEU LEU A . n A 1 297 THR 297 451 451 THR THR A . n A 1 298 LEU 298 452 452 LEU LEU A . n A 1 299 TYR 299 453 453 TYR TYR A . n A 1 300 ALA 300 454 454 ALA ALA A . n A 1 301 ILE 301 455 455 ILE ILE A . n A 1 302 ASN 302 456 456 ASN ASN A . n A 1 303 LEU 303 457 457 LEU LEU A . n A 1 304 HIS 304 458 458 HIS HIS A . n A 1 305 ASN 305 459 459 ASN ASN A . n A 1 306 VAL 306 460 460 VAL VAL A . n A 1 307 THR 307 461 461 THR THR A . n A 1 308 LYS 308 462 462 LYS LYS A . n A 1 309 TYR 309 463 463 TYR TYR A . n A 1 310 LEU 310 464 464 LEU LEU A . n A 1 311 ARG 311 465 465 ARG ARG A . n A 1 312 LEU 312 466 466 LEU LEU A . n A 1 313 PRO 313 467 467 PRO PRO A . n A 1 314 TYR 314 468 468 TYR TYR A . n A 1 315 PRO 315 469 469 PRO PRO A . n A 1 316 PHE 316 470 470 PHE PHE A . n A 1 317 SER 317 471 471 SER SER A . n A 1 318 ASN 318 472 472 ASN ASN A . n A 1 319 LYS 319 473 473 LYS LYS A . n A 1 320 GLN 320 474 474 GLN GLN A . n A 1 321 VAL 321 475 475 VAL VAL A . n A 1 322 ASP 322 476 476 ASP ASP A . n A 1 323 LYS 323 477 477 LYS LYS A . n A 1 324 TYR 324 478 478 TYR TYR A . n A 1 325 LEU 325 479 479 LEU LEU A . n A 1 326 LEU 326 480 480 LEU LEU A . n A 1 327 ARG 327 481 481 ARG ARG A . n A 1 328 PRO 328 482 482 PRO PRO A . n A 1 329 LEU 329 483 483 LEU LEU A . n A 1 330 GLY 330 484 484 GLY GLY A . n A 1 331 PRO 331 485 485 PRO PRO A . n A 1 332 HIS 332 486 486 HIS HIS A . n A 1 333 GLY 333 487 487 GLY GLY A . n A 1 334 LEU 334 488 488 LEU LEU A . n A 1 335 LEU 335 489 489 LEU LEU A . n A 1 336 SER 336 490 490 SER SER A . n A 1 337 LYS 337 491 491 LYS LYS A . n A 1 338 SER 338 492 492 SER SER A . n A 1 339 VAL 339 493 493 VAL VAL A . n A 1 340 GLN 340 494 494 GLN GLN A . n A 1 341 LEU 341 495 495 LEU LEU A . n A 1 342 ASN 342 496 496 ASN ASN A . n A 1 343 GLY 343 497 497 GLY GLY A . n A 1 344 LEU 344 498 498 LEU LEU A . n A 1 345 THR 345 499 499 THR THR A . n A 1 346 LEU 346 500 500 LEU LEU A . n A 1 347 LYS 347 501 501 LYS LYS A . n A 1 348 MET 348 502 502 MET MET A . n A 1 349 VAL 349 503 503 VAL VAL A . n A 1 350 ASP 350 504 504 ASP ASP A . n A 1 351 ASP 351 505 505 ASP ASP A . n A 1 352 GLN 352 506 506 GLN GLN A . n A 1 353 THR 353 507 507 THR THR A . n A 1 354 LEU 354 508 508 LEU LEU A . n A 1 355 PRO 355 509 509 PRO PRO A . n A 1 356 PRO 356 510 510 PRO PRO A . n A 1 357 LEU 357 511 511 LEU LEU A . n A 1 358 MET 358 512 512 MET MET A . n A 1 359 GLU 359 513 513 GLU GLU A . n A 1 360 LYS 360 514 514 LYS LYS A . n A 1 361 PRO 361 515 515 PRO PRO A . n A 1 362 LEU 362 516 516 LEU LEU A . n A 1 363 ARG 363 517 517 ARG ARG A . n A 1 364 PRO 364 518 518 PRO PRO A . n A 1 365 GLY 365 519 519 GLY GLY A . n A 1 366 SER 366 520 520 SER SER A . n A 1 367 SER 367 521 521 SER SER A . n A 1 368 LEU 368 522 522 LEU LEU A . n A 1 369 GLY 369 523 523 GLY GLY A . n A 1 370 LEU 370 524 524 LEU LEU A . n A 1 371 PRO 371 525 525 PRO PRO A . n A 1 372 ALA 372 526 526 ALA ALA A . n A 1 373 PHE 373 527 527 PHE PHE A . n A 1 374 SER 374 528 528 SER SER A . n A 1 375 TYR 375 529 529 TYR TYR A . n A 1 376 SER 376 530 530 SER SER A . n A 1 377 PHE 377 531 531 PHE PHE A . n A 1 378 PHE 378 532 532 PHE PHE A . n A 1 379 VAL 379 533 533 VAL VAL A . n A 1 380 ILE 380 534 534 ILE ILE A . n A 1 381 ARG 381 535 535 ARG ARG A . n A 1 382 ASN 382 536 536 ASN ASN A . n A 1 383 ALA 383 537 537 ALA ALA A . n A 1 384 LYS 384 538 538 LYS LYS A . n A 1 385 VAL 385 539 539 VAL VAL A . n A 1 386 ALA 386 540 540 ALA ALA A . n A 1 387 ALA 387 541 541 ALA ALA A . n A 1 388 CYS 388 542 542 CYS CYS A . n A 1 389 ILE 389 543 543 ILE ILE A . n B 2 1 ASP 1 -2 ? ? ? B . n B 2 2 PRO 2 -1 ? ? ? B . n B 2 3 GLY 3 0 ? ? ? B . n B 2 4 GLN 4 1 1 GLN GLN B . n B 2 5 ASP 5 2 2 ASP ASP B . n B 2 6 VAL 6 3 3 VAL VAL B . n B 2 7 VAL 7 4 4 VAL VAL B . n B 2 8 ASP 8 5 5 ASP ASP B . n B 2 9 LEU 9 6 6 LEU LEU B . n B 2 10 ASP 10 7 7 ASP ASP B . n B 2 11 PHE 11 8 8 PHE PHE B . n B 2 12 PHE 12 9 9 PHE PHE B . n B 2 13 THR 13 10 10 THR THR B . n B 2 14 GLN 14 11 11 GLN GLN B . n B 2 15 GLU 15 12 12 GLU GLU B . n B 2 16 PRO 16 13 13 PRO PRO B . n B 2 17 LEU 17 14 14 LEU LEU B . n B 2 18 HIS 18 15 15 HIS HIS B . n B 2 19 LEU 19 16 16 LEU LEU B . n B 2 20 VAL 20 17 17 VAL VAL B . n B 2 21 SER 21 18 18 SER SER B . n B 2 22 PRO 22 19 19 PRO PRO B . n B 2 23 SER 23 20 20 SER SER B . n B 2 24 PHE 24 21 21 PHE PHE B . n B 2 25 LEU 25 22 22 LEU LEU B . n B 2 26 SER 26 23 23 SER SER B . n B 2 27 VAL 27 24 24 VAL VAL B . n B 2 28 THR 28 25 25 THR THR B . n B 2 29 ILE 29 26 26 ILE ILE B . n B 2 30 ASP 30 27 27 ASP ASP B . n B 2 31 ALA 31 28 28 ALA ALA B . n B 2 32 ASN 32 29 29 ASN ASN B . n B 2 33 LEU 33 30 30 LEU LEU B . n B 2 34 ALA 34 31 31 ALA ALA B . n B 2 35 THR 35 32 32 THR THR B . n B 2 36 ASP 36 33 33 ASP ASP B . n B 2 37 PRO 37 34 34 PRO PRO B . n B 2 38 ARG 38 35 35 ARG ARG B . n B 2 39 PHE 39 36 36 PHE PHE B . n B 2 40 LEU 40 37 37 LEU LEU B . n B 2 41 ILE 41 38 38 ILE ILE B . n B 2 42 LEU 42 39 39 LEU LEU B . n B 2 43 LEU 43 40 40 LEU LEU B . n B 2 44 GLY 44 41 41 GLY GLY B . n B 2 45 SER 45 42 42 SER SER B . n B 2 46 PRO 46 43 43 PRO PRO B . n B 2 47 LYS 47 44 44 LYS LYS B . n B 2 48 LEU 48 45 45 LEU LEU B . n B 2 49 ARG 49 46 46 ARG ARG B . n B 2 50 THR 50 47 47 THR THR B . n B 2 51 LEU 51 48 48 LEU LEU B . n B 2 52 ALA 52 49 49 ALA ALA B . n B 2 53 ARG 53 50 50 ARG ARG B . n B 2 54 GLY 54 51 51 GLY GLY B . n B 2 55 LEU 55 52 52 LEU LEU B . n B 2 56 SER 56 53 53 SER SER B . n B 2 57 PRO 57 54 54 PRO PRO B . n B 2 58 ALA 58 55 55 ALA ALA B . n B 2 59 TYR 59 56 56 TYR TYR B . n B 2 60 LEU 60 57 57 LEU LEU B . n B 2 61 ARG 61 58 58 ARG ARG B . n B 2 62 PHE 62 59 59 PHE PHE B . n B 2 63 GLY 63 60 60 GLY GLY B . n B 2 64 GLY 64 61 61 GLY GLY B . n B 2 65 THR 65 62 62 THR THR B . n B 2 66 LYS 66 63 63 LYS LYS B . n B 2 67 THR 67 64 64 THR THR B . n B 2 68 ASP 68 65 65 ASP ASP B . n B 2 69 PHE 69 66 66 PHE PHE B . n B 2 70 LEU 70 67 67 LEU LEU B . n B 2 71 ILE 71 68 68 ILE ILE B . n B 2 72 PHE 72 69 69 PHE PHE B . n B 2 73 ASP 73 70 70 ASP ASP B . n B 2 74 PRO 74 71 71 PRO PRO B . n B 2 75 LYS 75 72 72 LYS LYS B . n B 2 76 LYS 76 73 73 LYS LYS B . n B 2 77 GLU 77 74 74 GLU GLU B . 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 C 3 NAG 1 601 1 NAG NAG A . D 3 NAG 1 602 2 NAG NAG A . E 3 NAG 1 603 3 NAG NAG A . F 3 NAG 1 604 4 NAG NAG A . G 3 NAG 1 605 5 NAG NAG A . H 4 FUC 2 606 6 FUC FUC A . I 5 EDO 1 607 1 EDO EDO A . J 5 EDO 1 608 2 EDO EDO A . K 5 EDO 1 609 3 EDO EDO A . L 5 EDO 1 610 4 EDO EDO A . M 5 EDO 1 611 7 EDO EDO A . N 5 EDO 1 612 8 EDO EDO A . O 5 EDO 1 613 10 EDO EDO A . P 5 EDO 1 614 11 EDO EDO A . Q 5 EDO 1 615 12 EDO EDO A . R 5 EDO 1 616 14 EDO EDO A . S 5 EDO 1 617 15 EDO EDO A . T 5 EDO 1 618 16 EDO EDO A . U 5 EDO 1 619 17 EDO EDO A . V 5 EDO 1 620 18 EDO EDO A . W 6 CL 1 621 1 CL CL A . X 6 CL 1 622 2 CL CL A . Y 6 CL 1 623 3 CL CL A . Z 5 EDO 1 101 9 EDO EDO B . AA 7 HOH 1 701 232 HOH HOH A . AA 7 HOH 2 702 212 HOH HOH A . AA 7 HOH 3 703 65 HOH HOH A . AA 7 HOH 4 704 110 HOH HOH A . AA 7 HOH 5 705 102 HOH HOH A . AA 7 HOH 6 706 201 HOH HOH A . AA 7 HOH 7 707 244 HOH HOH A . AA 7 HOH 8 708 82 HOH HOH A . AA 7 HOH 9 709 273 HOH HOH A . AA 7 HOH 10 710 172 HOH HOH A . AA 7 HOH 11 711 111 HOH HOH A . AA 7 HOH 12 712 229 HOH HOH A . AA 7 HOH 13 713 246 HOH HOH A . AA 7 HOH 14 714 183 HOH HOH A . AA 7 HOH 15 715 35 HOH HOH A . AA 7 HOH 16 716 79 HOH HOH A . AA 7 HOH 17 717 76 HOH HOH A . AA 7 HOH 18 718 74 HOH HOH A . AA 7 HOH 19 719 45 HOH HOH A . AA 7 HOH 20 720 218 HOH HOH A . AA 7 HOH 21 721 203 HOH HOH A . AA 7 HOH 22 722 106 HOH HOH A . AA 7 HOH 23 723 187 HOH HOH A . AA 7 HOH 24 724 30 HOH HOH A . AA 7 HOH 25 725 117 HOH HOH A . AA 7 HOH 26 726 144 HOH HOH A . AA 7 HOH 27 727 154 HOH HOH A . AA 7 HOH 28 728 145 HOH HOH A . AA 7 HOH 29 729 185 HOH HOH A . AA 7 HOH 30 730 190 HOH HOH A . AA 7 HOH 31 731 248 HOH HOH A . AA 7 HOH 32 732 29 HOH HOH A . AA 7 HOH 33 733 219 HOH HOH A . AA 7 HOH 34 734 184 HOH HOH A . AA 7 HOH 35 735 236 HOH HOH A . AA 7 HOH 36 736 135 HOH HOH A . AA 7 HOH 37 737 253 HOH HOH A . AA 7 HOH 38 738 91 HOH HOH A . AA 7 HOH 39 739 139 HOH HOH A . AA 7 HOH 40 740 88 HOH HOH A . AA 7 HOH 41 741 252 HOH HOH A . AA 7 HOH 42 742 86 HOH HOH A . AA 7 HOH 43 743 158 HOH HOH A . AA 7 HOH 44 744 205 HOH HOH A . AA 7 HOH 45 745 137 HOH HOH A . AA 7 HOH 46 746 20 HOH HOH A . AA 7 HOH 47 747 107 HOH HOH A . AA 7 HOH 48 748 70 HOH HOH A . AA 7 HOH 49 749 98 HOH HOH A . AA 7 HOH 50 750 226 HOH HOH A . AA 7 HOH 51 751 279 HOH HOH A . AA 7 HOH 52 752 188 HOH HOH A . AA 7 HOH 53 753 108 HOH HOH A . AA 7 HOH 54 754 9 HOH HOH A . AA 7 HOH 55 755 171 HOH HOH A . AA 7 HOH 56 756 81 HOH HOH A . AA 7 HOH 57 757 58 HOH HOH A . AA 7 HOH 58 758 42 HOH HOH A . AA 7 HOH 59 759 99 HOH HOH A . AA 7 HOH 60 760 23 HOH HOH A . AA 7 HOH 61 761 223 HOH HOH A . AA 7 HOH 62 762 46 HOH HOH A . AA 7 HOH 63 763 27 HOH HOH A . AA 7 HOH 64 764 59 HOH HOH A . AA 7 HOH 65 765 193 HOH HOH A . AA 7 HOH 66 766 80 HOH HOH A . AA 7 HOH 67 767 133 HOH HOH A . AA 7 HOH 68 768 191 HOH HOH A . AA 7 HOH 69 769 73 HOH HOH A . AA 7 HOH 70 770 36 HOH HOH A . AA 7 HOH 71 771 276 HOH HOH A . AA 7 HOH 72 772 197 HOH HOH A . AA 7 HOH 73 773 48 HOH HOH A . AA 7 HOH 74 774 249 HOH HOH A . AA 7 HOH 75 775 138 HOH HOH A . AA 7 HOH 76 776 259 HOH HOH A . AA 7 HOH 77 777 75 HOH HOH A . AA 7 HOH 78 778 149 HOH HOH A . AA 7 HOH 79 779 221 HOH HOH A . AA 7 HOH 80 780 77 HOH HOH A . AA 7 HOH 81 781 24 HOH HOH A . AA 7 HOH 82 782 207 HOH HOH A . AA 7 HOH 83 783 186 HOH HOH A . AA 7 HOH 84 784 256 HOH HOH A . AA 7 HOH 85 785 54 HOH HOH A . AA 7 HOH 86 786 169 HOH HOH A . AA 7 HOH 87 787 19 HOH HOH A . AA 7 HOH 88 788 21 HOH HOH A . AA 7 HOH 89 789 32 HOH HOH A . AA 7 HOH 90 790 235 HOH HOH A . AA 7 HOH 91 791 164 HOH HOH A . AA 7 HOH 92 792 129 HOH HOH A . AA 7 HOH 93 793 233 HOH HOH A . AA 7 HOH 94 794 210 HOH HOH A . AA 7 HOH 95 795 170 HOH HOH A . AA 7 HOH 96 796 227 HOH HOH A . AA 7 HOH 97 797 85 HOH HOH A . AA 7 HOH 98 798 131 HOH HOH A . AA 7 HOH 99 799 283 HOH HOH A . AA 7 HOH 100 800 16 HOH HOH A . AA 7 HOH 101 801 159 HOH HOH A . AA 7 HOH 102 802 71 HOH HOH A . AA 7 HOH 103 803 146 HOH HOH A . AA 7 HOH 104 804 96 HOH HOH A . AA 7 HOH 105 805 56 HOH HOH A . AA 7 HOH 106 806 38 HOH HOH A . AA 7 HOH 107 807 109 HOH HOH A . AA 7 HOH 108 808 132 HOH HOH A . AA 7 HOH 109 809 161 HOH HOH A . AA 7 HOH 110 810 33 HOH HOH A . AA 7 HOH 111 811 200 HOH HOH A . AA 7 HOH 112 812 34 HOH HOH A . AA 7 HOH 113 813 60 HOH HOH A . AA 7 HOH 114 814 13 HOH HOH A . AA 7 HOH 115 815 115 HOH HOH A . AA 7 HOH 116 816 89 HOH HOH A . AA 7 HOH 117 817 243 HOH HOH A . AA 7 HOH 118 818 228 HOH HOH A . AA 7 HOH 119 819 245 HOH HOH A . AA 7 HOH 120 820 5 HOH HOH A . AA 7 HOH 121 821 251 HOH HOH A . AA 7 HOH 122 822 1 HOH HOH A . AA 7 HOH 123 823 84 HOH HOH A . AA 7 HOH 124 824 87 HOH HOH A . AA 7 HOH 125 825 242 HOH HOH A . AA 7 HOH 126 826 6 HOH HOH A . AA 7 HOH 127 827 217 HOH HOH A . AA 7 HOH 128 828 157 HOH HOH A . AA 7 HOH 129 829 141 HOH HOH A . AA 7 HOH 130 830 155 HOH HOH A . AA 7 HOH 131 831 254 HOH HOH A . AA 7 HOH 132 832 55 HOH HOH A . AA 7 HOH 133 833 49 HOH HOH A . AA 7 HOH 134 834 44 HOH HOH A . AA 7 HOH 135 835 78 HOH HOH A . AA 7 HOH 136 836 128 HOH HOH A . AA 7 HOH 137 837 241 HOH HOH A . AA 7 HOH 138 838 25 HOH HOH A . AA 7 HOH 139 839 230 HOH HOH A . AA 7 HOH 140 840 275 HOH HOH A . AA 7 HOH 141 841 119 HOH HOH A . AA 7 HOH 142 842 40 HOH HOH A . AA 7 HOH 143 843 152 HOH HOH A . AA 7 HOH 144 844 277 HOH HOH A . AA 7 HOH 145 845 130 HOH HOH A . AA 7 HOH 146 846 189 HOH HOH A . AA 7 HOH 147 847 121 HOH HOH A . AA 7 HOH 148 848 136 HOH HOH A . AA 7 HOH 149 849 51 HOH HOH A . AA 7 HOH 150 850 15 HOH HOH A . AA 7 HOH 151 851 281 HOH HOH A . AA 7 HOH 152 852 105 HOH HOH A . AA 7 HOH 153 853 101 HOH HOH A . AA 7 HOH 154 854 97 HOH HOH A . AA 7 HOH 155 855 124 HOH HOH A . AA 7 HOH 156 856 208 HOH HOH A . AA 7 HOH 157 857 118 HOH HOH A . AA 7 HOH 158 858 66 HOH HOH A . AA 7 HOH 159 859 4 HOH HOH A . AA 7 HOH 160 860 3 HOH HOH A . AA 7 HOH 161 861 211 HOH HOH A . AA 7 HOH 162 862 67 HOH HOH A . AA 7 HOH 163 863 238 HOH HOH A . AA 7 HOH 164 864 274 HOH HOH A . AA 7 HOH 165 865 216 HOH HOH A . AA 7 HOH 166 866 7 HOH HOH A . AA 7 HOH 167 867 153 HOH HOH A . AA 7 HOH 168 868 14 HOH HOH A . AA 7 HOH 169 869 206 HOH HOH A . AA 7 HOH 170 870 64 HOH HOH A . AA 7 HOH 171 871 26 HOH HOH A . AA 7 HOH 172 872 195 HOH HOH A . AA 7 HOH 173 873 204 HOH HOH A . AA 7 HOH 174 874 104 HOH HOH A . AA 7 HOH 175 875 196 HOH HOH A . AA 7 HOH 176 876 116 HOH HOH A . AA 7 HOH 177 877 272 HOH HOH A . AA 7 HOH 178 878 160 HOH HOH A . AA 7 HOH 179 879 140 HOH HOH A . AA 7 HOH 180 880 225 HOH HOH A . AA 7 HOH 181 881 268 HOH HOH A . AA 7 HOH 182 882 93 HOH HOH A . AA 7 HOH 183 883 222 HOH HOH A . AA 7 HOH 184 884 194 HOH HOH A . AA 7 HOH 185 885 199 HOH HOH A . AA 7 HOH 186 886 278 HOH HOH A . AA 7 HOH 187 887 134 HOH HOH A . AA 7 HOH 188 888 271 HOH HOH A . AA 7 HOH 189 889 269 HOH HOH A . AA 7 HOH 190 890 257 HOH HOH A . AA 7 HOH 191 891 94 HOH HOH A . AA 7 HOH 192 892 177 HOH HOH A . AA 7 HOH 193 893 282 HOH HOH A . AA 7 HOH 194 894 214 HOH HOH A . AA 7 HOH 195 895 260 HOH HOH A . AA 7 HOH 196 896 100 HOH HOH A . AA 7 HOH 197 897 198 HOH HOH A . AA 7 HOH 198 898 220 HOH HOH A . AA 7 HOH 199 899 250 HOH HOH A . AA 7 HOH 200 900 270 HOH HOH A . AA 7 HOH 201 901 280 HOH HOH A . AA 7 HOH 202 902 266 HOH HOH A . BA 7 HOH 1 201 175 HOH HOH B . BA 7 HOH 2 202 168 HOH HOH B . BA 7 HOH 3 203 47 HOH HOH B . BA 7 HOH 4 204 151 HOH HOH B . BA 7 HOH 5 205 261 HOH HOH B . BA 7 HOH 6 206 90 HOH HOH B . BA 7 HOH 7 207 92 HOH HOH B . BA 7 HOH 8 208 267 HOH HOH B . BA 7 HOH 9 209 231 HOH HOH B . BA 7 HOH 10 210 72 HOH HOH B . BA 7 HOH 11 211 53 HOH HOH B . BA 7 HOH 12 212 123 HOH HOH B . BA 7 HOH 13 213 258 HOH HOH B . BA 7 HOH 14 214 68 HOH HOH B . BA 7 HOH 15 215 31 HOH HOH B . BA 7 HOH 16 216 127 HOH HOH B . BA 7 HOH 17 217 69 HOH HOH B . BA 7 HOH 18 218 126 HOH HOH B . BA 7 HOH 19 219 176 HOH HOH B . BA 7 HOH 20 220 181 HOH HOH B . BA 7 HOH 21 221 52 HOH HOH B . BA 7 HOH 22 222 150 HOH HOH B . BA 7 HOH 23 223 165 HOH HOH B . BA 7 HOH 24 224 39 HOH HOH B . BA 7 HOH 25 225 179 HOH HOH B . BA 7 HOH 26 226 162 HOH HOH B . BA 7 HOH 27 227 57 HOH HOH B . BA 7 HOH 28 228 8 HOH HOH B . BA 7 HOH 29 229 120 HOH HOH B . BA 7 HOH 30 230 239 HOH HOH B . BA 7 HOH 31 231 156 HOH HOH B . BA 7 HOH 32 232 180 HOH HOH B . BA 7 HOH 33 233 255 HOH HOH B . BA 7 HOH 34 234 125 HOH HOH B . BA 7 HOH 35 235 122 HOH HOH B . BA 7 HOH 36 236 163 HOH HOH B . BA 7 HOH 37 237 37 HOH HOH B . BA 7 HOH 38 238 215 HOH HOH B . BA 7 HOH 39 239 182 HOH HOH B . BA 7 HOH 40 240 209 HOH HOH B . BA 7 HOH 41 241 237 HOH HOH B . BA 7 HOH 42 242 178 HOH HOH B . BA 7 HOH 43 243 166 HOH HOH B . BA 7 HOH 44 244 247 HOH HOH B . BA 7 HOH 45 245 240 HOH HOH B . BA 7 HOH 46 246 173 HOH HOH B . BA 7 HOH 47 247 264 HOH HOH B . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 13710 ? 1 MORE -24 ? 1 'SSA (A^2)' 18810 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2015-11-18 2 'Structure model' 1 1 2015-12-02 3 'Structure model' 1 2 2015-12-16 4 'Structure model' 1 3 2016-05-04 # _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' 3 4 'Structure model' 'Structure summary' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0131 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? SHELX ? ? ? . 4 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 895 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 B _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 205 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 2_557 _pdbx_validate_symm_contact.dist 2.11 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CD _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 GLU _pdbx_validate_rmsd_bond.auth_seq_id_1 225 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 OE2 _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 GLU _pdbx_validate_rmsd_bond.auth_seq_id_2 225 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.335 _pdbx_validate_rmsd_bond.bond_target_value 1.252 _pdbx_validate_rmsd_bond.bond_deviation 0.083 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.011 _pdbx_validate_rmsd_bond.linker_flag N # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CB _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 ASP _pdbx_validate_rmsd_angle.auth_seq_id_1 357 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CG _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 ASP _pdbx_validate_rmsd_angle.auth_seq_id_2 357 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 OD1 _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 ASP _pdbx_validate_rmsd_angle.auth_seq_id_3 357 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 123.94 _pdbx_validate_rmsd_angle.angle_target_value 118.30 _pdbx_validate_rmsd_angle.angle_deviation 5.64 _pdbx_validate_rmsd_angle.angle_standard_deviation 0.90 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 PHE A 258 ? ? -106.93 76.53 2 1 THR A 333 ? ? -132.02 -41.94 3 1 GLU A 343 ? ? -166.65 118.67 4 1 SER A 345 ? ? -168.04 -166.30 5 1 LEU A 354 ? ? 34.18 21.40 6 1 LEU A 355 ? ? -125.50 -55.48 7 1 LEU A 419 ? ? -117.72 -157.47 # _pdbx_distant_solvent_atoms.id 1 _pdbx_distant_solvent_atoms.PDB_model_num 1 _pdbx_distant_solvent_atoms.auth_atom_id O _pdbx_distant_solvent_atoms.label_alt_id ? _pdbx_distant_solvent_atoms.auth_asym_id B _pdbx_distant_solvent_atoms.auth_comp_id HOH _pdbx_distant_solvent_atoms.auth_seq_id 247 _pdbx_distant_solvent_atoms.PDB_ins_code ? _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 6.88 _pdbx_distant_solvent_atoms.neighbor_ligand_distance . # 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 155 ? A ASP 1 2 1 Y 1 A PRO 156 ? A PRO 2 3 1 Y 1 A GLY 157 ? A GLY 3 4 1 Y 1 A LYS 158 ? A LYS 4 5 1 Y 1 B ASP -2 ? B ASP 1 6 1 Y 1 B PRO -1 ? B PRO 2 7 1 Y 1 B GLY 0 ? B GLY 3 # _pdbx_audit_support.funding_organization 'European Research Council' _pdbx_audit_support.country 'United Kingdom' _pdbx_audit_support.grant_number ? _pdbx_audit_support.ordinal 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 ALPHA-L-FUCOSE FUC 5 1,2-ETHANEDIOL EDO 6 'CHLORIDE ION' CL 7 water HOH #