data_3KU3 # _entry.id 3KU3 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3KU3 RCSB RCSB056448 WWPDB D_1000056448 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3ku5 . unspecified PDB 3ku6 . unspecified # _pdbx_database_status.entry_id 3KU3 _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2009-11-26 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Xu, R.' 1 'Wilson, I.A.' 2 # _citation.id primary _citation.title 'Structure, receptor binding, and antigenicity of influenza virus hemagglutinins from the 1957 H2N2 pandemic.' _citation.journal_abbrev J.Virol. _citation.journal_volume 84 _citation.page_first 1715 _citation.page_last 1721 _citation.year 2010 _citation.journal_id_ASTM JOVIAM _citation.country US _citation.journal_id_ISSN 0022-538X _citation.journal_id_CSD 0825 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 20007271 _citation.pdbx_database_id_DOI 10.1128/JVI.02162-09 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Xu, R.' 1 primary 'McBride, R.' 2 primary 'Paulson, J.C.' 3 primary 'Basler, C.F.' 4 primary 'Wilson, I.A.' 5 # _cell.entry_id 3KU3 _cell.length_a 70.252 _cell.length_b 70.252 _cell.length_c 236.879 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 6 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3KU3 _symmetry.space_group_name_H-M 'P 63' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 173 _symmetry.space_group_name_Hall ? # 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 'Hemagglutinin HA1 chain' 36504.227 1 ? ? 'UNP residues 15-340' ? 2 polymer man 'Hemagglutinin HA2 chain' 20139.295 1 ? ? 'UNP residues 341-514' ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 4 non-polymer syn 1,2-ETHANEDIOL 62.068 1 ? ? ? ? 5 non-polymer syn 'DI(HYDROXYETHYL)ETHER' 106.120 1 ? ? ? ? 6 water nat water 18.015 560 ? ? ? ? # 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 ;PGDQICIGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGDCSIAGWLLGNPECDRLLSVPEWSY IMEKENPRDGLCYPGSFNDYEELKHLLSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVWLTEKGSNYPV AKGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGQGGRMEFSWTLLDMWDTI NFESTGNLIAPEYGFKISKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPKYVKSEKLVLATGLRN VPQIESR ; ;PGDQICIGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGDCSIAGWLLGNPECDRLLSVPEWSY IMEKENPRDGLCYPGSFNDYEELKHLLSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVWLTEKGSNYPV AKGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGQGGRMEFSWTLLDMWDTI NFESTGNLIAPEYGFKISKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPKYVKSEKLVLATGLRN VPQIESR ; A ? 2 'polypeptide(L)' no no ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNDQGSGYAADKESTQKAFDGITNKVNSVIEKMNTQFEAVGKEFSNLERRLENL NKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRMQLRDNVKELGNGCFEFYHKCDDECMNSVKNGTYDYP KYEEESKLNRNEIK ; ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNDQGSGYAADKESTQKAFDGITNKVNSVIEKMNTQFEAVGKEFSNLERRLENL NKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRMQLRDNVKELGNGCFEFYHKCDDECMNSVKNGTYDYP KYEEESKLNRNEIK ; B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PRO n 1 2 GLY n 1 3 ASP n 1 4 GLN n 1 5 ILE n 1 6 CYS n 1 7 ILE n 1 8 GLY n 1 9 TYR n 1 10 HIS n 1 11 ALA n 1 12 ASN n 1 13 ASN n 1 14 SER n 1 15 THR n 1 16 GLU n 1 17 LYS n 1 18 VAL n 1 19 ASP n 1 20 THR n 1 21 ILE n 1 22 LEU n 1 23 GLU n 1 24 ARG n 1 25 ASN n 1 26 VAL n 1 27 THR n 1 28 VAL n 1 29 THR n 1 30 HIS n 1 31 ALA n 1 32 LYS n 1 33 ASP n 1 34 ILE n 1 35 LEU n 1 36 GLU n 1 37 LYS n 1 38 THR n 1 39 HIS n 1 40 ASN n 1 41 GLY n 1 42 LYS n 1 43 LEU n 1 44 CYS n 1 45 LYS n 1 46 LEU n 1 47 ASN n 1 48 GLY n 1 49 ILE n 1 50 PRO n 1 51 PRO n 1 52 LEU n 1 53 GLU n 1 54 LEU n 1 55 GLY n 1 56 ASP n 1 57 CYS n 1 58 SER n 1 59 ILE n 1 60 ALA n 1 61 GLY n 1 62 TRP n 1 63 LEU n 1 64 LEU n 1 65 GLY n 1 66 ASN n 1 67 PRO n 1 68 GLU n 1 69 CYS n 1 70 ASP n 1 71 ARG n 1 72 LEU n 1 73 LEU n 1 74 SER n 1 75 VAL n 1 76 PRO n 1 77 GLU n 1 78 TRP n 1 79 SER n 1 80 TYR n 1 81 ILE n 1 82 MET n 1 83 GLU n 1 84 LYS n 1 85 GLU n 1 86 ASN n 1 87 PRO n 1 88 ARG n 1 89 ASP n 1 90 GLY n 1 91 LEU n 1 92 CYS n 1 93 TYR n 1 94 PRO n 1 95 GLY n 1 96 SER n 1 97 PHE n 1 98 ASN n 1 99 ASP n 1 100 TYR n 1 101 GLU n 1 102 GLU n 1 103 LEU n 1 104 LYS n 1 105 HIS n 1 106 LEU n 1 107 LEU n 1 108 SER n 1 109 SER n 1 110 VAL n 1 111 LYS n 1 112 HIS n 1 113 PHE n 1 114 GLU n 1 115 LYS n 1 116 VAL n 1 117 LYS n 1 118 ILE n 1 119 LEU n 1 120 PRO n 1 121 LYS n 1 122 ASP n 1 123 ARG n 1 124 TRP n 1 125 THR n 1 126 GLN n 1 127 HIS n 1 128 THR n 1 129 THR n 1 130 THR n 1 131 GLY n 1 132 GLY n 1 133 SER n 1 134 ARG n 1 135 ALA n 1 136 CYS n 1 137 ALA n 1 138 VAL n 1 139 SER n 1 140 GLY n 1 141 ASN n 1 142 PRO n 1 143 SER n 1 144 PHE n 1 145 PHE n 1 146 ARG n 1 147 ASN n 1 148 MET n 1 149 VAL n 1 150 TRP n 1 151 LEU n 1 152 THR n 1 153 GLU n 1 154 LYS n 1 155 GLY n 1 156 SER n 1 157 ASN n 1 158 TYR n 1 159 PRO n 1 160 VAL n 1 161 ALA n 1 162 LYS n 1 163 GLY n 1 164 SER n 1 165 TYR n 1 166 ASN n 1 167 ASN n 1 168 THR n 1 169 SER n 1 170 GLY n 1 171 GLU n 1 172 GLN n 1 173 MET n 1 174 LEU n 1 175 ILE n 1 176 ILE n 1 177 TRP n 1 178 GLY n 1 179 VAL n 1 180 HIS n 1 181 HIS n 1 182 PRO n 1 183 ASN n 1 184 ASP n 1 185 GLU n 1 186 THR n 1 187 GLU n 1 188 GLN n 1 189 ARG n 1 190 THR n 1 191 LEU n 1 192 TYR n 1 193 GLN n 1 194 ASN n 1 195 VAL n 1 196 GLY n 1 197 THR n 1 198 TYR n 1 199 VAL n 1 200 SER n 1 201 VAL n 1 202 GLY n 1 203 THR n 1 204 SER n 1 205 THR n 1 206 LEU n 1 207 ASN n 1 208 LYS n 1 209 ARG n 1 210 SER n 1 211 THR n 1 212 PRO n 1 213 GLU n 1 214 ILE n 1 215 ALA n 1 216 THR n 1 217 ARG n 1 218 PRO n 1 219 LYS n 1 220 VAL n 1 221 ASN n 1 222 GLY n 1 223 GLN n 1 224 GLY n 1 225 GLY n 1 226 ARG n 1 227 MET n 1 228 GLU n 1 229 PHE n 1 230 SER n 1 231 TRP n 1 232 THR n 1 233 LEU n 1 234 LEU n 1 235 ASP n 1 236 MET n 1 237 TRP n 1 238 ASP n 1 239 THR n 1 240 ILE n 1 241 ASN n 1 242 PHE n 1 243 GLU n 1 244 SER n 1 245 THR n 1 246 GLY n 1 247 ASN n 1 248 LEU n 1 249 ILE n 1 250 ALA n 1 251 PRO n 1 252 GLU n 1 253 TYR n 1 254 GLY n 1 255 PHE n 1 256 LYS n 1 257 ILE n 1 258 SER n 1 259 LYS n 1 260 ARG n 1 261 GLY n 1 262 SER n 1 263 SER n 1 264 GLY n 1 265 ILE n 1 266 MET n 1 267 LYS n 1 268 THR n 1 269 GLU n 1 270 GLY n 1 271 THR n 1 272 LEU n 1 273 GLU n 1 274 ASN n 1 275 CYS n 1 276 GLU n 1 277 THR n 1 278 LYS n 1 279 CYS n 1 280 GLN n 1 281 THR n 1 282 PRO n 1 283 LEU n 1 284 GLY n 1 285 ALA n 1 286 ILE n 1 287 ASN n 1 288 THR n 1 289 THR n 1 290 LEU n 1 291 PRO n 1 292 PHE n 1 293 HIS n 1 294 ASN n 1 295 VAL n 1 296 HIS n 1 297 PRO n 1 298 LEU n 1 299 THR n 1 300 ILE n 1 301 GLY n 1 302 GLU n 1 303 CYS n 1 304 PRO n 1 305 LYS n 1 306 TYR n 1 307 VAL n 1 308 LYS n 1 309 SER n 1 310 GLU n 1 311 LYS n 1 312 LEU n 1 313 VAL n 1 314 LEU n 1 315 ALA n 1 316 THR n 1 317 GLY n 1 318 LEU n 1 319 ARG n 1 320 ASN n 1 321 VAL n 1 322 PRO n 1 323 GLN n 1 324 ILE n 1 325 GLU n 1 326 SER n 1 327 ARG n 2 1 GLY n 2 2 LEU n 2 3 PHE n 2 4 GLY n 2 5 ALA n 2 6 ILE n 2 7 ALA n 2 8 GLY n 2 9 PHE n 2 10 ILE n 2 11 GLU n 2 12 GLY n 2 13 GLY n 2 14 TRP n 2 15 GLN n 2 16 GLY n 2 17 MET n 2 18 VAL n 2 19 ASP n 2 20 GLY n 2 21 TRP n 2 22 TYR n 2 23 GLY n 2 24 TYR n 2 25 HIS n 2 26 HIS n 2 27 SER n 2 28 ASN n 2 29 ASP n 2 30 GLN n 2 31 GLY n 2 32 SER n 2 33 GLY n 2 34 TYR n 2 35 ALA n 2 36 ALA n 2 37 ASP n 2 38 LYS n 2 39 GLU n 2 40 SER n 2 41 THR n 2 42 GLN n 2 43 LYS n 2 44 ALA n 2 45 PHE n 2 46 ASP n 2 47 GLY n 2 48 ILE n 2 49 THR n 2 50 ASN n 2 51 LYS n 2 52 VAL n 2 53 ASN n 2 54 SER n 2 55 VAL n 2 56 ILE n 2 57 GLU n 2 58 LYS n 2 59 MET n 2 60 ASN n 2 61 THR n 2 62 GLN n 2 63 PHE n 2 64 GLU n 2 65 ALA n 2 66 VAL n 2 67 GLY n 2 68 LYS n 2 69 GLU n 2 70 PHE n 2 71 SER n 2 72 ASN n 2 73 LEU n 2 74 GLU n 2 75 ARG n 2 76 ARG n 2 77 LEU n 2 78 GLU n 2 79 ASN n 2 80 LEU n 2 81 ASN n 2 82 LYS n 2 83 LYS n 2 84 MET n 2 85 GLU n 2 86 ASP n 2 87 GLY n 2 88 PHE n 2 89 LEU n 2 90 ASP n 2 91 VAL n 2 92 TRP n 2 93 THR n 2 94 TYR n 2 95 ASN n 2 96 ALA n 2 97 GLU n 2 98 LEU n 2 99 LEU n 2 100 VAL n 2 101 LEU n 2 102 MET n 2 103 GLU n 2 104 ASN n 2 105 GLU n 2 106 ARG n 2 107 THR n 2 108 LEU n 2 109 ASP n 2 110 PHE n 2 111 HIS n 2 112 ASP n 2 113 SER n 2 114 ASN n 2 115 VAL n 2 116 LYS n 2 117 ASN n 2 118 LEU n 2 119 TYR n 2 120 ASP n 2 121 LYS n 2 122 VAL n 2 123 ARG n 2 124 MET n 2 125 GLN n 2 126 LEU n 2 127 ARG n 2 128 ASP n 2 129 ASN n 2 130 VAL n 2 131 LYS n 2 132 GLU n 2 133 LEU n 2 134 GLY n 2 135 ASN n 2 136 GLY n 2 137 CYS n 2 138 PHE n 2 139 GLU n 2 140 PHE n 2 141 TYR n 2 142 HIS n 2 143 LYS n 2 144 CYS n 2 145 ASP n 2 146 ASP n 2 147 GLU n 2 148 CYS n 2 149 MET n 2 150 ASN n 2 151 SER n 2 152 VAL n 2 153 LYS n 2 154 ASN n 2 155 GLY n 2 156 THR n 2 157 TYR n 2 158 ASP n 2 159 TYR n 2 160 PRO n 2 161 LYS n 2 162 TYR n 2 163 GLU n 2 164 GLU n 2 165 GLU n 2 166 SER n 2 167 LYS n 2 168 LEU n 2 169 ASN n 2 170 ARG n 2 171 ASN n 2 172 GLU n 2 173 ILE n 2 174 LYS 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 ? ? ? ? ? 'HA, hemagglutinin' ? A/Japan/305/1957 ? ? ? ? 'Influenza A virus' 387161 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? Hi5 ? ? ? ? ? ? ? Baculovirus ? ? ? pFASTbac-HT ? ? 2 1 sample ? ? ? ? ? 'HA, hemagglutinin' ? A/Japan/305/1957 ? ? ? ? 'Influenza A virus' 387161 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? Hi5 ? ? ? ? ? ? ? Baculovirus ? ? ? pFASTbac-HT ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP C7S226_I57A0 C7S226 1 ;GDQICIGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGDCSIAGWLLGNPECDRLLSVPEWSYI MEKENPRDGLCYPGSFNDYEELKHLLSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVWLTEKGSNYPVA KGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGQGGRMEFSWTLLDMWDTIN FESTGNLIAPEYGFKISKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPKYVKSEKLVLATGLRNV PQIESR ; 15 ? 2 UNP C7S226_I57A0 C7S226 2 ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNDQGSGYAADKESTQKAFDGITNKVNSVIEKMNTQFEAVGKEFSNLERRLENL NKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRMQLRDNVKELGNGCFEFYHKCDDECMNSVKNGTYDYP KYEEESKLNRNEIK ; 341 ? # 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 3KU3 A 2 ? 327 ? C7S226 15 ? 340 ? 10 329 2 2 3KU3 B 1 ? 174 ? C7S226 341 ? 514 ? 1 174 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 3KU3 _struct_ref_seq_dif.mon_id PRO _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 1 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code C7S226 _struct_ref_seq_dif.db_mon_id ? _struct_ref_seq_dif.pdbx_seq_db_seq_num ? _struct_ref_seq_dif.details 'EXPRESSION TAG' _struct_ref_seq_dif.pdbx_auth_seq_num 9 _struct_ref_seq_dif.pdbx_ordinal 1 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 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 PEG non-polymer . 'DI(HYDROXYETHYL)ETHER' ? 'C4 H10 O3' 106.120 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3KU3 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.98 _exptl_crystal.density_percent_sol 58.71 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.0 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '28% PEG 3000, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 325 mm CCD' _diffrn_detector.pdbx_collection_date 2008-08-05 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Side scattering bent cube-root I-beam single crystal' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97945 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL11-1' _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL11-1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.97945 # _reflns.entry_id 3KU3 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 32.000 _reflns.d_resolution_high 1.500 _reflns.number_obs 103348 _reflns.number_all ? _reflns.percent_possible_obs 98.000 _reflns.pdbx_Rmerge_I_obs 0.062 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 17.000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 11.700 _reflns.R_free_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.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.percent_possible_all _reflns_shell.Rmerge_I_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_unique_obs _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 1.50 1.55 82.40 0.676 ? ? 3.50 ? ? ? ? ? ? 1 1 1.55 1.62 98.00 0.583 ? ? 5.50 ? ? ? ? ? ? 2 1 1.62 1.69 100.00 0.450 ? ? 7.50 ? ? ? ? ? ? 3 1 1.69 1.78 100.00 0.310 ? ? 8.20 ? ? ? ? ? ? 4 1 1.78 1.89 100.00 0.233 ? ? 10.30 ? ? ? ? ? ? 5 1 1.89 2.04 100.00 0.180 ? ? 14.30 ? ? ? ? ? ? 6 1 2.04 2.24 100.00 0.127 ? ? 16.20 ? ? ? ? ? ? 7 1 2.24 2.56 100.00 0.095 ? ? 16.50 ? ? ? ? ? ? 8 1 2.56 3.23 100.00 0.066 ? ? 16.70 ? ? ? ? ? ? 9 1 3.23 32.00 99.70 0.046 ? ? 16.40 ? ? ? ? ? ? 10 1 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3KU3 _refine.ls_number_reflns_obs 82347 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 30.20 _refine.ls_d_res_high 1.60 _refine.ls_percent_reflns_obs 99.93 _refine.ls_R_factor_obs 0.20074 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.19923 _refine.ls_R_factor_R_free 0.23037 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 4317 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 0.33 _refine.occupancy_max 1.00 _refine.correlation_coeff_Fo_to_Fc 0.963 _refine.correlation_coeff_Fo_to_Fc_free 0.949 _refine.B_iso_mean 30.158 _refine.aniso_B[1][1] 0.64 _refine.aniso_B[2][2] 0.64 _refine.aniso_B[3][3] -0.96 _refine.aniso_B[1][2] 0.32 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.087 _refine.pdbx_overall_ESU_R_Free 0.089 _refine.overall_SU_ML 0.061 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 3.418 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3930 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 81 _refine_hist.number_atoms_solvent 560 _refine_hist.number_atoms_total 4571 _refine_hist.d_res_high 1.60 _refine_hist.d_res_low 30.20 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.012 0.021 ? 4137 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.406 1.967 ? 5605 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.011 5.000 ? 504 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.833 25.051 ? 198 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 12.933 15.000 ? 709 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 15.563 15.000 ? 19 'X-RAY DIFFRACTION' ? r_chiral_restr 0.094 0.200 ? 606 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.005 0.020 ? 3122 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.196 0.200 ? 1877 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.310 0.200 ? 2808 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.128 0.200 ? 440 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.182 0.200 ? 81 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.181 0.200 ? 33 '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' ? r_mcbond_it 0.930 1.500 ? 2536 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.491 2.000 ? 3990 'X-RAY DIFFRACTION' ? r_scbond_it 2.392 3.000 ? 1816 'X-RAY DIFFRACTION' ? r_scangle_it 3.672 4.500 ? 1611 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.600 _refine_ls_shell.d_res_low 1.641 _refine_ls_shell.number_reflns_R_work 6037 _refine_ls_shell.R_factor_R_work 0.270 _refine_ls_shell.percent_reflns_obs 99.95 _refine_ls_shell.R_factor_R_free 0.311 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 329 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 3KU3 _struct.title 'Crystal structure of a H2N2 influenza virus hemagglutinin, avian like' _struct.pdbx_descriptor 'Hemagglutinin HA1 chain, Hemagglutinin HA2 chain' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3KU3 _struct_keywords.text 'viral envelope protein, hemagglutinin, viral fusion protein, Envelope protein, VIRAL PROTEIN' _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' # 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 4 ? G N N 3 ? H N N 3 ? I N N 5 ? J N N 6 ? K N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 SER A 58 ? GLY A 65 ? SER A 65 GLY A 72 1 ? 8 HELX_P HELX_P2 2 ASN A 66 ? LEU A 73 ? ASN A 73 LEU A 80 5 ? 8 HELX_P HELX_P3 3 ASP A 99 ? SER A 108 ? ASP A 104 SER A 113 1 ? 10 HELX_P HELX_P4 4 PRO A 120 ? TRP A 124 ? PRO A 122 TRP A 127 5 ? 5 HELX_P HELX_P5 5 ASP A 184 ? GLN A 193 ? ASP A 187 GLN A 196 1 ? 10 HELX_P HELX_P6 6 ASP B 37 ? MET B 59 ? ASP B 37 MET B 59 1 ? 23 HELX_P HELX_P7 7 GLU B 74 ? ARG B 127 ? GLU B 74 ARG B 127 1 ? 54 HELX_P HELX_P8 8 ASP B 145 ? ASN B 154 ? ASP B 145 ASN B 154 1 ? 10 HELX_P HELX_P9 9 ASP B 158 ? GLU B 172 ? ASP B 158 GLU B 172 1 ? 15 # _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 6 SG ? ? ? 1_555 B CYS 137 SG ? ? A CYS 14 B CYS 137 1_555 ? ? ? ? ? ? ? 2.082 ? disulf2 disulf ? ? A CYS 44 SG ? ? ? 1_555 A CYS 275 SG ? ? A CYS 52 A CYS 277 1_555 ? ? ? ? ? ? ? 2.101 ? disulf3 disulf ? ? A CYS 57 SG ? ? ? 1_555 A CYS 69 SG ? ? A CYS 64 A CYS 76 1_555 ? ? ? ? ? ? ? 2.094 ? disulf4 disulf ? ? A CYS 279 SG ? ? ? 1_555 A CYS 303 SG ? ? A CYS 281 A CYS 305 1_555 ? ? ? ? ? ? ? 2.086 ? disulf5 disulf ? ? B CYS 144 SG ? ? ? 1_555 B CYS 148 SG ? ? B CYS 144 B CYS 148 1_555 ? ? ? ? ? ? ? 2.093 ? covale1 covale ? ? A ASN 25 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 33 A NAG 332 1_555 ? ? ? ? ? ? ? 1.452 ? covale2 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 330 A NAG 331 1_555 ? ? ? ? ? ? ? 1.453 ? covale3 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? B NAG 175 B NAG 176 1_555 ? ? ? ? ? ? ? 1.453 ? covale4 covale ? ? B ASN 154 ND2 ? ? ? 1_555 G NAG . C1 ? ? B ASN 154 B NAG 175 1_555 ? ? ? ? ? ? ? 1.456 ? covale5 covale ? ? A ASN 166 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 169 A NAG 330 1_555 ? ? ? ? ? ? ? 1.460 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 2 ? C ? 2 ? D ? 3 ? E ? 2 ? F ? 3 ? G ? 5 ? H ? 5 ? I ? 2 ? J ? 4 ? K ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel E 1 2 ? parallel F 1 2 ? parallel F 2 3 ? parallel G 1 2 ? parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel G 4 5 ? anti-parallel H 1 2 ? parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel H 4 5 ? anti-parallel I 1 2 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 SER B 32 ? ALA B 36 ? SER B 32 ALA B 36 A 2 TYR B 22 ? SER B 27 ? TYR B 22 SER B 27 A 3 GLN A 4 ? TYR A 9 ? GLN A 12 TYR A 17 A 4 CYS B 137 ? PHE B 140 ? CYS B 137 PHE B 140 A 5 VAL B 130 ? GLU B 132 ? VAL B 130 GLU B 132 B 1 LYS A 17 ? VAL A 18 ? LYS A 25 VAL A 26 B 2 VAL A 26 ? THR A 27 ? VAL A 34 THR A 35 C 1 ALA A 31 ? ASP A 33 ? ALA A 39 ASP A 41 C 2 VAL A 313 ? ALA A 315 ? VAL A 315 ALA A 317 D 1 LEU A 35 ? GLU A 36 ? LEU A 43 GLU A 44 D 2 PHE A 292 ? HIS A 293 ? PHE A 294 HIS A 295 D 3 LYS A 305 ? TYR A 306 ? LYS A 307 TYR A 308 E 1 LEU A 43 ? LEU A 46 A LEU A 51 LEU A 53 E 2 LEU A 272 ? THR A 277 ? LEU A 274 THR A 279 F 1 LEU A 52 ? GLU A 53 ? LEU A 59 GLU A 60 F 2 ILE A 81 ? GLU A 83 ? ILE A 87 GLU A 89 F 3 ILE A 265 ? LYS A 267 ? ILE A 267 LYS A 269 G 1 GLY A 95 ? PHE A 97 ? GLY A 100 PHE A 102 G 2 ARG A 226 ? LEU A 234 ? ARG A 229 LEU A 237 G 3 MET A 173 ? HIS A 181 ? MET A 176 HIS A 184 G 4 GLY A 254 ? ARG A 260 ? GLY A 257 ARG A 263 G 5 VAL A 110 ? VAL A 116 ? VAL A 115 VAL A 118 H 1 GLY A 95 ? PHE A 97 ? GLY A 100 PHE A 102 H 2 ARG A 226 ? LEU A 234 ? ARG A 229 LEU A 237 H 3 MET A 173 ? HIS A 181 ? MET A 176 HIS A 184 H 4 LEU A 248 ? PRO A 251 ? LEU A 251 PRO A 254 H 5 MET A 148 ? TRP A 150 ? MET A 151 TRP A 153 I 1 SER A 133 ? VAL A 138 ? SER A 136 VAL A 141 I 2 ASN A 141 ? SER A 143 ? ASN A 144 SER A 146 J 1 ALA A 161 ? ASN A 166 ? ALA A 164 ASN A 169 J 2 THR A 239 ? SER A 244 ? THR A 242 SER A 247 J 3 VAL A 199 ? GLY A 202 ? VAL A 202 GLY A 205 J 4 ASN A 207 ? SER A 210 ? ASN A 210 SER A 213 K 1 GLY A 284 ? ALA A 285 ? GLY A 286 ALA A 287 K 2 CYS A 279 ? THR A 281 ? CYS A 281 THR A 283 K 3 ILE A 300 ? GLY A 301 ? ILE A 302 GLY A 303 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O ALA B 35 ? O ALA B 35 N TYR B 24 ? N TYR B 24 A 2 3 O SER B 27 ? O SER B 27 N GLN A 4 ? N GLN A 12 A 3 4 N ILE A 5 ? N ILE A 13 O PHE B 138 ? O PHE B 138 A 4 5 O GLU B 139 ? O GLU B 139 N LYS B 131 ? N LYS B 131 B 1 2 N VAL A 18 ? N VAL A 26 O VAL A 26 ? O VAL A 34 C 1 2 N LYS A 32 ? N LYS A 40 O LEU A 314 ? O LEU A 316 D 1 2 N GLU A 36 ? N GLU A 44 O PHE A 292 ? O PHE A 294 D 2 3 N HIS A 293 ? N HIS A 295 O LYS A 305 ? O LYS A 307 E 1 2 N LYS A 45 ? N LYS A 53 O CYS A 275 ? O CYS A 277 F 1 2 N LEU A 52 ? N LEU A 59 O MET A 82 ? O MET A 88 F 2 3 N ILE A 81 ? N ILE A 87 O MET A 266 ? O MET A 268 G 1 2 N SER A 96 ? N SER A 101 O PHE A 229 ? O PHE A 232 G 2 3 O ARG A 226 ? O ARG A 229 N HIS A 181 ? N HIS A 184 G 3 4 N LEU A 174 ? N LEU A 177 O PHE A 255 ? O PHE A 258 G 4 5 O LYS A 259 ? O LYS A 262 N LYS A 111 ? N LYS A 116 H 1 2 N SER A 96 ? N SER A 101 O PHE A 229 ? O PHE A 232 H 2 3 O ARG A 226 ? O ARG A 229 N HIS A 181 ? N HIS A 184 H 3 4 N GLY A 178 ? N GLY A 181 O ILE A 249 ? O ILE A 252 H 4 5 O ALA A 250 ? O ALA A 253 N VAL A 149 ? N VAL A 152 I 1 2 N SER A 133 ? N SER A 136 O SER A 143 ? O SER A 146 J 1 2 N GLY A 163 ? N GLY A 166 O PHE A 242 ? O PHE A 245 J 2 3 O GLU A 243 ? O GLU A 246 N SER A 200 ? N SER A 203 J 3 4 N VAL A 199 ? N VAL A 202 O SER A 210 ? O SER A 213 K 1 2 O GLY A 284 ? O GLY A 286 N THR A 281 ? N THR A 283 K 2 3 N GLN A 280 ? N GLN A 282 O ILE A 300 ? O ILE A 302 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 330' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 331' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 332' AC4 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE EDO A 1' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG B 175' AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG B 176' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE PEG B 177' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 ASN A 166 ? ASN A 169 . ? 1_555 ? 2 AC1 5 TRP A 237 ? TRP A 240 . ? 1_555 ? 3 AC1 5 NAG D . ? NAG A 331 . ? 1_555 ? 4 AC1 5 HOH J . ? HOH A 410 . ? 1_555 ? 5 AC1 5 HOH J . ? HOH A 445 . ? 1_555 ? 6 AC2 1 NAG C . ? NAG A 330 . ? 1_555 ? 7 AC3 2 LYS A 17 ? LYS A 25 . ? 1_555 ? 8 AC3 2 ASN A 25 ? ASN A 33 . ? 1_555 ? 9 AC4 7 LEU A 119 ? LEU A 121 . ? 1_555 ? 10 AC4 7 PRO A 120 ? PRO A 122 . ? 1_555 ? 11 AC4 7 ARG A 123 ? ARG A 126 . ? 1_555 ? 12 AC4 7 TRP A 124 ? TRP A 127 . ? 1_555 ? 13 AC4 7 HOH J . ? HOH A 425 . ? 1_555 ? 14 AC4 7 HOH J . ? HOH A 557 . ? 1_555 ? 15 AC4 7 HOH J . ? HOH A 597 . ? 1_555 ? 16 AC5 6 GLU B 147 ? GLU B 147 . ? 1_555 ? 17 AC5 6 ASN B 150 ? ASN B 150 . ? 1_555 ? 18 AC5 6 ASN B 154 ? ASN B 154 . ? 1_555 ? 19 AC5 6 THR B 156 ? THR B 156 . ? 1_555 ? 20 AC5 6 NAG H . ? NAG B 176 . ? 1_555 ? 21 AC5 6 HOH K . ? HOH B 348 . ? 1_555 ? 22 AC6 4 GLY A 155 ? GLY A 158 . ? 5_554 ? 23 AC6 4 SER A 156 ? SER A 159 . ? 5_554 ? 24 AC6 4 GLU B 147 ? GLU B 147 . ? 1_555 ? 25 AC6 4 NAG G . ? NAG B 175 . ? 1_555 ? 26 AC7 3 TRP B 14 ? TRP B 14 . ? 1_555 ? 27 AC7 3 HIS B 25 ? HIS B 25 . ? 1_555 ? 28 AC7 3 CYS B 137 ? CYS B 137 . ? 1_555 ? # _atom_sites.entry_id 3KU3 _atom_sites.fract_transf_matrix[1][1] 0.014234 _atom_sites.fract_transf_matrix[1][2] 0.008218 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.016437 _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] 0.004222 _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 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 . PRO A 1 1 ? -27.875 3.208 -48.785 1.00 23.51 ? 9 PRO A N 1 ATOM 2 C CA . PRO A 1 1 ? -27.619 3.434 -47.364 1.00 23.07 ? 9 PRO A CA 1 ATOM 3 C C . PRO A 1 1 ? -26.147 3.776 -47.094 1.00 22.63 ? 9 PRO A C 1 ATOM 4 O O . PRO A 1 1 ? -25.246 2.952 -47.473 1.00 22.87 ? 9 PRO A O 1 ATOM 5 C CB . PRO A 1 1 ? -28.000 2.092 -46.713 1.00 23.36 ? 9 PRO A CB 1 ATOM 6 C CG . PRO A 1 1 ? -27.998 1.093 -47.834 1.00 23.40 ? 9 PRO A CG 1 ATOM 7 C CD . PRO A 1 1 ? -28.416 1.861 -49.050 1.00 23.57 ? 9 PRO A CD 1 ATOM 8 N N . GLY A 1 2 ? -25.911 4.988 -46.433 1.00 21.64 ? 10 GLY A N 1 ATOM 9 C CA . GLY A 1 2 ? -24.545 5.488 -46.249 1.00 20.25 ? 10 GLY A CA 1 ATOM 10 C C . GLY A 1 2 ? -23.902 5.261 -44.882 1.00 19.06 ? 10 GLY A C 1 ATOM 11 O O . GLY A 1 2 ? -24.467 4.581 -44.013 1.00 18.63 ? 10 GLY A O 1 ATOM 12 N N . ASP A 1 3 ? -22.700 5.837 -44.710 1.00 17.98 ? 11 ASP A N 1 ATOM 13 C CA . ASP A 1 3 ? -21.971 5.802 -43.451 1.00 17.13 ? 11 ASP A CA 1 ATOM 14 C C . ASP A 1 3 ? -22.848 6.438 -42.370 1.00 16.37 ? 11 ASP A C 1 ATOM 15 O O . ASP A 1 3 ? -23.685 7.300 -42.629 1.00 15.60 ? 11 ASP A O 1 ATOM 16 C CB . ASP A 1 3 ? -20.632 6.552 -43.562 1.00 17.17 ? 11 ASP A CB 1 ATOM 17 C CG . ASP A 1 3 ? -19.725 5.994 -44.665 1.00 18.33 ? 11 ASP A CG 1 ATOM 18 O OD1 . ASP A 1 3 ? -19.868 4.805 -45.049 1.00 18.78 ? 11 ASP A OD1 1 ATOM 19 O OD2 . ASP A 1 3 ? -18.863 6.763 -45.157 1.00 18.73 ? 11 ASP A OD2 1 ATOM 20 N N . GLN A 1 4 ? -22.654 5.994 -41.131 1.00 15.89 ? 12 GLN A N 1 ATOM 21 C CA . GLN A 1 4 ? -23.464 6.449 -40.008 1.00 15.96 ? 12 GLN A CA 1 ATOM 22 C C . GLN A 1 4 ? -22.624 6.779 -38.788 1.00 15.47 ? 12 GLN A C 1 ATOM 23 O O . GLN A 1 4 ? -21.579 6.164 -38.553 1.00 15.61 ? 12 GLN A O 1 ATOM 24 C CB . GLN A 1 4 ? -24.476 5.376 -39.606 1.00 15.91 ? 12 GLN A CB 1 ATOM 25 C CG . GLN A 1 4 ? -25.778 5.369 -40.431 1.00 16.56 ? 12 GLN A CG 1 ATOM 26 C CD . GLN A 1 4 ? -26.854 4.471 -39.805 1.00 16.43 ? 12 GLN A CD 1 ATOM 27 O OE1 . GLN A 1 4 ? -26.870 4.232 -38.582 1.00 16.92 ? 12 GLN A OE1 1 ATOM 28 N NE2 . GLN A 1 4 ? -27.766 3.972 -40.653 1.00 16.42 ? 12 GLN A NE2 1 ATOM 29 N N . ILE A 1 5 ? -23.104 7.742 -37.994 1.00 15.29 ? 13 ILE A N 1 ATOM 30 C CA . ILE A 1 5 ? -22.618 7.921 -36.638 1.00 14.72 ? 13 ILE A CA 1 ATOM 31 C C . ILE A 1 5 ? -23.828 7.997 -35.691 1.00 14.07 ? 13 ILE A C 1 ATOM 32 O O . ILE A 1 5 ? -24.873 8.554 -36.063 1.00 12.68 ? 13 ILE A O 1 ATOM 33 C CB . ILE A 1 5 ? -21.657 9.142 -36.487 1.00 15.13 ? 13 ILE A CB 1 ATOM 34 C CG1 . ILE A 1 5 ? -20.852 9.032 -35.184 1.00 15.53 ? 13 ILE A CG1 1 ATOM 35 C CG2 . ILE A 1 5 ? -22.398 10.488 -36.672 1.00 15.22 ? 13 ILE A CG2 1 ATOM 36 C CD1 . ILE A 1 5 ? -19.736 10.063 -35.004 1.00 15.25 ? 13 ILE A CD1 1 ATOM 37 N N . CYS A 1 6 ? -23.688 7.364 -34.513 1.00 13.84 ? 14 CYS A N 1 ATOM 38 C CA . CYS A 1 6 ? -24.771 7.269 -33.515 1.00 14.14 ? 14 CYS A CA 1 ATOM 39 C C . CYS A 1 6 ? -24.301 7.786 -32.168 1.00 12.82 ? 14 CYS A C 1 ATOM 40 O O . CYS A 1 6 ? -23.156 7.559 -31.772 1.00 11.67 ? 14 CYS A O 1 ATOM 41 C CB . CYS A 1 6 ? -25.257 5.820 -33.313 1.00 15.30 ? 14 CYS A CB 1 ATOM 42 S SG . CYS A 1 6 ? -25.856 4.923 -34.786 1.00 21.17 ? 14 CYS A SG 1 ATOM 43 N N . ILE A 1 7 ? -25.212 8.442 -31.441 1.00 12.09 ? 15 ILE A N 1 ATOM 44 C CA . ILE A 1 7 ? -24.954 8.898 -30.078 1.00 11.05 ? 15 ILE A CA 1 ATOM 45 C C . ILE A 1 7 ? -25.591 7.903 -29.091 1.00 10.39 ? 15 ILE A C 1 ATOM 46 O O . ILE A 1 7 ? -26.700 7.429 -29.324 1.00 9.95 ? 15 ILE A O 1 ATOM 47 C CB . ILE A 1 7 ? -25.534 10.324 -29.812 1.00 11.28 ? 15 ILE A CB 1 ATOM 48 C CG1 . ILE A 1 7 ? -25.103 11.356 -30.871 1.00 12.66 ? 15 ILE A CG1 1 ATOM 49 C CG2 . ILE A 1 7 ? -25.213 10.808 -28.389 1.00 10.31 ? 15 ILE A CG2 1 ATOM 50 C CD1 . ILE A 1 7 ? -23.641 11.342 -31.310 1.00 15.77 ? 15 ILE A CD1 1 ATOM 51 N N . GLY A 1 8 ? -24.875 7.567 -28.034 1.00 9.85 ? 16 GLY A N 1 ATOM 52 C CA . GLY A 1 8 ? -25.421 6.675 -26.999 1.00 9.92 ? 16 GLY A CA 1 ATOM 53 C C . GLY A 1 8 ? -24.798 6.774 -25.618 1.00 10.68 ? 16 GLY A C 1 ATOM 54 O O . GLY A 1 8 ? -23.973 7.652 -25.331 1.00 9.94 ? 16 GLY A O 1 ATOM 55 N N . TYR A 1 9 ? -25.204 5.853 -24.748 1.00 11.80 ? 17 TYR A N 1 ATOM 56 C CA . TYR A 1 9 ? -24.789 5.873 -23.362 1.00 12.77 ? 17 TYR A CA 1 ATOM 57 C C . TYR A 1 9 ? -24.440 4.479 -22.847 1.00 13.86 ? 17 TYR A C 1 ATOM 58 O O . TYR A 1 9 ? -24.848 3.465 -23.430 1.00 14.14 ? 17 TYR A O 1 ATOM 59 C CB . TYR A 1 9 ? -25.877 6.510 -22.483 1.00 12.53 ? 17 TYR A CB 1 ATOM 60 C CG . TYR A 1 9 ? -27.261 5.949 -22.724 1.00 11.30 ? 17 TYR A CG 1 ATOM 61 C CD1 . TYR A 1 9 ? -27.735 4.867 -21.964 1.00 10.01 ? 17 TYR A CD1 1 ATOM 62 C CD2 . TYR A 1 9 ? -28.097 6.507 -23.669 1.00 12.52 ? 17 TYR A CD2 1 ATOM 63 C CE1 . TYR A 1 9 ? -29.009 4.354 -22.184 1.00 11.57 ? 17 TYR A CE1 1 ATOM 64 C CE2 . TYR A 1 9 ? -29.365 6.000 -23.908 1.00 12.58 ? 17 TYR A CE2 1 ATOM 65 C CZ . TYR A 1 9 ? -29.813 4.927 -23.140 1.00 11.50 ? 17 TYR A CZ 1 ATOM 66 O OH . TYR A 1 9 ? -31.081 4.454 -23.419 1.00 13.77 ? 17 TYR A OH 1 ATOM 67 N N . HIS A 1 10 ? -23.692 4.471 -21.755 1.00 15.07 ? 18 HIS A N 1 ATOM 68 C CA . HIS A 1 10 ? -23.151 3.287 -21.110 1.00 16.88 ? 18 HIS A CA 1 ATOM 69 C C . HIS A 1 10 ? -24.247 2.441 -20.450 1.00 17.80 ? 18 HIS A C 1 ATOM 70 O O . HIS A 1 10 ? -25.169 2.969 -19.810 1.00 17.80 ? 18 HIS A O 1 ATOM 71 C CB . HIS A 1 10 ? -22.128 3.767 -20.073 1.00 17.35 ? 18 HIS A CB 1 ATOM 72 C CG . HIS A 1 10 ? -21.488 2.690 -19.260 1.00 18.93 ? 18 HIS A CG 1 ATOM 73 N ND1 . HIS A 1 10 ? -20.454 1.912 -19.736 1.00 19.98 ? 18 HIS A ND1 1 ATOM 74 C CD2 . HIS A 1 10 ? -21.689 2.307 -17.978 1.00 20.82 ? 18 HIS A CD2 1 ATOM 75 C CE1 . HIS A 1 10 ? -20.071 1.072 -18.789 1.00 20.58 ? 18 HIS A CE1 1 ATOM 76 N NE2 . HIS A 1 10 ? -20.799 1.295 -17.712 1.00 21.81 ? 18 HIS A NE2 1 ATOM 77 N N . ALA A 1 11 ? -24.148 1.128 -20.641 1.00 18.25 ? 19 ALA A N 1 ATOM 78 C CA . ALA A 1 11 ? -24.856 0.160 -19.816 1.00 18.96 ? 19 ALA A CA 1 ATOM 79 C C . ALA A 1 11 ? -23.853 -0.886 -19.348 1.00 19.61 ? 19 ALA A C 1 ATOM 80 O O . ALA A 1 11 ? -22.776 -1.023 -19.939 1.00 19.80 ? 19 ALA A O 1 ATOM 81 C CB . ALA A 1 11 ? -25.995 -0.484 -20.581 1.00 18.77 ? 19 ALA A CB 1 ATOM 82 N N . ASN A 1 12 ? -24.197 -1.594 -18.274 1.00 20.03 ? 20 ASN A N 1 ATOM 83 C CA . ASN A 1 12 ? -23.351 -2.658 -17.726 1.00 21.00 ? 20 ASN A CA 1 ATOM 84 C C . ASN A 1 12 ? -24.182 -3.705 -16.987 1.00 21.74 ? 20 ASN A C 1 ATOM 85 O O . ASN A 1 12 ? -25.405 -3.740 -17.132 1.00 22.35 ? 20 ASN A O 1 ATOM 86 C CB . ASN A 1 12 ? -22.255 -2.080 -16.827 1.00 20.29 ? 20 ASN A CB 1 ATOM 87 C CG . ASN A 1 12 ? -22.823 -1.307 -15.652 1.00 20.48 ? 20 ASN A CG 1 ATOM 88 O OD1 . ASN A 1 12 ? -24.008 -1.419 -15.338 1.00 20.15 ? 20 ASN A OD1 1 ATOM 89 N ND2 . ASN A 1 12 ? -21.990 -0.509 -15.018 1.00 20.86 ? 20 ASN A ND2 1 ATOM 90 N N . ASN A 1 13 ? -23.519 -4.558 -16.208 1.00 23.41 ? 21 ASN A N 1 ATOM 91 C CA . ASN A 1 13 ? -24.189 -5.652 -15.503 1.00 24.73 ? 21 ASN A CA 1 ATOM 92 C C . ASN A 1 13 ? -24.712 -5.271 -14.116 1.00 25.09 ? 21 ASN A C 1 ATOM 93 O O . ASN A 1 13 ? -25.141 -6.145 -13.345 1.00 25.27 ? 21 ASN A O 1 ATOM 94 C CB . ASN A 1 13 ? -23.249 -6.869 -15.387 1.00 25.39 ? 21 ASN A CB 1 ATOM 95 C CG . ASN A 1 13 ? -21.945 -6.550 -14.652 1.00 27.44 ? 21 ASN A CG 1 ATOM 96 O OD1 . ASN A 1 13 ? -21.920 -5.758 -13.700 1.00 31.26 ? 21 ASN A OD1 1 ATOM 97 N ND2 . ASN A 1 13 ? -20.854 -7.184 -15.086 1.00 30.28 ? 21 ASN A ND2 1 ATOM 98 N N . SER A 1 14 ? -24.646 -3.977 -13.794 1.00 24.81 ? 22 SER A N 1 ATOM 99 C CA . SER A 1 14 ? -24.969 -3.508 -12.443 1.00 25.14 ? 22 SER A CA 1 ATOM 100 C C . SER A 1 14 ? -26.419 -3.810 -12.097 1.00 25.62 ? 22 SER A C 1 ATOM 101 O O . SER A 1 14 ? -27.310 -3.685 -12.938 1.00 25.11 ? 22 SER A O 1 ATOM 102 C CB . SER A 1 14 ? -24.663 -2.009 -12.294 1.00 24.56 ? 22 SER A CB 1 ATOM 103 O OG . SER A 1 14 ? -25.112 -1.491 -11.049 1.00 24.38 ? 22 SER A OG 1 ATOM 104 N N . THR A 1 15 ? -26.637 -4.219 -10.846 1.00 26.58 ? 23 THR A N 1 ATOM 105 C CA . THR A 1 15 ? -27.979 -4.472 -10.327 1.00 27.73 ? 23 THR A CA 1 ATOM 106 C C . THR A 1 15 ? -28.265 -3.521 -9.164 1.00 27.44 ? 23 THR A C 1 ATOM 107 O O . THR A 1 15 ? -29.268 -3.673 -8.466 1.00 28.07 ? 23 THR A O 1 ATOM 108 C CB . THR A 1 15 ? -28.127 -5.928 -9.828 1.00 27.88 ? 23 THR A CB 1 ATOM 109 O OG1 . THR A 1 15 ? -27.046 -6.232 -8.941 1.00 29.75 ? 23 THR A OG1 1 ATOM 110 C CG2 . THR A 1 15 ? -28.133 -6.914 -11.010 1.00 28.30 ? 23 THR A CG2 1 ATOM 111 N N . GLU A 1 16 ? -27.362 -2.559 -8.960 1.00 27.33 ? 24 GLU A N 1 ATOM 112 C CA . GLU A 1 16 ? -27.471 -1.547 -7.907 1.00 27.25 ? 24 GLU A CA 1 ATOM 113 C C . GLU A 1 16 ? -28.723 -0.718 -8.083 1.00 26.45 ? 24 GLU A C 1 ATOM 114 O O . GLU A 1 16 ? -28.993 -0.211 -9.170 1.00 25.65 ? 24 GLU A O 1 ATOM 115 C CB . GLU A 1 16 ? -26.257 -0.609 -7.922 1.00 27.83 ? 24 GLU A CB 1 ATOM 116 C CG . GLU A 1 16 ? -24.906 -1.304 -7.780 1.00 30.84 ? 24 GLU A CG 1 ATOM 117 C CD . GLU A 1 16 ? -24.769 -2.036 -6.459 1.00 34.85 ? 24 GLU A CD 1 ATOM 118 O OE1 . GLU A 1 16 ? -24.824 -1.363 -5.400 1.00 37.05 ? 24 GLU A OE1 1 ATOM 119 O OE2 . GLU A 1 16 ? -24.609 -3.279 -6.481 1.00 36.90 ? 24 GLU A OE2 1 ATOM 120 N N . LYS A 1 17 ? -29.474 -0.557 -6.997 1.00 25.44 ? 25 LYS A N 1 ATOM 121 C CA . LYS A 1 17 ? -30.722 0.182 -7.056 1.00 25.00 ? 25 LYS A CA 1 ATOM 122 C C . LYS A 1 17 ? -30.740 1.425 -6.190 1.00 23.85 ? 25 LYS A C 1 ATOM 123 O O . LYS A 1 17 ? -30.060 1.494 -5.153 1.00 24.41 ? 25 LYS A O 1 ATOM 124 C CB . LYS A 1 17 ? -31.910 -0.739 -6.777 1.00 25.41 ? 25 LYS A CB 1 ATOM 125 C CG . LYS A 1 17 ? -32.374 -1.409 -8.062 1.00 27.18 ? 25 LYS A CG 1 ATOM 126 C CD . LYS A 1 17 ? -33.012 -2.757 -7.834 1.00 30.82 ? 25 LYS A CD 1 ATOM 127 C CE . LYS A 1 17 ? -33.300 -3.451 -9.146 1.00 31.06 ? 25 LYS A CE 1 ATOM 128 N NZ . LYS A 1 17 ? -34.308 -2.716 -9.993 1.00 32.05 ? 25 LYS A NZ 1 ATOM 129 N N . VAL A 1 18 ? -31.505 2.413 -6.652 1.00 23.04 ? 26 VAL A N 1 ATOM 130 C CA . VAL A 1 18 ? -31.693 3.687 -5.961 1.00 22.00 ? 26 VAL A CA 1 ATOM 131 C C . VAL A 1 18 ? -33.159 4.125 -6.026 1.00 21.90 ? 26 VAL A C 1 ATOM 132 O O . VAL A 1 18 ? -33.918 3.659 -6.870 1.00 21.80 ? 26 VAL A O 1 ATOM 133 C CB . VAL A 1 18 ? -30.788 4.832 -6.523 1.00 21.98 ? 26 VAL A CB 1 ATOM 134 C CG1 . VAL A 1 18 ? -29.322 4.450 -6.471 1.00 21.85 ? 26 VAL A CG1 1 ATOM 135 C CG2 . VAL A 1 18 ? -31.199 5.218 -7.950 1.00 20.44 ? 26 VAL A CG2 1 ATOM 136 N N . ASP A 1 19 ? -33.552 5.030 -5.132 1.00 21.68 ? 27 ASP A N 1 ATOM 137 C CA . ASP A 1 19 ? -34.890 5.608 -5.192 1.00 22.09 ? 27 ASP A CA 1 ATOM 138 C C . ASP A 1 19 ? -34.795 7.085 -5.546 1.00 22.08 ? 27 ASP A C 1 ATOM 139 O O . ASP A 1 19 ? -33.769 7.733 -5.286 1.00 22.19 ? 27 ASP A O 1 ATOM 140 C CB . ASP A 1 19 ? -35.599 5.473 -3.837 1.00 22.67 ? 27 ASP A CB 1 ATOM 141 C CG . ASP A 1 19 ? -35.775 4.027 -3.386 1.00 24.08 ? 27 ASP A CG 1 ATOM 142 O OD1 . ASP A 1 19 ? -35.986 3.126 -4.226 1.00 26.28 ? 27 ASP A OD1 1 ATOM 143 O OD2 . ASP A 1 19 ? -35.716 3.797 -2.153 1.00 27.24 ? 27 ASP A OD2 1 ATOM 144 N N . THR A 1 20 ? -35.873 7.614 -6.109 1.00 22.14 ? 28 THR A N 1 ATOM 145 C CA . THR A 1 20 ? -36.023 9.049 -6.332 1.00 23.10 ? 28 THR A CA 1 ATOM 146 C C . THR A 1 20 ? -37.402 9.447 -5.802 1.00 24.00 ? 28 THR A C 1 ATOM 147 O O . THR A 1 20 ? -38.155 8.583 -5.360 1.00 23.98 ? 28 THR A O 1 ATOM 148 C CB . THR A 1 20 ? -35.900 9.411 -7.841 1.00 23.11 ? 28 THR A CB 1 ATOM 149 O OG1 . THR A 1 20 ? -37.060 8.961 -8.540 1.00 22.77 ? 28 THR A OG1 1 ATOM 150 C CG2 . THR A 1 20 ? -34.662 8.772 -8.463 1.00 23.01 ? 28 THR A CG2 1 ATOM 151 N N . ILE A 1 21 ? -37.740 10.737 -5.856 1.00 25.14 ? 29 ILE A N 1 ATOM 152 C CA . ILE A 1 21 ? -39.100 11.191 -5.520 1.00 26.09 ? 29 ILE A CA 1 ATOM 153 C C . ILE A 1 21 ? -40.117 10.544 -6.458 1.00 26.21 ? 29 ILE A C 1 ATOM 154 O O . ILE A 1 21 ? -41.192 10.101 -6.047 1.00 26.39 ? 29 ILE A O 1 ATOM 155 C CB . ILE A 1 21 ? -39.242 12.740 -5.633 1.00 26.58 ? 29 ILE A CB 1 ATOM 156 C CG1 . ILE A 1 21 ? -38.272 13.476 -4.699 1.00 26.43 ? 29 ILE A CG1 1 ATOM 157 C CG2 . ILE A 1 21 ? -40.705 13.200 -5.414 1.00 26.70 ? 29 ILE A CG2 1 ATOM 158 C CD1 . ILE A 1 21 ? -38.593 13.395 -3.215 1.00 27.40 ? 29 ILE A CD1 1 ATOM 159 N N . LEU A 1 22 ? -39.768 10.492 -7.738 1.00 26.42 ? 30 LEU A N 1 ATOM 160 C CA . LEU A 1 22 ? -40.703 10.108 -8.768 1.00 26.60 ? 30 LEU A CA 1 ATOM 161 C C . LEU A 1 22 ? -40.805 8.603 -8.998 1.00 26.69 ? 30 LEU A C 1 ATOM 162 O O . LEU A 1 22 ? -41.835 8.119 -9.461 1.00 26.14 ? 30 LEU A O 1 ATOM 163 C CB . LEU A 1 22 ? -40.295 10.797 -10.071 1.00 26.72 ? 30 LEU A CB 1 ATOM 164 C CG . LEU A 1 22 ? -41.317 11.211 -11.104 1.00 27.87 ? 30 LEU A CG 1 ATOM 165 C CD1 . LEU A 1 22 ? -42.383 12.159 -10.550 1.00 27.65 ? 30 LEU A CD1 1 ATOM 166 C CD2 . LEU A 1 22 ? -40.537 11.884 -12.206 1.00 28.08 ? 30 LEU A CD2 1 ATOM 167 N N . GLU A 1 23 ? -39.738 7.870 -8.683 1.00 27.28 ? 31 GLU A N 1 ATOM 168 C CA . GLU A 1 23 ? -39.658 6.448 -9.016 1.00 28.65 ? 31 GLU A CA 1 ATOM 169 C C . GLU A 1 23 ? -38.831 5.686 -7.996 1.00 28.91 ? 31 GLU A C 1 ATOM 170 O O . GLU A 1 23 ? -37.800 6.178 -7.534 1.00 29.36 ? 31 GLU A O 1 ATOM 171 C CB . GLU A 1 23 ? -39.045 6.269 -10.414 1.00 28.77 ? 31 GLU A CB 1 ATOM 172 C CG . GLU A 1 23 ? -39.256 4.891 -11.038 1.00 29.22 ? 31 GLU A CG 1 ATOM 173 C CD . GLU A 1 23 ? -38.726 4.791 -12.472 1.00 30.04 ? 31 GLU A CD 1 ATOM 174 O OE1 . GLU A 1 23 ? -38.489 5.847 -13.116 1.00 30.16 ? 31 GLU A OE1 1 ATOM 175 O OE2 . GLU A 1 23 ? -38.552 3.645 -12.952 1.00 30.72 ? 31 GLU A OE2 1 ATOM 176 N N . ARG A 1 24 ? -39.288 4.485 -7.654 1.00 29.39 ? 32 ARG A N 1 ATOM 177 C CA . ARG A 1 24 ? -38.597 3.620 -6.696 1.00 30.13 ? 32 ARG A CA 1 ATOM 178 C C . ARG A 1 24 ? -37.921 2.448 -7.406 1.00 29.74 ? 32 ARG A C 1 ATOM 179 O O . ARG A 1 24 ? -38.389 2.006 -8.459 1.00 29.99 ? 32 ARG A O 1 ATOM 180 C CB . ARG A 1 24 ? -39.602 3.061 -5.684 1.00 30.58 ? 32 ARG A CB 1 ATOM 181 C CG . ARG A 1 24 ? -40.104 4.042 -4.633 1.00 33.20 ? 32 ARG A CG 1 ATOM 182 C CD . ARG A 1 24 ? -41.386 3.498 -4.030 1.00 37.52 ? 32 ARG A CD 1 ATOM 183 N NE . ARG A 1 24 ? -41.521 3.802 -2.607 1.00 41.72 ? 32 ARG A NE 1 ATOM 184 C CZ . ARG A 1 24 ? -42.384 3.201 -1.790 1.00 42.91 ? 32 ARG A CZ 1 ATOM 185 N NH1 . ARG A 1 24 ? -43.202 2.257 -2.248 1.00 43.95 ? 32 ARG A NH1 1 ATOM 186 N NH2 . ARG A 1 24 ? -42.431 3.543 -0.510 1.00 44.05 ? 32 ARG A NH2 1 ATOM 187 N N . ASN A 1 25 ? -36.831 1.943 -6.824 1.00 29.20 ? 33 ASN A N 1 ATOM 188 C CA . ASN A 1 25 ? -36.207 0.699 -7.291 1.00 28.97 ? 33 ASN A CA 1 ATOM 189 C C . ASN A 1 25 ? -35.585 0.837 -8.697 1.00 27.07 ? 33 ASN A C 1 ATOM 190 O O . ASN A 1 25 ? -35.793 -0.012 -9.568 1.00 26.83 ? 33 ASN A O 1 ATOM 191 C CB . ASN A 1 25 ? -37.257 -0.428 -7.265 1.00 30.14 ? 33 ASN A CB 1 ATOM 192 C CG . ASN A 1 25 ? -36.652 -1.817 -7.129 1.00 34.92 ? 33 ASN A CG 1 ATOM 193 O OD1 . ASN A 1 25 ? -35.541 -1.984 -6.615 1.00 35.65 ? 33 ASN A OD1 1 ATOM 194 N ND2 . ASN A 1 25 ? -37.419 -2.830 -7.560 1.00 42.01 ? 33 ASN A ND2 1 ATOM 195 N N . VAL A 1 26 ? -34.832 1.912 -8.915 1.00 24.71 ? 34 VAL A N 1 ATOM 196 C CA . VAL A 1 26 ? -34.248 2.172 -10.235 1.00 22.24 ? 34 VAL A CA 1 ATOM 197 C C . VAL A 1 26 ? -32.855 1.567 -10.315 1.00 21.13 ? 34 VAL A C 1 ATOM 198 O O . VAL A 1 26 ? -32.012 1.858 -9.481 1.00 20.44 ? 34 VAL A O 1 ATOM 199 C CB . VAL A 1 26 ? -34.156 3.685 -10.540 1.00 21.96 ? 34 VAL A CB 1 ATOM 200 C CG1 . VAL A 1 26 ? -33.502 3.933 -11.911 1.00 21.39 ? 34 VAL A CG1 1 ATOM 201 C CG2 . VAL A 1 26 ? -35.530 4.329 -10.489 1.00 22.29 ? 34 VAL A CG2 1 ATOM 202 N N . THR A 1 27 ? -32.605 0.747 -11.340 1.00 20.07 ? 35 THR A N 1 ATOM 203 C CA . THR A 1 27 ? -31.264 0.189 -11.529 1.00 19.39 ? 35 THR A CA 1 ATOM 204 C C . THR A 1 27 ? -30.377 1.232 -12.205 1.00 18.19 ? 35 THR A C 1 ATOM 205 O O . THR A 1 27 ? -30.760 1.814 -13.225 1.00 18.15 ? 35 THR A O 1 ATOM 206 C CB . THR A 1 27 ? -31.289 -1.125 -12.374 1.00 20.09 ? 35 THR A CB 1 ATOM 207 O OG1 . THR A 1 27 ? -32.164 -2.082 -11.756 1.00 22.73 ? 35 THR A OG1 1 ATOM 208 C CG2 . THR A 1 27 ? -29.902 -1.724 -12.482 1.00 18.67 ? 35 THR A CG2 1 ATOM 209 N N . VAL A 1 28 ? -29.204 1.451 -11.622 1.00 17.67 ? 36 VAL A N 1 ATOM 210 C CA . VAL A 1 28 ? -28.238 2.418 -12.144 1.00 16.75 ? 36 VAL A CA 1 ATOM 211 C C . VAL A 1 28 ? -26.904 1.755 -12.449 1.00 16.57 ? 36 VAL A C 1 ATOM 212 O O . VAL A 1 28 ? -26.577 0.729 -11.864 1.00 16.89 ? 36 VAL A O 1 ATOM 213 C CB . VAL A 1 28 ? -28.022 3.619 -11.159 1.00 15.95 ? 36 VAL A CB 1 ATOM 214 C CG1 . VAL A 1 28 ? -29.282 4.486 -11.101 1.00 15.69 ? 36 VAL A CG1 1 ATOM 215 C CG2 . VAL A 1 28 ? -27.584 3.147 -9.759 1.00 17.07 ? 36 VAL A CG2 1 ATOM 216 N N . THR A 1 29 ? -26.129 2.356 -13.351 1.00 16.95 ? 37 THR A N 1 ATOM 217 C CA . THR A 1 29 ? -24.821 1.797 -13.740 1.00 16.97 ? 37 THR A CA 1 ATOM 218 C C . THR A 1 29 ? -23.783 1.856 -12.619 1.00 17.56 ? 37 THR A C 1 ATOM 219 O O . THR A 1 29 ? -22.910 0.975 -12.510 1.00 17.60 ? 37 THR A O 1 ATOM 220 C CB . THR A 1 29 ? -24.257 2.494 -14.993 1.00 16.98 ? 37 THR A CB 1 ATOM 221 O OG1 . THR A 1 29 ? -24.023 3.877 -14.711 1.00 16.29 ? 37 THR A OG1 1 ATOM 222 C CG2 . THR A 1 29 ? -25.227 2.389 -16.154 1.00 16.00 ? 37 THR A CG2 1 ATOM 223 N N . HIS A 1 30 ? -23.885 2.900 -11.788 1.00 17.44 ? 38 HIS A N 1 ATOM 224 C CA . HIS A 1 30 ? -22.961 3.143 -10.662 1.00 18.28 ? 38 HIS A CA 1 ATOM 225 C C . HIS A 1 30 ? -23.716 3.806 -9.526 1.00 18.07 ? 38 HIS A C 1 ATOM 226 O O . HIS A 1 30 ? -24.611 4.608 -9.748 1.00 16.54 ? 38 HIS A O 1 ATOM 227 C CB . HIS A 1 30 ? -21.812 4.077 -11.097 1.00 19.33 ? 38 HIS A CB 1 ATOM 228 C CG . HIS A 1 30 ? -21.024 3.571 -12.265 1.00 19.82 ? 38 HIS A CG 1 ATOM 229 N ND1 . HIS A 1 30 ? -21.395 3.800 -13.572 1.00 21.64 ? 38 HIS A ND1 1 ATOM 230 C CD2 . HIS A 1 30 ? -19.879 2.851 -12.320 1.00 21.24 ? 38 HIS A CD2 1 ATOM 231 C CE1 . HIS A 1 30 ? -20.518 3.234 -14.384 1.00 21.79 ? 38 HIS A CE1 1 ATOM 232 N NE2 . HIS A 1 30 ? -19.585 2.656 -13.647 1.00 20.77 ? 38 HIS A NE2 1 ATOM 233 N N . ALA A 1 31 ? -23.321 3.493 -8.303 1.00 18.67 ? 39 ALA A N 1 ATOM 234 C CA . ALA A 1 31 ? -23.997 4.035 -7.122 1.00 19.76 ? 39 ALA A CA 1 ATOM 235 C C . ALA A 1 31 ? -23.005 4.090 -5.976 1.00 20.57 ? 39 ALA A C 1 ATOM 236 O O . ALA A 1 31 ? -21.979 3.424 -6.022 1.00 20.95 ? 39 ALA A O 1 ATOM 237 C CB . ALA A 1 31 ? -25.188 3.171 -6.753 1.00 19.57 ? 39 ALA A CB 1 ATOM 238 N N . LYS A 1 32 ? -23.317 4.896 -4.959 1.00 21.38 ? 40 LYS A N 1 ATOM 239 C CA . LYS A 1 32 ? -22.492 5.012 -3.754 1.00 22.60 ? 40 LYS A CA 1 ATOM 240 C C . LYS A 1 32 ? -23.345 4.839 -2.498 1.00 22.73 ? 40 LYS A C 1 ATOM 241 O O . LYS A 1 32 ? -24.211 5.663 -2.187 1.00 22.75 ? 40 LYS A O 1 ATOM 242 C CB . LYS A 1 32 ? -21.711 6.338 -3.726 1.00 22.94 ? 40 LYS A CB 1 ATOM 243 C CG . LYS A 1 32 ? -20.759 6.548 -2.524 1.00 25.15 ? 40 LYS A CG 1 ATOM 244 C CD . LYS A 1 32 ? -19.803 5.378 -2.323 1.00 30.01 ? 40 LYS A CD 1 ATOM 245 C CE . LYS A 1 32 ? -18.736 5.700 -1.287 1.00 33.37 ? 40 LYS A CE 1 ATOM 246 N NZ . LYS A 1 32 ? -17.673 4.642 -1.297 1.00 36.94 ? 40 LYS A NZ 1 ATOM 247 N N . ASP A 1 33 ? -23.081 3.748 -1.789 1.00 23.53 ? 41 ASP A N 1 ATOM 248 C CA . ASP A 1 33 ? -23.689 3.501 -0.495 1.00 23.73 ? 41 ASP A CA 1 ATOM 249 C C . ASP A 1 33 ? -22.981 4.401 0.524 1.00 23.65 ? 41 ASP A C 1 ATOM 250 O O . ASP A 1 33 ? -21.746 4.333 0.685 1.00 23.77 ? 41 ASP A O 1 ATOM 251 C CB . ASP A 1 33 ? -23.534 2.027 -0.149 1.00 25.25 ? 41 ASP A CB 1 ATOM 252 C CG . ASP A 1 33 ? -24.300 1.625 1.093 1.00 27.61 ? 41 ASP A CG 1 ATOM 253 O OD1 . ASP A 1 33 ? -24.827 2.512 1.811 1.00 26.90 ? 41 ASP A OD1 1 ATOM 254 O OD2 . ASP A 1 33 ? -24.374 0.398 1.335 1.00 30.47 ? 41 ASP A OD2 1 ATOM 255 N N . ILE A 1 34 ? -23.748 5.246 1.213 1.00 22.21 ? 42 ILE A N 1 ATOM 256 C CA . ILE A 1 34 ? -23.139 6.180 2.152 1.00 22.05 ? 42 ILE A CA 1 ATOM 257 C C . ILE A 1 34 ? -23.515 5.854 3.607 1.00 21.29 ? 42 ILE A C 1 ATOM 258 O O . ILE A 1 34 ? -23.287 6.668 4.494 1.00 21.88 ? 42 ILE A O 1 ATOM 259 C CB . ILE A 1 34 ? -23.441 7.676 1.797 1.00 22.14 ? 42 ILE A CB 1 ATOM 260 C CG1 . ILE A 1 34 ? -24.947 7.968 1.842 1.00 21.54 ? 42 ILE A CG1 1 ATOM 261 C CG2 . ILE A 1 34 ? -22.830 8.060 0.438 1.00 21.72 ? 42 ILE A CG2 1 ATOM 262 C CD1 . ILE A 1 34 ? -25.324 9.466 1.689 1.00 22.54 ? 42 ILE A CD1 1 ATOM 263 N N . LEU A 1 35 ? -24.062 4.654 3.833 1.00 20.81 ? 43 LEU A N 1 ATOM 264 C CA . LEU A 1 35 ? -24.506 4.245 5.170 1.00 21.11 ? 43 LEU A CA 1 ATOM 265 C C . LEU A 1 35 ? -23.788 3.004 5.719 1.00 21.02 ? 43 LEU A C 1 ATOM 266 O O . LEU A 1 35 ? -23.942 1.901 5.199 1.00 21.07 ? 43 LEU A O 1 ATOM 267 C CB . LEU A 1 35 ? -26.027 4.018 5.173 1.00 20.65 ? 43 LEU A CB 1 ATOM 268 C CG . LEU A 1 35 ? -26.687 3.619 6.504 1.00 22.59 ? 43 LEU A CG 1 ATOM 269 C CD1 . LEU A 1 35 ? -26.685 4.801 7.445 1.00 22.21 ? 43 LEU A CD1 1 ATOM 270 C CD2 . LEU A 1 35 ? -28.097 3.092 6.345 1.00 21.51 ? 43 LEU A CD2 1 ATOM 271 N N . GLU A 1 36 ? -23.032 3.181 6.805 1.00 20.51 ? 44 GLU A N 1 ATOM 272 C CA . GLU A 1 36 ? -22.395 2.050 7.479 1.00 21.07 ? 44 GLU A CA 1 ATOM 273 C C . GLU A 1 36 ? -23.420 1.319 8.346 1.00 21.37 ? 44 GLU A C 1 ATOM 274 O O . GLU A 1 36 ? -24.098 1.927 9.161 1.00 21.34 ? 44 GLU A O 1 ATOM 275 C CB . GLU A 1 36 ? -21.204 2.531 8.318 1.00 20.38 ? 44 GLU A CB 1 ATOM 276 C CG . GLU A 1 36 ? -20.386 1.390 8.961 1.00 23.12 ? 44 GLU A CG 1 ATOM 277 C CD . GLU A 1 36 ? -19.911 0.382 7.918 1.00 25.54 ? 44 GLU A CD 1 ATOM 278 O OE1 . GLU A 1 36 ? -19.099 0.767 7.051 1.00 28.88 ? 44 GLU A OE1 1 ATOM 279 O OE2 . GLU A 1 36 ? -20.387 -0.779 7.950 1.00 26.83 ? 44 GLU A OE2 1 ATOM 280 N N . LYS A 1 37 ? -23.535 0.008 8.150 1.00 21.70 ? 45 LYS A N 1 ATOM 281 C CA . LYS A 1 37 ? -24.518 -0.803 8.852 1.00 22.99 ? 45 LYS A CA 1 ATOM 282 C C . LYS A 1 37 ? -23.851 -1.855 9.757 1.00 23.42 ? 45 LYS A C 1 ATOM 283 O O . LYS A 1 37 ? -24.534 -2.563 10.503 1.00 25.17 ? 45 LYS A O 1 ATOM 284 C CB . LYS A 1 37 ? -25.448 -1.482 7.829 1.00 22.44 ? 45 LYS A CB 1 ATOM 285 C CG . LYS A 1 37 ? -26.168 -0.481 6.936 1.00 23.85 ? 45 LYS A CG 1 ATOM 286 C CD . LYS A 1 37 ? -26.861 -1.154 5.747 1.00 24.97 ? 45 LYS A CD 1 ATOM 287 C CE . LYS A 1 37 ? -25.958 -1.235 4.511 1.00 29.46 ? 45 LYS A CE 1 ATOM 288 N NZ . LYS A 1 37 ? -25.640 0.097 3.881 1.00 28.24 ? 45 LYS A NZ 1 ATOM 289 N N . THR A 1 38 ? -22.526 -1.936 9.705 1.00 23.72 ? 46 THR A N 1 ATOM 290 C CA . THR A 1 38 ? -21.808 -3.003 10.408 1.00 24.89 ? 46 THR A CA 1 ATOM 291 C C . THR A 1 38 ? -20.936 -2.495 11.563 1.00 25.06 ? 46 THR A C 1 ATOM 292 O O . THR A 1 38 ? -20.534 -1.328 11.604 1.00 24.77 ? 46 THR A O 1 ATOM 293 C CB . THR A 1 38 ? -20.947 -3.874 9.460 1.00 24.85 ? 46 THR A CB 1 ATOM 294 O OG1 . THR A 1 38 ? -19.797 -3.147 9.033 1.00 26.87 ? 46 THR A OG1 1 ATOM 295 C CG2 . THR A 1 38 ? -21.737 -4.285 8.231 1.00 24.66 ? 46 THR A CG2 1 ATOM 296 N N . HIS A 1 39 ? -20.677 -3.390 12.504 1.00 24.98 ? 47 HIS A N 1 ATOM 297 C CA . HIS A 1 39 ? -19.810 -3.093 13.651 1.00 24.44 ? 47 HIS A CA 1 ATOM 298 C C . HIS A 1 39 ? -19.185 -4.415 14.033 1.00 24.34 ? 47 HIS A C 1 ATOM 299 O O . HIS A 1 39 ? -19.588 -5.459 13.513 1.00 25.27 ? 47 HIS A O 1 ATOM 300 C CB . HIS A 1 39 ? -20.597 -2.495 14.809 1.00 24.58 ? 47 HIS A CB 1 ATOM 301 C CG . HIS A 1 39 ? -21.685 -3.382 15.330 1.00 25.68 ? 47 HIS A CG 1 ATOM 302 N ND1 . HIS A 1 39 ? -21.465 -4.340 16.298 1.00 27.48 ? 47 HIS A ND1 1 ATOM 303 C CD2 . HIS A 1 39 ? -22.994 -3.471 15.003 1.00 26.77 ? 47 HIS A CD2 1 ATOM 304 C CE1 . HIS A 1 39 ? -22.599 -4.971 16.552 1.00 30.88 ? 47 HIS A CE1 1 ATOM 305 N NE2 . HIS A 1 39 ? -23.543 -4.464 15.778 1.00 28.07 ? 47 HIS A NE2 1 ATOM 306 N N . ASN A 1 40 ? -18.184 -4.389 14.904 1.00 23.15 ? 48 ASN A N 1 ATOM 307 C CA . ASN A 1 40 ? -17.473 -5.646 15.221 1.00 22.71 ? 48 ASN A CA 1 ATOM 308 C C . ASN A 1 40 ? -17.976 -6.450 16.426 1.00 22.42 ? 48 ASN A C 1 ATOM 309 O O . ASN A 1 40 ? -17.397 -7.502 16.758 1.00 23.90 ? 48 ASN A O 1 ATOM 310 C CB . ASN A 1 40 ? -15.976 -5.406 15.326 1.00 22.85 ? 48 ASN A CB 1 ATOM 311 C CG . ASN A 1 40 ? -15.588 -4.637 16.578 1.00 21.75 ? 48 ASN A CG 1 ATOM 312 O OD1 . ASN A 1 40 ? -16.435 -4.283 17.397 1.00 23.20 ? 48 ASN A OD1 1 ATOM 313 N ND2 . ASN A 1 40 ? -14.289 -4.385 16.727 1.00 25.23 ? 48 ASN A ND2 1 ATOM 314 N N . GLY A 1 41 ? -19.026 -5.961 17.072 1.00 22.81 ? 49 GLY A N 1 ATOM 315 C CA . GLY A 1 41 ? -19.640 -6.655 18.204 1.00 23.17 ? 49 GLY A CA 1 ATOM 316 C C . GLY A 1 41 ? -18.807 -6.643 19.484 1.00 23.35 ? 49 GLY A C 1 ATOM 317 O O . GLY A 1 41 ? -19.126 -7.348 20.432 1.00 25.10 ? 49 GLY A O 1 ATOM 318 N N . LYS A 1 42 ? -17.766 -5.814 19.521 1.00 22.34 ? 50 LYS A N 1 ATOM 319 C CA . LYS A 1 42 ? -16.829 -5.811 20.654 1.00 21.70 ? 50 LYS A CA 1 ATOM 320 C C . LYS A 1 42 ? -16.719 -4.446 21.299 1.00 20.61 ? 50 LYS A C 1 ATOM 321 O O . LYS A 1 42 ? -16.900 -3.441 20.623 1.00 20.34 ? 50 LYS A O 1 ATOM 322 C CB . LYS A 1 42 ? -15.434 -6.225 20.188 1.00 21.64 ? 50 LYS A CB 1 ATOM 323 C CG . LYS A 1 42 ? -15.331 -7.680 19.696 1.00 24.12 ? 50 LYS A CG 1 ATOM 324 C CD . LYS A 1 42 ? -13.960 -7.930 19.133 1.00 25.39 ? 50 LYS A CD 1 ATOM 325 C CE . LYS A 1 42 ? -13.861 -9.282 18.456 1.00 28.38 ? 50 LYS A CE 1 ATOM 326 N NZ . LYS A 1 42 ? -12.481 -9.509 17.965 1.00 33.33 ? 50 LYS A NZ 1 ATOM 327 N N . LEU A 1 43 ? -16.409 -4.440 22.596 1.00 18.98 ? 51 LEU A N 1 ATOM 328 C CA . LEU A 1 43 ? -16.002 -3.233 23.301 1.00 19.93 ? 51 LEU A CA 1 ATOM 329 C C . LEU A 1 43 ? -14.481 -3.171 23.243 1.00 19.11 ? 51 LEU A C 1 ATOM 330 O O . LEU A 1 43 ? -13.814 -4.154 23.521 1.00 18.80 ? 51 LEU A O 1 ATOM 331 C CB . LEU A 1 43 ? -16.486 -3.301 24.749 1.00 20.01 ? 51 LEU A CB 1 ATOM 332 C CG . LEU A 1 43 ? -18.015 -3.375 24.865 1.00 22.54 ? 51 LEU A CG 1 ATOM 333 C CD1 . LEU A 1 43 ? -18.505 -3.780 26.242 1.00 27.81 ? 51 LEU A CD1 1 ATOM 334 C CD2 . LEU A 1 43 ? -18.625 -2.041 24.431 1.00 26.23 ? 51 LEU A CD2 1 ATOM 335 N N . CYS A 1 44 ? -13.946 -2.013 22.869 1.00 19.63 ? 52 CYS A N 1 ATOM 336 C CA . CYS A 1 44 ? -12.533 -1.904 22.495 1.00 20.16 ? 52 CYS A CA 1 ATOM 337 C C . CYS A 1 44 ? -11.844 -0.723 23.191 1.00 19.15 ? 52 CYS A C 1 ATOM 338 O O . CYS A 1 44 ? -12.499 0.159 23.732 1.00 19.72 ? 52 CYS A O 1 ATOM 339 C CB . CYS A 1 44 ? -12.442 -1.657 20.989 1.00 20.01 ? 52 CYS A CB 1 ATOM 340 S SG . CYS A 1 44 ? -13.194 -2.959 19.971 1.00 23.56 ? 52 CYS A SG 1 ATOM 341 N N . LYS A 1 45 ? -10.512 -0.695 23.122 1.00 19.84 ? 53 LYS A N 1 ATOM 342 C CA . LYS A 1 45 ? -9.809 0.535 23.459 1.00 20.65 ? 53 LYS A CA 1 ATOM 343 C C . LYS A 1 45 ? -10.204 1.597 22.452 1.00 21.92 ? 53 LYS A C 1 ATOM 344 O O . LYS A 1 45 ? -10.456 1.275 21.276 1.00 22.10 ? 53 LYS A O 1 ATOM 345 C CB . LYS A 1 45 ? -8.304 0.342 23.407 1.00 21.42 ? 53 LYS A CB 1 ATOM 346 C CG . LYS A 1 45 ? -7.810 -0.778 24.280 1.00 22.56 ? 53 LYS A CG 1 ATOM 347 C CD . LYS A 1 45 ? -6.285 -0.951 24.156 1.00 27.68 ? 53 LYS A CD 1 ATOM 348 C CE . LYS A 1 45 ? -5.931 -1.700 22.880 1.00 32.44 ? 53 LYS A CE 1 ATOM 349 N NZ . LYS A 1 45 ? -6.381 -3.113 22.907 1.00 34.05 ? 53 LYS A NZ 1 ATOM 350 N N . LEU A 1 46 A -10.223 2.855 22.891 1.00 21.83 ? 53 LEU A N 1 ATOM 351 C CA . LEU A 1 46 A -10.562 3.963 22.031 1.00 23.67 ? 53 LEU A CA 1 ATOM 352 C C . LEU A 1 46 A -9.275 4.736 21.817 1.00 24.56 ? 53 LEU A C 1 ATOM 353 O O . LEU A 1 46 A -8.746 5.309 22.765 1.00 23.80 ? 53 LEU A O 1 ATOM 354 C CB . LEU A 1 46 A -11.615 4.855 22.699 1.00 24.10 ? 53 LEU A CB 1 ATOM 355 C CG . LEU A 1 46 A -12.247 5.953 21.833 1.00 24.82 ? 53 LEU A CG 1 ATOM 356 C CD1 . LEU A 1 46 A -12.960 5.342 20.636 1.00 25.91 ? 53 LEU A CD1 1 ATOM 357 C CD2 . LEU A 1 46 A -13.202 6.779 22.648 1.00 26.45 ? 53 LEU A CD2 1 ATOM 358 N N . ASN A 1 47 ? -8.771 4.723 20.582 1.00 25.90 ? 54 ASN A N 1 ATOM 359 C CA . ASN A 1 47 ? -7.462 5.311 20.276 1.00 26.96 ? 54 ASN A CA 1 ATOM 360 C C . ASN A 1 47 ? -6.366 4.850 21.221 1.00 26.80 ? 54 ASN A C 1 ATOM 361 O O . ASN A 1 47 ? -5.548 5.673 21.676 1.00 28.46 ? 54 ASN A O 1 ATOM 362 C CB . ASN A 1 47 ? -7.511 6.832 20.298 1.00 28.72 ? 54 ASN A CB 1 ATOM 363 C CG . ASN A 1 47 ? -8.626 7.381 19.477 1.00 31.02 ? 54 ASN A CG 1 ATOM 364 O OD1 . ASN A 1 47 ? -9.443 8.163 19.964 1.00 37.70 ? 54 ASN A OD1 1 ATOM 365 N ND2 . ASN A 1 47 ? -8.693 6.964 18.217 1.00 35.45 ? 54 ASN A ND2 1 ATOM 366 N N . GLY A 1 48 ? -6.368 3.564 21.554 1.00 25.18 ? 55 GLY A N 1 ATOM 367 C CA . GLY A 1 48 ? -5.325 2.986 22.362 1.00 25.03 ? 55 GLY A CA 1 ATOM 368 C C . GLY A 1 48 ? -5.539 3.129 23.859 1.00 24.24 ? 55 GLY A C 1 ATOM 369 O O . GLY A 1 48 ? -4.765 2.574 24.631 1.00 24.91 ? 55 GLY A O 1 ATOM 370 N N . ILE A 1 49 ? -6.583 3.863 24.272 1.00 22.86 ? 56 ILE A N 1 ATOM 371 C CA . ILE A 1 49 ? -6.839 4.075 25.710 1.00 21.32 ? 56 ILE A CA 1 ATOM 372 C C . ILE A 1 49 ? -8.030 3.233 26.156 1.00 20.91 ? 56 ILE A C 1 ATOM 373 O O . ILE A 1 49 ? -9.100 3.376 25.589 1.00 20.23 ? 56 ILE A O 1 ATOM 374 C CB . ILE A 1 49 ? -7.114 5.557 26.033 1.00 22.04 ? 56 ILE A CB 1 ATOM 375 C CG1 . ILE A 1 49 ? -5.932 6.433 25.578 1.00 24.41 ? 56 ILE A CG1 1 ATOM 376 C CG2 . ILE A 1 49 ? -7.384 5.731 27.538 1.00 22.34 ? 56 ILE A CG2 1 ATOM 377 C CD1 . ILE A 1 49 ? -6.175 7.911 25.708 1.00 26.63 ? 56 ILE A CD1 1 ATOM 378 N N . PRO A 1 50 ? -7.837 2.337 27.131 1.00 20.16 ? 57 PRO A N 1 ATOM 379 C CA . PRO A 1 50 ? -8.948 1.457 27.503 1.00 19.94 ? 57 PRO A CA 1 ATOM 380 C C . PRO A 1 50 ? -10.013 2.160 28.303 1.00 18.23 ? 57 PRO A C 1 ATOM 381 O O . PRO A 1 50 ? -9.763 3.155 28.971 1.00 19.52 ? 57 PRO A O 1 ATOM 382 C CB . PRO A 1 50 ? -8.313 0.384 28.386 1.00 19.65 ? 57 PRO A CB 1 ATOM 383 C CG . PRO A 1 50 ? -6.820 0.619 28.342 1.00 21.87 ? 57 PRO A CG 1 ATOM 384 C CD . PRO A 1 50 ? -6.595 2.020 27.877 1.00 19.95 ? 57 PRO A CD 1 ATOM 385 N N . PRO A 1 51 ? -11.233 1.654 28.227 1.00 18.95 ? 58 PRO A N 1 ATOM 386 C CA . PRO A 1 51 ? -12.278 2.156 29.112 1.00 18.47 ? 58 PRO A CA 1 ATOM 387 C C . PRO A 1 51 ? -12.016 1.686 30.556 1.00 18.39 ? 58 PRO A C 1 ATOM 388 O O . PRO A 1 51 ? -11.177 0.798 30.800 1.00 19.04 ? 58 PRO A O 1 ATOM 389 C CB . PRO A 1 51 ? -13.560 1.496 28.558 1.00 18.32 ? 58 PRO A CB 1 ATOM 390 C CG . PRO A 1 51 ? -13.050 0.197 27.936 1.00 18.62 ? 58 PRO A CG 1 ATOM 391 C CD . PRO A 1 51 ? -11.688 0.566 27.342 1.00 19.49 ? 58 PRO A CD 1 ATOM 392 N N . LEU A 1 52 ? -12.739 2.316 31.483 1.00 18.38 ? 59 LEU A N 1 ATOM 393 C CA . LEU A 1 52 ? -12.798 1.880 32.868 1.00 18.42 ? 59 LEU A CA 1 ATOM 394 C C . LEU A 1 52 ? -13.938 0.873 32.874 1.00 18.50 ? 59 LEU A C 1 ATOM 395 O O . LEU A 1 52 ? -15.072 1.256 32.601 1.00 19.49 ? 59 LEU A O 1 ATOM 396 C CB . LEU A 1 52 ? -13.103 3.058 33.796 1.00 18.67 ? 59 LEU A CB 1 ATOM 397 C CG . LEU A 1 52 ? -13.499 2.753 35.251 1.00 18.99 ? 59 LEU A CG 1 ATOM 398 C CD1 . LEU A 1 52 ? -12.403 1.883 35.882 1.00 21.38 ? 59 LEU A CD1 1 ATOM 399 C CD2 . LEU A 1 52 ? -13.636 4.086 35.938 1.00 19.01 ? 59 LEU A CD2 1 ATOM 400 N N . GLU A 1 53 ? -13.624 -0.395 33.156 1.00 18.37 ? 60 GLU A N 1 ATOM 401 C CA . GLU A 1 53 ? -14.634 -1.451 33.211 1.00 18.87 ? 60 GLU A CA 1 ATOM 402 C C . GLU A 1 53 ? -15.070 -1.620 34.669 1.00 18.81 ? 60 GLU A C 1 ATOM 403 O O . GLU A 1 53 ? -14.318 -2.164 35.482 1.00 19.75 ? 60 GLU A O 1 ATOM 404 C CB . GLU A 1 53 ? -14.100 -2.776 32.649 1.00 19.06 ? 60 GLU A CB 1 ATOM 405 C CG . GLU A 1 53 ? -15.198 -3.865 32.645 1.00 20.93 ? 60 GLU A CG 1 ATOM 406 C CD . GLU A 1 53 ? -14.879 -5.049 31.778 1.00 24.46 ? 60 GLU A CD 1 ATOM 407 O OE1 . GLU A 1 53 ? -13.993 -4.969 30.895 1.00 24.31 ? 60 GLU A OE1 1 ATOM 408 O OE2 . GLU A 1 53 ? -15.538 -6.092 32.014 1.00 26.04 ? 60 GLU A OE2 1 ATOM 409 N N . LEU A 1 54 ? -16.268 -1.145 35.008 1.00 19.51 ? 61 LEU A N 1 ATOM 410 C CA . LEU A 1 54 ? -16.748 -1.252 36.407 1.00 18.64 ? 61 LEU A CA 1 ATOM 411 C C . LEU A 1 54 ? -17.146 -2.654 36.835 1.00 19.58 ? 61 LEU A C 1 ATOM 412 O O . LEU A 1 54 ? -17.201 -2.929 38.033 1.00 20.23 ? 61 LEU A O 1 ATOM 413 C CB . LEU A 1 54 ? -17.950 -0.333 36.617 1.00 18.67 ? 61 LEU A CB 1 ATOM 414 C CG . LEU A 1 54 ? -17.610 1.158 36.455 1.00 18.64 ? 61 LEU A CG 1 ATOM 415 C CD1 . LEU A 1 54 ? -18.889 1.946 36.578 1.00 18.99 ? 61 LEU A CD1 1 ATOM 416 C CD2 . LEU A 1 54 ? -16.558 1.616 37.467 1.00 21.23 ? 61 LEU A CD2 1 ATOM 417 N N . GLY A 1 55 ? -17.423 -3.521 35.863 1.00 19.81 ? 62 GLY A N 1 ATOM 418 C CA . GLY A 1 55 ? -17.833 -4.912 36.172 1.00 19.44 ? 62 GLY A CA 1 ATOM 419 C C . GLY A 1 55 ? -19.163 -4.889 36.877 1.00 18.96 ? 62 GLY A C 1 ATOM 420 O O . GLY A 1 55 ? -20.132 -4.370 36.326 1.00 20.57 ? 62 GLY A O 1 ATOM 421 N N . ASP A 1 56 ? -19.201 -5.458 38.095 1.00 19.60 ? 63 ASP A N 1 ATOM 422 C CA . ASP A 1 56 ? -20.454 -5.475 38.849 1.00 19.43 ? 63 ASP A CA 1 ATOM 423 C C . ASP A 1 56 ? -20.622 -4.245 39.745 1.00 19.37 ? 63 ASP A C 1 ATOM 424 O O . ASP A 1 56 ? -21.592 -4.188 40.487 1.00 19.91 ? 63 ASP A O 1 ATOM 425 C CB . ASP A 1 56 ? -20.572 -6.758 39.673 1.00 19.76 ? 63 ASP A CB 1 ATOM 426 C CG . ASP A 1 56 ? -20.714 -7.989 38.801 1.00 21.39 ? 63 ASP A CG 1 ATOM 427 O OD1 . ASP A 1 56 ? -21.524 -7.995 37.842 1.00 23.73 ? 63 ASP A OD1 1 ATOM 428 O OD2 . ASP A 1 56 ? -19.971 -8.962 39.048 1.00 26.35 ? 63 ASP A OD2 1 ATOM 429 N N . CYS A 1 57 ? -19.695 -3.286 39.675 1.00 19.36 ? 64 CYS A N 1 ATOM 430 C CA . CYS A 1 57 ? -19.746 -2.071 40.504 1.00 20.70 ? 64 CYS A CA 1 ATOM 431 C C . CYS A 1 57 ? -20.496 -0.937 39.831 1.00 20.28 ? 64 CYS A C 1 ATOM 432 O O . CYS A 1 57 ? -20.436 -0.794 38.616 1.00 20.89 ? 64 CYS A O 1 ATOM 433 C CB . CYS A 1 57 ? -18.323 -1.609 40.817 1.00 21.28 ? 64 CYS A CB 1 ATOM 434 S SG . CYS A 1 57 ? -17.588 -2.854 41.884 1.00 27.35 ? 64 CYS A SG 1 ATOM 435 N N . SER A 1 58 ? -21.223 -0.145 40.621 1.00 18.91 ? 65 SER A N 1 ATOM 436 C CA . SER A 1 58 ? -21.775 1.102 40.123 1.00 18.91 ? 65 SER A CA 1 ATOM 437 C C . SER A 1 58 ? -20.781 2.225 40.348 1.00 18.56 ? 65 SER A C 1 ATOM 438 O O . SER A 1 58 ? -19.772 2.073 41.053 1.00 18.39 ? 65 SER A O 1 ATOM 439 C CB . SER A 1 58 ? -23.051 1.463 40.891 1.00 19.91 ? 65 SER A CB 1 ATOM 440 O OG . SER A 1 58 ? -22.749 1.810 42.241 1.00 20.51 ? 65 SER A OG 1 ATOM 441 N N . ILE A 1 59 ? -21.094 3.377 39.770 1.00 18.21 ? 66 ILE A N 1 ATOM 442 C CA . ILE A 1 59 ? -20.286 4.573 39.989 1.00 19.02 ? 66 ILE A CA 1 ATOM 443 C C . ILE A 1 59 ? -20.157 4.869 41.502 1.00 18.63 ? 66 ILE A C 1 ATOM 444 O O . ILE A 1 59 ? -19.053 5.146 42.015 1.00 19.06 ? 66 ILE A O 1 ATOM 445 C CB . ILE A 1 59 ? -20.900 5.777 39.241 1.00 19.87 ? 66 ILE A CB 1 ATOM 446 C CG1 . ILE A 1 59 ? -20.753 5.619 37.709 1.00 21.52 ? 66 ILE A CG1 1 ATOM 447 C CG2 . ILE A 1 59 ? -20.244 7.095 39.693 1.00 20.54 ? 66 ILE A CG2 1 ATOM 448 C CD1 . ILE A 1 59 ? -19.343 5.672 37.198 1.00 23.77 ? 66 ILE A CD1 1 ATOM 449 N N . ALA A 1 60 ? -21.272 4.784 42.227 1.00 18.07 ? 67 ALA A N 1 ATOM 450 C CA . ALA A 1 60 ? -21.262 4.981 43.692 1.00 18.04 ? 67 ALA A CA 1 ATOM 451 C C . ALA A 1 60 ? -20.389 3.917 44.390 1.00 18.27 ? 67 ALA A C 1 ATOM 452 O O . ALA A 1 60 ? -19.610 4.244 45.286 1.00 18.42 ? 67 ALA A O 1 ATOM 453 C CB . ALA A 1 60 ? -22.688 4.901 44.239 1.00 19.81 ? 67 ALA A CB 1 ATOM 454 N N . GLY A 1 61 ? -20.543 2.653 43.992 1.00 18.75 ? 68 GLY A N 1 ATOM 455 C CA . GLY A 1 61 ? -19.725 1.569 44.564 1.00 18.45 ? 68 GLY A CA 1 ATOM 456 C C . GLY A 1 61 ? -18.237 1.825 44.425 1.00 18.75 ? 68 GLY A C 1 ATOM 457 O O . GLY A 1 61 ? -17.466 1.689 45.370 1.00 19.55 ? 68 GLY A O 1 ATOM 458 N N . TRP A 1 62 ? -17.844 2.290 43.242 1.00 18.05 ? 69 TRP A N 1 ATOM 459 C CA . TRP A 1 62 ? -16.448 2.655 42.980 1.00 17.20 ? 69 TRP A CA 1 ATOM 460 C C . TRP A 1 62 ? -16.009 3.798 43.889 1.00 17.32 ? 69 TRP A C 1 ATOM 461 O O . TRP A 1 62 ? -15.010 3.698 44.611 1.00 17.49 ? 69 TRP A O 1 ATOM 462 C CB . TRP A 1 62 ? -16.346 3.038 41.509 1.00 16.94 ? 69 TRP A CB 1 ATOM 463 C CG . TRP A 1 62 ? -15.103 3.770 41.069 1.00 16.21 ? 69 TRP A CG 1 ATOM 464 C CD1 . TRP A 1 62 ? -13.824 3.628 41.574 1.00 18.98 ? 69 TRP A CD1 1 ATOM 465 C CD2 . TRP A 1 62 ? -15.031 4.766 40.055 1.00 16.77 ? 69 TRP A CD2 1 ATOM 466 N NE1 . TRP A 1 62 ? -12.963 4.473 40.926 1.00 18.09 ? 69 TRP A NE1 1 ATOM 467 C CE2 . TRP A 1 62 ? -13.661 5.193 39.988 1.00 16.65 ? 69 TRP A CE2 1 ATOM 468 C CE3 . TRP A 1 62 ? -15.969 5.336 39.177 1.00 19.25 ? 69 TRP A CE3 1 ATOM 469 C CZ2 . TRP A 1 62 ? -13.219 6.153 39.074 1.00 17.47 ? 69 TRP A CZ2 1 ATOM 470 C CZ3 . TRP A 1 62 ? -15.544 6.355 38.292 1.00 17.70 ? 69 TRP A CZ3 1 ATOM 471 C CH2 . TRP A 1 62 ? -14.170 6.737 38.239 1.00 17.04 ? 69 TRP A CH2 1 ATOM 472 N N . LEU A 1 63 ? -16.723 4.918 43.842 1.00 16.98 ? 70 LEU A N 1 ATOM 473 C CA . LEU A 1 63 ? -16.175 6.129 44.465 1.00 18.00 ? 70 LEU A CA 1 ATOM 474 C C . LEU A 1 63 ? -16.233 6.055 46.003 1.00 18.38 ? 70 LEU A C 1 ATOM 475 O O . LEU A 1 63 ? -15.350 6.617 46.698 1.00 18.34 ? 70 LEU A O 1 ATOM 476 C CB . LEU A 1 63 ? -16.904 7.378 43.950 1.00 19.20 ? 70 LEU A CB 1 ATOM 477 C CG . LEU A 1 63 ? -16.677 7.591 42.447 1.00 18.70 ? 70 LEU A CG 1 ATOM 478 C CD1 . LEU A 1 63 ? -17.597 8.748 41.964 1.00 20.74 ? 70 LEU A CD1 1 ATOM 479 C CD2 . LEU A 1 63 ? -15.186 7.852 42.107 1.00 21.09 ? 70 LEU A CD2 1 ATOM 480 N N . LEU A 1 64 ? -17.252 5.373 46.540 1.00 17.06 ? 71 LEU A N 1 ATOM 481 C CA . LEU A 1 64 ? -17.313 5.174 47.991 1.00 16.91 ? 71 LEU A CA 1 ATOM 482 C C . LEU A 1 64 ? -16.300 4.132 48.452 1.00 17.40 ? 71 LEU A C 1 ATOM 483 O O . LEU A 1 64 ? -15.854 4.172 49.599 1.00 17.56 ? 71 LEU A O 1 ATOM 484 C CB . LEU A 1 64 ? -18.690 4.730 48.440 1.00 16.61 ? 71 LEU A CB 1 ATOM 485 C CG . LEU A 1 64 ? -19.769 5.783 48.221 1.00 17.41 ? 71 LEU A CG 1 ATOM 486 C CD1 . LEU A 1 64 ? -21.131 5.075 48.327 1.00 18.81 ? 71 LEU A CD1 1 ATOM 487 C CD2 . LEU A 1 64 ? -19.587 6.885 49.251 1.00 19.24 ? 71 LEU A CD2 1 ATOM 488 N N . GLY A 1 65 ? -15.986 3.177 47.565 1.00 17.30 ? 72 GLY A N 1 ATOM 489 C CA . GLY A 1 65 ? -15.083 2.079 47.906 1.00 17.92 ? 72 GLY A CA 1 ATOM 490 C C . GLY A 1 65 ? -15.826 0.871 48.492 1.00 17.02 ? 72 GLY A C 1 ATOM 491 O O . GLY A 1 65 ? -15.375 0.260 49.473 1.00 16.70 ? 72 GLY A O 1 ATOM 492 N N . ASN A 1 66 ? -16.964 0.508 47.917 1.00 17.59 ? 73 ASN A N 1 ATOM 493 C CA . ASN A 1 66 ? -17.601 -0.768 48.295 1.00 17.95 ? 73 ASN A CA 1 ATOM 494 C C . ASN A 1 66 ? -16.506 -1.843 48.268 1.00 17.84 ? 73 ASN A C 1 ATOM 495 O O . ASN A 1 66 ? -15.780 -1.935 47.273 1.00 18.66 ? 73 ASN A O 1 ATOM 496 C CB . ASN A 1 66 ? -18.716 -1.026 47.290 1.00 18.13 ? 73 ASN A CB 1 ATOM 497 C CG . ASN A 1 66 ? -19.418 -2.345 47.498 1.00 18.03 ? 73 ASN A CG 1 ATOM 498 O OD1 . ASN A 1 66 ? -18.814 -3.322 47.892 1.00 20.34 ? 73 ASN A OD1 1 ATOM 499 N ND2 . ASN A 1 66 ? -20.728 -2.373 47.216 1.00 18.77 ? 73 ASN A ND2 1 ATOM 500 N N . PRO A 1 67 ? -16.339 -2.623 49.363 1.00 17.93 ? 74 PRO A N 1 ATOM 501 C CA . PRO A 1 67 ? -15.252 -3.639 49.341 1.00 18.38 ? 74 PRO A CA 1 ATOM 502 C C . PRO A 1 67 ? -15.276 -4.637 48.183 1.00 20.16 ? 74 PRO A C 1 ATOM 503 O O . PRO A 1 67 ? -14.232 -5.254 47.914 1.00 22.60 ? 74 PRO A O 1 ATOM 504 C CB . PRO A 1 67 ? -15.395 -4.356 50.686 1.00 19.66 ? 74 PRO A CB 1 ATOM 505 C CG . PRO A 1 67 ? -15.977 -3.279 51.578 1.00 19.62 ? 74 PRO A CG 1 ATOM 506 C CD . PRO A 1 67 ? -17.007 -2.591 50.674 1.00 18.95 ? 74 PRO A CD 1 ATOM 507 N N . GLU A 1 68 ? -16.419 -4.823 47.526 1.00 19.56 ? 75 GLU A N 1 ATOM 508 C CA . GLU A 1 68 ? -16.527 -5.726 46.362 1.00 21.09 ? 75 GLU A CA 1 ATOM 509 C C . GLU A 1 68 ? -15.874 -5.106 45.121 1.00 21.74 ? 75 GLU A C 1 ATOM 510 O O . GLU A 1 68 ? -15.730 -5.775 44.062 1.00 23.18 ? 75 GLU A O 1 ATOM 511 C CB . GLU A 1 68 ? -17.998 -6.077 46.082 1.00 22.35 ? 75 GLU A CB 1 ATOM 512 C CG . GLU A 1 68 ? -18.685 -6.896 47.196 1.00 22.38 ? 75 GLU A CG 1 ATOM 513 C CD . GLU A 1 68 ? -18.000 -8.225 47.525 1.00 31.68 ? 75 GLU A CD 1 ATOM 514 O OE1 . GLU A 1 68 ? -17.487 -8.903 46.602 1.00 31.69 ? 75 GLU A OE1 1 ATOM 515 O OE2 . GLU A 1 68 ? -17.971 -8.587 48.727 1.00 35.69 ? 75 GLU A OE2 1 ATOM 516 N N . CYS A 1 69 ? -15.478 -3.829 45.258 1.00 20.94 ? 76 CYS A N 1 ATOM 517 C CA . CYS A 1 69 ? -14.956 -3.029 44.138 1.00 21.24 ? 76 CYS A CA 1 ATOM 518 C C . CYS A 1 69 ? -13.475 -2.696 44.324 1.00 20.74 ? 76 CYS A C 1 ATOM 519 O O . CYS A 1 69 ? -12.973 -1.762 43.703 1.00 20.34 ? 76 CYS A O 1 ATOM 520 C CB . CYS A 1 69 ? -15.759 -1.717 44.010 1.00 21.42 ? 76 CYS A CB 1 ATOM 521 S SG . CYS A 1 69 ? -17.537 -2.026 43.807 1.00 25.96 ? 76 CYS A SG 1 ATOM 522 N N . ASP A 1 70 ? -12.777 -3.469 45.163 1.00 20.81 ? 77 ASP A N 1 ATOM 523 C CA . ASP A 1 70 ? -11.382 -3.135 45.518 1.00 21.21 ? 77 ASP A CA 1 ATOM 524 C C . ASP A 1 70 ? -10.408 -3.088 44.332 1.00 21.29 ? 77 ASP A C 1 ATOM 525 O O . ASP A 1 70 ? -9.358 -2.426 44.417 1.00 21.63 ? 77 ASP A O 1 ATOM 526 C CB . ASP A 1 70 ? -10.837 -4.088 46.601 1.00 22.57 ? 77 ASP A CB 1 ATOM 527 C CG . ASP A 1 70 ? -11.290 -3.713 48.008 1.00 25.24 ? 77 ASP A CG 1 ATOM 528 O OD1 . ASP A 1 70 ? -11.963 -2.693 48.196 1.00 25.88 ? 77 ASP A OD1 1 ATOM 529 O OD2 . ASP A 1 70 ? -10.961 -4.482 48.957 1.00 29.66 ? 77 ASP A OD2 1 ATOM 530 N N . ARG A 1 71 ? -10.711 -3.816 43.254 1.00 22.18 ? 78 ARG A N 1 ATOM 531 C CA . ARG A 1 71 ? -9.883 -3.684 42.040 1.00 22.68 ? 78 ARG A CA 1 ATOM 532 C C . ARG A 1 71 ? -9.828 -2.260 41.494 1.00 22.98 ? 78 ARG A C 1 ATOM 533 O O . ARG A 1 71 ? -8.914 -1.907 40.718 1.00 23.35 ? 78 ARG A O 1 ATOM 534 C CB . ARG A 1 71 ? -10.331 -4.649 40.933 1.00 24.36 ? 78 ARG A CB 1 ATOM 535 C CG . ARG A 1 71 ? -11.710 -4.371 40.423 1.00 25.01 ? 78 ARG A CG 1 ATOM 536 C CD . ARG A 1 71 ? -12.239 -5.531 39.581 1.00 33.22 ? 78 ARG A CD 1 ATOM 537 N NE . ARG A 1 71 ? -13.683 -5.415 39.276 1.00 33.93 ? 78 ARG A NE 1 ATOM 538 C CZ . ARG A 1 71 ? -14.679 -5.527 40.163 1.00 37.40 ? 78 ARG A CZ 1 ATOM 539 N NH1 . ARG A 1 71 ? -14.407 -5.725 41.456 1.00 37.68 ? 78 ARG A NH1 1 ATOM 540 N NH2 . ARG A 1 71 ? -15.963 -5.425 39.770 1.00 41.38 ? 78 ARG A NH2 1 ATOM 541 N N . LEU A 1 72 ? -10.794 -1.447 41.912 1.00 20.26 ? 79 LEU A N 1 ATOM 542 C CA . LEU A 1 72 ? -10.947 -0.094 41.391 1.00 19.74 ? 79 LEU A CA 1 ATOM 543 C C . LEU A 1 72 ? -10.316 0.959 42.321 1.00 19.42 ? 79 LEU A C 1 ATOM 544 O O . LEU A 1 72 ? -10.554 2.161 42.123 1.00 20.46 ? 79 LEU A O 1 ATOM 545 C CB . LEU A 1 72 ? -12.434 0.243 41.208 1.00 20.30 ? 79 LEU A CB 1 ATOM 546 C CG . LEU A 1 72 ? -13.201 -0.686 40.247 1.00 19.76 ? 79 LEU A CG 1 ATOM 547 C CD1 . LEU A 1 72 ? -14.633 -0.184 40.076 1.00 23.05 ? 79 LEU A CD1 1 ATOM 548 C CD2 . LEU A 1 72 ? -12.516 -0.808 38.877 1.00 22.60 ? 79 LEU A CD2 1 ATOM 549 N N . LEU A 1 73 ? -9.586 0.520 43.355 1.00 19.57 ? 80 LEU A N 1 ATOM 550 C CA . LEU A 1 73 ? -9.076 1.492 44.340 1.00 19.61 ? 80 LEU A CA 1 ATOM 551 C C . LEU A 1 73 ? -8.078 2.511 43.765 1.00 18.92 ? 80 LEU A C 1 ATOM 552 O O . LEU A 1 73 ? -7.937 3.623 44.299 1.00 20.61 ? 80 LEU A O 1 ATOM 553 C CB . LEU A 1 73 ? -8.486 0.798 45.565 1.00 19.81 ? 80 LEU A CB 1 ATOM 554 C CG . LEU A 1 73 ? -9.512 0.198 46.533 1.00 19.64 ? 80 LEU A CG 1 ATOM 555 C CD1 . LEU A 1 73 ? -8.794 -0.766 47.441 1.00 20.04 ? 80 LEU A CD1 1 ATOM 556 C CD2 . LEU A 1 73 ? -10.173 1.299 47.382 1.00 21.12 ? 80 LEU A CD2 1 ATOM 557 N N . SER A 1 74 ? -7.388 2.109 42.711 1.00 20.27 ? 81 SER A N 1 ATOM 558 C CA . SER A 1 74 ? -6.529 3.014 41.964 1.00 21.56 ? 81 SER A CA 1 ATOM 559 C C . SER A 1 74 ? -6.717 2.626 40.509 1.00 21.33 ? 81 SER A C 1 ATOM 560 O O . SER A 1 74 ? -6.437 1.484 40.137 1.00 23.78 ? 81 SER A O 1 ATOM 561 C CB . SER A 1 74 ? -5.071 2.836 42.368 1.00 22.17 ? 81 SER A CB 1 ATOM 562 O OG . SER A 1 74 ? -4.263 3.743 41.625 1.00 25.00 ? 81 SER A OG 1 ATOM 563 N N . VAL A 1 75 A -7.182 3.565 39.697 1.00 21.33 ? 81 VAL A N 1 ATOM 564 C CA . VAL A 1 75 A -7.373 3.255 38.271 1.00 21.04 ? 81 VAL A CA 1 ATOM 565 C C . VAL A 1 75 A -6.723 4.293 37.349 1.00 21.35 ? 81 VAL A C 1 ATOM 566 O O . VAL A 1 75 A -6.761 5.497 37.638 1.00 21.00 ? 81 VAL A O 1 ATOM 567 C CB . VAL A 1 75 A -8.842 3.052 37.885 1.00 22.23 ? 81 VAL A CB 1 ATOM 568 C CG1 . VAL A 1 75 A -9.463 1.892 38.676 1.00 22.73 ? 81 VAL A CG1 1 ATOM 569 C CG2 . VAL A 1 75 A -9.620 4.324 38.101 1.00 20.60 ? 81 VAL A CG2 1 ATOM 570 N N . PRO A 1 76 ? -6.172 3.838 36.229 1.00 21.43 ? 82 PRO A N 1 ATOM 571 C CA . PRO A 1 76 ? -5.530 4.789 35.330 1.00 21.67 ? 82 PRO A CA 1 ATOM 572 C C . PRO A 1 76 ? -6.531 5.532 34.447 1.00 20.75 ? 82 PRO A C 1 ATOM 573 O O . PRO A 1 76 ? -7.745 5.301 34.505 1.00 20.62 ? 82 PRO A O 1 ATOM 574 C CB . PRO A 1 76 ? -4.655 3.891 34.463 1.00 22.27 ? 82 PRO A CB 1 ATOM 575 C CG . PRO A 1 76 ? -5.442 2.600 34.374 1.00 21.44 ? 82 PRO A CG 1 ATOM 576 C CD . PRO A 1 76 ? -6.082 2.448 35.739 1.00 22.60 ? 82 PRO A CD 1 ATOM 577 N N . GLU A 1 77 ? -6.017 6.434 33.627 1.00 21.22 ? 83 GLU A N 1 ATOM 578 C CA . GLU A 1 77 ? -6.846 7.219 32.735 1.00 21.76 ? 83 GLU A CA 1 ATOM 579 C C . GLU A 1 77 ? -7.696 6.325 31.852 1.00 20.08 ? 83 GLU A C 1 ATOM 580 O O . GLU A 1 77 ? -7.242 5.270 31.401 1.00 20.33 ? 83 GLU A O 1 ATOM 581 C CB . GLU A 1 77 ? -5.946 8.088 31.839 1.00 23.31 ? 83 GLU A CB 1 ATOM 582 C CG . GLU A 1 77 ? -6.735 8.919 30.838 1.00 26.13 ? 83 GLU A CG 1 ATOM 583 C CD . GLU A 1 77 ? -5.861 9.598 29.773 1.00 26.45 ? 83 GLU A CD 1 ATOM 584 O OE1 . GLU A 1 77 ? -4.651 9.752 30.008 1.00 32.73 ? 83 GLU A OE1 1 ATOM 585 O OE2 . GLU A 1 77 ? -6.420 10.018 28.728 1.00 34.47 ? 83 GLU A OE2 1 ATOM 586 N N . TRP A 1 78 ? -8.932 6.742 31.631 1.00 19.40 ? 84 TRP A N 1 ATOM 587 C CA . TRP A 1 78 ? -9.864 5.973 30.785 1.00 19.64 ? 84 TRP A CA 1 ATOM 588 C C . TRP A 1 78 ? -10.387 6.810 29.613 1.00 19.29 ? 84 TRP A C 1 ATOM 589 O O . TRP A 1 78 ? -10.369 8.051 29.648 1.00 18.94 ? 84 TRP A O 1 ATOM 590 C CB . TRP A 1 78 ? -11.036 5.443 31.621 1.00 20.21 ? 84 TRP A CB 1 ATOM 591 C CG . TRP A 1 78 ? -11.813 6.524 32.280 1.00 18.95 ? 84 TRP A CG 1 ATOM 592 C CD1 . TRP A 1 78 ? -12.795 7.257 31.701 1.00 18.38 ? 84 TRP A CD1 1 ATOM 593 C CD2 . TRP A 1 78 ? -11.659 7.066 33.624 1.00 18.77 ? 84 TRP A CD2 1 ATOM 594 N NE1 . TRP A 1 78 ? -13.295 8.202 32.574 1.00 21.97 ? 84 TRP A NE1 1 ATOM 595 C CE2 . TRP A 1 78 ? -12.618 8.104 33.760 1.00 19.80 ? 84 TRP A CE2 1 ATOM 596 C CE3 . TRP A 1 78 ? -10.810 6.770 34.717 1.00 19.48 ? 84 TRP A CE3 1 ATOM 597 C CZ2 . TRP A 1 78 ? -12.759 8.863 34.943 1.00 20.12 ? 84 TRP A CZ2 1 ATOM 598 C CZ3 . TRP A 1 78 ? -10.957 7.517 35.894 1.00 19.50 ? 84 TRP A CZ3 1 ATOM 599 C CH2 . TRP A 1 78 ? -11.911 8.553 35.987 1.00 18.05 ? 84 TRP A CH2 1 ATOM 600 N N . SER A 1 79 ? -10.894 6.107 28.596 1.00 19.34 ? 85 SER A N 1 ATOM 601 C CA . SER A 1 79 ? -11.524 6.748 27.429 1.00 20.42 ? 85 SER A CA 1 ATOM 602 C C . SER A 1 79 ? -13.045 6.818 27.478 1.00 20.76 ? 85 SER A C 1 ATOM 603 O O . SER A 1 79 ? -13.650 7.663 26.827 1.00 21.73 ? 85 SER A O 1 ATOM 604 C CB . SER A 1 79 ? -11.118 5.998 26.163 1.00 21.04 ? 85 SER A CB 1 ATOM 605 O OG . SER A 1 79 ? -11.369 4.614 26.308 1.00 20.73 ? 85 SER A OG 1 ATOM 606 N N . TYR A 1 80 ? -13.644 5.870 28.188 1.00 19.85 ? 86 TYR A N 1 ATOM 607 C CA . TYR A 1 80 ? -15.065 5.842 28.522 1.00 19.02 ? 86 TYR A CA 1 ATOM 608 C C . TYR A 1 80 ? -15.241 4.919 29.717 1.00 18.47 ? 86 TYR A C 1 ATOM 609 O O . TYR A 1 80 ? -14.309 4.201 30.105 1.00 18.63 ? 86 TYR A O 1 ATOM 610 C CB . TYR A 1 80 ? -15.954 5.428 27.312 1.00 19.77 ? 86 TYR A CB 1 ATOM 611 C CG . TYR A 1 80 ? -15.659 4.058 26.672 1.00 18.25 ? 86 TYR A CG 1 ATOM 612 C CD1 . TYR A 1 80 ? -16.480 2.963 26.915 1.00 19.10 ? 86 TYR A CD1 1 ATOM 613 C CD2 . TYR A 1 80 ? -14.576 3.878 25.792 1.00 18.83 ? 86 TYR A CD2 1 ATOM 614 C CE1 . TYR A 1 80 ? -16.250 1.736 26.350 1.00 19.30 ? 86 TYR A CE1 1 ATOM 615 C CE2 . TYR A 1 80 ? -14.319 2.621 25.190 1.00 17.68 ? 86 TYR A CE2 1 ATOM 616 C CZ . TYR A 1 80 ? -15.157 1.554 25.481 1.00 19.47 ? 86 TYR A CZ 1 ATOM 617 O OH . TYR A 1 80 ? -14.944 0.326 24.931 1.00 19.99 ? 86 TYR A OH 1 ATOM 618 N N . ILE A 1 81 ? -16.421 4.938 30.319 1.00 18.47 ? 87 ILE A N 1 ATOM 619 C CA . ILE A 1 81 ? -16.681 4.086 31.483 1.00 19.21 ? 87 ILE A CA 1 ATOM 620 C C . ILE A 1 81 ? -17.774 3.096 31.101 1.00 19.94 ? 87 ILE A C 1 ATOM 621 O O . ILE A 1 81 ? -18.784 3.513 30.559 1.00 21.15 ? 87 ILE A O 1 ATOM 622 C CB . ILE A 1 81 ? -17.152 4.920 32.660 1.00 19.20 ? 87 ILE A CB 1 ATOM 623 C CG1 . ILE A 1 81 ? -16.047 5.914 33.032 1.00 18.59 ? 87 ILE A CG1 1 ATOM 624 C CG2 . ILE A 1 81 ? -17.487 4.053 33.873 1.00 20.21 ? 87 ILE A CG2 1 ATOM 625 C CD1 . ILE A 1 81 ? -16.418 6.877 34.179 1.00 20.59 ? 87 ILE A CD1 1 ATOM 626 N N . MET A 1 82 ? -17.570 1.816 31.366 1.00 18.01 ? 88 MET A N 1 ATOM 627 C CA . MET A 1 82 ? -18.613 0.777 31.123 1.00 19.74 ? 88 MET A CA 1 ATOM 628 C C . MET A 1 82 ? -19.314 0.468 32.407 1.00 19.19 ? 88 MET A C 1 ATOM 629 O O . MET A 1 82 ? -18.676 0.063 33.378 1.00 19.21 ? 88 MET A O 1 ATOM 630 C CB . MET A 1 82 ? -17.961 -0.505 30.616 1.00 20.41 ? 88 MET A CB 1 ATOM 631 C CG . MET A 1 82 ? -17.293 -0.340 29.230 1.00 22.19 ? 88 MET A CG 1 ATOM 632 S SD . MET A 1 82 ? -16.027 -1.562 28.931 1.00 22.42 ? 88 MET A SD 1 ATOM 633 C CE . MET A 1 82 ? -16.928 -3.054 29.312 1.00 23.11 ? 88 MET A CE 1 ATOM 634 N N . GLU A 1 83 ? -20.627 0.672 32.426 1.00 19.34 ? 89 GLU A N 1 ATOM 635 C CA . GLU A 1 83 ? -21.438 0.375 33.604 1.00 20.31 ? 89 GLU A CA 1 ATOM 636 C C . GLU A 1 83 ? -22.609 -0.517 33.202 1.00 19.63 ? 89 GLU A C 1 ATOM 637 O O . GLU A 1 83 ? -23.228 -0.289 32.155 1.00 21.55 ? 89 GLU A O 1 ATOM 638 C CB . GLU A 1 83 ? -21.976 1.656 34.256 1.00 21.06 ? 89 GLU A CB 1 ATOM 639 C CG . GLU A 1 83 ? -22.520 1.382 35.682 1.00 21.07 ? 89 GLU A CG 1 ATOM 640 C CD . GLU A 1 83 ? -23.195 2.573 36.320 1.00 21.31 ? 89 GLU A CD 1 ATOM 641 O OE1 . GLU A 1 83 ? -23.933 3.317 35.604 1.00 25.99 ? 89 GLU A OE1 1 ATOM 642 O OE2 . GLU A 1 83 ? -23.030 2.754 37.552 1.00 20.46 ? 89 GLU A OE2 1 ATOM 643 N N . LYS A 1 84 ? -22.911 -1.506 34.041 1.00 19.47 ? 90 LYS A N 1 ATOM 644 C CA . LYS A 1 84 ? -24.036 -2.410 33.742 1.00 20.20 ? 90 LYS A CA 1 ATOM 645 C C . LYS A 1 84 ? -25.332 -1.694 33.996 1.00 21.97 ? 90 LYS A C 1 ATOM 646 O O . LYS A 1 84 ? -25.364 -0.689 34.693 1.00 21.48 ? 90 LYS A O 1 ATOM 647 C CB . LYS A 1 84 ? -23.939 -3.662 34.597 1.00 19.58 ? 90 LYS A CB 1 ATOM 648 C CG . LYS A 1 84 ? -22.749 -4.526 34.190 1.00 20.77 ? 90 LYS A CG 1 ATOM 649 C CD . LYS A 1 84 ? -22.710 -5.840 34.885 1.00 22.77 ? 90 LYS A CD 1 ATOM 650 C CE . LYS A 1 84 ? -21.543 -6.660 34.316 1.00 25.72 ? 90 LYS A CE 1 ATOM 651 N NZ . LYS A 1 84 ? -21.462 -7.973 35.015 1.00 30.95 ? 90 LYS A NZ 1 ATOM 652 N N . GLU A 1 85 ? -26.422 -2.211 33.426 1.00 23.64 ? 91 GLU A N 1 ATOM 653 C CA . GLU A 1 85 ? -27.726 -1.615 33.678 1.00 25.98 ? 91 GLU A CA 1 ATOM 654 C C . GLU A 1 85 ? -28.129 -1.613 35.145 1.00 25.69 ? 91 GLU A C 1 ATOM 655 O O . GLU A 1 85 ? -28.697 -0.629 35.619 1.00 26.72 ? 91 GLU A O 1 ATOM 656 C CB . GLU A 1 85 ? -28.801 -2.316 32.841 1.00 26.17 ? 91 GLU A CB 1 ATOM 657 C CG . GLU A 1 85 ? -30.192 -1.725 33.006 1.00 30.98 ? 91 GLU A CG 1 ATOM 658 C CD . GLU A 1 85 ? -30.319 -0.284 32.523 1.00 38.66 ? 91 GLU A CD 1 ATOM 659 O OE1 . GLU A 1 85 ? -29.554 0.141 31.630 1.00 41.05 ? 91 GLU A OE1 1 ATOM 660 O OE2 . GLU A 1 85 ? -31.215 0.425 33.038 1.00 43.32 ? 91 GLU A OE2 1 ATOM 661 N N . ASN A 1 86 ? -27.870 -2.717 35.855 1.00 25.52 ? 92 ASN A N 1 ATOM 662 C CA . ASN A 1 86 ? -28.241 -2.850 37.264 1.00 25.89 ? 92 ASN A CA 1 ATOM 663 C C . ASN A 1 86 ? -27.089 -3.451 38.052 1.00 24.82 ? 92 ASN A C 1 ATOM 664 O O . ASN A 1 86 ? -27.143 -4.604 38.433 1.00 25.07 ? 92 ASN A O 1 ATOM 665 C CB . ASN A 1 86 ? -29.467 -3.781 37.400 1.00 27.15 ? 92 ASN A CB 1 ATOM 666 C CG . ASN A 1 86 ? -30.713 -3.224 36.727 1.00 32.15 ? 92 ASN A CG 1 ATOM 667 O OD1 . ASN A 1 86 ? -31.207 -3.786 35.736 1.00 38.77 ? 92 ASN A OD1 1 ATOM 668 N ND2 . ASN A 1 86 ? -31.229 -2.114 37.257 1.00 37.77 ? 92 ASN A ND2 1 ATOM 669 N N . PRO A 1 87 ? -26.021 -2.668 38.296 1.00 23.34 ? 93 PRO A N 1 ATOM 670 C CA . PRO A 1 87 ? -24.849 -3.233 38.967 1.00 23.30 ? 93 PRO A CA 1 ATOM 671 C C . PRO A 1 87 ? -25.197 -3.700 40.374 1.00 23.71 ? 93 PRO A C 1 ATOM 672 O O . PRO A 1 87 ? -25.942 -3.004 41.098 1.00 25.72 ? 93 PRO A O 1 ATOM 673 C CB . PRO A 1 87 ? -23.897 -2.025 39.059 1.00 23.15 ? 93 PRO A CB 1 ATOM 674 C CG . PRO A 1 87 ? -24.356 -1.098 38.060 1.00 23.16 ? 93 PRO A CG 1 ATOM 675 C CD . PRO A 1 87 ? -25.847 -1.240 38.010 1.00 24.54 ? 93 PRO A CD 1 ATOM 676 N N . ARG A 1 88 ? -24.675 -4.869 40.735 1.00 24.01 ? 94 ARG A N 1 ATOM 677 C CA . ARG A 1 88 ? -24.904 -5.485 42.038 1.00 23.78 ? 94 ARG A CA 1 ATOM 678 C C . ARG A 1 88 ? -24.252 -4.719 43.169 1.00 23.24 ? 94 ARG A C 1 ATOM 679 O O . ARG A 1 88 ? -24.781 -4.692 44.279 1.00 24.24 ? 94 ARG A O 1 ATOM 680 C CB . ARG A 1 88 ? -24.385 -6.932 41.990 1.00 25.28 ? 94 ARG A CB 1 ATOM 681 C CG . ARG A 1 88 ? -24.595 -7.747 43.220 1.00 28.92 ? 94 ARG A CG 1 ATOM 682 C CD . ARG A 1 88 ? -24.093 -9.174 42.979 1.00 36.70 ? 94 ARG A CD 1 ATOM 683 N NE . ARG A 1 88 ? -24.622 -9.695 41.718 1.00 41.36 ? 94 ARG A NE 1 ATOM 684 C CZ . ARG A 1 88 ? -23.890 -9.951 40.637 1.00 43.82 ? 94 ARG A CZ 1 ATOM 685 N NH1 . ARG A 1 88 ? -22.572 -9.773 40.657 1.00 45.19 ? 94 ARG A NH1 1 ATOM 686 N NH2 . ARG A 1 88 ? -24.475 -10.406 39.538 1.00 44.48 ? 94 ARG A NH2 1 ATOM 687 N N . ASP A 1 89 ? -23.084 -4.121 42.897 1.00 21.33 ? 95 ASP A N 1 ATOM 688 C CA . ASP A 1 89 ? -22.241 -3.608 43.966 1.00 21.44 ? 95 ASP A CA 1 ATOM 689 C C . ASP A 1 89 ? -22.225 -2.094 43.993 1.00 21.38 ? 95 ASP A C 1 ATOM 690 O O . ASP A 1 89 ? -21.417 -1.438 43.325 1.00 21.68 ? 95 ASP A O 1 ATOM 691 C CB . ASP A 1 89 ? -20.848 -4.194 43.834 1.00 20.87 ? 95 ASP A CB 1 ATOM 692 C CG . ASP A 1 89 ? -20.866 -5.709 43.984 1.00 22.38 ? 95 ASP A CG 1 ATOM 693 O OD1 . ASP A 1 89 ? -21.488 -6.191 44.974 1.00 23.22 ? 95 ASP A OD1 1 ATOM 694 O OD2 . ASP A 1 89 ? -20.315 -6.404 43.093 1.00 24.67 ? 95 ASP A OD2 1 ATOM 695 N N . GLY A 1 90 A -23.123 -1.548 44.799 1.00 19.92 ? 95 GLY A N 1 ATOM 696 C CA . GLY A 1 90 A -23.248 -0.100 44.915 1.00 19.84 ? 95 GLY A CA 1 ATOM 697 C C . GLY A 1 90 A -23.175 0.297 46.370 1.00 20.02 ? 95 GLY A C 1 ATOM 698 O O . GLY A 1 90 A -22.127 0.154 46.997 1.00 20.57 ? 95 GLY A O 1 ATOM 699 N N . LEU A 1 91 ? -24.310 0.738 46.920 1.00 19.99 ? 96 LEU A N 1 ATOM 700 C CA . LEU A 1 91 ? -24.393 1.083 48.336 1.00 20.04 ? 96 LEU A CA 1 ATOM 701 C C . LEU A 1 91 ? -24.547 -0.213 49.125 1.00 20.96 ? 96 LEU A C 1 ATOM 702 O O . LEU A 1 91 ? -25.656 -0.698 49.308 1.00 23.12 ? 96 LEU A O 1 ATOM 703 C CB . LEU A 1 91 ? -25.561 2.056 48.571 1.00 20.20 ? 96 LEU A CB 1 ATOM 704 C CG . LEU A 1 91 ? -25.153 3.537 48.665 1.00 25.67 ? 96 LEU A CG 1 ATOM 705 C CD1 . LEU A 1 91 ? -24.306 4.025 47.566 1.00 27.16 ? 96 LEU A CD1 1 ATOM 706 C CD2 . LEU A 1 91 ? -26.386 4.367 48.724 1.00 24.81 ? 96 LEU A CD2 1 ATOM 707 N N . CYS A 1 92 ? -23.436 -0.798 49.580 1.00 20.30 ? 97 CYS A N 1 ATOM 708 C CA . CYS A 1 92 ? -23.598 -2.061 50.318 1.00 20.57 ? 97 CYS A CA 1 ATOM 709 C C . CYS A 1 92 ? -24.325 -1.852 51.641 1.00 19.03 ? 97 CYS A C 1 ATOM 710 O O . CYS A 1 92 ? -25.175 -2.646 51.999 1.00 21.22 ? 97 CYS A O 1 ATOM 711 C CB . CYS A 1 92 ? -22.249 -2.772 50.535 1.00 20.46 ? 97 CYS A CB 1 ATOM 712 S SG . CYS A 1 92 ? -20.859 -1.682 50.870 1.00 24.83 ? 97 CYS A SG 1 ATOM 713 N N . TYR A 1 93 ? -23.987 -0.779 52.370 1.00 19.22 ? 98 TYR A N 1 ATOM 714 C CA . TYR A 1 93 ? -24.841 -0.315 53.455 1.00 18.36 ? 98 TYR A CA 1 ATOM 715 C C . TYR A 1 93 ? -25.864 0.534 52.690 1.00 18.23 ? 98 TYR A C 1 ATOM 716 O O . TYR A 1 93 ? -25.463 1.439 51.916 1.00 17.97 ? 98 TYR A O 1 ATOM 717 C CB . TYR A 1 93 ? -24.069 0.531 54.474 1.00 18.58 ? 98 TYR A CB 1 ATOM 718 C CG . TYR A 1 93 ? -24.889 0.739 55.724 1.00 19.46 ? 98 TYR A CG 1 ATOM 719 C CD1 . TYR A 1 93 ? -24.714 -0.067 56.831 1.00 19.56 ? 98 TYR A CD1 1 ATOM 720 C CD2 . TYR A 1 93 ? -25.916 1.708 55.772 1.00 19.32 ? 98 TYR A CD2 1 ATOM 721 C CE1 . TYR A 1 93 ? -25.474 0.088 57.961 1.00 19.15 ? 98 TYR A CE1 1 ATOM 722 C CE2 . TYR A 1 93 ? -26.698 1.859 56.893 1.00 19.45 ? 98 TYR A CE2 1 ATOM 723 C CZ . TYR A 1 93 ? -26.461 1.072 58.005 1.00 19.01 ? 98 TYR A CZ 1 ATOM 724 O OH . TYR A 1 93 ? -27.229 1.175 59.162 1.00 21.72 ? 98 TYR A OH 1 ATOM 725 N N . PRO A 1 94 ? -27.169 0.221 52.868 1.00 17.83 ? 99 PRO A N 1 ATOM 726 C CA . PRO A 1 94 ? -28.191 0.839 51.993 1.00 18.15 ? 99 PRO A CA 1 ATOM 727 C C . PRO A 1 94 ? -28.371 2.307 52.259 1.00 18.40 ? 99 PRO A C 1 ATOM 728 O O . PRO A 1 94 ? -28.035 2.813 53.339 1.00 18.40 ? 99 PRO A O 1 ATOM 729 C CB . PRO A 1 94 ? -29.478 0.056 52.337 1.00 17.69 ? 99 PRO A CB 1 ATOM 730 C CG . PRO A 1 94 ? -29.289 -0.303 53.796 1.00 17.69 ? 99 PRO A CG 1 ATOM 731 C CD . PRO A 1 94 ? -27.794 -0.725 53.822 1.00 18.74 ? 99 PRO A CD 1 ATOM 732 N N . GLY A 1 95 ? -28.938 2.991 51.276 1.00 19.06 ? 100 GLY A N 1 ATOM 733 C CA . GLY A 1 95 ? -29.130 4.420 51.461 1.00 18.71 ? 100 GLY A CA 1 ATOM 734 C C . GLY A 1 95 ? -29.437 5.123 50.178 1.00 19.01 ? 100 GLY A C 1 ATOM 735 O O . GLY A 1 95 ? -30.142 4.604 49.311 1.00 20.18 ? 100 GLY A O 1 ATOM 736 N N . SER A 1 96 ? -28.926 6.341 50.067 1.00 18.12 ? 101 SER A N 1 ATOM 737 C CA . SER A 1 96 ? -29.190 7.143 48.890 1.00 18.58 ? 101 SER A CA 1 ATOM 738 C C . SER A 1 96 ? -27.956 7.978 48.578 1.00 19.08 ? 101 SER A C 1 ATOM 739 O O . SER A 1 96 ? -27.060 8.092 49.413 1.00 19.84 ? 101 SER A O 1 ATOM 740 C CB . SER A 1 96 ? -30.390 8.076 49.141 1.00 18.72 ? 101 SER A CB 1 ATOM 741 O OG . SER A 1 96 ? -30.199 8.902 50.283 1.00 20.99 ? 101 SER A OG 1 ATOM 742 N N . PHE A 1 97 ? -27.942 8.563 47.382 1.00 19.44 ? 102 PHE A N 1 ATOM 743 C CA . PHE A 1 97 ? -26.794 9.360 46.956 1.00 19.36 ? 102 PHE A CA 1 ATOM 744 C C . PHE A 1 97 ? -27.419 10.583 46.300 1.00 20.16 ? 102 PHE A C 1 ATOM 745 O O . PHE A 1 97 ? -27.963 10.492 45.187 1.00 20.31 ? 102 PHE A O 1 ATOM 746 C CB . PHE A 1 97 ? -25.951 8.520 45.988 1.00 18.85 ? 102 PHE A CB 1 ATOM 747 C CG . PHE A 1 97 ? -24.534 9.000 45.832 1.00 19.03 ? 102 PHE A CG 1 ATOM 748 C CD1 . PHE A 1 97 ? -23.480 8.196 46.237 1.00 18.35 ? 102 PHE A CD1 1 ATOM 749 C CD2 . PHE A 1 97 ? -24.275 10.225 45.224 1.00 20.12 ? 102 PHE A CD2 1 ATOM 750 C CE1 . PHE A 1 97 ? -22.162 8.601 46.093 1.00 19.15 ? 102 PHE A CE1 1 ATOM 751 C CE2 . PHE A 1 97 ? -22.930 10.676 45.072 1.00 20.25 ? 102 PHE A CE2 1 ATOM 752 C CZ . PHE A 1 97 ? -21.871 9.843 45.523 1.00 21.04 ? 102 PHE A CZ 1 ATOM 753 N N . ASN A 1 98 ? -27.396 11.710 47.005 1.00 18.44 ? 103 ASN A N 1 ATOM 754 C CA . ASN A 1 98 ? -27.968 12.938 46.474 1.00 19.36 ? 103 ASN A CA 1 ATOM 755 C C . ASN A 1 98 ? -27.270 13.411 45.208 1.00 20.11 ? 103 ASN A C 1 ATOM 756 O O . ASN A 1 98 ? -26.044 13.363 45.101 1.00 19.31 ? 103 ASN A O 1 ATOM 757 C CB . ASN A 1 98 ? -27.946 14.022 47.524 1.00 19.00 ? 103 ASN A CB 1 ATOM 758 C CG . ASN A 1 98 ? -28.807 13.698 48.692 1.00 21.30 ? 103 ASN A CG 1 ATOM 759 O OD1 . ASN A 1 98 ? -29.979 13.306 48.531 1.00 22.04 ? 103 ASN A OD1 1 ATOM 760 N ND2 . ASN A 1 98 ? -28.266 13.885 49.892 1.00 21.18 ? 103 ASN A ND2 1 ATOM 761 N N . ASP A 1 99 ? -28.060 13.922 44.259 1.00 18.85 ? 104 ASP A N 1 ATOM 762 C CA . ASP A 1 99 ? -27.510 14.454 42.999 1.00 19.35 ? 104 ASP A CA 1 ATOM 763 C C . ASP A 1 99 ? -26.585 13.473 42.285 1.00 18.50 ? 104 ASP A C 1 ATOM 764 O O . ASP A 1 99 ? -25.565 13.837 41.683 1.00 19.94 ? 104 ASP A O 1 ATOM 765 C CB . ASP A 1 99 ? -26.836 15.812 43.223 1.00 18.90 ? 104 ASP A CB 1 ATOM 766 C CG . ASP A 1 99 ? -27.679 16.739 44.042 1.00 25.47 ? 104 ASP A CG 1 ATOM 767 O OD1 . ASP A 1 99 ? -28.728 17.164 43.542 1.00 29.03 ? 104 ASP A OD1 1 ATOM 768 O OD2 . ASP A 1 99 ? -27.248 17.053 45.183 1.00 30.71 ? 104 ASP A OD2 1 ATOM 769 N N . TYR A 1 100 ? -27.004 12.211 42.311 1.00 18.77 ? 105 TYR A N 1 ATOM 770 C CA . TYR A 1 100 ? -26.203 11.152 41.752 1.00 18.67 ? 105 TYR A CA 1 ATOM 771 C C . TYR A 1 100 ? -26.068 11.262 40.242 1.00 18.06 ? 105 TYR A C 1 ATOM 772 O O . TYR A 1 100 ? -24.994 11.107 39.681 1.00 18.82 ? 105 TYR A O 1 ATOM 773 C CB . TYR A 1 100 ? -26.839 9.835 42.123 1.00 18.56 ? 105 TYR A CB 1 ATOM 774 C CG . TYR A 1 100 ? -26.021 8.604 41.780 1.00 18.13 ? 105 TYR A CG 1 ATOM 775 C CD1 . TYR A 1 100 ? -24.627 8.536 42.029 1.00 20.31 ? 105 TYR A CD1 1 ATOM 776 C CD2 . TYR A 1 100 ? -26.653 7.503 41.209 1.00 20.10 ? 105 TYR A CD2 1 ATOM 777 C CE1 . TYR A 1 100 ? -23.917 7.381 41.700 1.00 21.02 ? 105 TYR A CE1 1 ATOM 778 C CE2 . TYR A 1 100 ? -25.965 6.367 40.896 1.00 18.30 ? 105 TYR A CE2 1 ATOM 779 C CZ . TYR A 1 100 ? -24.577 6.312 41.142 1.00 19.39 ? 105 TYR A CZ 1 ATOM 780 O OH . TYR A 1 100 ? -23.913 5.155 40.822 1.00 22.08 ? 105 TYR A OH 1 ATOM 781 N N . GLU A 1 101 ? -27.192 11.572 39.576 1.00 18.62 ? 106 GLU A N 1 ATOM 782 C CA . GLU A 1 101 ? -27.117 11.738 38.127 1.00 19.34 ? 106 GLU A CA 1 ATOM 783 C C . GLU A 1 101 ? -26.299 12.936 37.674 1.00 18.56 ? 106 GLU A C 1 ATOM 784 O O . GLU A 1 101 ? -25.654 12.902 36.635 1.00 18.92 ? 106 GLU A O 1 ATOM 785 C CB . GLU A 1 101 ? -28.535 11.793 37.546 1.00 20.11 ? 106 GLU A CB 1 ATOM 786 C CG . GLU A 1 101 ? -29.298 10.474 37.695 1.00 23.33 ? 106 GLU A CG 1 ATOM 787 C CD . GLU A 1 101 ? -29.752 10.184 39.114 1.00 22.48 ? 106 GLU A CD 1 ATOM 788 O OE1 . GLU A 1 101 ? -30.013 11.116 39.917 1.00 23.51 ? 106 GLU A OE1 1 ATOM 789 O OE2 . GLU A 1 101 ? -29.847 8.969 39.406 1.00 32.16 ? 106 GLU A OE2 1 ATOM 790 N N . GLU A 1 102 ? -26.302 14.004 38.468 1.00 18.91 ? 107 GLU A N 1 ATOM 791 C CA . GLU A 1 102 ? -25.411 15.126 38.210 1.00 17.90 ? 107 GLU A CA 1 ATOM 792 C C . GLU A 1 102 ? -23.945 14.706 38.318 1.00 17.88 ? 107 GLU A C 1 ATOM 793 O O . GLU A 1 102 ? -23.111 15.100 37.501 1.00 18.72 ? 107 GLU A O 1 ATOM 794 C CB . GLU A 1 102 ? -25.686 16.253 39.196 1.00 18.63 ? 107 GLU A CB 1 ATOM 795 C CG . GLU A 1 102 ? -26.961 17.025 38.830 1.00 17.13 ? 107 GLU A CG 1 ATOM 796 C CD . GLU A 1 102 ? -26.749 17.962 37.632 1.00 18.76 ? 107 GLU A CD 1 ATOM 797 O OE1 . GLU A 1 102 ? -25.761 18.701 37.627 1.00 19.75 ? 107 GLU A OE1 1 ATOM 798 O OE2 . GLU A 1 102 ? -27.576 17.948 36.672 1.00 18.35 ? 107 GLU A OE2 1 ATOM 799 N N . LEU A 1 103 ? -23.664 13.854 39.302 1.00 18.70 ? 108 LEU A N 1 ATOM 800 C CA . LEU A 1 103 ? -22.295 13.328 39.437 1.00 19.83 ? 108 LEU A CA 1 ATOM 801 C C . LEU A 1 103 ? -21.896 12.471 38.216 1.00 19.17 ? 108 LEU A C 1 ATOM 802 O O . LEU A 1 103 ? -20.774 12.619 37.653 1.00 20.16 ? 108 LEU A O 1 ATOM 803 C CB . LEU A 1 103 ? -22.119 12.550 40.753 1.00 20.48 ? 108 LEU A CB 1 ATOM 804 C CG . LEU A 1 103 ? -20.710 11.992 40.942 1.00 21.57 ? 108 LEU A CG 1 ATOM 805 C CD1 . LEU A 1 103 ? -19.672 13.085 40.840 1.00 26.39 ? 108 LEU A CD1 1 ATOM 806 C CD2 . LEU A 1 103 ? -20.700 11.367 42.314 1.00 24.79 ? 108 LEU A CD2 1 ATOM 807 N N . LYS A 1 104 ? -22.814 11.606 37.773 1.00 19.60 ? 109 LYS A N 1 ATOM 808 C CA . LYS A 1 104 ? -22.541 10.813 36.587 1.00 21.33 ? 109 LYS A CA 1 ATOM 809 C C . LYS A 1 104 ? -22.325 11.694 35.359 1.00 20.61 ? 109 LYS A C 1 ATOM 810 O O . LYS A 1 104 ? -21.446 11.409 34.523 1.00 20.82 ? 109 LYS A O 1 ATOM 811 C CB . LYS A 1 104 ? -23.627 9.753 36.344 1.00 21.74 ? 109 LYS A CB 1 ATOM 812 C CG . LYS A 1 104 ? -23.787 8.774 37.533 1.00 22.77 ? 109 LYS A CG 1 ATOM 813 C CD . LYS A 1 104 ? -24.928 7.764 37.362 1.00 25.62 ? 109 LYS A CD 1 ATOM 814 C CE . LYS A 1 104 ? -24.456 6.450 36.777 1.00 28.99 ? 109 LYS A CE 1 ATOM 815 N NZ . LYS A 1 104 ? -25.609 5.472 36.658 1.00 27.59 ? 109 LYS A NZ 1 ATOM 816 N N . HIS A 1 105 ? -23.056 12.810 35.263 1.00 19.84 ? 110 HIS A N 1 ATOM 817 C CA . HIS A 1 105 ? -22.883 13.709 34.141 1.00 20.19 ? 110 HIS A CA 1 ATOM 818 C C . HIS A 1 105 ? -21.508 14.379 34.178 1.00 20.94 ? 110 HIS A C 1 ATOM 819 O O . HIS A 1 105 ? -20.868 14.579 33.142 1.00 20.90 ? 110 HIS A O 1 ATOM 820 C CB . HIS A 1 105 ? -23.987 14.771 34.119 1.00 20.51 ? 110 HIS A CB 1 ATOM 821 C CG . HIS A 1 105 ? -23.839 15.748 33.011 1.00 20.23 ? 110 HIS A CG 1 ATOM 822 N ND1 . HIS A 1 105 ? -24.043 15.411 31.689 1.00 21.80 ? 110 HIS A ND1 1 ATOM 823 C CD2 . HIS A 1 105 ? -23.488 17.053 33.023 1.00 21.15 ? 110 HIS A CD2 1 ATOM 824 C CE1 . HIS A 1 105 ? -23.820 16.474 30.938 1.00 23.06 ? 110 HIS A CE1 1 ATOM 825 N NE2 . HIS A 1 105 ? -23.458 17.475 31.721 1.00 22.60 ? 110 HIS A NE2 1 ATOM 826 N N . LEU A 1 106 ? -21.073 14.735 35.380 1.00 21.17 ? 111 LEU A N 1 ATOM 827 C CA . LEU A 1 106 ? -19.719 15.271 35.535 1.00 23.18 ? 111 LEU A CA 1 ATOM 828 C C . LEU A 1 106 ? -18.703 14.302 34.928 1.00 23.74 ? 111 LEU A C 1 ATOM 829 O O . LEU A 1 106 ? -17.754 14.729 34.261 1.00 23.89 ? 111 LEU A O 1 ATOM 830 C CB . LEU A 1 106 ? -19.387 15.538 36.999 1.00 23.96 ? 111 LEU A CB 1 ATOM 831 C CG . LEU A 1 106 ? -17.901 15.903 37.215 1.00 25.51 ? 111 LEU A CG 1 ATOM 832 C CD1 . LEU A 1 106 ? -17.524 17.208 36.505 1.00 28.59 ? 111 LEU A CD1 1 ATOM 833 C CD2 . LEU A 1 106 ? -17.588 15.938 38.711 1.00 27.87 ? 111 LEU A CD2 1 ATOM 834 N N . LEU A 1 107 ? -18.909 13.005 35.141 1.00 24.24 ? 112 LEU A N 1 ATOM 835 C CA . LEU A 1 107 ? -17.940 12.022 34.643 1.00 26.36 ? 112 LEU A CA 1 ATOM 836 C C . LEU A 1 107 ? -17.765 11.991 33.119 1.00 27.63 ? 112 LEU A C 1 ATOM 837 O O . LEU A 1 107 ? -16.721 11.525 32.641 1.00 29.41 ? 112 LEU A O 1 ATOM 838 C CB . LEU A 1 107 ? -18.259 10.647 35.198 1.00 26.38 ? 112 LEU A CB 1 ATOM 839 C CG . LEU A 1 107 ? -17.978 10.565 36.693 1.00 27.62 ? 112 LEU A CG 1 ATOM 840 C CD1 . LEU A 1 107 ? -18.383 9.213 37.211 1.00 29.87 ? 112 LEU A CD1 1 ATOM 841 C CD2 . LEU A 1 107 ? -16.489 10.814 37.034 1.00 31.58 ? 112 LEU A CD2 1 ATOM 842 N N A SER A 1 108 ? -18.745 12.518 32.369 0.50 26.93 ? 113 SER A N 1 ATOM 843 N N B SER A 1 108 ? -18.751 12.494 32.375 0.50 27.26 ? 113 SER A N 1 ATOM 844 C CA A SER A 1 108 ? -18.677 12.627 30.888 0.50 26.82 ? 113 SER A CA 1 ATOM 845 C CA B SER A 1 108 ? -18.650 12.557 30.915 0.50 27.45 ? 113 SER A CA 1 ATOM 846 C C A SER A 1 108 ? -17.681 13.674 30.380 0.50 26.55 ? 113 SER A C 1 ATOM 847 C C B SER A 1 108 ? -17.537 13.483 30.428 0.50 27.19 ? 113 SER A C 1 ATOM 848 O O A SER A 1 108 ? -17.518 13.894 29.160 0.50 26.25 ? 113 SER A O 1 ATOM 849 O O B SER A 1 108 ? -17.149 13.412 29.258 0.50 28.17 ? 113 SER A O 1 ATOM 850 C CB A SER A 1 108 ? -20.065 12.954 30.318 0.50 26.69 ? 113 SER A CB 1 ATOM 851 C CB B SER A 1 108 ? -19.985 12.998 30.302 0.50 27.33 ? 113 SER A CB 1 ATOM 852 O OG A SER A 1 108 ? -20.995 11.947 30.653 0.50 27.54 ? 113 SER A OG 1 ATOM 853 O OG B SER A 1 108 ? -20.154 14.389 30.462 0.50 28.67 ? 113 SER A OG 1 ATOM 854 N N . SER A 1 109 ? -17.034 14.358 31.308 1.00 26.16 ? 114 SER A N 1 ATOM 855 C CA . SER A 1 109 ? -16.031 15.339 30.930 1.00 26.28 ? 114 SER A CA 1 ATOM 856 C C . SER A 1 109 ? -14.755 15.089 31.731 1.00 25.47 ? 114 SER A C 1 ATOM 857 O O . SER A 1 109 ? -13.839 15.911 31.682 1.00 26.24 ? 114 SER A O 1 ATOM 858 C CB . SER A 1 109 ? -16.551 16.770 31.082 1.00 27.75 ? 114 SER A CB 1 ATOM 859 O OG . SER A 1 109 ? -16.989 17.008 32.398 1.00 30.96 ? 114 SER A OG 1 ATOM 860 N N . VAL A 1 110 ? -14.707 13.961 32.450 1.00 24.62 ? 115 VAL A N 1 ATOM 861 C CA . VAL A 1 110 ? -13.510 13.606 33.256 1.00 23.61 ? 115 VAL A CA 1 ATOM 862 C C . VAL A 1 110 ? -12.921 12.294 32.726 1.00 23.07 ? 115 VAL A C 1 ATOM 863 O O . VAL A 1 110 ? -13.651 11.306 32.506 1.00 22.88 ? 115 VAL A O 1 ATOM 864 C CB . VAL A 1 110 ? -13.823 13.436 34.779 1.00 23.65 ? 115 VAL A CB 1 ATOM 865 C CG1 . VAL A 1 110 ? -12.574 12.969 35.573 1.00 24.34 ? 115 VAL A CG1 1 ATOM 866 C CG2 . VAL A 1 110 ? -14.387 14.726 35.368 1.00 24.09 ? 115 VAL A CG2 1 ATOM 867 N N . LYS A 1 111 ? -11.596 12.270 32.542 1.00 22.01 ? 116 LYS A N 1 ATOM 868 C CA . LYS A 1 111 ? -10.917 11.074 32.033 1.00 22.83 ? 116 LYS A CA 1 ATOM 869 C C . LYS A 1 111 ? -9.941 10.458 33.057 1.00 19.64 ? 116 LYS A C 1 ATOM 870 O O . LYS A 1 111 ? -9.406 9.379 32.819 1.00 20.38 ? 116 LYS A O 1 ATOM 871 C CB . LYS A 1 111 ? -10.126 11.346 30.739 1.00 22.57 ? 116 LYS A CB 1 ATOM 872 C CG . LYS A 1 111 ? -10.956 11.726 29.486 1.00 26.83 ? 116 LYS A CG 1 ATOM 873 C CD . LYS A 1 111 ? -9.956 12.219 28.414 1.00 27.90 ? 116 LYS A CD 1 ATOM 874 C CE . LYS A 1 111 ? -10.585 12.484 27.057 1.00 33.51 ? 116 LYS A CE 1 ATOM 875 N NZ . LYS A 1 111 ? -9.601 13.072 26.114 1.00 37.08 ? 116 LYS A NZ 1 ATOM 876 N N . HIS A 1 112 A -9.719 11.142 34.190 1.00 20.09 ? 116 HIS A N 1 ATOM 877 C CA . HIS A 1 112 A -8.865 10.571 35.235 1.00 19.32 ? 116 HIS A CA 1 ATOM 878 C C . HIS A 1 112 A -9.041 11.317 36.534 1.00 18.74 ? 116 HIS A C 1 ATOM 879 O O . HIS A 1 112 A -9.265 12.545 36.528 1.00 19.26 ? 116 HIS A O 1 ATOM 880 C CB . HIS A 1 112 A -7.377 10.664 34.852 1.00 18.34 ? 116 HIS A CB 1 ATOM 881 C CG . HIS A 1 112 A -6.492 9.776 35.665 1.00 19.55 ? 116 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 112 A -5.243 10.175 36.099 1.00 23.36 ? 116 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 112 A -6.685 8.523 36.145 1.00 20.98 ? 116 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 112 A -4.697 9.188 36.792 1.00 25.00 ? 116 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 112 A -5.547 8.176 36.834 1.00 24.72 ? 116 HIS A NE2 1 ATOM 886 N N . PHE A 1 113 B -8.930 10.572 37.636 1.00 19.07 ? 116 PHE A N 1 ATOM 887 C CA . PHE A 1 113 B -8.831 11.145 38.975 1.00 19.12 ? 116 PHE A CA 1 ATOM 888 C C . PHE A 1 113 B -7.486 10.772 39.598 1.00 19.64 ? 116 PHE A C 1 ATOM 889 O O . PHE A 1 113 B -6.910 9.706 39.311 1.00 20.75 ? 116 PHE A O 1 ATOM 890 C CB . PHE A 1 113 B -9.888 10.522 39.897 1.00 19.09 ? 116 PHE A CB 1 ATOM 891 C CG . PHE A 1 113 B -11.298 10.982 39.654 1.00 19.09 ? 116 PHE A CG 1 ATOM 892 C CD1 . PHE A 1 113 B -11.637 12.339 39.663 1.00 20.20 ? 116 PHE A CD1 1 ATOM 893 C CD2 . PHE A 1 113 B -12.291 10.015 39.487 1.00 20.84 ? 116 PHE A CD2 1 ATOM 894 C CE1 . PHE A 1 113 B -12.971 12.759 39.488 1.00 19.17 ? 116 PHE A CE1 1 ATOM 895 C CE2 . PHE A 1 113 B -13.634 10.402 39.283 1.00 22.48 ? 116 PHE A CE2 1 ATOM 896 C CZ . PHE A 1 113 B -13.976 11.776 39.296 1.00 22.68 ? 116 PHE A CZ 1 ATOM 897 N N . GLU A 1 114 C -7.003 11.618 40.506 1.00 19.48 ? 116 GLU A N 1 ATOM 898 C CA . GLU A 1 114 C -5.969 11.219 41.457 1.00 21.11 ? 116 GLU A CA 1 ATOM 899 C C . GLU A 1 114 C -6.640 11.219 42.829 1.00 20.20 ? 116 GLU A C 1 ATOM 900 O O . GLU A 1 114 C -7.178 12.244 43.272 1.00 18.89 ? 116 GLU A O 1 ATOM 901 C CB . GLU A 1 114 C -4.813 12.220 41.476 1.00 21.13 ? 116 GLU A CB 1 ATOM 902 C CG . GLU A 1 114 C -3.919 12.178 40.250 1.00 25.97 ? 116 GLU A CG 1 ATOM 903 C CD . GLU A 1 114 C -2.840 13.265 40.251 1.00 27.54 ? 116 GLU A CD 1 ATOM 904 O OE1 . GLU A 1 114 C -2.348 13.663 41.347 1.00 31.08 ? 116 GLU A OE1 1 ATOM 905 O OE2 . GLU A 1 114 C -2.481 13.711 39.130 1.00 34.54 ? 116 GLU A OE2 1 ATOM 906 N N . LYS A 1 115 ? -6.683 10.049 43.467 1.00 20.96 ? 117 LYS A N 1 ATOM 907 C CA . LYS A 1 115 ? -7.298 9.926 44.780 1.00 22.01 ? 117 LYS A CA 1 ATOM 908 C C . LYS A 1 115 ? -6.285 10.399 45.796 1.00 21.95 ? 117 LYS A C 1 ATOM 909 O O . LYS A 1 115 ? -5.161 9.868 45.855 1.00 25.30 ? 117 LYS A O 1 ATOM 910 C CB . LYS A 1 115 ? -7.754 8.481 45.033 1.00 22.18 ? 117 LYS A CB 1 ATOM 911 C CG . LYS A 1 115 ? -8.763 8.381 46.169 1.00 23.58 ? 117 LYS A CG 1 ATOM 912 C CD . LYS A 1 115 ? -9.408 6.982 46.299 1.00 24.33 ? 117 LYS A CD 1 ATOM 913 C CE . LYS A 1 115 ? -8.484 5.990 46.922 1.00 23.37 ? 117 LYS A CE 1 ATOM 914 N NZ . LYS A 1 115 ? -9.138 4.622 47.121 1.00 18.68 ? 117 LYS A NZ 1 ATOM 915 N N . VAL A 1 116 ? -6.654 11.420 46.559 1.00 19.98 ? 118 VAL A N 1 ATOM 916 C CA . VAL A 1 116 ? -5.789 12.083 47.531 1.00 20.09 ? 118 VAL A CA 1 ATOM 917 C C . VAL A 1 116 ? -6.333 11.848 48.947 1.00 19.91 ? 118 VAL A C 1 ATOM 918 O O . VAL A 1 116 ? -7.519 12.031 49.185 1.00 19.29 ? 118 VAL A O 1 ATOM 919 C CB . VAL A 1 116 ? -5.792 13.625 47.263 1.00 20.71 ? 118 VAL A CB 1 ATOM 920 C CG1 . VAL A 1 116 ? -4.937 14.387 48.305 1.00 23.19 ? 118 VAL A CG1 1 ATOM 921 C CG2 . VAL A 1 116 ? -5.287 13.915 45.860 1.00 22.66 ? 118 VAL A CG2 1 ATOM 922 N N . LYS A 1 117 ? -5.460 11.447 49.888 1.00 20.47 ? 119 LYS A N 1 ATOM 923 C CA . LYS A 1 117 ? -5.909 11.157 51.272 1.00 20.98 ? 119 LYS A CA 1 ATOM 924 C C . LYS A 1 117 ? -6.004 12.475 52.030 1.00 21.55 ? 119 LYS A C 1 ATOM 925 O O . LYS A 1 117 ? -5.058 12.889 52.748 1.00 24.19 ? 119 LYS A O 1 ATOM 926 C CB . LYS A 1 117 ? -4.950 10.159 51.989 1.00 20.85 ? 119 LYS A CB 1 ATOM 927 C CG . LYS A 1 117 ? -5.518 9.666 53.319 1.00 24.07 ? 119 LYS A CG 1 ATOM 928 C CD . LYS A 1 117 ? -4.522 8.792 54.083 1.00 23.39 ? 119 LYS A CD 1 ATOM 929 C CE . LYS A 1 117 ? -4.571 7.360 53.615 1.00 26.65 ? 119 LYS A CE 1 ATOM 930 N NZ . LYS A 1 117 ? -3.502 6.604 54.327 1.00 30.60 ? 119 LYS A NZ 1 ATOM 931 N N . ILE A 1 118 ? -7.123 13.163 51.869 1.00 20.77 ? 120 ILE A N 1 ATOM 932 C CA . ILE A 1 118 ? -7.304 14.494 52.404 1.00 21.62 ? 120 ILE A CA 1 ATOM 933 C C . ILE A 1 118 ? -7.561 14.568 53.902 1.00 21.64 ? 120 ILE A C 1 ATOM 934 O O . ILE A 1 118 ? -7.266 15.597 54.508 1.00 23.21 ? 120 ILE A O 1 ATOM 935 C CB . ILE A 1 118 ? -8.423 15.269 51.630 1.00 21.66 ? 120 ILE A CB 1 ATOM 936 C CG1 . ILE A 1 118 ? -9.765 14.566 51.798 1.00 22.90 ? 120 ILE A CG1 1 ATOM 937 C CG2 . ILE A 1 118 ? -8.054 15.401 50.164 1.00 23.93 ? 120 ILE A CG2 1 ATOM 938 C CD1 . ILE A 1 118 ? -10.972 15.330 51.208 1.00 22.92 ? 120 ILE A CD1 1 ATOM 939 N N . LEU A 1 119 ? -8.163 13.530 54.495 1.00 20.22 ? 121 LEU A N 1 ATOM 940 C CA . LEU A 1 119 ? -8.499 13.549 55.915 1.00 20.46 ? 121 LEU A CA 1 ATOM 941 C C . LEU A 1 119 ? -8.101 12.233 56.550 1.00 21.14 ? 121 LEU A C 1 ATOM 942 O O . LEU A 1 119 ? -8.934 11.377 56.810 1.00 20.23 ? 121 LEU A O 1 ATOM 943 C CB . LEU A 1 119 ? -9.995 13.804 56.111 1.00 20.63 ? 121 LEU A CB 1 ATOM 944 C CG . LEU A 1 119 ? -10.458 15.205 55.678 1.00 22.91 ? 121 LEU A CG 1 ATOM 945 C CD1 . LEU A 1 119 ? -11.942 15.206 55.393 1.00 27.35 ? 121 LEU A CD1 1 ATOM 946 C CD2 . LEU A 1 119 ? -10.098 16.244 56.766 1.00 26.87 ? 121 LEU A CD2 1 ATOM 947 N N . PRO A 1 120 ? -6.807 12.046 56.759 1.00 22.42 ? 122 PRO A N 1 ATOM 948 C CA . PRO A 1 120 ? -6.306 10.746 57.156 1.00 22.33 ? 122 PRO A CA 1 ATOM 949 C C . PRO A 1 120 ? -7.011 10.300 58.422 1.00 23.05 ? 122 PRO A C 1 ATOM 950 O O . PRO A 1 120 ? -7.188 11.101 59.343 1.00 23.79 ? 122 PRO A O 1 ATOM 951 C CB . PRO A 1 120 ? -4.803 10.998 57.387 1.00 21.61 ? 122 PRO A CB 1 ATOM 952 C CG . PRO A 1 120 ? -4.628 12.457 57.386 1.00 24.80 ? 122 PRO A CG 1 ATOM 953 C CD . PRO A 1 120 ? -5.752 13.053 56.615 1.00 22.22 ? 122 PRO A CD 1 ATOM 954 N N . LYS A 1 121 ? -7.470 9.056 58.423 1.00 24.36 ? 123 LYS A N 1 ATOM 955 C CA . LYS A 1 121 ? -8.298 8.502 59.498 1.00 27.21 ? 123 LYS A CA 1 ATOM 956 C C . LYS A 1 121 ? -7.627 8.572 60.871 1.00 27.82 ? 123 LYS A C 1 ATOM 957 O O . LYS A 1 121 ? -8.302 8.753 61.889 1.00 27.78 ? 123 LYS A O 1 ATOM 958 C CB . LYS A 1 121 ? -8.602 7.038 59.158 1.00 28.28 ? 123 LYS A CB 1 ATOM 959 C CG . LYS A 1 121 ? -9.755 6.406 59.862 1.00 32.16 ? 123 LYS A CG 1 ATOM 960 C CD . LYS A 1 121 ? -9.809 4.908 59.536 1.00 33.25 ? 123 LYS A CD 1 ATOM 961 C CE . LYS A 1 121 ? -9.470 4.577 58.083 1.00 35.21 ? 123 LYS A CE 1 ATOM 962 N NZ . LYS A 1 121 ? -9.908 3.198 57.656 1.00 34.58 ? 123 LYS A NZ 1 ATOM 963 N N . ASP A 1 122 ? -6.299 8.464 60.896 1.00 29.32 ? 125 ASP A N 1 ATOM 964 C CA . ASP A 1 122 ? -5.566 8.448 62.162 1.00 30.88 ? 125 ASP A CA 1 ATOM 965 C C . ASP A 1 122 ? -5.630 9.766 62.934 1.00 30.70 ? 125 ASP A C 1 ATOM 966 O O . ASP A 1 122 ? -5.212 9.830 64.096 1.00 31.86 ? 125 ASP A O 1 ATOM 967 C CB . ASP A 1 122 ? -4.105 7.959 61.961 1.00 31.55 ? 125 ASP A CB 1 ATOM 968 C CG . ASP A 1 122 ? -3.190 9.000 61.271 1.00 34.53 ? 125 ASP A CG 1 ATOM 969 O OD1 . ASP A 1 122 ? -3.668 9.835 60.486 1.00 38.29 ? 125 ASP A OD1 1 ATOM 970 O OD2 . ASP A 1 122 ? -1.955 8.977 61.507 1.00 38.47 ? 125 ASP A OD2 1 ATOM 971 N N . ARG A 1 123 ? -6.139 10.822 62.298 1.00 29.81 ? 126 ARG A N 1 ATOM 972 C CA . ARG A 1 123 ? -6.193 12.143 62.905 1.00 30.32 ? 126 ARG A CA 1 ATOM 973 C C . ARG A 1 123 ? -7.486 12.365 63.701 1.00 29.86 ? 126 ARG A C 1 ATOM 974 O O . ARG A 1 123 ? -7.632 13.388 64.386 1.00 30.23 ? 126 ARG A O 1 ATOM 975 C CB . ARG A 1 123 ? -5.974 13.229 61.836 1.00 30.68 ? 126 ARG A CB 1 ATOM 976 C CG . ARG A 1 123 ? -4.523 13.297 61.283 1.00 32.52 ? 126 ARG A CG 1 ATOM 977 C CD . ARG A 1 123 ? -3.621 14.149 62.187 1.00 36.38 ? 126 ARG A CD 1 ATOM 978 N NE . ARG A 1 123 ? -2.233 14.152 61.725 1.00 39.78 ? 126 ARG A NE 1 ATOM 979 C CZ . ARG A 1 123 ? -1.232 14.797 62.325 1.00 41.00 ? 126 ARG A CZ 1 ATOM 980 N NH1 . ARG A 1 123 ? -1.443 15.503 63.430 1.00 41.60 ? 126 ARG A NH1 1 ATOM 981 N NH2 . ARG A 1 123 ? -0.009 14.727 61.820 1.00 40.96 ? 126 ARG A NH2 1 ATOM 982 N N . TRP A 1 124 ? -8.425 11.416 63.586 1.00 29.14 ? 127 TRP A N 1 ATOM 983 C CA . TRP A 1 124 ? -9.638 11.423 64.402 1.00 28.67 ? 127 TRP A CA 1 ATOM 984 C C . TRP A 1 124 ? -9.301 10.827 65.771 1.00 30.35 ? 127 TRP A C 1 ATOM 985 O O . TRP A 1 124 ? -9.724 9.716 66.108 1.00 31.21 ? 127 TRP A O 1 ATOM 986 C CB . TRP A 1 124 ? -10.770 10.605 63.744 1.00 27.21 ? 127 TRP A CB 1 ATOM 987 C CG . TRP A 1 124 ? -11.303 11.168 62.448 1.00 24.70 ? 127 TRP A CG 1 ATOM 988 C CD1 . TRP A 1 124 ? -11.213 10.587 61.202 1.00 23.53 ? 127 TRP A CD1 1 ATOM 989 C CD2 . TRP A 1 124 ? -12.017 12.391 62.267 1.00 24.42 ? 127 TRP A CD2 1 ATOM 990 N NE1 . TRP A 1 124 ? -11.822 11.373 60.276 1.00 21.27 ? 127 TRP A NE1 1 ATOM 991 C CE2 . TRP A 1 124 ? -12.349 12.483 60.891 1.00 22.39 ? 127 TRP A CE2 1 ATOM 992 C CE3 . TRP A 1 124 ? -12.442 13.408 63.131 1.00 22.58 ? 127 TRP A CE3 1 ATOM 993 C CZ2 . TRP A 1 124 ? -13.048 13.573 60.359 1.00 23.18 ? 127 TRP A CZ2 1 ATOM 994 C CZ3 . TRP A 1 124 ? -13.136 14.464 62.610 1.00 22.19 ? 127 TRP A CZ3 1 ATOM 995 C CH2 . TRP A 1 124 ? -13.431 14.555 61.232 1.00 24.39 ? 127 TRP A CH2 1 ATOM 996 N N . THR A 1 125 ? -8.534 11.577 66.561 1.00 31.59 ? 128 THR A N 1 ATOM 997 C CA . THR A 1 125 ? -7.999 11.047 67.814 1.00 33.08 ? 128 THR A CA 1 ATOM 998 C C . THR A 1 125 ? -9.023 10.983 68.952 1.00 33.50 ? 128 THR A C 1 ATOM 999 O O . THR A 1 125 ? -8.765 10.338 69.976 1.00 34.85 ? 128 THR A O 1 ATOM 1000 C CB . THR A 1 125 ? -6.782 11.858 68.278 1.00 32.36 ? 128 THR A CB 1 ATOM 1001 O OG1 . THR A 1 125 ? -7.123 13.246 68.275 1.00 34.26 ? 128 THR A OG1 1 ATOM 1002 C CG2 . THR A 1 125 ? -5.598 11.620 67.346 1.00 34.63 ? 128 THR A CG2 1 ATOM 1003 N N . GLN A 1 126 ? -10.169 11.641 68.781 1.00 33.30 ? 129 GLN A N 1 ATOM 1004 C CA . GLN A 1 126 ? -11.191 11.681 69.828 1.00 33.04 ? 129 GLN A CA 1 ATOM 1005 C C . GLN A 1 126 ? -12.381 10.770 69.510 1.00 32.14 ? 129 GLN A C 1 ATOM 1006 O O . GLN A 1 126 ? -13.357 10.727 70.261 1.00 31.95 ? 129 GLN A O 1 ATOM 1007 C CB . GLN A 1 126 ? -11.684 13.115 70.063 1.00 33.18 ? 129 GLN A CB 1 ATOM 1008 C CG . GLN A 1 126 ? -10.641 14.121 70.553 1.00 35.02 ? 129 GLN A CG 1 ATOM 1009 C CD . GLN A 1 126 ? -11.301 15.424 70.977 1.00 35.66 ? 129 GLN A CD 1 ATOM 1010 O OE1 . GLN A 1 126 ? -11.396 16.380 70.192 1.00 38.57 ? 129 GLN A OE1 1 ATOM 1011 N NE2 . GLN A 1 126 ? -11.792 15.463 72.219 1.00 38.98 ? 129 GLN A NE2 1 ATOM 1012 N N . HIS A 1 127 ? -12.306 10.048 68.393 1.00 31.00 ? 130 HIS A N 1 ATOM 1013 C CA . HIS A 1 127 ? -13.425 9.195 67.962 1.00 29.67 ? 130 HIS A CA 1 ATOM 1014 C C . HIS A 1 127 ? -12.919 7.832 67.512 1.00 29.25 ? 130 HIS A C 1 ATOM 1015 O O . HIS A 1 127 ? -11.769 7.696 67.093 1.00 30.03 ? 130 HIS A O 1 ATOM 1016 C CB . HIS A 1 127 ? -14.194 9.856 66.805 1.00 29.17 ? 130 HIS A CB 1 ATOM 1017 C CG . HIS A 1 127 ? -14.900 11.122 67.182 1.00 28.00 ? 130 HIS A CG 1 ATOM 1018 N ND1 . HIS A 1 127 ? -14.257 12.342 67.240 1.00 27.80 ? 130 HIS A ND1 1 ATOM 1019 C CD2 . HIS A 1 127 ? -16.186 11.361 67.528 1.00 29.37 ? 130 HIS A CD2 1 ATOM 1020 C CE1 . HIS A 1 127 ? -15.120 13.278 67.594 1.00 28.88 ? 130 HIS A CE1 1 ATOM 1021 N NE2 . HIS A 1 127 ? -16.297 12.706 67.785 1.00 28.49 ? 130 HIS A NE2 1 ATOM 1022 N N . THR A 1 128 ? -13.791 6.831 67.587 1.00 29.13 ? 131 THR A N 1 ATOM 1023 C CA . THR A 1 128 ? -13.528 5.494 67.049 1.00 28.76 ? 131 THR A CA 1 ATOM 1024 C C . THR A 1 128 ? -13.746 5.520 65.533 1.00 28.17 ? 131 THR A C 1 ATOM 1025 O O . THR A 1 128 ? -14.702 6.122 65.056 1.00 28.20 ? 131 THR A O 1 ATOM 1026 C CB . THR A 1 128 ? -14.472 4.471 67.694 1.00 29.83 ? 131 THR A CB 1 ATOM 1027 O OG1 . THR A 1 128 ? -14.213 4.424 69.103 1.00 31.29 ? 131 THR A OG1 1 ATOM 1028 C CG2 . THR A 1 128 ? -14.294 3.082 67.111 1.00 28.10 ? 131 THR A CG2 1 ATOM 1029 N N . THR A 1 129 ? -12.873 4.850 64.793 1.00 28.24 ? 132 THR A N 1 ATOM 1030 C CA . THR A 1 129 ? -12.940 4.891 63.323 1.00 28.82 ? 132 THR A CA 1 ATOM 1031 C C . THR A 1 129 ? -12.958 3.530 62.655 1.00 29.07 ? 132 THR A C 1 ATOM 1032 O O . THR A 1 129 ? -12.883 3.443 61.422 1.00 29.28 ? 132 THR A O 1 ATOM 1033 C CB . THR A 1 129 ? -11.774 5.712 62.716 1.00 28.73 ? 132 THR A CB 1 ATOM 1034 O OG1 . THR A 1 129 ? -10.519 5.147 63.129 1.00 31.61 ? 132 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 129 ? -11.857 7.185 63.125 1.00 29.67 ? 132 THR A CG2 1 ATOM 1036 N N . THR A 1 130 ? -13.060 2.467 63.452 1.00 29.26 ? 133 THR A N 1 ATOM 1037 C CA . THR A 1 130 ? -12.961 1.105 62.938 1.00 29.95 ? 133 THR A CA 1 ATOM 1038 C C . THR A 1 130 ? -14.329 0.519 62.637 1.00 29.77 ? 133 THR A C 1 ATOM 1039 O O . THR A 1 130 ? -14.427 -0.616 62.167 1.00 30.40 ? 133 THR A O 1 ATOM 1040 C CB . THR A 1 130 ? -12.225 0.166 63.922 1.00 30.86 ? 133 THR A CB 1 ATOM 1041 O OG1 . THR A 1 130 ? -12.752 0.360 65.239 1.00 32.98 ? 133 THR A OG1 1 ATOM 1042 C CG2 . THR A 1 130 ? -10.740 0.441 63.925 1.00 31.61 ? 133 THR A CG2 1 ATOM 1043 N N . GLY A 1 131 ? -15.367 1.314 62.881 1.00 29.17 ? 134 GLY A N 1 ATOM 1044 C CA . GLY A 1 131 ? -16.757 0.903 62.674 1.00 27.90 ? 134 GLY A CA 1 ATOM 1045 C C . GLY A 1 131 ? -17.042 0.385 61.278 1.00 26.87 ? 134 GLY A C 1 ATOM 1046 O O . GLY A 1 131 ? -16.579 0.955 60.275 1.00 26.54 ? 134 GLY A O 1 ATOM 1047 N N . GLY A 1 132 ? -17.856 -0.673 61.248 1.00 26.20 ? 135 GLY A N 1 ATOM 1048 C CA . GLY A 1 132 ? -18.227 -1.389 60.033 1.00 23.83 ? 135 GLY A CA 1 ATOM 1049 C C . GLY A 1 132 ? -19.591 -2.054 60.182 1.00 23.38 ? 135 GLY A C 1 ATOM 1050 O O . GLY A 1 132 ? -20.288 -1.889 61.193 1.00 23.97 ? 135 GLY A O 1 ATOM 1051 N N . SER A 1 133 ? -20.018 -2.763 59.150 1.00 20.97 ? 136 SER A N 1 ATOM 1052 C CA . SER A 1 133 ? -21.333 -3.381 59.144 1.00 20.33 ? 136 SER A CA 1 ATOM 1053 C C . SER A 1 133 ? -21.246 -4.728 58.435 1.00 20.33 ? 136 SER A C 1 ATOM 1054 O O . SER A 1 133 ? -20.425 -4.936 57.535 1.00 19.85 ? 136 SER A O 1 ATOM 1055 C CB . SER A 1 133 ? -22.331 -2.514 58.379 1.00 21.22 ? 136 SER A CB 1 ATOM 1056 O OG . SER A 1 133 ? -23.581 -3.176 58.270 1.00 20.82 ? 136 SER A OG 1 ATOM 1057 N N . ARG A 1 134 ? -22.095 -5.651 58.865 1.00 21.48 ? 137 ARG A N 1 ATOM 1058 C CA . ARG A 1 134 ? -22.270 -6.888 58.140 1.00 22.85 ? 137 ARG A CA 1 ATOM 1059 C C . ARG A 1 134 ? -22.773 -6.679 56.715 1.00 22.49 ? 137 ARG A C 1 ATOM 1060 O O . ARG A 1 134 ? -22.601 -7.559 55.860 1.00 23.09 ? 137 ARG A O 1 ATOM 1061 C CB . ARG A 1 134 ? -23.206 -7.818 58.919 1.00 24.27 ? 137 ARG A CB 1 ATOM 1062 C CG . ARG A 1 134 ? -22.506 -8.369 60.151 1.00 29.26 ? 137 ARG A CG 1 ATOM 1063 C CD . ARG A 1 134 ? -22.686 -9.869 60.265 1.00 35.33 ? 137 ARG A CD 1 ATOM 1064 N NE . ARG A 1 134 ? -22.082 -10.513 59.105 1.00 42.09 ? 137 ARG A NE 1 ATOM 1065 C CZ . ARG A 1 134 ? -20.850 -11.018 59.076 1.00 43.11 ? 137 ARG A CZ 1 ATOM 1066 N NH1 . ARG A 1 134 ? -20.086 -11.003 60.166 1.00 43.23 ? 137 ARG A NH1 1 ATOM 1067 N NH2 . ARG A 1 134 ? -20.396 -11.565 57.955 1.00 45.45 ? 137 ARG A NH2 1 ATOM 1068 N N . ALA A 1 135 ? -23.426 -5.533 56.466 1.00 21.43 ? 138 ALA A N 1 ATOM 1069 C CA . ALA A 1 135 ? -23.894 -5.229 55.125 1.00 21.96 ? 138 ALA A CA 1 ATOM 1070 C C . ALA A 1 135 ? -22.723 -5.046 54.169 1.00 21.86 ? 138 ALA A C 1 ATOM 1071 O O . ALA A 1 135 ? -22.897 -5.164 52.943 1.00 23.48 ? 138 ALA A O 1 ATOM 1072 C CB . ALA A 1 135 ? -24.771 -3.962 55.138 1.00 21.10 ? 138 ALA A CB 1 ATOM 1073 N N . CYS A 1 136 ? -21.555 -4.730 54.741 1.00 20.92 ? 139 CYS A N 1 ATOM 1074 C CA . CYS A 1 136 ? -20.326 -4.489 53.973 1.00 21.66 ? 139 CYS A CA 1 ATOM 1075 C C . CYS A 1 136 ? -19.287 -5.536 54.339 1.00 21.49 ? 139 CYS A C 1 ATOM 1076 O O . CYS A 1 136 ? -18.096 -5.214 54.329 1.00 23.42 ? 139 CYS A O 1 ATOM 1077 C CB . CYS A 1 136 ? -19.687 -3.137 54.295 1.00 20.67 ? 139 CYS A CB 1 ATOM 1078 S SG . CYS A 1 136 ? -20.847 -1.758 54.338 1.00 24.91 ? 139 CYS A SG 1 ATOM 1079 N N . ALA A 1 137 ? -19.723 -6.758 54.658 1.00 22.06 ? 140 ALA A N 1 ATOM 1080 C CA . ALA A 1 137 ? -18.798 -7.737 55.249 1.00 22.63 ? 140 ALA A CA 1 ATOM 1081 C C . ALA A 1 137 ? -17.724 -8.165 54.274 1.00 22.87 ? 140 ALA A C 1 ATOM 1082 O O . ALA A 1 137 ? -17.974 -8.255 53.065 1.00 24.48 ? 140 ALA A O 1 ATOM 1083 C CB . ALA A 1 137 ? -19.543 -8.958 55.754 1.00 22.44 ? 140 ALA A CB 1 ATOM 1084 N N . VAL A 1 138 ? -16.535 -8.430 54.820 1.00 22.18 ? 141 VAL A N 1 ATOM 1085 C CA . VAL A 1 138 ? -15.411 -8.935 54.043 1.00 22.52 ? 141 VAL A CA 1 ATOM 1086 C C . VAL A 1 138 ? -14.879 -10.131 54.824 1.00 21.79 ? 141 VAL A C 1 ATOM 1087 O O . VAL A 1 138 ? -14.629 -10.026 56.021 1.00 22.41 ? 141 VAL A O 1 ATOM 1088 C CB . VAL A 1 138 ? -14.319 -7.857 53.877 1.00 22.41 ? 141 VAL A CB 1 ATOM 1089 C CG1 . VAL A 1 138 ? -13.100 -8.396 53.160 1.00 25.43 ? 141 VAL A CG1 1 ATOM 1090 C CG2 . VAL A 1 138 ? -14.874 -6.666 53.090 1.00 24.00 ? 141 VAL A CG2 1 ATOM 1091 N N . SER A 1 139 ? -14.754 -11.277 54.153 1.00 22.39 ? 142 SER A N 1 ATOM 1092 C CA . SER A 1 139 ? -14.254 -12.470 54.794 1.00 22.93 ? 142 SER A CA 1 ATOM 1093 C C . SER A 1 139 ? -14.991 -12.804 56.094 1.00 23.58 ? 142 SER A C 1 ATOM 1094 O O . SER A 1 139 ? -14.395 -13.235 57.094 1.00 23.88 ? 142 SER A O 1 ATOM 1095 C CB . SER A 1 139 ? -12.748 -12.352 54.994 1.00 23.63 ? 142 SER A CB 1 ATOM 1096 O OG . SER A 1 139 ? -12.121 -12.342 53.722 1.00 22.71 ? 142 SER A OG 1 ATOM 1097 N N . GLY A 1 140 ? -16.303 -12.570 56.054 1.00 23.54 ? 143 GLY A N 1 ATOM 1098 C CA . GLY A 1 140 ? -17.176 -12.935 57.152 1.00 25.01 ? 143 GLY A CA 1 ATOM 1099 C C . GLY A 1 140 ? -17.132 -12.030 58.362 1.00 25.35 ? 143 GLY A C 1 ATOM 1100 O O . GLY A 1 140 ? -17.761 -12.338 59.387 1.00 26.80 ? 143 GLY A O 1 ATOM 1101 N N . ASN A 1 141 ? -16.416 -10.908 58.267 1.00 24.70 ? 144 ASN A N 1 ATOM 1102 C CA . ASN A 1 141 ? -16.452 -9.922 59.343 1.00 24.15 ? 144 ASN A CA 1 ATOM 1103 C C . ASN A 1 141 ? -16.954 -8.579 58.875 1.00 22.74 ? 144 ASN A C 1 ATOM 1104 O O . ASN A 1 141 ? -16.739 -8.213 57.733 1.00 23.26 ? 144 ASN A O 1 ATOM 1105 C CB . ASN A 1 141 ? -15.097 -9.750 59.987 1.00 24.78 ? 144 ASN A CB 1 ATOM 1106 C CG . ASN A 1 141 ? -14.725 -10.954 60.832 1.00 29.09 ? 144 ASN A CG 1 ATOM 1107 O OD1 . ASN A 1 141 ? -15.359 -11.234 61.863 1.00 35.25 ? 144 ASN A OD1 1 ATOM 1108 N ND2 . ASN A 1 141 ? -13.730 -11.693 60.383 1.00 33.53 ? 144 ASN A ND2 1 ATOM 1109 N N . PRO A 1 142 ? -17.582 -7.835 59.784 1.00 21.60 ? 145 PRO A N 1 ATOM 1110 C CA . PRO A 1 142 ? -18.016 -6.486 59.374 1.00 20.25 ? 145 PRO A CA 1 ATOM 1111 C C . PRO A 1 142 ? -16.877 -5.635 58.786 1.00 19.99 ? 145 PRO A C 1 ATOM 1112 O O . PRO A 1 142 ? -15.729 -5.677 59.257 1.00 21.94 ? 145 PRO A O 1 ATOM 1113 C CB . PRO A 1 142 ? -18.544 -5.882 60.680 1.00 20.01 ? 145 PRO A CB 1 ATOM 1114 C CG . PRO A 1 142 ? -18.948 -7.068 61.512 1.00 22.04 ? 145 PRO A CG 1 ATOM 1115 C CD . PRO A 1 142 ? -17.950 -8.135 61.180 1.00 21.19 ? 145 PRO A CD 1 ATOM 1116 N N . SER A 1 143 ? -17.212 -4.841 57.771 1.00 19.72 ? 146 SER A N 1 ATOM 1117 C CA . SER A 1 143 ? -16.266 -3.918 57.192 1.00 19.80 ? 146 SER A CA 1 ATOM 1118 C C . SER A 1 143 ? -17.035 -2.683 56.704 1.00 19.18 ? 146 SER A C 1 ATOM 1119 O O . SER A 1 143 ? -18.161 -2.459 57.115 1.00 17.80 ? 146 SER A O 1 ATOM 1120 C CB . SER A 1 143 ? -15.449 -4.605 56.094 1.00 20.33 ? 146 SER A CB 1 ATOM 1121 O OG . SER A 1 143 ? -14.267 -3.884 55.838 1.00 23.97 ? 146 SER A OG 1 ATOM 1122 N N . PHE A 1 144 ? -16.412 -1.897 55.840 1.00 19.00 ? 147 PHE A N 1 ATOM 1123 C CA . PHE A 1 144 ? -17.012 -0.637 55.445 1.00 18.37 ? 147 PHE A CA 1 ATOM 1124 C C . PHE A 1 144 ? -16.413 -0.140 54.139 1.00 17.76 ? 147 PHE A C 1 ATOM 1125 O O . PHE A 1 144 ? -15.355 -0.599 53.699 1.00 18.21 ? 147 PHE A O 1 ATOM 1126 C CB . PHE A 1 144 ? -16.827 0.445 56.536 1.00 18.77 ? 147 PHE A CB 1 ATOM 1127 C CG . PHE A 1 144 ? -17.830 1.582 56.448 1.00 17.47 ? 147 PHE A CG 1 ATOM 1128 C CD1 . PHE A 1 144 ? -19.199 1.292 56.402 1.00 18.11 ? 147 PHE A CD1 1 ATOM 1129 C CD2 . PHE A 1 144 ? -17.400 2.917 56.417 1.00 18.39 ? 147 PHE A CD2 1 ATOM 1130 C CE1 . PHE A 1 144 ? -20.142 2.372 56.299 1.00 18.34 ? 147 PHE A CE1 1 ATOM 1131 C CE2 . PHE A 1 144 ? -18.316 3.966 56.366 1.00 17.25 ? 147 PHE A CE2 1 ATOM 1132 C CZ . PHE A 1 144 ? -19.663 3.699 56.295 1.00 17.56 ? 147 PHE A CZ 1 ATOM 1133 N N . PHE A 1 145 ? -17.142 0.776 53.500 1.00 17.47 ? 148 PHE A N 1 ATOM 1134 C CA . PHE A 1 145 ? -16.616 1.466 52.325 1.00 17.12 ? 148 PHE A CA 1 ATOM 1135 C C . PHE A 1 145 ? -15.169 1.892 52.561 1.00 17.16 ? 148 PHE A C 1 ATOM 1136 O O . PHE A 1 145 ? -14.850 2.516 53.569 1.00 19.39 ? 148 PHE A O 1 ATOM 1137 C CB . PHE A 1 145 ? -17.440 2.731 52.060 1.00 17.26 ? 148 PHE A CB 1 ATOM 1138 C CG . PHE A 1 145 ? -18.915 2.470 51.803 1.00 17.26 ? 148 PHE A CG 1 ATOM 1139 C CD1 . PHE A 1 145 ? -19.346 1.987 50.568 1.00 18.34 ? 148 PHE A CD1 1 ATOM 1140 C CD2 . PHE A 1 145 ? -19.883 2.762 52.793 1.00 17.96 ? 148 PHE A CD2 1 ATOM 1141 C CE1 . PHE A 1 145 ? -20.728 1.774 50.306 1.00 20.74 ? 148 PHE A CE1 1 ATOM 1142 C CE2 . PHE A 1 145 ? -21.235 2.558 52.557 1.00 18.14 ? 148 PHE A CE2 1 ATOM 1143 C CZ . PHE A 1 145 ? -21.667 2.070 51.287 1.00 18.15 ? 148 PHE A CZ 1 ATOM 1144 N N . ARG A 1 146 ? -14.293 1.597 51.619 1.00 18.07 ? 149 ARG A N 1 ATOM 1145 C CA . ARG A 1 146 ? -12.844 1.802 51.832 1.00 17.81 ? 149 ARG A CA 1 ATOM 1146 C C . ARG A 1 146 ? -12.458 3.279 51.876 1.00 18.21 ? 149 ARG A C 1 ATOM 1147 O O . ARG A 1 146 ? -11.407 3.629 52.468 1.00 19.28 ? 149 ARG A O 1 ATOM 1148 C CB . ARG A 1 146 ? -12.030 1.170 50.705 1.00 18.87 ? 149 ARG A CB 1 ATOM 1149 C CG . ARG A 1 146 ? -12.315 -0.319 50.409 1.00 26.29 ? 149 ARG A CG 1 ATOM 1150 C CD . ARG A 1 146 ? -12.242 -1.156 51.587 1.00 29.78 ? 149 ARG A CD 1 ATOM 1151 N NE . ARG A 1 146 ? -12.038 -2.577 51.247 1.00 27.54 ? 149 ARG A NE 1 ATOM 1152 C CZ . ARG A 1 146 ? -11.858 -3.527 52.158 1.00 33.78 ? 149 ARG A CZ 1 ATOM 1153 N NH1 . ARG A 1 146 ? -11.834 -3.230 53.448 1.00 35.90 ? 149 ARG A NH1 1 ATOM 1154 N NH2 . ARG A 1 146 ? -11.662 -4.781 51.765 1.00 33.39 ? 149 ARG A NH2 1 ATOM 1155 N N . ASN A 1 147 ? -13.256 4.123 51.194 1.00 17.20 ? 150 ASN A N 1 ATOM 1156 C CA . ASN A 1 147 ? -12.880 5.539 51.064 1.00 16.77 ? 150 ASN A CA 1 ATOM 1157 C C . ASN A 1 147 ? -13.475 6.437 52.143 1.00 17.61 ? 150 ASN A C 1 ATOM 1158 O O . ASN A 1 147 ? -13.196 7.673 52.162 1.00 17.35 ? 150 ASN A O 1 ATOM 1159 C CB . ASN A 1 147 ? -13.192 6.047 49.652 1.00 16.72 ? 150 ASN A CB 1 ATOM 1160 C CG . ASN A 1 147 ? -12.379 5.331 48.613 1.00 16.18 ? 150 ASN A CG 1 ATOM 1161 O OD1 . ASN A 1 147 ? -11.238 4.883 48.902 1.00 19.11 ? 150 ASN A OD1 1 ATOM 1162 N ND2 . ASN A 1 147 ? -12.916 5.233 47.391 1.00 15.79 ? 150 ASN A ND2 1 ATOM 1163 N N . MET A 1 148 ? -14.266 5.819 53.027 1.00 16.69 ? 151 MET A N 1 ATOM 1164 C CA . MET A 1 148 ? -15.078 6.569 53.993 1.00 17.18 ? 151 MET A CA 1 ATOM 1165 C C . MET A 1 148 ? -14.725 6.094 55.394 1.00 17.60 ? 151 MET A C 1 ATOM 1166 O O . MET A 1 148 ? -14.151 5.003 55.588 1.00 19.83 ? 151 MET A O 1 ATOM 1167 C CB . MET A 1 148 ? -16.575 6.307 53.767 1.00 17.59 ? 151 MET A CB 1 ATOM 1168 C CG . MET A 1 148 ? -17.070 6.455 52.326 1.00 17.87 ? 151 MET A CG 1 ATOM 1169 S SD . MET A 1 148 ? -16.694 8.128 51.679 1.00 19.01 ? 151 MET A SD 1 ATOM 1170 C CE . MET A 1 148 ? -17.794 9.158 52.626 1.00 18.30 ? 151 MET A CE 1 ATOM 1171 N N . VAL A 1 149 ? -15.105 6.909 56.376 1.00 17.29 ? 152 VAL A N 1 ATOM 1172 C CA . VAL A 1 149 ? -14.797 6.656 57.765 1.00 18.68 ? 152 VAL A CA 1 ATOM 1173 C C . VAL A 1 149 ? -16.069 6.793 58.602 1.00 18.45 ? 152 VAL A C 1 ATOM 1174 O O . VAL A 1 149 ? -16.722 7.855 58.618 1.00 18.71 ? 152 VAL A O 1 ATOM 1175 C CB . VAL A 1 149 ? -13.767 7.670 58.276 1.00 18.91 ? 152 VAL A CB 1 ATOM 1176 C CG1 . VAL A 1 149 ? -13.385 7.322 59.717 1.00 21.15 ? 152 VAL A CG1 1 ATOM 1177 C CG2 . VAL A 1 149 ? -12.535 7.705 57.391 1.00 20.09 ? 152 VAL A CG2 1 ATOM 1178 N N . TRP A 1 150 ? -16.424 5.725 59.306 1.00 18.95 ? 153 TRP A N 1 ATOM 1179 C CA . TRP A 1 150 ? -17.602 5.731 60.155 1.00 20.32 ? 153 TRP A CA 1 ATOM 1180 C C . TRP A 1 150 ? -17.146 6.114 61.557 1.00 21.39 ? 153 TRP A C 1 ATOM 1181 O O . TRP A 1 150 ? -16.546 5.308 62.268 1.00 22.92 ? 153 TRP A O 1 ATOM 1182 C CB . TRP A 1 150 ? -18.237 4.341 60.136 1.00 19.90 ? 153 TRP A CB 1 ATOM 1183 C CG . TRP A 1 150 ? -19.634 4.262 60.652 1.00 19.14 ? 153 TRP A CG 1 ATOM 1184 C CD1 . TRP A 1 150 ? -20.309 5.177 61.444 1.00 21.34 ? 153 TRP A CD1 1 ATOM 1185 C CD2 . TRP A 1 150 ? -20.529 3.163 60.457 1.00 18.35 ? 153 TRP A CD2 1 ATOM 1186 N NE1 . TRP A 1 150 ? -21.579 4.697 61.726 1.00 20.16 ? 153 TRP A NE1 1 ATOM 1187 C CE2 . TRP A 1 150 ? -21.742 3.476 61.122 1.00 19.36 ? 153 TRP A CE2 1 ATOM 1188 C CE3 . TRP A 1 150 ? -20.436 1.962 59.740 1.00 20.60 ? 153 TRP A CE3 1 ATOM 1189 C CZ2 . TRP A 1 150 ? -22.842 2.616 61.103 1.00 19.92 ? 153 TRP A CZ2 1 ATOM 1190 C CZ3 . TRP A 1 150 ? -21.507 1.107 59.741 1.00 21.41 ? 153 TRP A CZ3 1 ATOM 1191 C CH2 . TRP A 1 150 ? -22.708 1.447 60.390 1.00 21.72 ? 153 TRP A CH2 1 ATOM 1192 N N . LEU A 1 151 ? -17.392 7.365 61.944 1.00 21.05 ? 154 LEU A N 1 ATOM 1193 C CA . LEU A 1 151 ? -16.974 7.829 63.285 1.00 22.87 ? 154 LEU A CA 1 ATOM 1194 C C . LEU A 1 151 ? -17.997 7.363 64.316 1.00 22.25 ? 154 LEU A C 1 ATOM 1195 O O . LEU A 1 151 ? -19.187 7.532 64.133 1.00 22.93 ? 154 LEU A O 1 ATOM 1196 C CB . LEU A 1 151 ? -16.879 9.357 63.332 1.00 23.33 ? 154 LEU A CB 1 ATOM 1197 C CG . LEU A 1 151 ? -15.736 10.080 62.588 1.00 24.77 ? 154 LEU A CG 1 ATOM 1198 C CD1 . LEU A 1 151 ? -15.846 9.982 61.092 1.00 30.69 ? 154 LEU A CD1 1 ATOM 1199 C CD2 . LEU A 1 151 ? -15.728 11.557 62.935 1.00 25.17 ? 154 LEU A CD2 1 ATOM 1200 N N . THR A 1 152 ? -17.530 6.745 65.386 1.00 24.41 ? 155 THR A N 1 ATOM 1201 C CA . THR A 1 152 ? -18.449 6.353 66.444 1.00 26.53 ? 155 THR A CA 1 ATOM 1202 C C . THR A 1 152 ? -17.867 6.800 67.778 1.00 27.94 ? 155 THR A C 1 ATOM 1203 O O . THR A 1 152 ? -16.796 7.395 67.822 1.00 28.46 ? 155 THR A O 1 ATOM 1204 C CB . THR A 1 152 ? -18.713 4.834 66.437 1.00 25.55 ? 155 THR A CB 1 ATOM 1205 O OG1 . THR A 1 152 ? -17.481 4.115 66.525 1.00 27.44 ? 155 THR A OG1 1 ATOM 1206 C CG2 . THR A 1 152 ? -19.460 4.407 65.140 1.00 25.74 ? 155 THR A CG2 1 ATOM 1207 N N . GLU A 1 153 ? -18.607 6.525 68.846 1.00 30.53 ? 156 GLU A N 1 ATOM 1208 C CA . GLU A 1 153 ? -18.199 6.803 70.223 1.00 33.08 ? 156 GLU A CA 1 ATOM 1209 C C . GLU A 1 153 ? -16.840 6.213 70.573 1.00 33.10 ? 156 GLU A C 1 ATOM 1210 O O . GLU A 1 153 ? -16.501 5.101 70.157 1.00 33.03 ? 156 GLU A O 1 ATOM 1211 C CB . GLU A 1 153 ? -19.289 6.241 71.163 1.00 33.32 ? 156 GLU A CB 1 ATOM 1212 C CG . GLU A 1 153 ? -18.816 5.826 72.558 1.00 37.16 ? 156 GLU A CG 1 ATOM 1213 C CD . GLU A 1 153 ? -18.279 4.415 72.621 1.00 40.46 ? 156 GLU A CD 1 ATOM 1214 O OE1 . GLU A 1 153 ? -18.983 3.473 72.192 1.00 42.33 ? 156 GLU A OE1 1 ATOM 1215 O OE2 . GLU A 1 153 ? -17.148 4.247 73.123 1.00 43.78 ? 156 GLU A OE2 1 ATOM 1216 N N . LYS A 1 154 ? -16.071 6.958 71.369 1.00 34.89 ? 157 LYS A N 1 ATOM 1217 C CA . LYS A 1 154 ? -14.829 6.468 71.944 1.00 35.60 ? 157 LYS A CA 1 ATOM 1218 C C . LYS A 1 154 ? -14.816 6.766 73.451 1.00 36.58 ? 157 LYS A C 1 ATOM 1219 O O . LYS A 1 154 ? -15.089 7.898 73.867 1.00 36.19 ? 157 LYS A O 1 ATOM 1220 C CB . LYS A 1 154 ? -13.625 7.124 71.276 1.00 35.95 ? 157 LYS A CB 1 ATOM 1221 C CG . LYS A 1 154 ? -12.275 6.575 71.737 1.00 36.25 ? 157 LYS A CG 1 ATOM 1222 C CD . LYS A 1 154 ? -11.158 7.382 71.105 1.00 36.87 ? 157 LYS A CD 1 ATOM 1223 C CE . LYS A 1 154 ? -9.790 6.955 71.577 1.00 38.28 ? 157 LYS A CE 1 ATOM 1224 N NZ . LYS A 1 154 ? -8.875 8.123 71.430 1.00 38.71 ? 157 LYS A NZ 1 ATOM 1225 N N . GLY A 1 155 ? -14.528 5.737 74.246 1.00 37.66 ? 158 GLY A N 1 ATOM 1226 C CA . GLY A 1 155 ? -14.527 5.849 75.716 1.00 38.77 ? 158 GLY A CA 1 ATOM 1227 C C . GLY A 1 155 ? -15.897 6.244 76.230 1.00 39.51 ? 158 GLY A C 1 ATOM 1228 O O . GLY A 1 155 ? -16.025 6.880 77.280 1.00 40.36 ? 158 GLY A O 1 ATOM 1229 N N . SER A 1 156 ? -16.918 5.856 75.472 1.00 39.56 ? 159 SER A N 1 ATOM 1230 C CA . SER A 1 156 ? -18.311 6.229 75.715 1.00 39.42 ? 159 SER A CA 1 ATOM 1231 C C . SER A 1 156 ? -18.642 7.716 75.507 1.00 39.15 ? 159 SER A C 1 ATOM 1232 O O . SER A 1 156 ? -19.672 8.202 75.979 1.00 39.72 ? 159 SER A O 1 ATOM 1233 C CB . SER A 1 156 ? -18.795 5.710 77.070 1.00 39.65 ? 159 SER A CB 1 ATOM 1234 O OG . SER A 1 156 ? -20.146 5.319 76.956 1.00 41.45 ? 159 SER A OG 1 ATOM 1235 N N . ASN A 1 157 ? -17.789 8.425 74.763 1.00 38.25 ? 160 ASN A N 1 ATOM 1236 C CA . ASN A 1 157 ? -18.058 9.813 74.392 1.00 37.34 ? 160 ASN A CA 1 ATOM 1237 C C . ASN A 1 157 ? -17.956 10.089 72.898 1.00 35.98 ? 160 ASN A C 1 ATOM 1238 O O . ASN A 1 157 ? -17.155 9.472 72.200 1.00 36.14 ? 160 ASN A O 1 ATOM 1239 C CB . ASN A 1 157 ? -17.123 10.774 75.124 1.00 37.98 ? 160 ASN A CB 1 ATOM 1240 C CG . ASN A 1 157 ? -17.679 11.214 76.454 1.00 39.73 ? 160 ASN A CG 1 ATOM 1241 O OD1 . ASN A 1 157 ? -17.744 10.430 77.397 1.00 41.92 ? 160 ASN A OD1 1 ATOM 1242 N ND2 . ASN A 1 157 ? -18.099 12.474 76.534 1.00 42.96 ? 160 ASN A ND2 1 ATOM 1243 N N . TYR A 1 158 ? -18.762 11.038 72.439 1.00 34.33 ? 161 TYR A N 1 ATOM 1244 C CA . TYR A 1 158 ? -18.650 11.568 71.078 1.00 32.84 ? 161 TYR A CA 1 ATOM 1245 C C . TYR A 1 158 ? -18.606 13.111 71.138 1.00 32.49 ? 161 TYR A C 1 ATOM 1246 O O . TYR A 1 158 ? -19.638 13.768 71.077 1.00 33.14 ? 161 TYR A O 1 ATOM 1247 C CB . TYR A 1 158 ? -19.813 11.056 70.202 1.00 31.29 ? 161 TYR A CB 1 ATOM 1248 C CG . TYR A 1 158 ? -19.670 11.273 68.694 1.00 28.67 ? 161 TYR A CG 1 ATOM 1249 C CD1 . TYR A 1 158 ? -19.625 10.203 67.812 1.00 25.99 ? 161 TYR A CD1 1 ATOM 1250 C CD2 . TYR A 1 158 ? -19.628 12.554 68.153 1.00 28.90 ? 161 TYR A CD2 1 ATOM 1251 C CE1 . TYR A 1 158 ? -19.514 10.404 66.423 1.00 25.19 ? 161 TYR A CE1 1 ATOM 1252 C CE2 . TYR A 1 158 ? -19.497 12.776 66.758 1.00 27.25 ? 161 TYR A CE2 1 ATOM 1253 C CZ . TYR A 1 158 ? -19.450 11.688 65.907 1.00 27.80 ? 161 TYR A CZ 1 ATOM 1254 O OH . TYR A 1 158 ? -19.366 11.897 64.540 1.00 26.68 ? 161 TYR A OH 1 ATOM 1255 N N . PRO A 1 159 ? -17.397 13.701 71.257 1.00 33.03 ? 162 PRO A N 1 ATOM 1256 C CA . PRO A 1 159 ? -17.268 15.170 71.154 1.00 32.77 ? 162 PRO A CA 1 ATOM 1257 C C . PRO A 1 159 ? -17.531 15.718 69.744 1.00 33.10 ? 162 PRO A C 1 ATOM 1258 O O . PRO A 1 159 ? -17.640 14.930 68.789 1.00 32.43 ? 162 PRO A O 1 ATOM 1259 C CB . PRO A 1 159 ? -15.818 15.439 71.576 1.00 33.48 ? 162 PRO A CB 1 ATOM 1260 C CG . PRO A 1 159 ? -15.111 14.149 71.449 1.00 33.49 ? 162 PRO A CG 1 ATOM 1261 C CD . PRO A 1 159 ? -16.111 13.030 71.499 1.00 32.74 ? 162 PRO A CD 1 ATOM 1262 N N . VAL A 1 160 ? -17.644 17.039 69.598 1.00 31.40 ? 163 VAL A N 1 ATOM 1263 C CA . VAL A 1 160 ? -17.915 17.605 68.276 1.00 31.03 ? 163 VAL A CA 1 ATOM 1264 C C . VAL A 1 160 ? -16.745 17.176 67.412 1.00 30.07 ? 163 VAL A C 1 ATOM 1265 O O . VAL A 1 160 ? -15.590 17.263 67.825 1.00 31.16 ? 163 VAL A O 1 ATOM 1266 C CB . VAL A 1 160 ? -18.101 19.147 68.274 1.00 30.14 ? 163 VAL A CB 1 ATOM 1267 C CG1 . VAL A 1 160 ? -18.608 19.639 66.902 1.00 31.31 ? 163 VAL A CG1 1 ATOM 1268 C CG2 . VAL A 1 160 ? -19.116 19.546 69.334 1.00 33.53 ? 163 VAL A CG2 1 ATOM 1269 N N . ALA A 1 161 ? -17.069 16.622 66.256 1.00 28.35 ? 164 ALA A N 1 ATOM 1270 C CA . ALA A 1 161 ? -16.067 16.135 65.318 1.00 28.05 ? 164 ALA A CA 1 ATOM 1271 C C . ALA A 1 161 ? -15.886 17.228 64.302 1.00 26.94 ? 164 ALA A C 1 ATOM 1272 O O . ALA A 1 161 ? -16.852 17.645 63.650 1.00 27.11 ? 164 ALA A O 1 ATOM 1273 C CB . ALA A 1 161 ? -16.576 14.877 64.654 1.00 27.25 ? 164 ALA A CB 1 ATOM 1274 N N . LYS A 1 162 ? -14.648 17.706 64.160 1.00 27.79 ? 165 LYS A N 1 ATOM 1275 C CA . LYS A 1 162 ? -14.352 18.788 63.233 1.00 27.67 ? 165 LYS A CA 1 ATOM 1276 C C . LYS A 1 162 ? -13.168 18.331 62.386 1.00 26.19 ? 165 LYS A C 1 ATOM 1277 O O . LYS A 1 162 ? -12.160 17.875 62.906 1.00 25.22 ? 165 LYS A O 1 ATOM 1278 C CB . LYS A 1 162 ? -14.012 20.092 63.977 1.00 28.74 ? 165 LYS A CB 1 ATOM 1279 C CG . LYS A 1 162 ? -15.004 20.480 65.082 1.00 31.49 ? 165 LYS A CG 1 ATOM 1280 C CD . LYS A 1 162 ? -14.351 21.419 66.122 1.00 31.82 ? 165 LYS A CD 1 ATOM 1281 C CE . LYS A 1 162 ? -15.004 21.274 67.508 1.00 38.30 ? 165 LYS A CE 1 ATOM 1282 N NZ . LYS A 1 162 ? -14.706 22.429 68.433 1.00 40.48 ? 165 LYS A NZ 1 ATOM 1283 N N . GLY A 1 163 ? -13.313 18.433 61.078 1.00 25.34 ? 166 GLY A N 1 ATOM 1284 C CA . GLY A 1 163 ? -12.180 18.212 60.166 1.00 24.41 ? 166 GLY A CA 1 ATOM 1285 C C . GLY A 1 163 ? -12.261 19.244 59.073 1.00 23.97 ? 166 GLY A C 1 ATOM 1286 O O . GLY A 1 163 ? -13.358 19.722 58.734 1.00 24.66 ? 166 GLY A O 1 ATOM 1287 N N . SER A 1 164 ? -11.110 19.636 58.528 1.00 22.77 ? 167 SER A N 1 ATOM 1288 C CA . SER A 1 164 ? -11.144 20.585 57.441 1.00 23.53 ? 167 SER A CA 1 ATOM 1289 C C . SER A 1 164 ? -10.029 20.276 56.474 1.00 22.20 ? 167 SER A C 1 ATOM 1290 O O . SER A 1 164 ? -9.012 19.672 56.849 1.00 22.12 ? 167 SER A O 1 ATOM 1291 C CB . SER A 1 164 ? -11.062 22.047 57.942 1.00 24.02 ? 167 SER A CB 1 ATOM 1292 O OG . SER A 1 164 ? -9.762 22.492 58.128 1.00 30.72 ? 167 SER A OG 1 ATOM 1293 N N . TYR A 1 165 ? -10.249 20.652 55.222 1.00 20.88 ? 168 TYR A N 1 ATOM 1294 C CA . TYR A 1 165 ? -9.228 20.432 54.187 1.00 19.78 ? 168 TYR A CA 1 ATOM 1295 C C . TYR A 1 165 ? -9.257 21.609 53.237 1.00 19.47 ? 168 TYR A C 1 ATOM 1296 O O . TYR A 1 165 ? -10.323 21.933 52.696 1.00 19.94 ? 168 TYR A O 1 ATOM 1297 C CB . TYR A 1 165 ? -9.490 19.120 53.419 1.00 18.86 ? 168 TYR A CB 1 ATOM 1298 C CG . TYR A 1 165 ? -8.598 18.974 52.218 1.00 17.88 ? 168 TYR A CG 1 ATOM 1299 C CD1 . TYR A 1 165 ? -7.240 18.708 52.371 1.00 19.22 ? 168 TYR A CD1 1 ATOM 1300 C CD2 . TYR A 1 165 ? -9.100 19.149 50.923 1.00 17.99 ? 168 TYR A CD2 1 ATOM 1301 C CE1 . TYR A 1 165 ? -6.414 18.592 51.263 1.00 17.70 ? 168 TYR A CE1 1 ATOM 1302 C CE2 . TYR A 1 165 ? -8.284 19.027 49.813 1.00 17.66 ? 168 TYR A CE2 1 ATOM 1303 C CZ . TYR A 1 165 ? -6.922 18.796 49.991 1.00 19.62 ? 168 TYR A CZ 1 ATOM 1304 O OH . TYR A 1 165 ? -6.092 18.705 48.885 1.00 20.68 ? 168 TYR A OH 1 ATOM 1305 N N . ASN A 1 166 ? -8.081 22.202 53.010 1.00 19.16 ? 169 ASN A N 1 ATOM 1306 C CA . ASN A 1 166 ? -7.910 23.236 51.995 1.00 19.26 ? 169 ASN A CA 1 ATOM 1307 C C . ASN A 1 166 ? -7.406 22.597 50.704 1.00 19.74 ? 169 ASN A C 1 ATOM 1308 O O . ASN A 1 166 ? -6.346 21.952 50.715 1.00 19.91 ? 169 ASN A O 1 ATOM 1309 C CB . ASN A 1 166 ? -6.897 24.264 52.534 1.00 20.31 ? 169 ASN A CB 1 ATOM 1310 C CG . ASN A 1 166 ? -6.673 25.432 51.607 1.00 23.09 ? 169 ASN A CG 1 ATOM 1311 O OD1 . ASN A 1 166 ? -7.034 25.403 50.430 1.00 24.73 ? 169 ASN A OD1 1 ATOM 1312 N ND2 . ASN A 1 166 ? -6.057 26.488 52.160 1.00 23.94 ? 169 ASN A ND2 1 ATOM 1313 N N . ASN A 1 167 ? -8.161 22.725 49.619 1.00 19.51 ? 170 ASN A N 1 ATOM 1314 C CA . ASN A 1 167 ? -7.743 22.136 48.340 1.00 19.21 ? 170 ASN A CA 1 ATOM 1315 C C . ASN A 1 167 ? -6.549 22.839 47.682 1.00 19.56 ? 170 ASN A C 1 ATOM 1316 O O . ASN A 1 167 ? -6.712 23.757 46.862 1.00 20.14 ? 170 ASN A O 1 ATOM 1317 C CB . ASN A 1 167 ? -8.930 22.098 47.359 1.00 19.40 ? 170 ASN A CB 1 ATOM 1318 C CG . ASN A 1 167 ? -8.587 21.426 46.029 1.00 17.20 ? 170 ASN A CG 1 ATOM 1319 O OD1 . ASN A 1 167 ? -7.499 20.858 45.872 1.00 19.44 ? 170 ASN A OD1 1 ATOM 1320 N ND2 . ASN A 1 167 ? -9.486 21.513 45.057 1.00 19.60 ? 170 ASN A ND2 1 ATOM 1321 N N . THR A 1 168 ? -5.352 22.343 48.013 1.00 20.57 ? 171 THR A N 1 ATOM 1322 C CA . THR A 1 168 ? -4.098 22.857 47.458 1.00 21.11 ? 171 THR A CA 1 ATOM 1323 C C . THR A 1 168 ? -3.626 21.934 46.332 1.00 21.25 ? 171 THR A C 1 ATOM 1324 O O . THR A 1 168 ? -2.489 22.038 45.874 1.00 21.98 ? 171 THR A O 1 ATOM 1325 C CB . THR A 1 168 ? -3.001 22.895 48.539 1.00 20.54 ? 171 THR A CB 1 ATOM 1326 O OG1 . THR A 1 168 ? -2.874 21.593 49.136 1.00 22.20 ? 171 THR A OG1 1 ATOM 1327 C CG2 . THR A 1 168 ? -3.344 23.892 49.613 1.00 23.15 ? 171 THR A CG2 1 ATOM 1328 N N . SER A 1 169 ? -4.508 21.035 45.881 1.00 21.58 ? 172 SER A N 1 ATOM 1329 C CA . SER A 1 169 ? -4.080 19.945 44.968 1.00 22.08 ? 172 SER A CA 1 ATOM 1330 C C . SER A 1 169 ? -3.782 20.383 43.537 1.00 23.49 ? 172 SER A C 1 ATOM 1331 O O . SER A 1 169 ? -3.177 19.598 42.758 1.00 24.40 ? 172 SER A O 1 ATOM 1332 C CB . SER A 1 169 ? -5.143 18.846 44.919 1.00 21.91 ? 172 SER A CB 1 ATOM 1333 O OG . SER A 1 169 ? -6.227 19.242 44.085 1.00 22.02 ? 172 SER A OG 1 ATOM 1334 N N . GLY A 1 170 ? -4.221 21.578 43.165 1.00 22.78 ? 173 GLY A N 1 ATOM 1335 C CA . GLY A 1 170 ? -4.024 22.093 41.804 1.00 24.08 ? 173 GLY A CA 1 ATOM 1336 C C . GLY A 1 170 ? -5.166 21.893 40.820 1.00 24.28 ? 173 GLY A C 1 ATOM 1337 O O . GLY A 1 170 ? -5.118 22.378 39.688 1.00 25.77 ? 173 GLY A O 1 ATOM 1338 N N . GLU A 1 171 ? -6.225 21.215 41.255 1.00 22.82 ? 174 GLU A N 1 ATOM 1339 C CA . GLU A 1 171 ? -7.401 21.070 40.423 1.00 23.12 ? 174 GLU A CA 1 ATOM 1340 C C . GLU A 1 171 ? -8.637 20.976 41.320 1.00 21.55 ? 174 GLU A C 1 ATOM 1341 O O . GLU A 1 171 ? -8.516 20.820 42.540 1.00 21.73 ? 174 GLU A O 1 ATOM 1342 C CB . GLU A 1 171 ? -7.301 19.853 39.514 1.00 24.43 ? 174 GLU A CB 1 ATOM 1343 C CG . GLU A 1 171 ? -7.047 20.187 38.024 1.00 30.53 ? 174 GLU A CG 1 ATOM 1344 C CD . GLU A 1 171 ? -8.355 20.496 37.246 1.00 35.44 ? 174 GLU A CD 1 ATOM 1345 O OE1 . GLU A 1 171 ? -9.392 20.798 37.892 1.00 36.63 ? 174 GLU A OE1 1 ATOM 1346 O OE2 . GLU A 1 171 ? -8.337 20.469 35.985 1.00 36.19 ? 174 GLU A OE2 1 ATOM 1347 N N . GLN A 1 172 ? -9.809 21.057 40.714 1.00 21.50 ? 175 GLN A N 1 ATOM 1348 C CA . GLN A 1 172 ? -11.050 20.864 41.468 1.00 21.47 ? 175 GLN A CA 1 ATOM 1349 C C . GLN A 1 172 ? -11.077 19.414 41.982 1.00 20.22 ? 175 GLN A C 1 ATOM 1350 O O . GLN A 1 172 ? -10.549 18.502 41.331 1.00 20.24 ? 175 GLN A O 1 ATOM 1351 C CB . GLN A 1 172 ? -12.266 21.072 40.586 1.00 22.58 ? 175 GLN A CB 1 ATOM 1352 C CG . GLN A 1 172 ? -12.473 22.477 40.097 1.00 25.45 ? 175 GLN A CG 1 ATOM 1353 C CD . GLN A 1 172 ? -13.753 22.585 39.280 1.00 30.45 ? 175 GLN A CD 1 ATOM 1354 O OE1 . GLN A 1 172 ? -13.924 21.865 38.290 1.00 33.33 ? 175 GLN A OE1 1 ATOM 1355 N NE2 . GLN A 1 172 ? -14.666 23.465 39.704 1.00 32.64 ? 175 GLN A NE2 1 ATOM 1356 N N . MET A 1 173 ? -11.679 19.235 43.153 1.00 20.10 ? 176 MET A N 1 ATOM 1357 C CA . MET A 1 173 ? -11.657 17.918 43.823 1.00 19.40 ? 176 MET A CA 1 ATOM 1358 C C . MET A 1 173 ? -13.049 17.475 44.235 1.00 19.56 ? 176 MET A C 1 ATOM 1359 O O . MET A 1 173 ? -13.750 18.234 44.907 1.00 19.49 ? 176 MET A O 1 ATOM 1360 C CB . MET A 1 173 ? -10.754 18.014 45.046 1.00 19.89 ? 176 MET A CB 1 ATOM 1361 C CG . MET A 1 173 ? -10.634 16.681 45.758 1.00 20.79 ? 176 MET A CG 1 ATOM 1362 S SD . MET A 1 173 ? -9.659 16.844 47.244 1.00 21.84 ? 176 MET A SD 1 ATOM 1363 C CE . MET A 1 173 ? -7.985 16.886 46.562 1.00 21.88 ? 176 MET A CE 1 ATOM 1364 N N . LEU A 1 174 ? -13.406 16.260 43.829 1.00 18.92 ? 177 LEU A N 1 ATOM 1365 C CA . LEU A 1 174 ? -14.709 15.677 44.194 1.00 19.58 ? 177 LEU A CA 1 ATOM 1366 C C . LEU A 1 174 ? -14.591 15.114 45.610 1.00 19.53 ? 177 LEU A C 1 ATOM 1367 O O . LEU A 1 174 ? -13.677 14.324 45.898 1.00 19.83 ? 177 LEU A O 1 ATOM 1368 C CB . LEU A 1 174 ? -15.064 14.557 43.225 1.00 20.00 ? 177 LEU A CB 1 ATOM 1369 C CG . LEU A 1 174 ? -16.200 13.642 43.686 1.00 21.70 ? 177 LEU A CG 1 ATOM 1370 C CD1 . LEU A 1 174 ? -17.484 14.449 43.643 1.00 22.55 ? 177 LEU A CD1 1 ATOM 1371 C CD2 . LEU A 1 174 ? -16.259 12.463 42.772 1.00 23.18 ? 177 LEU A CD2 1 ATOM 1372 N N . ILE A 1 175 ? -15.493 15.535 46.486 1.00 18.47 ? 178 ILE A N 1 ATOM 1373 C CA . ILE A 1 175 ? -15.519 15.055 47.877 1.00 17.88 ? 178 ILE A CA 1 ATOM 1374 C C . ILE A 1 175 ? -16.907 14.565 48.207 1.00 18.63 ? 178 ILE A C 1 ATOM 1375 O O . ILE A 1 175 ? -17.910 15.245 47.855 1.00 18.52 ? 178 ILE A O 1 ATOM 1376 C CB . ILE A 1 175 ? -15.068 16.140 48.884 1.00 19.31 ? 178 ILE A CB 1 ATOM 1377 C CG1 . ILE A 1 175 ? -13.650 16.597 48.502 1.00 18.55 ? 178 ILE A CG1 1 ATOM 1378 C CG2 . ILE A 1 175 ? -15.055 15.587 50.298 1.00 17.76 ? 178 ILE A CG2 1 ATOM 1379 C CD1 . ILE A 1 175 ? -13.123 17.703 49.353 1.00 19.94 ? 178 ILE A CD1 1 ATOM 1380 N N . ILE A 1 176 ? -16.962 13.377 48.823 1.00 16.69 ? 179 ILE A N 1 ATOM 1381 C CA . ILE A 1 176 ? -18.253 12.753 49.201 1.00 17.42 ? 179 ILE A CA 1 ATOM 1382 C C . ILE A 1 176 ? -18.322 12.607 50.718 1.00 17.37 ? 179 ILE A C 1 ATOM 1383 O O . ILE A 1 176 ? -17.307 12.351 51.372 1.00 17.92 ? 179 ILE A O 1 ATOM 1384 C CB . ILE A 1 176 ? -18.395 11.372 48.554 1.00 16.66 ? 179 ILE A CB 1 ATOM 1385 C CG1 . ILE A 1 176 ? -18.320 11.507 47.038 1.00 17.74 ? 179 ILE A CG1 1 ATOM 1386 C CG2 . ILE A 1 176 ? -19.683 10.708 48.961 1.00 18.54 ? 179 ILE A CG2 1 ATOM 1387 C CD1 . ILE A 1 176 ? -18.076 10.139 46.300 1.00 19.25 ? 179 ILE A CD1 1 ATOM 1388 N N . TRP A 1 177 ? -19.494 12.828 51.287 1.00 17.49 ? 180 TRP A N 1 ATOM 1389 C CA . TRP A 1 177 ? -19.678 12.556 52.716 1.00 18.01 ? 180 TRP A CA 1 ATOM 1390 C C . TRP A 1 177 ? -21.100 11.954 52.904 1.00 18.10 ? 180 TRP A C 1 ATOM 1391 O O . TRP A 1 177 ? -21.920 11.951 51.993 1.00 17.74 ? 180 TRP A O 1 ATOM 1392 C CB . TRP A 1 177 ? -19.521 13.825 53.572 1.00 19.49 ? 180 TRP A CB 1 ATOM 1393 C CG . TRP A 1 177 ? -20.562 14.873 53.228 1.00 19.93 ? 180 TRP A CG 1 ATOM 1394 C CD1 . TRP A 1 177 ? -21.779 15.068 53.833 1.00 23.91 ? 180 TRP A CD1 1 ATOM 1395 C CD2 . TRP A 1 177 ? -20.483 15.829 52.159 1.00 22.27 ? 180 TRP A CD2 1 ATOM 1396 N NE1 . TRP A 1 177 ? -22.456 16.108 53.222 1.00 23.61 ? 180 TRP A NE1 1 ATOM 1397 C CE2 . TRP A 1 177 ? -21.681 16.595 52.197 1.00 23.24 ? 180 TRP A CE2 1 ATOM 1398 C CE3 . TRP A 1 177 ? -19.509 16.139 51.191 1.00 22.57 ? 180 TRP A CE3 1 ATOM 1399 C CZ2 . TRP A 1 177 ? -21.940 17.616 51.285 1.00 23.05 ? 180 TRP A CZ2 1 ATOM 1400 C CZ3 . TRP A 1 177 ? -19.760 17.174 50.266 1.00 23.49 ? 180 TRP A CZ3 1 ATOM 1401 C CH2 . TRP A 1 177 ? -20.990 17.884 50.329 1.00 21.87 ? 180 TRP A CH2 1 ATOM 1402 N N . GLY A 1 178 ? -21.342 11.449 54.092 1.00 17.46 ? 181 GLY A N 1 ATOM 1403 C CA . GLY A 1 178 ? -22.682 10.896 54.386 1.00 18.02 ? 181 GLY A CA 1 ATOM 1404 C C . GLY A 1 178 ? -23.170 11.193 55.786 1.00 18.91 ? 181 GLY A C 1 ATOM 1405 O O . GLY A 1 178 ? -22.434 11.633 56.645 1.00 18.20 ? 181 GLY A O 1 ATOM 1406 N N . VAL A 1 179 ? -24.471 10.969 55.970 1.00 17.41 ? 182 VAL A N 1 ATOM 1407 C CA . VAL A 1 179 ? -25.126 10.991 57.283 1.00 18.48 ? 182 VAL A CA 1 ATOM 1408 C C . VAL A 1 179 ? -25.824 9.629 57.474 1.00 18.52 ? 182 VAL A C 1 ATOM 1409 O O . VAL A 1 179 ? -26.444 9.111 56.557 1.00 18.56 ? 182 VAL A O 1 ATOM 1410 C CB . VAL A 1 179 ? -26.178 12.133 57.370 1.00 19.33 ? 182 VAL A CB 1 ATOM 1411 C CG1 . VAL A 1 179 ? -27.252 11.997 56.305 1.00 23.14 ? 182 VAL A CG1 1 ATOM 1412 C CG2 . VAL A 1 179 ? -26.816 12.228 58.760 1.00 20.52 ? 182 VAL A CG2 1 ATOM 1413 N N . HIS A 1 180 ? -25.616 9.049 58.631 1.00 18.54 ? 183 HIS A N 1 ATOM 1414 C CA . HIS A 1 180 ? -26.272 7.800 58.984 1.00 17.97 ? 183 HIS A CA 1 ATOM 1415 C C . HIS A 1 180 ? -27.616 8.084 59.647 1.00 18.72 ? 183 HIS A C 1 ATOM 1416 O O . HIS A 1 180 ? -27.664 8.767 60.672 1.00 17.46 ? 183 HIS A O 1 ATOM 1417 C CB . HIS A 1 180 ? -25.387 7.046 59.953 1.00 19.17 ? 183 HIS A CB 1 ATOM 1418 C CG . HIS A 1 180 ? -25.925 5.703 60.328 1.00 18.54 ? 183 HIS A CG 1 ATOM 1419 N ND1 . HIS A 1 180 ? -25.751 5.176 61.587 1.00 21.05 ? 183 HIS A ND1 1 ATOM 1420 C CD2 . HIS A 1 180 ? -26.629 4.779 59.626 1.00 20.24 ? 183 HIS A CD2 1 ATOM 1421 C CE1 . HIS A 1 180 ? -26.327 3.987 61.653 1.00 19.76 ? 183 HIS A CE1 1 ATOM 1422 N NE2 . HIS A 1 180 ? -26.857 3.717 60.471 1.00 19.02 ? 183 HIS A NE2 1 ATOM 1423 N N . HIS A 1 181 ? -28.667 7.510 59.063 1.00 17.64 ? 184 HIS A N 1 ATOM 1424 C CA . HIS A 1 181 ? -30.036 7.561 59.595 1.00 18.88 ? 184 HIS A CA 1 ATOM 1425 C C . HIS A 1 181 ? -30.311 6.219 60.239 1.00 18.52 ? 184 HIS A C 1 ATOM 1426 O O . HIS A 1 181 ? -30.594 5.236 59.538 1.00 18.91 ? 184 HIS A O 1 ATOM 1427 C CB . HIS A 1 181 ? -31.019 7.770 58.447 1.00 18.52 ? 184 HIS A CB 1 ATOM 1428 C CG . HIS A 1 181 ? -30.821 9.065 57.720 1.00 20.24 ? 184 HIS A CG 1 ATOM 1429 N ND1 . HIS A 1 181 ? -31.023 10.296 58.308 1.00 20.69 ? 184 HIS A ND1 1 ATOM 1430 C CD2 . HIS A 1 181 ? -30.442 9.308 56.441 1.00 22.71 ? 184 HIS A CD2 1 ATOM 1431 C CE1 . HIS A 1 181 ? -30.772 11.247 57.415 1.00 23.44 ? 184 HIS A CE1 1 ATOM 1432 N NE2 . HIS A 1 181 ? -30.430 10.675 56.275 1.00 21.76 ? 184 HIS A NE2 1 ATOM 1433 N N . PRO A 1 182 ? -30.234 6.147 61.574 1.00 18.86 ? 185 PRO A N 1 ATOM 1434 C CA . PRO A 1 182 ? -30.393 4.851 62.213 1.00 20.36 ? 185 PRO A CA 1 ATOM 1435 C C . PRO A 1 182 ? -31.804 4.261 62.166 1.00 21.38 ? 185 PRO A C 1 ATOM 1436 O O . PRO A 1 182 ? -32.783 4.933 61.828 1.00 20.81 ? 185 PRO A O 1 ATOM 1437 C CB . PRO A 1 182 ? -29.990 5.118 63.667 1.00 20.78 ? 185 PRO A CB 1 ATOM 1438 C CG . PRO A 1 182 ? -29.207 6.449 63.626 1.00 21.04 ? 185 PRO A CG 1 ATOM 1439 C CD . PRO A 1 182 ? -29.910 7.207 62.539 1.00 19.74 ? 185 PRO A CD 1 ATOM 1440 N N . ASN A 1 183 ? -31.890 2.986 62.514 1.00 22.96 ? 186 ASN A N 1 ATOM 1441 C CA . ASN A 1 183 ? -33.179 2.289 62.531 1.00 25.02 ? 186 ASN A CA 1 ATOM 1442 C C . ASN A 1 183 ? -33.932 2.612 63.820 1.00 26.48 ? 186 ASN A C 1 ATOM 1443 O O . ASN A 1 183 ? -35.180 2.745 63.838 1.00 26.64 ? 186 ASN A O 1 ATOM 1444 C CB . ASN A 1 183 ? -32.902 0.767 62.393 1.00 25.39 ? 186 ASN A CB 1 ATOM 1445 C CG . ASN A 1 183 ? -34.182 -0.095 62.399 1.00 27.80 ? 186 ASN A CG 1 ATOM 1446 O OD1 . ASN A 1 183 ? -34.910 -0.181 61.404 1.00 28.82 ? 186 ASN A OD1 1 ATOM 1447 N ND2 . ASN A 1 183 ? -34.420 -0.772 63.512 1.00 32.28 ? 186 ASN A ND2 1 ATOM 1448 N N . ASP A 1 184 ? -33.169 2.725 64.905 1.00 27.86 ? 187 ASP A N 1 ATOM 1449 C CA . ASP A 1 184 ? -33.730 2.814 66.247 1.00 30.06 ? 187 ASP A CA 1 ATOM 1450 C C . ASP A 1 184 ? -32.789 3.548 67.202 1.00 30.26 ? 187 ASP A C 1 ATOM 1451 O O . ASP A 1 184 ? -31.659 3.896 66.853 1.00 29.82 ? 187 ASP A O 1 ATOM 1452 C CB . ASP A 1 184 ? -34.084 1.397 66.778 1.00 29.91 ? 187 ASP A CB 1 ATOM 1453 C CG . ASP A 1 184 ? -32.897 0.437 66.731 1.00 32.78 ? 187 ASP A CG 1 ATOM 1454 O OD1 . ASP A 1 184 ? -31.910 0.683 67.440 1.00 34.64 ? 187 ASP A OD1 1 ATOM 1455 O OD2 . ASP A 1 184 ? -32.950 -0.567 65.982 1.00 36.84 ? 187 ASP A OD2 1 ATOM 1456 N N . GLU A 1 185 ? -33.277 3.787 68.419 1.00 31.19 ? 188 GLU A N 1 ATOM 1457 C CA . GLU A 1 185 ? -32.551 4.518 69.462 1.00 32.55 ? 188 GLU A CA 1 ATOM 1458 C C . GLU A 1 185 ? -31.377 3.712 70.033 1.00 32.77 ? 188 GLU A C 1 ATOM 1459 O O . GLU A 1 185 ? -30.325 4.262 70.356 1.00 32.51 ? 188 GLU A O 1 ATOM 1460 C CB . GLU A 1 185 ? -33.517 4.886 70.586 1.00 33.08 ? 188 GLU A CB 1 ATOM 1461 C CG . GLU A 1 185 ? -34.938 5.210 70.128 1.00 37.14 ? 188 GLU A CG 1 ATOM 1462 C CD . GLU A 1 185 ? -35.780 3.958 69.846 1.00 40.50 ? 188 GLU A CD 1 ATOM 1463 O OE1 . GLU A 1 185 ? -36.137 3.235 70.813 1.00 43.80 ? 188 GLU A OE1 1 ATOM 1464 O OE2 . GLU A 1 185 ? -36.095 3.707 68.656 1.00 41.33 ? 188 GLU A OE2 1 ATOM 1465 N N . THR A 1 186 ? -31.548 2.397 70.136 1.00 33.75 ? 189 THR A N 1 ATOM 1466 C CA . THR A 1 186 ? -30.429 1.529 70.545 1.00 34.25 ? 189 THR A CA 1 ATOM 1467 C C . THR A 1 186 ? -29.199 1.783 69.683 1.00 34.30 ? 189 THR A C 1 ATOM 1468 O O . THR A 1 186 ? -28.091 2.032 70.192 1.00 35.53 ? 189 THR A O 1 ATOM 1469 C CB . THR A 1 186 ? -30.811 0.045 70.443 1.00 34.59 ? 189 THR A CB 1 ATOM 1470 O OG1 . THR A 1 186 ? -31.895 -0.207 71.338 1.00 34.41 ? 189 THR A OG1 1 ATOM 1471 C CG2 . THR A 1 186 ? -29.621 -0.830 70.797 1.00 34.86 ? 189 THR A CG2 1 ATOM 1472 N N . GLU A 1 187 ? -29.410 1.743 68.375 1.00 34.01 ? 190 GLU A N 1 ATOM 1473 C CA . GLU A 1 187 ? -28.365 2.001 67.403 1.00 33.29 ? 190 GLU A CA 1 ATOM 1474 C C . GLU A 1 187 ? -27.711 3.366 67.624 1.00 32.14 ? 190 GLU A C 1 ATOM 1475 O O . GLU A 1 187 ? -26.493 3.477 67.698 1.00 32.05 ? 190 GLU A O 1 ATOM 1476 C CB . GLU A 1 187 ? -28.983 1.957 66.017 1.00 33.46 ? 190 GLU A CB 1 ATOM 1477 C CG . GLU A 1 187 ? -28.008 2.089 64.924 1.00 36.83 ? 190 GLU A CG 1 ATOM 1478 C CD . GLU A 1 187 ? -28.373 1.224 63.762 1.00 39.38 ? 190 GLU A CD 1 ATOM 1479 O OE1 . GLU A 1 187 ? -29.437 1.459 63.135 1.00 41.58 ? 190 GLU A OE1 1 ATOM 1480 O OE2 . GLU A 1 187 ? -27.598 0.290 63.497 1.00 42.02 ? 190 GLU A OE2 1 ATOM 1481 N N . GLN A 1 188 ? -28.536 4.393 67.754 1.00 30.30 ? 191 GLN A N 1 ATOM 1482 C CA . GLN A 1 188 ? -28.037 5.742 67.904 1.00 30.96 ? 191 GLN A CA 1 ATOM 1483 C C . GLN A 1 188 ? -27.174 5.838 69.164 1.00 31.37 ? 191 GLN A C 1 ATOM 1484 O O . GLN A 1 188 ? -26.068 6.382 69.130 1.00 31.82 ? 191 GLN A O 1 ATOM 1485 C CB . GLN A 1 188 ? -29.203 6.728 67.941 1.00 29.55 ? 191 GLN A CB 1 ATOM 1486 C CG . GLN A 1 188 ? -28.833 8.206 68.197 1.00 30.37 ? 191 GLN A CG 1 ATOM 1487 C CD . GLN A 1 188 ? -28.150 8.883 67.009 1.00 28.60 ? 191 GLN A CD 1 ATOM 1488 O OE1 . GLN A 1 188 ? -28.418 8.546 65.853 1.00 27.39 ? 191 GLN A OE1 1 ATOM 1489 N NE2 . GLN A 1 188 ? -27.295 9.872 67.289 1.00 29.79 ? 191 GLN A NE2 1 ATOM 1490 N N . ARG A 1 189 ? -27.660 5.279 70.271 1.00 32.49 ? 192 ARG A N 1 ATOM 1491 C CA . ARG A 1 189 ? -26.927 5.372 71.522 1.00 32.57 ? 192 ARG A CA 1 ATOM 1492 C C . ARG A 1 189 ? -25.639 4.560 71.511 1.00 32.50 ? 192 ARG A C 1 ATOM 1493 O O . ARG A 1 189 ? -24.575 5.060 71.908 1.00 33.17 ? 192 ARG A O 1 ATOM 1494 C CB . ARG A 1 189 ? -27.810 4.972 72.716 1.00 33.37 ? 192 ARG A CB 1 ATOM 1495 C CG . ARG A 1 189 ? -27.087 5.109 74.048 1.00 36.40 ? 192 ARG A CG 1 ATOM 1496 C CD . ARG A 1 189 ? -27.754 4.279 75.139 1.00 40.32 ? 192 ARG A CD 1 ATOM 1497 N NE . ARG A 1 189 ? -27.636 2.840 74.875 1.00 43.74 ? 192 ARG A NE 1 ATOM 1498 C CZ . ARG A 1 189 ? -28.658 2.048 74.567 1.00 44.60 ? 192 ARG A CZ 1 ATOM 1499 N NH1 . ARG A 1 189 ? -29.891 2.541 74.498 1.00 45.87 ? 192 ARG A NH1 1 ATOM 1500 N NH2 . ARG A 1 189 ? -28.450 0.758 74.343 1.00 44.77 ? 192 ARG A NH2 1 ATOM 1501 N N . THR A 1 190 ? -25.720 3.319 71.058 1.00 31.95 ? 193 THR A N 1 ATOM 1502 C CA . THR A 1 190 ? -24.548 2.448 71.071 1.00 32.70 ? 193 THR A CA 1 ATOM 1503 C C . THR A 1 190 ? -23.454 2.965 70.119 1.00 32.13 ? 193 THR A C 1 ATOM 1504 O O . THR A 1 190 ? -22.264 2.819 70.399 1.00 32.71 ? 193 THR A O 1 ATOM 1505 C CB . THR A 1 190 ? -24.910 0.986 70.817 1.00 32.40 ? 193 THR A CB 1 ATOM 1506 O OG1 . THR A 1 190 ? -25.353 0.811 69.471 1.00 35.97 ? 193 THR A OG1 1 ATOM 1507 C CG2 . THR A 1 190 ? -26.013 0.550 71.756 1.00 33.17 ? 193 THR A CG2 1 ATOM 1508 N N . LEU A 1 191 ? -23.863 3.569 69.003 1.00 31.67 ? 194 LEU A N 1 ATOM 1509 C CA . LEU A 1 191 ? -22.910 4.146 68.053 1.00 30.70 ? 194 LEU A CA 1 ATOM 1510 C C . LEU A 1 191 ? -22.379 5.530 68.419 1.00 30.64 ? 194 LEU A C 1 ATOM 1511 O O . LEU A 1 191 ? -21.192 5.779 68.256 1.00 30.58 ? 194 LEU A O 1 ATOM 1512 C CB . LEU A 1 191 ? -23.527 4.207 66.653 1.00 30.45 ? 194 LEU A CB 1 ATOM 1513 C CG . LEU A 1 191 ? -23.762 2.855 65.983 1.00 29.61 ? 194 LEU A CG 1 ATOM 1514 C CD1 . LEU A 1 191 ? -24.492 3.067 64.647 1.00 27.13 ? 194 LEU A CD1 1 ATOM 1515 C CD2 . LEU A 1 191 ? -22.454 2.059 65.815 1.00 32.65 ? 194 LEU A CD2 1 ATOM 1516 N N . TYR A 1 192 ? -23.252 6.429 68.865 1.00 30.88 ? 195 TYR A N 1 ATOM 1517 C CA . TYR A 1 192 ? -22.890 7.853 68.980 1.00 31.19 ? 195 TYR A CA 1 ATOM 1518 C C . TYR A 1 192 ? -22.978 8.437 70.386 1.00 32.98 ? 195 TYR A C 1 ATOM 1519 O O . TYR A 1 192 ? -22.389 9.475 70.637 1.00 34.04 ? 195 TYR A O 1 ATOM 1520 C CB . TYR A 1 192 ? -23.723 8.694 68.003 1.00 29.03 ? 195 TYR A CB 1 ATOM 1521 C CG . TYR A 1 192 ? -23.715 8.094 66.612 1.00 25.99 ? 195 TYR A CG 1 ATOM 1522 C CD1 . TYR A 1 192 ? -22.525 8.005 65.881 1.00 25.38 ? 195 TYR A CD1 1 ATOM 1523 C CD2 . TYR A 1 192 ? -24.883 7.589 66.045 1.00 24.92 ? 195 TYR A CD2 1 ATOM 1524 C CE1 . TYR A 1 192 ? -22.516 7.443 64.607 1.00 22.39 ? 195 TYR A CE1 1 ATOM 1525 C CE2 . TYR A 1 192 ? -24.881 7.014 64.780 1.00 22.73 ? 195 TYR A CE2 1 ATOM 1526 C CZ . TYR A 1 192 ? -23.689 6.920 64.081 1.00 23.58 ? 195 TYR A CZ 1 ATOM 1527 O OH . TYR A 1 192 ? -23.684 6.369 62.831 1.00 21.79 ? 195 TYR A OH 1 ATOM 1528 N N . GLN A 1 193 ? -23.707 7.752 71.278 1.00 34.86 ? 196 GLN A N 1 ATOM 1529 C CA . GLN A 1 193 ? -24.032 8.240 72.643 1.00 36.82 ? 196 GLN A CA 1 ATOM 1530 C C . GLN A 1 193 ? -24.968 9.451 72.641 1.00 37.20 ? 196 GLN A C 1 ATOM 1531 O O . GLN A 1 193 ? -25.968 9.478 73.369 1.00 38.28 ? 196 GLN A O 1 ATOM 1532 C CB . GLN A 1 193 ? -22.770 8.503 73.489 1.00 37.30 ? 196 GLN A CB 1 ATOM 1533 C CG . GLN A 1 193 ? -21.832 7.300 73.652 1.00 40.53 ? 196 GLN A CG 1 ATOM 1534 C CD . GLN A 1 193 ? -22.437 6.141 74.436 1.00 43.60 ? 196 GLN A CD 1 ATOM 1535 O OE1 . GLN A 1 193 ? -22.973 6.332 75.526 1.00 47.11 ? 196 GLN A OE1 1 ATOM 1536 N NE2 . GLN A 1 193 ? -22.344 4.929 73.884 1.00 45.42 ? 196 GLN A NE2 1 ATOM 1537 N N . ASN A 1 194 ? -24.661 10.447 71.818 1.00 37.81 ? 197 ASN A N 1 ATOM 1538 C CA . ASN A 1 194 ? -25.468 11.657 71.715 1.00 38.09 ? 197 ASN A CA 1 ATOM 1539 C C . ASN A 1 194 ? -26.806 11.449 71.010 1.00 38.26 ? 197 ASN A C 1 ATOM 1540 O O . ASN A 1 194 ? -26.957 10.545 70.167 1.00 38.42 ? 197 ASN A O 1 ATOM 1541 C CB . ASN A 1 194 ? -24.697 12.770 70.987 1.00 38.42 ? 197 ASN A CB 1 ATOM 1542 C CG . ASN A 1 194 ? -23.358 13.107 71.639 1.00 39.93 ? 197 ASN A CG 1 ATOM 1543 O OD1 . ASN A 1 194 ? -23.146 12.870 72.832 1.00 40.74 ? 197 ASN A OD1 1 ATOM 1544 N ND2 . ASN A 1 194 ? -22.445 13.679 70.848 1.00 40.26 ? 197 ASN A ND2 1 ATOM 1545 N N . VAL A 1 195 ? -27.759 12.319 71.344 1.00 37.60 ? 198 VAL A N 1 ATOM 1546 C CA . VAL A 1 195 ? -29.056 12.394 70.679 1.00 36.83 ? 198 VAL A CA 1 ATOM 1547 C C . VAL A 1 195 ? -29.305 13.817 70.161 1.00 36.00 ? 198 VAL A C 1 ATOM 1548 O O . VAL A 1 195 ? -28.717 14.769 70.665 1.00 37.25 ? 198 VAL A O 1 ATOM 1549 C CB . VAL A 1 195 ? -30.193 11.903 71.611 1.00 37.62 ? 198 VAL A CB 1 ATOM 1550 C CG1 . VAL A 1 195 ? -30.332 10.404 71.510 1.00 37.48 ? 198 VAL A CG1 1 ATOM 1551 C CG2 . VAL A 1 195 ? -29.931 12.316 73.071 1.00 36.99 ? 198 VAL A CG2 1 ATOM 1552 N N . GLY A 1 196 ? -30.143 13.973 69.140 1.00 35.20 ? 199 GLY A N 1 ATOM 1553 C CA . GLY A 1 196 ? -30.369 15.284 68.522 1.00 33.44 ? 199 GLY A CA 1 ATOM 1554 C C . GLY A 1 196 ? -29.078 15.811 67.893 1.00 32.95 ? 199 GLY A C 1 ATOM 1555 O O . GLY A 1 196 ? -28.626 16.924 68.176 1.00 33.40 ? 199 GLY A O 1 ATOM 1556 N N . THR A 1 197 ? -28.495 14.994 67.029 1.00 31.27 ? 200 THR A N 1 ATOM 1557 C CA . THR A 1 197 ? -27.203 15.326 66.415 1.00 29.21 ? 200 THR A CA 1 ATOM 1558 C C . THR A 1 197 ? -27.383 15.991 65.063 1.00 28.52 ? 200 THR A C 1 ATOM 1559 O O . THR A 1 197 ? -28.501 16.156 64.585 1.00 30.03 ? 200 THR A O 1 ATOM 1560 C CB . THR A 1 197 ? -26.349 14.056 66.272 1.00 29.72 ? 200 THR A CB 1 ATOM 1561 O OG1 . THR A 1 197 ? -27.092 13.088 65.528 1.00 26.83 ? 200 THR A OG1 1 ATOM 1562 C CG2 . THR A 1 197 ? -26.015 13.483 67.609 1.00 28.74 ? 200 THR A CG2 1 ATOM 1563 N N . TYR A 1 198 ? -26.265 16.370 64.420 1.00 27.69 ? 201 TYR A N 1 ATOM 1564 C CA . TYR A 1 198 ? -26.331 16.965 63.103 1.00 27.67 ? 201 TYR A CA 1 ATOM 1565 C C . TYR A 1 198 ? -25.004 16.723 62.418 1.00 26.48 ? 201 TYR A C 1 ATOM 1566 O O . TYR A 1 198 ? -24.026 16.438 63.071 1.00 25.96 ? 201 TYR A O 1 ATOM 1567 C CB . TYR A 1 198 ? -26.559 18.487 63.187 1.00 29.32 ? 201 TYR A CB 1 ATOM 1568 C CG . TYR A 1 198 ? -25.420 19.198 63.882 1.00 32.86 ? 201 TYR A CG 1 ATOM 1569 C CD1 . TYR A 1 198 ? -24.347 19.717 63.160 1.00 32.15 ? 201 TYR A CD1 1 ATOM 1570 C CD2 . TYR A 1 198 ? -25.388 19.309 65.278 1.00 35.20 ? 201 TYR A CD2 1 ATOM 1571 C CE1 . TYR A 1 198 ? -23.278 20.348 63.811 1.00 34.40 ? 201 TYR A CE1 1 ATOM 1572 C CE2 . TYR A 1 198 ? -24.343 19.932 65.933 1.00 35.98 ? 201 TYR A CE2 1 ATOM 1573 C CZ . TYR A 1 198 ? -23.281 20.453 65.197 1.00 35.79 ? 201 TYR A CZ 1 ATOM 1574 O OH . TYR A 1 198 ? -22.251 21.079 65.870 1.00 37.67 ? 201 TYR A OH 1 ATOM 1575 N N . VAL A 1 199 ? -25.022 16.846 61.110 1.00 26.45 ? 202 VAL A N 1 ATOM 1576 C CA . VAL A 1 199 ? -23.818 16.844 60.324 1.00 26.60 ? 202 VAL A CA 1 ATOM 1577 C C . VAL A 1 199 ? -23.844 18.121 59.507 1.00 26.39 ? 202 VAL A C 1 ATOM 1578 O O . VAL A 1 199 ? -24.760 18.314 58.710 1.00 27.73 ? 202 VAL A O 1 ATOM 1579 C CB . VAL A 1 199 ? -23.775 15.591 59.416 1.00 26.90 ? 202 VAL A CB 1 ATOM 1580 C CG1 . VAL A 1 199 ? -22.528 15.608 58.562 1.00 26.71 ? 202 VAL A CG1 1 ATOM 1581 C CG2 . VAL A 1 199 ? -23.830 14.316 60.277 1.00 28.23 ? 202 VAL A CG2 1 ATOM 1582 N N . SER A 1 200 ? -22.819 18.971 59.683 1.00 26.14 ? 203 SER A N 1 ATOM 1583 C CA A SER A 1 200 ? -22.702 20.199 58.892 0.50 24.72 ? 203 SER A CA 1 ATOM 1584 C CA B SER A 1 200 ? -22.674 20.224 58.951 0.50 25.62 ? 203 SER A CA 1 ATOM 1585 C C . SER A 1 200 ? -21.499 20.165 57.989 1.00 25.13 ? 203 SER A C 1 ATOM 1586 O O . SER A 1 200 ? -20.420 19.710 58.389 1.00 25.49 ? 203 SER A O 1 ATOM 1587 C CB A SER A 1 200 ? -22.673 21.486 59.745 0.50 24.91 ? 203 SER A CB 1 ATOM 1588 C CB B SER A 1 200 ? -22.506 21.425 59.914 0.50 25.95 ? 203 SER A CB 1 ATOM 1589 O OG A SER A 1 200 ? -23.926 22.163 59.683 0.50 21.49 ? 203 SER A OG 1 ATOM 1590 O OG B SER A 1 200 ? -21.456 21.259 60.873 0.50 27.73 ? 203 SER A OG 1 ATOM 1591 N N . VAL A 1 201 ? -21.721 20.596 56.750 1.00 25.47 ? 204 VAL A N 1 ATOM 1592 C CA . VAL A 1 201 ? -20.632 20.714 55.770 1.00 24.74 ? 204 VAL A CA 1 ATOM 1593 C C . VAL A 1 201 ? -20.653 22.149 55.228 1.00 24.93 ? 204 VAL A C 1 ATOM 1594 O O . VAL A 1 201 ? -21.727 22.678 54.987 1.00 25.02 ? 204 VAL A O 1 ATOM 1595 C CB . VAL A 1 201 ? -20.763 19.698 54.629 1.00 25.61 ? 204 VAL A CB 1 ATOM 1596 C CG1 . VAL A 1 201 ? -19.530 19.735 53.705 1.00 26.01 ? 204 VAL A CG1 1 ATOM 1597 C CG2 . VAL A 1 201 ? -20.949 18.331 55.221 1.00 26.20 ? 204 VAL A CG2 1 ATOM 1598 N N . GLY A 1 202 ? -19.481 22.774 55.050 1.00 23.98 ? 205 GLY A N 1 ATOM 1599 C CA . GLY A 1 202 ? -19.432 24.169 54.627 1.00 23.42 ? 205 GLY A CA 1 ATOM 1600 C C . GLY A 1 202 ? -18.173 24.436 53.835 1.00 22.12 ? 205 GLY A C 1 ATOM 1601 O O . GLY A 1 202 ? -17.054 24.044 54.236 1.00 22.75 ? 205 GLY A O 1 ATOM 1602 N N . THR A 1 203 ? -18.370 25.049 52.683 1.00 22.59 ? 206 THR A N 1 ATOM 1603 C CA . THR A 1 203 ? -17.256 25.567 51.902 1.00 21.23 ? 206 THR A CA 1 ATOM 1604 C C . THR A 1 203 ? -17.541 27.070 51.716 1.00 20.13 ? 206 THR A C 1 ATOM 1605 O O . THR A 1 203 ? -18.391 27.632 52.428 1.00 20.83 ? 206 THR A O 1 ATOM 1606 C CB . THR A 1 203 ? -17.163 24.888 50.543 1.00 21.76 ? 206 THR A CB 1 ATOM 1607 O OG1 . THR A 1 203 ? -18.283 25.259 49.744 1.00 23.67 ? 206 THR A OG1 1 ATOM 1608 C CG2 . THR A 1 203 ? -17.167 23.351 50.681 1.00 23.94 ? 206 THR A CG2 1 ATOM 1609 N N . SER A 1 204 ? -16.848 27.711 50.778 1.00 20.36 ? 207 SER A N 1 ATOM 1610 C CA A SER A 1 204 ? -17.148 29.119 50.513 0.50 20.16 ? 207 SER A CA 1 ATOM 1611 C CA B SER A 1 204 ? -17.142 29.116 50.472 0.50 20.99 ? 207 SER A CA 1 ATOM 1612 C C . SER A 1 204 ? -18.539 29.285 49.923 1.00 21.83 ? 207 SER A C 1 ATOM 1613 O O . SER A 1 204 ? -19.149 30.349 50.081 1.00 22.03 ? 207 SER A O 1 ATOM 1614 C CB A SER A 1 204 ? -16.100 29.756 49.599 0.50 20.51 ? 207 SER A CB 1 ATOM 1615 C CB B SER A 1 204 ? -16.167 29.653 49.438 0.50 21.42 ? 207 SER A CB 1 ATOM 1616 O OG A SER A 1 204 ? -14.856 29.943 50.273 0.50 17.12 ? 207 SER A OG 1 ATOM 1617 O OG B SER A 1 204 ? -16.315 28.963 48.211 0.50 22.88 ? 207 SER A OG 1 ATOM 1618 N N . THR A 1 205 ? -19.027 28.248 49.243 1.00 23.30 ? 208 THR A N 1 ATOM 1619 C CA . THR A 1 205 ? -20.295 28.349 48.506 1.00 27.17 ? 208 THR A CA 1 ATOM 1620 C C . THR A 1 205 ? -21.372 27.395 48.981 1.00 27.85 ? 208 THR A C 1 ATOM 1621 O O . THR A 1 205 ? -22.571 27.667 48.783 1.00 30.55 ? 208 THR A O 1 ATOM 1622 C CB . THR A 1 205 ? -20.107 28.115 46.992 1.00 26.90 ? 208 THR A CB 1 ATOM 1623 O OG1 . THR A 1 205 ? -19.542 26.816 46.777 1.00 32.45 ? 208 THR A OG1 1 ATOM 1624 C CG2 . THR A 1 205 ? -19.188 29.145 46.405 1.00 28.77 ? 208 THR A CG2 1 ATOM 1625 N N . LEU A 1 206 ? -20.986 26.282 49.588 1.00 28.19 ? 209 LEU A N 1 ATOM 1626 C CA . LEU A 1 206 ? -21.952 25.311 50.031 1.00 28.01 ? 209 LEU A CA 1 ATOM 1627 C C . LEU A 1 206 ? -22.113 25.325 51.544 1.00 27.26 ? 209 LEU A C 1 ATOM 1628 O O . LEU A 1 206 ? -21.158 25.466 52.309 1.00 26.74 ? 209 LEU A O 1 ATOM 1629 C CB . LEU A 1 206 ? -21.589 23.923 49.484 1.00 28.85 ? 209 LEU A CB 1 ATOM 1630 C CG . LEU A 1 206 ? -22.598 22.815 49.737 1.00 30.11 ? 209 LEU A CG 1 ATOM 1631 C CD1 . LEU A 1 206 ? -23.879 23.074 48.975 1.00 32.63 ? 209 LEU A CD1 1 ATOM 1632 C CD2 . LEU A 1 206 ? -21.957 21.512 49.291 1.00 32.20 ? 209 LEU A CD2 1 ATOM 1633 N N . ASN A 1 207 ? -23.358 25.262 51.992 1.00 26.26 ? 210 ASN A N 1 ATOM 1634 C CA . ASN A 1 207 ? -23.658 25.138 53.385 1.00 26.66 ? 210 ASN A CA 1 ATOM 1635 C C . ASN A 1 207 ? -24.777 24.110 53.395 1.00 28.04 ? 210 ASN A C 1 ATOM 1636 O O . ASN A 1 207 ? -25.918 24.426 53.153 1.00 28.86 ? 210 ASN A O 1 ATOM 1637 C CB . ASN A 1 207 ? -24.142 26.485 53.986 1.00 26.54 ? 210 ASN A CB 1 ATOM 1638 C CG . ASN A 1 207 ? -24.675 26.334 55.402 1.00 31.62 ? 210 ASN A CG 1 ATOM 1639 O OD1 . ASN A 1 207 ? -23.937 25.969 56.330 1.00 35.77 ? 210 ASN A OD1 1 ATOM 1640 N ND2 . ASN A 1 207 ? -25.974 26.584 55.581 1.00 31.09 ? 210 ASN A ND2 1 ATOM 1641 N N . LYS A 1 208 ? -24.437 22.853 53.586 1.00 28.04 ? 211 LYS A N 1 ATOM 1642 C CA . LYS A 1 208 ? -25.488 21.853 53.647 1.00 28.90 ? 211 LYS A CA 1 ATOM 1643 C C . LYS A 1 208 ? -25.480 21.210 54.998 1.00 29.56 ? 211 LYS A C 1 ATOM 1644 O O . LYS A 1 208 ? -24.425 20.805 55.472 1.00 30.40 ? 211 LYS A O 1 ATOM 1645 C CB . LYS A 1 208 ? -25.259 20.803 52.563 1.00 29.30 ? 211 LYS A CB 1 ATOM 1646 C CG . LYS A 1 208 ? -26.503 20.049 52.189 1.00 31.98 ? 211 LYS A CG 1 ATOM 1647 C CD . LYS A 1 208 ? -26.196 19.058 51.087 1.00 33.67 ? 211 LYS A CD 1 ATOM 1648 C CE . LYS A 1 208 ? -27.487 18.304 50.732 1.00 37.30 ? 211 LYS A CE 1 ATOM 1649 N NZ . LYS A 1 208 ? -27.173 17.090 49.925 1.00 37.40 ? 211 LYS A NZ 1 ATOM 1650 N N . ARG A 1 209 ? -26.645 21.066 55.616 1.00 31.14 ? 212 ARG A N 1 ATOM 1651 C CA . ARG A 1 209 ? -26.678 20.308 56.858 1.00 31.74 ? 212 ARG A CA 1 ATOM 1652 C C . ARG A 1 209 ? -27.722 19.185 56.941 1.00 33.54 ? 212 ARG A C 1 ATOM 1653 O O . ARG A 1 209 ? -28.693 19.154 56.145 1.00 33.64 ? 212 ARG A O 1 ATOM 1654 C CB . ARG A 1 209 ? -26.850 21.235 58.053 1.00 30.83 ? 212 ARG A CB 1 ATOM 1655 C CG . ARG A 1 209 ? -27.557 20.477 59.172 1.00 29.85 ? 212 ARG A CG 1 ATOM 1656 C CD . ARG A 1 209 ? -27.729 21.305 60.395 1.00 29.66 ? 212 ARG A CD 1 ATOM 1657 N NE . ARG A 1 209 ? -26.492 22.007 60.707 1.00 26.08 ? 212 ARG A NE 1 ATOM 1658 C CZ . ARG A 1 209 ? -26.343 22.754 61.801 1.00 29.45 ? 212 ARG A CZ 1 ATOM 1659 N NH1 . ARG A 1 209 ? -27.337 22.819 62.674 1.00 29.39 ? 212 ARG A NH1 1 ATOM 1660 N NH2 . ARG A 1 209 ? -25.206 23.398 62.030 1.00 27.09 ? 212 ARG A NH2 1 ATOM 1661 N N . SER A 1 210 ? -27.533 18.324 57.963 1.00 34.65 ? 213 SER A N 1 ATOM 1662 C CA . SER A 1 210 ? -28.450 17.219 58.312 1.00 35.17 ? 213 SER A CA 1 ATOM 1663 C C . SER A 1 210 ? -28.668 16.906 59.812 1.00 34.52 ? 213 SER A C 1 ATOM 1664 O O . SER A 1 210 ? -27.734 16.915 60.628 1.00 34.03 ? 213 SER A O 1 ATOM 1665 C CB . SER A 1 210 ? -28.020 15.952 57.599 1.00 35.55 ? 213 SER A CB 1 ATOM 1666 O OG . SER A 1 210 ? -28.277 16.050 56.200 1.00 37.72 ? 213 SER A OG 1 ATOM 1667 N N . THR A 1 211 ? -29.927 16.617 60.145 1.00 33.41 ? 214 THR A N 1 ATOM 1668 C CA . THR A 1 211 ? -30.300 16.045 61.430 1.00 32.84 ? 214 THR A CA 1 ATOM 1669 C C . THR A 1 211 ? -30.637 14.586 61.063 1.00 31.21 ? 214 THR A C 1 ATOM 1670 O O . THR A 1 211 ? -31.484 14.363 60.194 1.00 32.57 ? 214 THR A O 1 ATOM 1671 C CB . THR A 1 211 ? -31.589 16.664 61.987 1.00 32.15 ? 214 THR A CB 1 ATOM 1672 O OG1 . THR A 1 211 ? -32.592 16.575 60.982 1.00 37.24 ? 214 THR A OG1 1 ATOM 1673 C CG2 . THR A 1 211 ? -31.400 18.134 62.341 1.00 32.70 ? 214 THR A CG2 1 ATOM 1674 N N . PRO A 1 212 ? -29.942 13.614 61.680 1.00 30.39 ? 215 PRO A N 1 ATOM 1675 C CA . PRO A 1 212 ? -30.205 12.195 61.385 1.00 29.30 ? 215 PRO A CA 1 ATOM 1676 C C . PRO A 1 212 ? -31.602 11.802 61.793 1.00 29.59 ? 215 PRO A C 1 ATOM 1677 O O . PRO A 1 212 ? -32.135 12.300 62.802 1.00 30.14 ? 215 PRO A O 1 ATOM 1678 C CB . PRO A 1 212 ? -29.202 11.456 62.251 1.00 29.23 ? 215 PRO A CB 1 ATOM 1679 C CG . PRO A 1 212 ? -28.137 12.459 62.597 1.00 29.67 ? 215 PRO A CG 1 ATOM 1680 C CD . PRO A 1 212 ? -28.887 13.773 62.692 1.00 29.78 ? 215 PRO A CD 1 ATOM 1681 N N . GLU A 1 213 ? -32.176 10.918 61.001 1.00 28.15 ? 216 GLU A N 1 ATOM 1682 C CA . GLU A 1 213 ? -33.552 10.479 61.182 1.00 28.07 ? 216 GLU A CA 1 ATOM 1683 C C . GLU A 1 213 ? -33.568 9.047 61.693 1.00 27.64 ? 216 GLU A C 1 ATOM 1684 O O . GLU A 1 213 ? -33.175 8.125 60.979 1.00 27.86 ? 216 GLU A O 1 ATOM 1685 C CB . GLU A 1 213 ? -34.287 10.586 59.852 1.00 27.75 ? 216 GLU A CB 1 ATOM 1686 C CG . GLU A 1 213 ? -34.349 12.039 59.394 1.00 30.73 ? 216 GLU A CG 1 ATOM 1687 C CD . GLU A 1 213 ? -34.757 12.242 57.952 1.00 31.76 ? 216 GLU A CD 1 ATOM 1688 O OE1 . GLU A 1 213 ? -35.119 11.277 57.258 1.00 36.97 ? 216 GLU A OE1 1 ATOM 1689 O OE2 . GLU A 1 213 ? -34.745 13.424 57.510 1.00 35.16 ? 216 GLU A OE2 1 ATOM 1690 N N . ILE A 1 214 ? -33.998 8.866 62.941 1.00 26.26 ? 217 ILE A N 1 ATOM 1691 C CA . ILE A 1 214 ? -34.247 7.527 63.460 1.00 25.10 ? 217 ILE A CA 1 ATOM 1692 C C . ILE A 1 214 ? -35.672 7.014 63.128 1.00 25.14 ? 217 ILE A C 1 ATOM 1693 O O . ILE A 1 214 ? -36.686 7.658 63.480 1.00 24.21 ? 217 ILE A O 1 ATOM 1694 C CB . ILE A 1 214 ? -34.002 7.503 64.973 1.00 25.53 ? 217 ILE A CB 1 ATOM 1695 C CG1 . ILE A 1 214 ? -32.571 7.969 65.271 1.00 24.52 ? 217 ILE A CG1 1 ATOM 1696 C CG2 . ILE A 1 214 ? -34.317 6.116 65.529 1.00 24.29 ? 217 ILE A CG2 1 ATOM 1697 C CD1 . ILE A 1 214 ? -32.287 8.175 66.758 1.00 29.21 ? 217 ILE A CD1 1 ATOM 1698 N N . ALA A 1 215 ? -35.761 5.882 62.425 1.00 24.23 ? 218 ALA A N 1 ATOM 1699 C CA . ALA A 1 215 ? -37.055 5.376 61.938 1.00 25.17 ? 218 ALA A CA 1 ATOM 1700 C C . ALA A 1 215 ? -36.943 3.967 61.419 1.00 25.56 ? 218 ALA A C 1 ATOM 1701 O O . ALA A 1 215 ? -36.031 3.663 60.694 1.00 26.36 ? 218 ALA A O 1 ATOM 1702 C CB . ALA A 1 215 ? -37.598 6.264 60.786 1.00 24.54 ? 218 ALA A CB 1 ATOM 1703 N N . THR A 1 216 ? -37.936 3.130 61.748 1.00 25.80 ? 219 THR A N 1 ATOM 1704 C CA . THR A 1 216 ? -38.081 1.785 61.178 1.00 27.32 ? 219 THR A CA 1 ATOM 1705 C C . THR A 1 216 ? -38.365 1.693 59.642 1.00 26.28 ? 219 THR A C 1 ATOM 1706 O O . THR A 1 216 ? -39.322 2.263 59.105 1.00 28.14 ? 219 THR A O 1 ATOM 1707 C CB . THR A 1 216 ? -39.124 1.009 62.041 1.00 28.75 ? 219 THR A CB 1 ATOM 1708 O OG1 . THR A 1 216 ? -38.477 0.560 63.242 1.00 33.51 ? 219 THR A OG1 1 ATOM 1709 C CG2 . THR A 1 216 ? -39.734 -0.144 61.298 1.00 28.84 ? 219 THR A CG2 1 ATOM 1710 N N . ARG A 1 217 ? -37.497 0.970 58.927 1.00 23.73 ? 220 ARG A N 1 ATOM 1711 C CA . ARG A 1 217 ? -37.568 0.827 57.458 1.00 21.94 ? 220 ARG A CA 1 ATOM 1712 C C . ARG A 1 217 ? -37.383 -0.636 57.085 1.00 21.98 ? 220 ARG A C 1 ATOM 1713 O O . ARG A 1 217 ? -36.773 -1.366 57.852 1.00 20.17 ? 220 ARG A O 1 ATOM 1714 C CB . ARG A 1 217 ? -36.452 1.626 56.792 1.00 22.07 ? 220 ARG A CB 1 ATOM 1715 C CG . ARG A 1 217 ? -36.448 3.089 57.189 1.00 20.08 ? 220 ARG A CG 1 ATOM 1716 C CD . ARG A 1 217 ? -35.201 3.829 56.682 1.00 23.48 ? 220 ARG A CD 1 ATOM 1717 N NE . ARG A 1 217 ? -34.968 5.082 57.424 1.00 24.04 ? 220 ARG A NE 1 ATOM 1718 C CZ . ARG A 1 217 ? -34.209 5.165 58.531 1.00 22.19 ? 220 ARG A CZ 1 ATOM 1719 N NH1 . ARG A 1 217 ? -33.577 4.109 58.991 1.00 25.94 ? 220 ARG A NH1 1 ATOM 1720 N NH2 . ARG A 1 217 ? -34.104 6.322 59.158 1.00 26.90 ? 220 ARG A NH2 1 ATOM 1721 N N . PRO A 1 218 ? -37.855 -1.045 55.893 1.00 21.50 ? 221 PRO A N 1 ATOM 1722 C CA . PRO A 1 218 ? -37.599 -2.403 55.446 1.00 22.22 ? 221 PRO A CA 1 ATOM 1723 C C . PRO A 1 218 ? -36.114 -2.673 55.393 1.00 21.34 ? 221 PRO A C 1 ATOM 1724 O O . PRO A 1 218 ? -35.308 -1.788 55.083 1.00 20.16 ? 221 PRO A O 1 ATOM 1725 C CB . PRO A 1 218 ? -38.175 -2.424 54.014 1.00 23.81 ? 221 PRO A CB 1 ATOM 1726 C CG . PRO A 1 218 ? -39.113 -1.283 53.971 1.00 24.54 ? 221 PRO A CG 1 ATOM 1727 C CD . PRO A 1 218 ? -38.628 -0.259 54.901 1.00 22.51 ? 221 PRO A CD 1 ATOM 1728 N N . LYS A 1 219 ? -35.721 -3.895 55.703 1.00 21.63 ? 222 LYS A N 1 ATOM 1729 C CA . LYS A 1 219 ? -34.303 -4.164 55.674 1.00 22.56 ? 222 LYS A CA 1 ATOM 1730 C C . LYS A 1 219 ? -33.835 -4.294 54.220 1.00 21.99 ? 222 LYS A C 1 ATOM 1731 O O . LYS A 1 219 ? -34.519 -4.945 53.381 1.00 21.98 ? 222 LYS A O 1 ATOM 1732 C CB . LYS A 1 219 ? -33.980 -5.440 56.477 1.00 23.04 ? 222 LYS A CB 1 ATOM 1733 C CG . LYS A 1 219 ? -34.114 -5.309 57.990 1.00 25.67 ? 222 LYS A CG 1 ATOM 1734 C CD . LYS A 1 219 ? -33.663 -6.637 58.650 1.00 25.07 ? 222 LYS A CD 1 ATOM 1735 C CE . LYS A 1 219 ? -33.692 -6.604 60.179 1.00 29.42 ? 222 LYS A CE 1 ATOM 1736 N NZ . LYS A 1 219 ? -32.689 -5.649 60.723 1.00 36.15 ? 222 LYS A NZ 1 ATOM 1737 N N . VAL A 1 220 ? -32.671 -3.683 53.943 1.00 20.48 ? 223 VAL A N 1 ATOM 1738 C CA . VAL A 1 220 ? -32.010 -3.793 52.645 1.00 21.67 ? 223 VAL A CA 1 ATOM 1739 C C . VAL A 1 220 ? -30.597 -4.241 52.993 1.00 22.37 ? 223 VAL A C 1 ATOM 1740 O O . VAL A 1 220 ? -29.948 -3.637 53.854 1.00 21.69 ? 223 VAL A O 1 ATOM 1741 C CB . VAL A 1 220 ? -31.984 -2.466 51.857 1.00 21.79 ? 223 VAL A CB 1 ATOM 1742 C CG1 . VAL A 1 220 ? -31.264 -2.633 50.521 1.00 22.14 ? 223 VAL A CG1 1 ATOM 1743 C CG2 . VAL A 1 220 ? -33.428 -2.000 51.607 1.00 21.82 ? 223 VAL A CG2 1 ATOM 1744 N N . ASN A 1 221 ? -30.182 -5.353 52.375 1.00 23.61 ? 224 ASN A N 1 ATOM 1745 C CA . ASN A 1 221 ? -28.896 -5.992 52.723 1.00 23.94 ? 224 ASN A CA 1 ATOM 1746 C C . ASN A 1 221 ? -28.784 -6.179 54.214 1.00 23.57 ? 224 ASN A C 1 ATOM 1747 O O . ASN A 1 221 ? -27.691 -6.034 54.788 1.00 24.88 ? 224 ASN A O 1 ATOM 1748 C CB . ASN A 1 221 ? -27.718 -5.161 52.227 1.00 24.64 ? 224 ASN A CB 1 ATOM 1749 C CG . ASN A 1 221 ? -27.719 -5.025 50.738 1.00 26.63 ? 224 ASN A CG 1 ATOM 1750 O OD1 . ASN A 1 221 ? -28.262 -5.895 50.044 1.00 27.46 ? 224 ASN A OD1 1 ATOM 1751 N ND2 . ASN A 1 221 ? -27.153 -3.947 50.234 1.00 28.60 ? 224 ASN A ND2 1 ATOM 1752 N N . GLY A 1 222 ? -29.903 -6.484 54.859 1.00 22.81 ? 225 GLY A N 1 ATOM 1753 C CA . GLY A 1 222 ? -29.920 -6.742 56.291 1.00 22.70 ? 225 GLY A CA 1 ATOM 1754 C C . GLY A 1 222 ? -30.145 -5.574 57.226 1.00 22.62 ? 225 GLY A C 1 ATOM 1755 O O . GLY A 1 222 ? -30.239 -5.759 58.442 1.00 23.68 ? 225 GLY A O 1 ATOM 1756 N N . GLN A 1 223 ? -30.253 -4.360 56.671 1.00 21.50 ? 226 GLN A N 1 ATOM 1757 C CA . GLN A 1 223 ? -30.196 -3.176 57.494 1.00 20.95 ? 226 GLN A CA 1 ATOM 1758 C C . GLN A 1 223 ? -31.414 -2.306 57.300 1.00 19.85 ? 226 GLN A C 1 ATOM 1759 O O . GLN A 1 223 ? -31.786 -2.028 56.150 1.00 20.28 ? 226 GLN A O 1 ATOM 1760 C CB . GLN A 1 223 ? -28.946 -2.346 57.133 1.00 20.93 ? 226 GLN A CB 1 ATOM 1761 C CG . GLN A 1 223 ? -27.594 -3.071 57.338 1.00 25.44 ? 226 GLN A CG 1 ATOM 1762 C CD . GLN A 1 223 ? -27.401 -3.535 58.782 1.00 23.87 ? 226 GLN A CD 1 ATOM 1763 O OE1 . GLN A 1 223 ? -27.706 -2.816 59.711 1.00 27.60 ? 226 GLN A OE1 1 ATOM 1764 N NE2 . GLN A 1 223 ? -26.917 -4.781 58.963 1.00 28.48 ? 226 GLN A NE2 1 ATOM 1765 N N . GLY A 1 224 ? -32.003 -1.872 58.406 1.00 19.72 ? 227 GLY A N 1 ATOM 1766 C CA . GLY A 1 224 ? -33.102 -0.913 58.366 1.00 20.43 ? 227 GLY A CA 1 ATOM 1767 C C . GLY A 1 224 ? -32.609 0.523 58.388 1.00 20.40 ? 227 GLY A C 1 ATOM 1768 O O . GLY A 1 224 ? -33.338 1.449 58.046 1.00 21.90 ? 227 GLY A O 1 ATOM 1769 N N . GLY A 1 225 ? -31.384 0.715 58.842 1.00 20.73 ? 228 GLY A N 1 ATOM 1770 C CA . GLY A 1 225 ? -30.744 2.053 58.761 1.00 19.74 ? 228 GLY A CA 1 ATOM 1771 C C . GLY A 1 225 ? -30.420 2.443 57.324 1.00 19.58 ? 228 GLY A C 1 ATOM 1772 O O . GLY A 1 225 ? -30.538 1.644 56.403 1.00 19.53 ? 228 GLY A O 1 ATOM 1773 N N . ARG A 1 226 ? -30.054 3.703 57.120 1.00 17.84 ? 229 ARG A N 1 ATOM 1774 C CA . ARG A 1 226 ? -29.659 4.200 55.800 1.00 17.92 ? 229 ARG A CA 1 ATOM 1775 C C . ARG A 1 226 ? -28.491 5.155 55.916 1.00 18.15 ? 229 ARG A C 1 ATOM 1776 O O . ARG A 1 226 ? -28.390 5.890 56.923 1.00 18.25 ? 229 ARG A O 1 ATOM 1777 C CB . ARG A 1 226 ? -30.822 4.969 55.139 1.00 17.41 ? 229 ARG A CB 1 ATOM 1778 C CG . ARG A 1 226 ? -32.117 4.132 54.953 1.00 17.80 ? 229 ARG A CG 1 ATOM 1779 C CD . ARG A 1 226 ? -32.011 3.087 53.854 1.00 18.78 ? 229 ARG A CD 1 ATOM 1780 N NE . ARG A 1 226 ? -33.283 2.417 53.637 1.00 18.18 ? 229 ARG A NE 1 ATOM 1781 C CZ . ARG A 1 226 ? -33.588 1.203 54.071 1.00 18.52 ? 229 ARG A CZ 1 ATOM 1782 N NH1 . ARG A 1 226 ? -32.737 0.473 54.793 1.00 20.72 ? 229 ARG A NH1 1 ATOM 1783 N NH2 . ARG A 1 226 ? -34.801 0.724 53.784 1.00 17.75 ? 229 ARG A NH2 1 ATOM 1784 N N . MET A 1 227 ? -27.637 5.165 54.889 1.00 17.42 ? 230 MET A N 1 ATOM 1785 C CA . MET A 1 227 ? -26.644 6.244 54.765 1.00 18.35 ? 230 MET A CA 1 ATOM 1786 C C . MET A 1 227 ? -26.954 7.107 53.554 1.00 19.07 ? 230 MET A C 1 ATOM 1787 O O . MET A 1 227 ? -27.065 6.600 52.441 1.00 19.19 ? 230 MET A O 1 ATOM 1788 C CB . MET A 1 227 ? -25.218 5.666 54.745 1.00 18.74 ? 230 MET A CB 1 ATOM 1789 C CG . MET A 1 227 ? -24.810 5.195 56.124 1.00 19.04 ? 230 MET A CG 1 ATOM 1790 S SD . MET A 1 227 ? -23.207 4.364 56.076 1.00 19.07 ? 230 MET A SD 1 ATOM 1791 C CE . MET A 1 227 ? -23.236 3.738 57.740 1.00 21.23 ? 230 MET A CE 1 ATOM 1792 N N . GLU A 1 228 ? -27.130 8.409 53.812 1.00 17.87 ? 231 GLU A N 1 ATOM 1793 C CA . GLU A 1 228 ? -27.467 9.379 52.790 1.00 18.37 ? 231 GLU A CA 1 ATOM 1794 C C . GLU A 1 228 ? -26.186 10.119 52.414 1.00 18.00 ? 231 GLU A C 1 ATOM 1795 O O . GLU A 1 228 ? -25.648 10.873 53.233 1.00 18.34 ? 231 GLU A O 1 ATOM 1796 C CB . GLU A 1 228 ? -28.492 10.394 53.320 1.00 18.25 ? 231 GLU A CB 1 ATOM 1797 C CG . GLU A 1 228 ? -28.871 11.417 52.294 1.00 18.84 ? 231 GLU A CG 1 ATOM 1798 C CD . GLU A 1 228 ? -29.776 12.489 52.848 1.00 22.59 ? 231 GLU A CD 1 ATOM 1799 O OE1 . GLU A 1 228 ? -30.516 12.195 53.815 1.00 25.59 ? 231 GLU A OE1 1 ATOM 1800 O OE2 . GLU A 1 228 ? -29.792 13.635 52.311 1.00 25.35 ? 231 GLU A OE2 1 ATOM 1801 N N . PHE A 1 229 ? -25.707 9.886 51.200 1.00 17.18 ? 232 PHE A N 1 ATOM 1802 C CA . PHE A 1 229 ? -24.477 10.533 50.726 1.00 17.62 ? 232 PHE A CA 1 ATOM 1803 C C . PHE A 1 229 ? -24.738 11.784 49.903 1.00 17.83 ? 232 PHE A C 1 ATOM 1804 O O . PHE A 1 229 ? -25.750 11.869 49.196 1.00 18.67 ? 232 PHE A O 1 ATOM 1805 C CB . PHE A 1 229 ? -23.606 9.534 49.956 1.00 18.66 ? 232 PHE A CB 1 ATOM 1806 C CG . PHE A 1 229 ? -23.147 8.392 50.807 1.00 16.80 ? 232 PHE A CG 1 ATOM 1807 C CD1 . PHE A 1 229 ? -22.000 8.532 51.623 1.00 18.34 ? 232 PHE A CD1 1 ATOM 1808 C CD2 . PHE A 1 229 ? -23.819 7.163 50.797 1.00 17.48 ? 232 PHE A CD2 1 ATOM 1809 C CE1 . PHE A 1 229 ? -21.544 7.474 52.451 1.00 17.82 ? 232 PHE A CE1 1 ATOM 1810 C CE2 . PHE A 1 229 ? -23.358 6.109 51.608 1.00 18.49 ? 232 PHE A CE2 1 ATOM 1811 C CZ . PHE A 1 229 ? -22.258 6.266 52.431 1.00 18.27 ? 232 PHE A CZ 1 ATOM 1812 N N . SER A 1 230 ? -23.846 12.752 50.041 1.00 18.53 ? 233 SER A N 1 ATOM 1813 C CA . SER A 1 230 ? -23.866 13.984 49.273 1.00 19.09 ? 233 SER A CA 1 ATOM 1814 C C . SER A 1 230 ? -22.455 14.234 48.793 1.00 18.45 ? 233 SER A C 1 ATOM 1815 O O . SER A 1 230 ? -21.486 13.592 49.239 1.00 19.04 ? 233 SER A O 1 ATOM 1816 C CB . SER A 1 230 ? -24.271 15.164 50.138 1.00 17.72 ? 233 SER A CB 1 ATOM 1817 O OG . SER A 1 230 ? -25.567 14.944 50.690 1.00 19.76 ? 233 SER A OG 1 ATOM 1818 N N . TRP A 1 231 ? -22.355 15.145 47.843 1.00 19.33 ? 234 TRP A N 1 ATOM 1819 C CA . TRP A 1 231 ? -21.041 15.438 47.266 1.00 18.99 ? 234 TRP A CA 1 ATOM 1820 C C . TRP A 1 231 ? -20.921 16.871 46.836 1.00 21.01 ? 234 TRP A C 1 ATOM 1821 O O . TRP A 1 231 ? -21.900 17.605 46.680 1.00 20.31 ? 234 TRP A O 1 ATOM 1822 C CB . TRP A 1 231 ? -20.752 14.526 46.084 1.00 20.28 ? 234 TRP A CB 1 ATOM 1823 C CG . TRP A 1 231 ? -21.616 14.773 44.888 1.00 19.60 ? 234 TRP A CG 1 ATOM 1824 C CD1 . TRP A 1 231 ? -22.887 14.258 44.673 1.00 23.87 ? 234 TRP A CD1 1 ATOM 1825 C CD2 . TRP A 1 231 ? -21.312 15.571 43.736 1.00 20.89 ? 234 TRP A CD2 1 ATOM 1826 N NE1 . TRP A 1 231 ? -23.354 14.685 43.478 1.00 22.77 ? 234 TRP A NE1 1 ATOM 1827 C CE2 . TRP A 1 231 ? -22.433 15.488 42.872 1.00 23.35 ? 234 TRP A CE2 1 ATOM 1828 C CE3 . TRP A 1 231 ? -20.212 16.327 43.335 1.00 24.93 ? 234 TRP A CE3 1 ATOM 1829 C CZ2 . TRP A 1 231 ? -22.482 16.171 41.639 1.00 24.64 ? 234 TRP A CZ2 1 ATOM 1830 C CZ3 . TRP A 1 231 ? -20.262 16.991 42.100 1.00 25.27 ? 234 TRP A CZ3 1 ATOM 1831 C CH2 . TRP A 1 231 ? -21.389 16.886 41.265 1.00 25.30 ? 234 TRP A CH2 1 ATOM 1832 N N . THR A 1 232 ? -19.677 17.275 46.652 1.00 20.39 ? 235 THR A N 1 ATOM 1833 C CA . THR A 1 232 ? -19.397 18.628 46.145 1.00 21.09 ? 235 THR A CA 1 ATOM 1834 C C . THR A 1 232 ? -18.115 18.594 45.331 1.00 22.41 ? 235 THR A C 1 ATOM 1835 O O . THR A 1 232 ? -17.289 17.723 45.509 1.00 21.42 ? 235 THR A O 1 ATOM 1836 C CB . THR A 1 232 ? -19.247 19.664 47.279 1.00 23.12 ? 235 THR A CB 1 ATOM 1837 O OG1 . THR A 1 232 ? -19.339 21.001 46.707 1.00 26.01 ? 235 THR A OG1 1 ATOM 1838 C CG2 . THR A 1 232 ? -17.893 19.509 48.054 1.00 23.44 ? 235 THR A CG2 1 ATOM 1839 N N . LEU A 1 233 ? -17.958 19.574 44.450 1.00 22.72 ? 236 LEU A N 1 ATOM 1840 C CA . LEU A 1 233 ? -16.692 19.776 43.769 1.00 23.63 ? 236 LEU A CA 1 ATOM 1841 C C . LEU A 1 233 ? -16.059 20.968 44.493 1.00 23.35 ? 236 LEU A C 1 ATOM 1842 O O . LEU A 1 233 ? -16.583 22.098 44.443 1.00 24.42 ? 236 LEU A O 1 ATOM 1843 C CB . LEU A 1 233 ? -16.948 20.016 42.267 1.00 24.17 ? 236 LEU A CB 1 ATOM 1844 C CG . LEU A 1 233 ? -15.819 19.988 41.234 1.00 27.71 ? 236 LEU A CG 1 ATOM 1845 C CD1 . LEU A 1 233 ? -15.143 18.637 41.245 1.00 25.81 ? 236 LEU A CD1 1 ATOM 1846 C CD2 . LEU A 1 233 ? -16.370 20.239 39.846 1.00 26.98 ? 236 LEU A CD2 1 ATOM 1847 N N . LEU A 1 234 ? -14.976 20.713 45.230 1.00 22.63 ? 237 LEU A N 1 ATOM 1848 C CA . LEU A 1 234 ? -14.281 21.734 45.989 1.00 22.03 ? 237 LEU A CA 1 ATOM 1849 C C . LEU A 1 234 ? -13.321 22.466 45.077 1.00 22.14 ? 237 LEU A C 1 ATOM 1850 O O . LEU A 1 234 ? -12.417 21.867 44.479 1.00 21.39 ? 237 LEU A O 1 ATOM 1851 C CB . LEU A 1 234 ? -13.519 21.129 47.189 1.00 21.93 ? 237 LEU A CB 1 ATOM 1852 C CG . LEU A 1 234 ? -12.804 22.069 48.163 1.00 22.02 ? 237 LEU A CG 1 ATOM 1853 C CD1 . LEU A 1 234 ? -13.800 22.979 48.907 1.00 22.59 ? 237 LEU A CD1 1 ATOM 1854 C CD2 . LEU A 1 234 ? -12.051 21.235 49.163 1.00 21.33 ? 237 LEU A CD2 1 ATOM 1855 N N . ASP A 1 235 ? -13.508 23.773 44.962 1.00 22.10 ? 238 ASP A N 1 ATOM 1856 C CA . ASP A 1 235 ? -12.672 24.549 44.065 1.00 22.85 ? 238 ASP A CA 1 ATOM 1857 C C . ASP A 1 235 ? -11.247 24.611 44.558 1.00 21.96 ? 238 ASP A C 1 ATOM 1858 O O . ASP A 1 235 ? -10.998 24.472 45.751 1.00 21.34 ? 238 ASP A O 1 ATOM 1859 C CB . ASP A 1 235 ? -13.217 25.971 43.986 1.00 23.44 ? 238 ASP A CB 1 ATOM 1860 C CG . ASP A 1 235 ? -14.448 26.080 43.121 1.00 28.75 ? 238 ASP A CG 1 ATOM 1861 O OD1 . ASP A 1 235 ? -14.769 25.149 42.359 1.00 31.67 ? 238 ASP A OD1 1 ATOM 1862 O OD2 . ASP A 1 235 ? -15.093 27.155 43.187 1.00 35.35 ? 238 ASP A OD2 1 ATOM 1863 N N . MET A 1 236 ? -10.320 24.859 43.635 1.00 21.87 ? 239 MET A N 1 ATOM 1864 C CA . MET A 1 236 ? -8.942 25.174 44.020 1.00 24.09 ? 239 MET A CA 1 ATOM 1865 C C . MET A 1 236 ? -8.896 26.264 45.076 1.00 22.81 ? 239 MET A C 1 ATOM 1866 O O . MET A 1 236 ? -9.529 27.326 44.932 1.00 23.33 ? 239 MET A O 1 ATOM 1867 C CB . MET A 1 236 ? -8.138 25.590 42.802 1.00 23.90 ? 239 MET A CB 1 ATOM 1868 C CG . MET A 1 236 ? -8.033 24.478 41.810 1.00 27.21 ? 239 MET A CG 1 ATOM 1869 S SD . MET A 1 236 ? -7.238 24.962 40.275 1.00 32.12 ? 239 MET A SD 1 ATOM 1870 C CE . MET A 1 236 ? -8.250 26.370 39.785 1.00 35.67 ? 239 MET A CE 1 ATOM 1871 N N . TRP A 1 237 ? -8.154 25.983 46.136 1.00 22.94 ? 240 TRP A N 1 ATOM 1872 C CA . TRP A 1 237 ? -7.825 26.946 47.199 1.00 23.51 ? 240 TRP A CA 1 ATOM 1873 C C . TRP A 1 237 ? -8.988 27.220 48.148 1.00 23.47 ? 240 TRP A C 1 ATOM 1874 O O . TRP A 1 237 ? -8.852 28.062 49.053 1.00 23.56 ? 240 TRP A O 1 ATOM 1875 C CB . TRP A 1 237 ? -7.216 28.269 46.650 1.00 24.61 ? 240 TRP A CB 1 ATOM 1876 C CG . TRP A 1 237 ? -6.286 28.065 45.469 1.00 25.55 ? 240 TRP A CG 1 ATOM 1877 C CD1 . TRP A 1 237 ? -6.486 28.485 44.180 1.00 26.91 ? 240 TRP A CD1 1 ATOM 1878 C CD2 . TRP A 1 237 ? -5.062 27.323 45.459 1.00 23.71 ? 240 TRP A CD2 1 ATOM 1879 N NE1 . TRP A 1 237 ? -5.444 28.077 43.380 1.00 27.12 ? 240 TRP A NE1 1 ATOM 1880 C CE2 . TRP A 1 237 ? -4.557 27.365 44.140 1.00 25.70 ? 240 TRP A CE2 1 ATOM 1881 C CE3 . TRP A 1 237 ? -4.331 26.651 46.443 1.00 25.82 ? 240 TRP A CE3 1 ATOM 1882 C CZ2 . TRP A 1 237 ? -3.358 26.734 43.775 1.00 26.56 ? 240 TRP A CZ2 1 ATOM 1883 C CZ3 . TRP A 1 237 ? -3.133 26.043 46.084 1.00 26.59 ? 240 TRP A CZ3 1 ATOM 1884 C CH2 . TRP A 1 237 ? -2.662 26.093 44.762 1.00 26.03 ? 240 TRP A CH2 1 ATOM 1885 N N . ASP A 1 238 ? -10.107 26.510 47.930 1.00 22.07 ? 241 ASP A N 1 ATOM 1886 C CA . ASP A 1 238 ? -11.224 26.566 48.870 1.00 22.05 ? 241 ASP A CA 1 ATOM 1887 C C . ASP A 1 238 ? -11.031 25.510 49.937 1.00 22.33 ? 241 ASP A C 1 ATOM 1888 O O . ASP A 1 238 ? -10.336 24.505 49.718 1.00 23.61 ? 241 ASP A O 1 ATOM 1889 C CB . ASP A 1 238 ? -12.579 26.400 48.179 1.00 22.87 ? 241 ASP A CB 1 ATOM 1890 C CG . ASP A 1 238 ? -13.742 26.983 49.010 1.00 22.57 ? 241 ASP A CG 1 ATOM 1891 O OD1 . ASP A 1 238 ? -13.496 27.669 50.036 1.00 24.14 ? 241 ASP A OD1 1 ATOM 1892 O OD2 . ASP A 1 238 ? -14.889 26.760 48.620 1.00 23.77 ? 241 ASP A OD2 1 ATOM 1893 N N . THR A 1 239 ? -11.674 25.738 51.071 1.00 22.48 ? 242 THR A N 1 ATOM 1894 C CA . THR A 1 239 ? -11.645 24.855 52.226 1.00 22.03 ? 242 THR A CA 1 ATOM 1895 C C . THR A 1 239 ? -13.034 24.249 52.447 1.00 22.59 ? 242 THR A C 1 ATOM 1896 O O . THR A 1 239 ? -14.053 24.903 52.182 1.00 22.01 ? 242 THR A O 1 ATOM 1897 C CB . THR A 1 239 ? -11.169 25.634 53.448 1.00 22.15 ? 242 THR A CB 1 ATOM 1898 O OG1 . THR A 1 239 ? -9.807 26.042 53.225 1.00 22.25 ? 242 THR A OG1 1 ATOM 1899 C CG2 . THR A 1 239 ? -11.244 24.811 54.717 1.00 23.31 ? 242 THR A CG2 1 ATOM 1900 N N . ILE A 1 240 ? -13.052 22.973 52.845 1.00 20.61 ? 243 ILE A N 1 ATOM 1901 C CA . ILE A 1 240 ? -14.264 22.267 53.310 1.00 21.10 ? 243 ILE A CA 1 ATOM 1902 C C . ILE A 1 240 ? -14.136 21.992 54.805 1.00 22.16 ? 243 ILE A C 1 ATOM 1903 O O . ILE A 1 240 ? -13.097 21.514 55.275 1.00 22.03 ? 243 ILE A O 1 ATOM 1904 C CB . ILE A 1 240 ? -14.539 20.965 52.503 1.00 19.98 ? 243 ILE A CB 1 ATOM 1905 C CG1 . ILE A 1 240 ? -15.939 20.406 52.842 1.00 20.49 ? 243 ILE A CG1 1 ATOM 1906 C CG2 . ILE A 1 240 ? -13.392 19.884 52.698 1.00 20.93 ? 243 ILE A CG2 1 ATOM 1907 C CD1 . ILE A 1 240 ? -16.501 19.450 51.815 1.00 24.60 ? 243 ILE A CD1 1 ATOM 1908 N N . ASN A 1 241 ? -15.184 22.321 55.570 1.00 21.53 ? 244 ASN A N 1 ATOM 1909 C CA . ASN A 1 241 ? -15.217 22.057 56.990 1.00 22.23 ? 244 ASN A CA 1 ATOM 1910 C C . ASN A 1 241 ? -16.351 21.107 57.291 1.00 22.90 ? 244 ASN A C 1 ATOM 1911 O O . ASN A 1 241 ? -17.497 21.322 56.841 1.00 23.02 ? 244 ASN A O 1 ATOM 1912 C CB . ASN A 1 241 ? -15.440 23.354 57.787 1.00 22.69 ? 244 ASN A CB 1 ATOM 1913 C CG . ASN A 1 241 ? -14.223 24.263 57.736 1.00 25.99 ? 244 ASN A CG 1 ATOM 1914 O OD1 . ASN A 1 241 ? -13.140 23.924 58.237 1.00 34.63 ? 244 ASN A OD1 1 ATOM 1915 N ND2 . ASN A 1 241 ? -14.376 25.389 57.125 1.00 29.69 ? 244 ASN A ND2 1 ATOM 1916 N N . PHE A 1 242 ? -16.006 20.030 57.980 1.00 22.21 ? 245 PHE A N 1 ATOM 1917 C CA . PHE A 1 242 ? -17.000 19.072 58.485 1.00 21.97 ? 245 PHE A CA 1 ATOM 1918 C C . PHE A 1 242 ? -17.131 19.298 59.965 1.00 23.91 ? 245 PHE A C 1 ATOM 1919 O O . PHE A 1 242 ? -16.134 19.454 60.675 1.00 24.50 ? 245 PHE A O 1 ATOM 1920 C CB . PHE A 1 242 ? -16.486 17.634 58.271 1.00 21.11 ? 245 PHE A CB 1 ATOM 1921 C CG . PHE A 1 242 ? -16.487 17.236 56.843 1.00 21.18 ? 245 PHE A CG 1 ATOM 1922 C CD1 . PHE A 1 242 ? -17.666 16.845 56.213 1.00 21.97 ? 245 PHE A CD1 1 ATOM 1923 C CD2 . PHE A 1 242 ? -15.309 17.306 56.102 1.00 22.48 ? 245 PHE A CD2 1 ATOM 1924 C CE1 . PHE A 1 242 ? -17.687 16.523 54.892 1.00 22.62 ? 245 PHE A CE1 1 ATOM 1925 C CE2 . PHE A 1 242 ? -15.316 16.976 54.767 1.00 22.96 ? 245 PHE A CE2 1 ATOM 1926 C CZ . PHE A 1 242 ? -16.503 16.565 54.159 1.00 20.77 ? 245 PHE A CZ 1 ATOM 1927 N N . GLU A 1 243 ? -18.373 19.283 60.440 1.00 25.30 ? 246 GLU A N 1 ATOM 1928 C CA . GLU A 1 243 ? -18.640 19.456 61.828 1.00 27.04 ? 246 GLU A CA 1 ATOM 1929 C C . GLU A 1 243 ? -19.862 18.614 62.151 1.00 26.33 ? 246 GLU A C 1 ATOM 1930 O O . GLU A 1 243 ? -20.878 18.717 61.472 1.00 27.21 ? 246 GLU A O 1 ATOM 1931 C CB . GLU A 1 243 ? -18.912 20.934 62.093 1.00 26.94 ? 246 GLU A CB 1 ATOM 1932 C CG . GLU A 1 243 ? -19.446 21.284 63.463 1.00 30.75 ? 246 GLU A CG 1 ATOM 1933 C CD . GLU A 1 243 ? -19.767 22.762 63.547 1.00 33.42 ? 246 GLU A CD 1 ATOM 1934 O OE1 . GLU A 1 243 ? -18.815 23.561 63.410 1.00 33.65 ? 246 GLU A OE1 1 ATOM 1935 O OE2 . GLU A 1 243 ? -20.974 23.127 63.704 1.00 32.57 ? 246 GLU A OE2 1 ATOM 1936 N N . SER A 1 244 ? -19.740 17.804 63.176 1.00 25.87 ? 247 SER A N 1 ATOM 1937 C CA . SER A 1 244 ? -20.822 16.880 63.525 1.00 25.46 ? 247 SER A CA 1 ATOM 1938 C C . SER A 1 244 ? -20.829 16.478 64.988 1.00 25.72 ? 247 SER A C 1 ATOM 1939 O O . SER A 1 244 ? -19.797 16.256 65.596 1.00 24.70 ? 247 SER A O 1 ATOM 1940 C CB . SER A 1 244 ? -20.732 15.628 62.644 1.00 25.22 ? 247 SER A CB 1 ATOM 1941 O OG . SER A 1 244 ? -21.687 14.661 63.057 1.00 25.95 ? 247 SER A OG 1 ATOM 1942 N N . THR A 1 245 ? -22.033 16.380 65.560 1.00 26.28 ? 248 THR A N 1 ATOM 1943 C CA . THR A 1 245 ? -22.199 15.824 66.905 1.00 27.86 ? 248 THR A CA 1 ATOM 1944 C C . THR A 1 245 ? -22.546 14.342 66.924 1.00 27.05 ? 248 THR A C 1 ATOM 1945 O O . THR A 1 245 ? -22.843 13.764 67.971 1.00 28.44 ? 248 THR A O 1 ATOM 1946 C CB . THR A 1 245 ? -23.283 16.582 67.719 1.00 26.98 ? 248 THR A CB 1 ATOM 1947 O OG1 . THR A 1 245 ? -24.414 16.879 66.885 1.00 30.34 ? 248 THR A OG1 1 ATOM 1948 C CG2 . THR A 1 245 ? -22.699 17.911 68.197 1.00 29.90 ? 248 THR A CG2 1 ATOM 1949 N N . GLY A 1 246 ? -22.514 13.723 65.746 1.00 26.61 ? 249 GLY A N 1 ATOM 1950 C CA . GLY A 1 246 ? -22.869 12.321 65.595 1.00 24.25 ? 249 GLY A CA 1 ATOM 1951 C C . GLY A 1 246 ? -23.390 12.086 64.197 1.00 22.08 ? 249 GLY A C 1 ATOM 1952 O O . GLY A 1 246 ? -23.929 13.006 63.571 1.00 22.58 ? 249 GLY A O 1 ATOM 1953 N N . ASN A 1 247 ? -23.197 10.843 63.734 1.00 22.00 ? 250 ASN A N 1 ATOM 1954 C CA . ASN A 1 247 ? -23.809 10.311 62.515 1.00 20.74 ? 250 ASN A CA 1 ATOM 1955 C C . ASN A 1 247 ? -23.056 10.690 61.234 1.00 20.31 ? 250 ASN A C 1 ATOM 1956 O O . ASN A 1 247 ? -23.539 10.426 60.146 1.00 19.89 ? 250 ASN A O 1 ATOM 1957 C CB . ASN A 1 247 ? -25.293 10.675 62.411 1.00 19.96 ? 250 ASN A CB 1 ATOM 1958 C CG . ASN A 1 247 ? -26.090 10.242 63.630 1.00 24.08 ? 250 ASN A CG 1 ATOM 1959 O OD1 . ASN A 1 247 ? -25.929 10.794 64.726 1.00 22.17 ? 250 ASN A OD1 1 ATOM 1960 N ND2 . ASN A 1 247 ? -26.960 9.270 63.448 1.00 21.68 ? 250 ASN A ND2 1 ATOM 1961 N N . LEU A 1 248 ? -21.887 11.322 61.370 1.00 19.18 ? 251 LEU A N 1 ATOM 1962 C CA . LEU A 1 248 ? -21.091 11.688 60.215 1.00 18.61 ? 251 LEU A CA 1 ATOM 1963 C C . LEU A 1 248 ? -20.377 10.466 59.656 1.00 18.35 ? 251 LEU A C 1 ATOM 1964 O O . LEU A 1 248 ? -19.704 9.716 60.392 1.00 18.05 ? 251 LEU A O 1 ATOM 1965 C CB . LEU A 1 248 ? -20.050 12.743 60.637 1.00 17.95 ? 251 LEU A CB 1 ATOM 1966 C CG . LEU A 1 248 ? -18.913 13.034 59.666 1.00 18.09 ? 251 LEU A CG 1 ATOM 1967 C CD1 . LEU A 1 248 ? -19.449 13.680 58.391 1.00 20.94 ? 251 LEU A CD1 1 ATOM 1968 C CD2 . LEU A 1 248 ? -17.868 13.887 60.350 1.00 19.52 ? 251 LEU A CD2 1 ATOM 1969 N N . ILE A 1 249 ? -20.512 10.286 58.331 1.00 16.57 ? 252 ILE A N 1 ATOM 1970 C CA . ILE A 1 249 ? -19.683 9.338 57.588 1.00 17.44 ? 252 ILE A CA 1 ATOM 1971 C C . ILE A 1 249 ? -18.721 10.219 56.779 1.00 16.83 ? 252 ILE A C 1 ATOM 1972 O O . ILE A 1 249 ? -19.099 10.866 55.786 1.00 17.26 ? 252 ILE A O 1 ATOM 1973 C CB . ILE A 1 249 ? -20.569 8.470 56.659 1.00 17.19 ? 252 ILE A CB 1 ATOM 1974 C CG1 . ILE A 1 249 ? -21.696 7.780 57.438 1.00 17.93 ? 252 ILE A CG1 1 ATOM 1975 C CG2 . ILE A 1 249 ? -19.692 7.467 55.927 1.00 18.51 ? 252 ILE A CG2 1 ATOM 1976 C CD1 . ILE A 1 249 ? -21.221 6.969 58.620 1.00 18.11 ? 252 ILE A CD1 1 ATOM 1977 N N . ALA A 1 250 ? -17.486 10.302 57.261 1.00 17.57 ? 253 ALA A N 1 ATOM 1978 C CA . ALA A 1 250 ? -16.547 11.264 56.710 1.00 17.26 ? 253 ALA A CA 1 ATOM 1979 C C . ALA A 1 250 ? -15.787 10.671 55.528 1.00 17.18 ? 253 ALA A C 1 ATOM 1980 O O . ALA A 1 250 ? -15.494 9.478 55.523 1.00 18.32 ? 253 ALA A O 1 ATOM 1981 C CB . ALA A 1 250 ? -15.551 11.671 57.794 1.00 17.77 ? 253 ALA A CB 1 ATOM 1982 N N . PRO A 1 251 ? -15.421 11.501 54.542 1.00 17.09 ? 254 PRO A N 1 ATOM 1983 C CA . PRO A 1 251 ? -14.473 10.969 53.547 1.00 16.80 ? 254 PRO A CA 1 ATOM 1984 C C . PRO A 1 251 ? -13.106 10.869 54.187 1.00 17.22 ? 254 PRO A C 1 ATOM 1985 O O . PRO A 1 251 ? -12.779 11.706 55.043 1.00 17.76 ? 254 PRO A O 1 ATOM 1986 C CB . PRO A 1 251 ? -14.451 12.077 52.458 1.00 16.86 ? 254 PRO A CB 1 ATOM 1987 C CG . PRO A 1 251 ? -14.849 13.354 53.206 1.00 18.98 ? 254 PRO A CG 1 ATOM 1988 C CD . PRO A 1 251 ? -15.783 12.926 54.300 1.00 17.67 ? 254 PRO A CD 1 ATOM 1989 N N . GLU A 1 252 ? -12.322 9.879 53.757 1.00 16.66 ? 255 GLU A N 1 ATOM 1990 C CA . GLU A 1 252 ? -10.885 9.907 54.011 1.00 16.43 ? 255 GLU A CA 1 ATOM 1991 C C . GLU A 1 252 ? -10.147 10.515 52.823 1.00 17.91 ? 255 GLU A C 1 ATOM 1992 O O . GLU A 1 252 ? -9.039 11.031 52.972 1.00 17.28 ? 255 GLU A O 1 ATOM 1993 C CB . GLU A 1 252 ? -10.335 8.505 54.333 1.00 18.10 ? 255 GLU A CB 1 ATOM 1994 C CG . GLU A 1 252 ? -8.932 8.632 54.909 1.00 19.81 ? 255 GLU A CG 1 ATOM 1995 C CD . GLU A 1 252 ? -8.307 7.349 55.364 1.00 23.91 ? 255 GLU A CD 1 ATOM 1996 O OE1 . GLU A 1 252 ? -8.743 6.262 54.931 1.00 24.32 ? 255 GLU A OE1 1 ATOM 1997 O OE2 . GLU A 1 252 ? -7.304 7.451 56.125 1.00 23.38 ? 255 GLU A OE2 1 ATOM 1998 N N . TYR A 1 253 ? -10.763 10.425 51.648 1.00 18.47 ? 256 TYR A N 1 ATOM 1999 C CA . TYR A 1 253 ? -10.113 10.823 50.388 1.00 18.46 ? 256 TYR A CA 1 ATOM 2000 C C . TYR A 1 253 ? -10.933 11.889 49.652 1.00 19.29 ? 256 TYR A C 1 ATOM 2001 O O . TYR A 1 253 ? -12.120 12.136 49.964 1.00 21.46 ? 256 TYR A O 1 ATOM 2002 C CB . TYR A 1 253 ? -9.985 9.592 49.473 1.00 19.54 ? 256 TYR A CB 1 ATOM 2003 C CG . TYR A 1 253 ? -9.095 8.500 50.006 1.00 18.40 ? 256 TYR A CG 1 ATOM 2004 C CD1 . TYR A 1 253 ? -7.719 8.492 49.726 1.00 20.58 ? 256 TYR A CD1 1 ATOM 2005 C CD2 . TYR A 1 253 ? -9.622 7.459 50.771 1.00 20.24 ? 256 TYR A CD2 1 ATOM 2006 C CE1 . TYR A 1 253 ? -6.883 7.460 50.227 1.00 23.13 ? 256 TYR A CE1 1 ATOM 2007 C CE2 . TYR A 1 253 ? -8.801 6.447 51.267 1.00 21.82 ? 256 TYR A CE2 1 ATOM 2008 C CZ . TYR A 1 253 ? -7.458 6.457 50.993 1.00 22.76 ? 256 TYR A CZ 1 ATOM 2009 O OH . TYR A 1 253 ? -6.684 5.402 51.474 1.00 25.90 ? 256 TYR A OH 1 ATOM 2010 N N . GLY A 1 254 ? -10.287 12.532 48.697 1.00 17.97 ? 257 GLY A N 1 ATOM 2011 C CA . GLY A 1 254 ? -10.971 13.311 47.654 1.00 18.03 ? 257 GLY A CA 1 ATOM 2012 C C . GLY A 1 254 ? -10.455 12.860 46.308 1.00 18.26 ? 257 GLY A C 1 ATOM 2013 O O . GLY A 1 254 ? -9.355 12.297 46.227 1.00 19.47 ? 257 GLY A O 1 ATOM 2014 N N . PHE A 1 255 ? -11.248 13.054 45.250 1.00 18.02 ? 258 PHE A N 1 ATOM 2015 C CA . PHE A 1 255 ? -10.818 12.674 43.906 1.00 17.75 ? 258 PHE A CA 1 ATOM 2016 C C . PHE A 1 255 ? -10.496 13.953 43.147 1.00 18.72 ? 258 PHE A C 1 ATOM 2017 O O . PHE A 1 255 ? -11.414 14.687 42.743 1.00 18.56 ? 258 PHE A O 1 ATOM 2018 C CB . PHE A 1 255 ? -11.898 11.865 43.180 1.00 18.50 ? 258 PHE A CB 1 ATOM 2019 C CG . PHE A 1 255 ? -12.134 10.504 43.780 1.00 16.97 ? 258 PHE A CG 1 ATOM 2020 C CD1 . PHE A 1 255 ? -11.489 9.393 43.281 1.00 18.34 ? 258 PHE A CD1 1 ATOM 2021 C CD2 . PHE A 1 255 ? -13.036 10.320 44.828 1.00 18.20 ? 258 PHE A CD2 1 ATOM 2022 C CE1 . PHE A 1 255 ? -11.728 8.109 43.796 1.00 19.82 ? 258 PHE A CE1 1 ATOM 2023 C CE2 . PHE A 1 255 ? -13.247 9.018 45.374 1.00 17.45 ? 258 PHE A CE2 1 ATOM 2024 C CZ . PHE A 1 255 ? -12.581 7.927 44.841 1.00 18.80 ? 258 PHE A CZ 1 ATOM 2025 N N . LYS A 1 256 ? -9.202 14.222 43.021 1.00 18.07 ? 259 LYS A N 1 ATOM 2026 C CA . LYS A 1 256 ? -8.750 15.394 42.270 1.00 18.05 ? 259 LYS A CA 1 ATOM 2027 C C . LYS A 1 256 ? -8.976 15.088 40.784 1.00 18.86 ? 259 LYS A C 1 ATOM 2028 O O . LYS A 1 256 ? -8.595 14.014 40.312 1.00 19.31 ? 259 LYS A O 1 ATOM 2029 C CB . LYS A 1 256 ? -7.248 15.659 42.538 1.00 17.55 ? 259 LYS A CB 1 ATOM 2030 C CG . LYS A 1 256 ? -6.683 16.736 41.668 1.00 21.63 ? 259 LYS A CG 1 ATOM 2031 C CD . LYS A 1 256 ? -5.156 16.645 41.664 1.00 24.33 ? 259 LYS A CD 1 ATOM 2032 C CE . LYS A 1 256 ? -4.532 17.696 40.755 1.00 28.50 ? 259 LYS A CE 1 ATOM 2033 N NZ . LYS A 1 256 ? -3.034 17.690 40.919 1.00 30.77 ? 259 LYS A NZ 1 ATOM 2034 N N . ILE A 1 257 ? -9.585 16.020 40.051 1.00 20.09 ? 260 ILE A N 1 ATOM 2035 C CA . ILE A 1 257 ? -9.755 15.836 38.603 1.00 22.17 ? 260 ILE A CA 1 ATOM 2036 C C . ILE A 1 257 ? -8.401 16.039 37.934 1.00 23.05 ? 260 ILE A C 1 ATOM 2037 O O . ILE A 1 257 ? -7.895 17.158 37.936 1.00 25.00 ? 260 ILE A O 1 ATOM 2038 C CB . ILE A 1 257 ? -10.787 16.794 38.021 1.00 22.33 ? 260 ILE A CB 1 ATOM 2039 C CG1 . ILE A 1 257 ? -12.158 16.505 38.645 1.00 21.49 ? 260 ILE A CG1 1 ATOM 2040 C CG2 . ILE A 1 257 ? -10.719 16.734 36.464 1.00 22.18 ? 260 ILE A CG2 1 ATOM 2041 C CD1 . ILE A 1 257 ? -13.263 17.500 38.177 1.00 24.26 ? 260 ILE A CD1 1 ATOM 2042 N N . SER A 1 258 ? -7.842 14.977 37.366 1.00 22.90 ? 261 SER A N 1 ATOM 2043 C CA . SER A 1 258 ? -6.443 15.003 36.858 1.00 24.78 ? 261 SER A CA 1 ATOM 2044 C C . SER A 1 258 ? -6.362 14.971 35.327 1.00 25.75 ? 261 SER A C 1 ATOM 2045 O O . SER A 1 258 ? -5.291 15.225 34.719 1.00 26.75 ? 261 SER A O 1 ATOM 2046 C CB . SER A 1 258 ? -5.607 13.889 37.478 1.00 24.63 ? 261 SER A CB 1 ATOM 2047 O OG . SER A 1 258 ? -6.202 12.624 37.286 1.00 26.86 ? 261 SER A OG 1 ATOM 2048 N N . LYS A 1 259 ? -7.480 14.632 34.703 1.00 24.96 ? 262 LYS A N 1 ATOM 2049 C CA . LYS A 1 259 ? -7.612 14.761 33.261 1.00 25.47 ? 262 LYS A CA 1 ATOM 2050 C C . LYS A 1 259 ? -9.057 15.039 32.852 1.00 25.55 ? 262 LYS A C 1 ATOM 2051 O O . LYS A 1 259 ? -9.997 14.383 33.313 1.00 24.25 ? 262 LYS A O 1 ATOM 2052 C CB . LYS A 1 259 ? -7.079 13.542 32.529 1.00 26.04 ? 262 LYS A CB 1 ATOM 2053 C CG . LYS A 1 259 ? -6.983 13.774 31.046 1.00 30.48 ? 262 LYS A CG 1 ATOM 2054 C CD . LYS A 1 259 ? -6.048 12.825 30.378 1.00 34.71 ? 262 LYS A CD 1 ATOM 2055 C CE . LYS A 1 259 ? -5.803 13.301 28.929 1.00 37.15 ? 262 LYS A CE 1 ATOM 2056 N NZ . LYS A 1 259 ? -4.983 14.556 28.867 1.00 41.80 ? 262 LYS A NZ 1 ATOM 2057 N N . ARG A 1 260 ? -9.215 15.991 31.935 1.00 26.24 ? 263 ARG A N 1 ATOM 2058 C CA . ARG A 1 260 ? -10.525 16.402 31.484 1.00 27.54 ? 263 ARG A CA 1 ATOM 2059 C C . ARG A 1 260 ? -10.633 16.101 30.000 1.00 27.73 ? 263 ARG A C 1 ATOM 2060 O O . ARG A 1 260 ? -9.630 16.055 29.299 1.00 27.91 ? 263 ARG A O 1 ATOM 2061 C CB . ARG A 1 260 ? -10.749 17.900 31.720 1.00 27.66 ? 263 ARG A CB 1 ATOM 2062 C CG . ARG A 1 260 ? -10.913 18.290 33.176 1.00 30.39 ? 263 ARG A CG 1 ATOM 2063 C CD . ARG A 1 260 ? -10.771 19.786 33.351 1.00 32.05 ? 263 ARG A CD 1 ATOM 2064 N NE . ARG A 1 260 ? -10.872 20.201 34.751 1.00 36.22 ? 263 ARG A NE 1 ATOM 2065 C CZ . ARG A 1 260 ? -12.006 20.328 35.438 1.00 34.96 ? 263 ARG A CZ 1 ATOM 2066 N NH1 . ARG A 1 260 ? -13.183 20.040 34.890 1.00 38.09 ? 263 ARG A NH1 1 ATOM 2067 N NH2 . ARG A 1 260 ? -11.956 20.728 36.700 1.00 34.87 ? 263 ARG A NH2 1 ATOM 2068 N N . GLY A 1 261 A -11.857 15.879 29.541 1.00 27.96 ? 263 GLY A N 1 ATOM 2069 C CA . GLY A 1 261 A -12.115 15.718 28.117 1.00 27.88 ? 263 GLY A CA 1 ATOM 2070 C C . GLY A 1 261 A -13.345 14.901 27.809 1.00 28.39 ? 263 GLY A C 1 ATOM 2071 O O . GLY A 1 261 A -13.981 14.399 28.713 1.00 28.86 ? 263 GLY A O 1 ATOM 2072 N N . SER A 1 262 ? -13.646 14.740 26.521 1.00 28.96 ? 264 SER A N 1 ATOM 2073 C CA . SER A 1 262 ? -14.876 14.090 26.095 1.00 30.46 ? 264 SER A CA 1 ATOM 2074 C C . SER A 1 262 ? -14.798 12.618 26.437 1.00 29.80 ? 264 SER A C 1 ATOM 2075 O O . SER A 1 262 ? -13.849 11.947 26.066 1.00 30.34 ? 264 SER A O 1 ATOM 2076 C CB . SER A 1 262 ? -15.087 14.273 24.594 1.00 30.76 ? 264 SER A CB 1 ATOM 2077 O OG . SER A 1 262 ? -16.478 14.353 24.328 1.00 35.87 ? 264 SER A OG 1 ATOM 2078 N N . SER A 1 263 ? -15.790 12.144 27.181 1.00 28.81 ? 265 SER A N 1 ATOM 2079 C CA . SER A 1 263 ? -15.814 10.780 27.651 1.00 28.56 ? 265 SER A CA 1 ATOM 2080 C C . SER A 1 263 ? -17.277 10.350 27.685 1.00 27.58 ? 265 SER A C 1 ATOM 2081 O O . SER A 1 263 ? -18.082 10.806 26.856 1.00 28.59 ? 265 SER A O 1 ATOM 2082 C CB . SER A 1 263 ? -15.160 10.674 29.020 1.00 29.02 ? 265 SER A CB 1 ATOM 2083 O OG . SER A 1 263 ? -14.933 9.309 29.310 1.00 31.57 ? 265 SER A OG 1 ATOM 2084 N N . GLY A 1 264 ? -17.645 9.524 28.650 1.00 26.51 ? 266 GLY A N 1 ATOM 2085 C CA . GLY A 1 264 ? -19.058 9.150 28.774 1.00 24.86 ? 266 GLY A CA 1 ATOM 2086 C C . GLY A 1 264 ? -19.172 7.805 29.434 1.00 24.80 ? 266 GLY A C 1 ATOM 2087 O O . GLY A 1 264 ? -18.200 7.060 29.491 1.00 23.83 ? 266 GLY A O 1 ATOM 2088 N N . ILE A 1 265 ? -20.372 7.517 29.930 1.00 25.33 ? 267 ILE A N 1 ATOM 2089 C CA . ILE A 1 265 ? -20.659 6.237 30.515 1.00 24.66 ? 267 ILE A CA 1 ATOM 2090 C C . ILE A 1 265 ? -21.478 5.481 29.507 1.00 25.80 ? 267 ILE A C 1 ATOM 2091 O O . ILE A 1 265 ? -22.557 5.943 29.091 1.00 27.41 ? 267 ILE A O 1 ATOM 2092 C CB . ILE A 1 265 ? -21.426 6.352 31.810 1.00 25.06 ? 267 ILE A CB 1 ATOM 2093 C CG1 . ILE A 1 265 ? -20.604 7.109 32.854 1.00 26.78 ? 267 ILE A CG1 1 ATOM 2094 C CG2 . ILE A 1 265 ? -21.811 4.961 32.302 1.00 27.08 ? 267 ILE A CG2 1 ATOM 2095 C CD1 . ILE A 1 265 ? -21.375 7.388 34.134 1.00 28.11 ? 267 ILE A CD1 1 ATOM 2096 N N . MET A 1 266 ? -20.945 4.358 29.080 1.00 24.14 ? 268 MET A N 1 ATOM 2097 C CA . MET A 1 266 ? -21.660 3.438 28.205 1.00 26.42 ? 268 MET A CA 1 ATOM 2098 C C . MET A 1 266 ? -22.353 2.359 29.017 1.00 24.97 ? 268 MET A C 1 ATOM 2099 O O . MET A 1 266 ? -21.699 1.641 29.784 1.00 23.71 ? 268 MET A O 1 ATOM 2100 C CB . MET A 1 266 ? -20.663 2.772 27.283 1.00 26.33 ? 268 MET A CB 1 ATOM 2101 C CG . MET A 1 266 ? -21.274 1.869 26.235 1.00 28.58 ? 268 MET A CG 1 ATOM 2102 S SD . MET A 1 266 ? -20.101 1.685 24.863 1.00 33.00 ? 268 MET A SD 1 ATOM 2103 C CE . MET A 1 266 ? -20.217 3.358 24.218 1.00 25.59 ? 268 MET A CE 1 ATOM 2104 N N . LYS A 1 267 ? -23.663 2.203 28.810 1.00 24.29 ? 269 LYS A N 1 ATOM 2105 C CA . LYS A 1 267 ? -24.405 1.133 29.469 1.00 24.45 ? 269 LYS A CA 1 ATOM 2106 C C . LYS A 1 267 ? -24.252 -0.167 28.679 1.00 24.44 ? 269 LYS A C 1 ATOM 2107 O O . LYS A 1 267 ? -24.640 -0.232 27.508 1.00 24.69 ? 269 LYS A O 1 ATOM 2108 C CB . LYS A 1 267 ? -25.897 1.510 29.639 1.00 25.78 ? 269 LYS A CB 1 ATOM 2109 C CG . LYS A 1 267 ? -26.137 2.571 30.728 1.00 28.10 ? 269 LYS A CG 1 ATOM 2110 C CD . LYS A 1 267 ? -25.765 2.004 32.145 1.00 31.19 ? 269 LYS A CD 1 ATOM 2111 C CE . LYS A 1 267 ? -26.534 2.653 33.309 1.00 33.19 ? 269 LYS A CE 1 ATOM 2112 N NZ . LYS A 1 267 ? -26.332 1.956 34.652 1.00 31.60 ? 269 LYS A NZ 1 ATOM 2113 N N . THR A 1 268 ? -23.653 -1.182 29.304 1.00 22.38 ? 270 THR A N 1 ATOM 2114 C CA . THR A 1 268 ? -23.358 -2.461 28.649 1.00 22.84 ? 270 THR A CA 1 ATOM 2115 C C . THR A 1 268 ? -23.147 -3.574 29.660 1.00 22.40 ? 270 THR A C 1 ATOM 2116 O O . THR A 1 268 ? -22.613 -3.330 30.764 1.00 21.87 ? 270 THR A O 1 ATOM 2117 C CB . THR A 1 268 ? -22.099 -2.371 27.722 1.00 22.73 ? 270 THR A CB 1 ATOM 2118 O OG1 . THR A 1 268 ? -21.802 -3.645 27.153 1.00 22.63 ? 270 THR A OG1 1 ATOM 2119 C CG2 . THR A 1 268 ? -20.849 -1.827 28.479 1.00 23.77 ? 270 THR A CG2 1 ATOM 2120 N N . GLU A 1 269 ? -23.535 -4.795 29.273 1.00 21.96 ? 271 GLU A N 1 ATOM 2121 C CA . GLU A 1 269 ? -23.291 -5.964 30.105 1.00 22.39 ? 271 GLU A CA 1 ATOM 2122 C C . GLU A 1 269 ? -22.007 -6.673 29.702 1.00 22.50 ? 271 GLU A C 1 ATOM 2123 O O . GLU A 1 269 ? -21.616 -7.684 30.293 1.00 22.59 ? 271 GLU A O 1 ATOM 2124 C CB . GLU A 1 269 ? -24.482 -6.929 30.024 1.00 22.99 ? 271 GLU A CB 1 ATOM 2125 C CG . GLU A 1 269 ? -25.819 -6.204 30.212 1.00 23.94 ? 271 GLU A CG 1 ATOM 2126 C CD . GLU A 1 269 ? -25.923 -5.472 31.550 1.00 24.68 ? 271 GLU A CD 1 ATOM 2127 O OE1 . GLU A 1 269 ? -25.654 -6.104 32.572 1.00 27.76 ? 271 GLU A OE1 1 ATOM 2128 O OE2 . GLU A 1 269 ? -26.282 -4.266 31.567 1.00 27.64 ? 271 GLU A OE2 1 ATOM 2129 N N . GLY A 1 270 ? -21.354 -6.141 28.669 1.00 22.03 ? 272 GLY A N 1 ATOM 2130 C CA . GLY A 1 270 ? -20.204 -6.792 28.067 1.00 22.84 ? 272 GLY A CA 1 ATOM 2131 C C . GLY A 1 270 ? -18.891 -6.496 28.747 1.00 22.74 ? 272 GLY A C 1 ATOM 2132 O O . GLY A 1 270 ? -18.829 -5.752 29.730 1.00 22.46 ? 272 GLY A O 1 ATOM 2133 N N . THR A 1 271 ? -17.831 -7.093 28.205 1.00 22.38 ? 273 THR A N 1 ATOM 2134 C CA . THR A 1 271 ? -16.493 -6.936 28.753 1.00 21.94 ? 273 THR A CA 1 ATOM 2135 C C . THR A 1 271 ? -15.491 -6.479 27.688 1.00 20.92 ? 273 THR A C 1 ATOM 2136 O O . THR A 1 271 ? -15.683 -6.738 26.485 1.00 21.27 ? 273 THR A O 1 ATOM 2137 C CB . THR A 1 271 ? -16.043 -8.235 29.471 1.00 22.58 ? 273 THR A CB 1 ATOM 2138 O OG1 . THR A 1 271 ? -14.888 -7.974 30.282 1.00 24.74 ? 273 THR A OG1 1 ATOM 2139 C CG2 . THR A 1 271 ? -15.761 -9.348 28.466 1.00 23.99 ? 273 THR A CG2 1 ATOM 2140 N N . LEU A 1 272 ? -14.435 -5.791 28.123 1.00 19.19 ? 274 LEU A N 1 ATOM 2141 C CA . LEU A 1 272 ? -13.445 -5.275 27.199 1.00 19.06 ? 274 LEU A CA 1 ATOM 2142 C C . LEU A 1 272 ? -12.706 -6.411 26.483 1.00 19.65 ? 274 LEU A C 1 ATOM 2143 O O . LEU A 1 272 ? -12.271 -7.397 27.111 1.00 20.41 ? 274 LEU A O 1 ATOM 2144 C CB . LEU A 1 272 ? -12.424 -4.402 27.940 1.00 19.54 ? 274 LEU A CB 1 ATOM 2145 C CG . LEU A 1 272 ? -11.275 -3.812 27.101 1.00 18.51 ? 274 LEU A CG 1 ATOM 2146 C CD1 . LEU A 1 272 ? -11.784 -2.899 26.013 1.00 20.57 ? 274 LEU A CD1 1 ATOM 2147 C CD2 . LEU A 1 272 ? -10.313 -3.088 28.058 1.00 19.42 ? 274 LEU A CD2 1 ATOM 2148 N N . GLU A 1 273 ? -12.569 -6.268 25.165 1.00 18.58 ? 275 GLU A N 1 ATOM 2149 C CA . GLU A 1 273 ? -11.767 -7.206 24.384 1.00 20.19 ? 275 GLU A CA 1 ATOM 2150 C C . GLU A 1 273 ? -10.495 -6.535 23.879 1.00 19.95 ? 275 GLU A C 1 ATOM 2151 O O . GLU A 1 273 ? -10.351 -5.301 23.920 1.00 20.59 ? 275 GLU A O 1 ATOM 2152 C CB . GLU A 1 273 ? -12.581 -7.783 23.236 1.00 20.83 ? 275 GLU A CB 1 ATOM 2153 C CG . GLU A 1 273 ? -13.700 -8.686 23.765 1.00 23.68 ? 275 GLU A CG 1 ATOM 2154 C CD . GLU A 1 273 ? -14.504 -9.318 22.664 1.00 27.60 ? 275 GLU A CD 1 ATOM 2155 O OE1 . GLU A 1 273 ? -13.906 -10.045 21.828 1.00 29.85 ? 275 GLU A OE1 1 ATOM 2156 O OE2 . GLU A 1 273 ? -15.732 -9.091 22.645 1.00 27.68 ? 275 GLU A OE2 1 ATOM 2157 N N . ASN A 1 274 ? -9.570 -7.362 23.403 1.00 20.56 ? 276 ASN A N 1 ATOM 2158 C CA . ASN A 1 274 ? -8.286 -6.872 22.956 1.00 21.65 ? 276 ASN A CA 1 ATOM 2159 C C . ASN A 1 274 ? -8.410 -6.388 21.511 1.00 22.21 ? 276 ASN A C 1 ATOM 2160 O O . ASN A 1 274 ? -8.034 -7.089 20.555 1.00 23.63 ? 276 ASN A O 1 ATOM 2161 C CB . ASN A 1 274 ? -7.214 -7.963 23.102 1.00 21.28 ? 276 ASN A CB 1 ATOM 2162 C CG . ASN A 1 274 ? -5.827 -7.458 22.719 1.00 21.90 ? 276 ASN A CG 1 ATOM 2163 O OD1 . ASN A 1 274 ? -5.602 -6.252 22.639 1.00 27.76 ? 276 ASN A OD1 1 ATOM 2164 N ND2 . ASN A 1 274 ? -4.889 -8.387 22.481 1.00 24.00 ? 276 ASN A ND2 1 ATOM 2165 N N . CYS A 1 275 ? -8.981 -5.192 21.367 1.00 22.62 ? 277 CYS A N 1 ATOM 2166 C CA . CYS A 1 275 ? -9.251 -4.577 20.067 1.00 24.53 ? 277 CYS A CA 1 ATOM 2167 C C . CYS A 1 275 ? -9.108 -3.076 20.198 1.00 23.61 ? 277 CYS A C 1 ATOM 2168 O O . CYS A 1 275 ? -9.133 -2.530 21.312 1.00 22.27 ? 277 CYS A O 1 ATOM 2169 C CB . CYS A 1 275 ? -10.648 -4.945 19.503 1.00 25.61 ? 277 CYS A CB 1 ATOM 2170 S SG . CYS A 1 275 ? -12.125 -4.663 20.578 1.00 35.55 ? 277 CYS A SG 1 ATOM 2171 N N . GLU A 1 276 ? -8.939 -2.431 19.052 1.00 23.03 ? 278 GLU A N 1 ATOM 2172 C CA . GLU A 1 276 ? -8.703 -1.000 18.951 1.00 23.72 ? 278 GLU A CA 1 ATOM 2173 C C . GLU A 1 276 ? -9.759 -0.376 18.041 1.00 23.18 ? 278 GLU A C 1 ATOM 2174 O O . GLU A 1 276 ? -10.120 -0.969 17.012 1.00 23.33 ? 278 GLU A O 1 ATOM 2175 C CB . GLU A 1 276 ? -7.301 -0.791 18.348 1.00 24.33 ? 278 GLU A CB 1 ATOM 2176 C CG . GLU A 1 276 ? -7.022 0.607 17.794 1.00 27.02 ? 278 GLU A CG 1 ATOM 2177 C CD . GLU A 1 276 ? -7.029 1.652 18.869 1.00 32.70 ? 278 GLU A CD 1 ATOM 2178 O OE1 . GLU A 1 276 ? -7.003 1.267 20.060 1.00 32.23 ? 278 GLU A OE1 1 ATOM 2179 O OE2 . GLU A 1 276 ? -7.072 2.848 18.513 1.00 35.82 ? 278 GLU A OE2 1 ATOM 2180 N N . THR A 1 277 ? -10.249 0.799 18.409 1.00 22.14 ? 279 THR A N 1 ATOM 2181 C CA . THR A 1 277 ? -11.192 1.528 17.554 1.00 21.68 ? 279 THR A CA 1 ATOM 2182 C C . THR A 1 277 ? -11.065 3.043 17.684 1.00 22.48 ? 279 THR A C 1 ATOM 2183 O O . THR A 1 277 ? -10.481 3.543 18.654 1.00 23.23 ? 279 THR A O 1 ATOM 2184 C CB . THR A 1 277 ? -12.682 1.096 17.815 1.00 21.66 ? 279 THR A CB 1 ATOM 2185 O OG1 . THR A 1 277 ? -13.507 1.586 16.755 1.00 22.07 ? 279 THR A OG1 1 ATOM 2186 C CG2 . THR A 1 277 ? -13.197 1.656 19.144 1.00 21.85 ? 279 THR A CG2 1 ATOM 2187 N N . LYS A 1 278 ? -11.585 3.762 16.689 1.00 22.49 ? 280 LYS A N 1 ATOM 2188 C CA . LYS A 1 278 ? -11.766 5.204 16.779 1.00 23.52 ? 280 LYS A CA 1 ATOM 2189 C C . LYS A 1 278 ? -13.201 5.603 17.128 1.00 23.12 ? 280 LYS A C 1 ATOM 2190 O O . LYS A 1 278 ? -13.454 6.763 17.438 1.00 23.74 ? 280 LYS A O 1 ATOM 2191 C CB . LYS A 1 278 ? -11.350 5.880 15.466 1.00 24.53 ? 280 LYS A CB 1 ATOM 2192 C CG . LYS A 1 278 ? -9.881 5.668 15.127 1.00 27.48 ? 280 LYS A CG 1 ATOM 2193 C CD . LYS A 1 278 ? -9.567 6.206 13.725 1.00 33.48 ? 280 LYS A CD 1 ATOM 2194 C CE . LYS A 1 278 ? -8.699 5.238 12.944 1.00 35.45 ? 280 LYS A CE 1 ATOM 2195 N NZ . LYS A 1 278 ? -8.795 5.460 11.460 1.00 39.43 ? 280 LYS A NZ 1 ATOM 2196 N N . CYS A 1 279 ? -14.124 4.632 17.065 1.00 23.39 ? 281 CYS A N 1 ATOM 2197 C CA . CYS A 1 279 ? -15.552 4.862 17.247 1.00 22.71 ? 281 CYS A CA 1 ATOM 2198 C C . CYS A 1 279 ? -16.194 3.662 17.962 1.00 22.08 ? 281 CYS A C 1 ATOM 2199 O O . CYS A 1 279 ? -16.269 2.560 17.398 1.00 22.34 ? 281 CYS A O 1 ATOM 2200 C CB . CYS A 1 279 ? -16.254 5.072 15.898 1.00 23.75 ? 281 CYS A CB 1 ATOM 2201 S SG . CYS A 1 279 ? -18.038 5.322 16.069 1.00 26.16 ? 281 CYS A SG 1 ATOM 2202 N N . GLN A 1 280 ? -16.607 3.870 19.210 1.00 20.88 ? 282 GLN A N 1 ATOM 2203 C CA . GLN A 1 280 ? -17.228 2.796 19.988 1.00 20.41 ? 282 GLN A CA 1 ATOM 2204 C C . GLN A 1 280 ? -18.733 3.021 20.153 1.00 21.15 ? 282 GLN A C 1 ATOM 2205 O O . GLN A 1 280 ? -19.163 4.114 20.527 1.00 21.61 ? 282 GLN A O 1 ATOM 2206 C CB . GLN A 1 280 ? -16.609 2.725 21.390 1.00 20.53 ? 282 GLN A CB 1 ATOM 2207 C CG . GLN A 1 280 ? -17.067 1.538 22.224 1.00 19.72 ? 282 GLN A CG 1 ATOM 2208 C CD . GLN A 1 280 ? -16.618 0.204 21.614 1.00 19.96 ? 282 GLN A CD 1 ATOM 2209 O OE1 . GLN A 1 280 ? -15.432 -0.034 21.452 1.00 20.30 ? 282 GLN A OE1 1 ATOM 2210 N NE2 . GLN A 1 280 ? -17.580 -0.645 21.250 1.00 19.61 ? 282 GLN A NE2 1 ATOM 2211 N N . THR A 1 281 ? -19.528 1.989 19.864 1.00 21.90 ? 283 THR A N 1 ATOM 2212 C CA . THR A 1 281 ? -20.942 1.982 20.252 1.00 22.63 ? 283 THR A CA 1 ATOM 2213 C C . THR A 1 281 ? -21.222 0.907 21.320 1.00 23.45 ? 283 THR A C 1 ATOM 2214 O O . THR A 1 281 ? -20.409 0.010 21.524 1.00 23.47 ? 283 THR A O 1 ATOM 2215 C CB . THR A 1 281 ? -21.890 1.774 19.049 1.00 22.87 ? 283 THR A CB 1 ATOM 2216 O OG1 . THR A 1 281 ? -22.167 0.382 18.875 1.00 23.90 ? 283 THR A OG1 1 ATOM 2217 C CG2 . THR A 1 281 ? -21.311 2.369 17.771 1.00 23.91 ? 283 THR A CG2 1 ATOM 2218 N N . PRO A 1 282 ? -22.386 0.979 22.004 1.00 24.20 ? 284 PRO A N 1 ATOM 2219 C CA . PRO A 1 282 ? -22.710 -0.094 22.968 1.00 25.45 ? 284 PRO A CA 1 ATOM 2220 C C . PRO A 1 282 ? -22.872 -1.484 22.359 1.00 26.51 ? 284 PRO A C 1 ATOM 2221 O O . PRO A 1 282 ? -22.773 -2.490 23.077 1.00 28.05 ? 284 PRO A O 1 ATOM 2222 C CB . PRO A 1 282 ? -24.028 0.387 23.614 1.00 24.86 ? 284 PRO A CB 1 ATOM 2223 C CG . PRO A 1 282 ? -24.072 1.863 23.349 1.00 24.72 ? 284 PRO A CG 1 ATOM 2224 C CD . PRO A 1 282 ? -23.420 2.027 21.987 1.00 24.47 ? 284 PRO A CD 1 ATOM 2225 N N . LEU A 1 283 ? -23.115 -1.555 21.049 1.00 26.02 ? 285 LEU A N 1 ATOM 2226 C CA . LEU A 1 283 ? -23.263 -2.827 20.355 1.00 26.06 ? 285 LEU A CA 1 ATOM 2227 C C . LEU A 1 283 ? -21.940 -3.382 19.833 1.00 25.10 ? 285 LEU A C 1 ATOM 2228 O O . LEU A 1 283 ? -21.840 -4.567 19.537 1.00 27.03 ? 285 LEU A O 1 ATOM 2229 C CB . LEU A 1 283 ? -24.255 -2.680 19.192 1.00 25.85 ? 285 LEU A CB 1 ATOM 2230 C CG . LEU A 1 283 ? -25.673 -2.212 19.524 1.00 27.47 ? 285 LEU A CG 1 ATOM 2231 C CD1 . LEU A 1 283 ? -26.507 -2.161 18.228 1.00 28.33 ? 285 LEU A CD1 1 ATOM 2232 C CD2 . LEU A 1 283 ? -26.329 -3.139 20.532 1.00 28.82 ? 285 LEU A CD2 1 ATOM 2233 N N . GLY A 1 284 ? -20.930 -2.519 19.715 1.00 24.03 ? 286 GLY A N 1 ATOM 2234 C CA . GLY A 1 284 ? -19.678 -2.862 19.060 1.00 22.99 ? 286 GLY A CA 1 ATOM 2235 C C . GLY A 1 284 ? -19.018 -1.641 18.427 1.00 20.94 ? 286 GLY A C 1 ATOM 2236 O O . GLY A 1 284 ? -19.633 -0.569 18.327 1.00 20.83 ? 286 GLY A O 1 ATOM 2237 N N . ALA A 1 285 ? -17.775 -1.820 17.986 1.00 21.29 ? 287 ALA A N 1 ATOM 2238 C CA . ALA A 1 285 ? -16.977 -0.747 17.411 1.00 21.14 ? 287 ALA A CA 1 ATOM 2239 C C . ALA A 1 285 ? -17.241 -0.617 15.906 1.00 22.23 ? 287 ALA A C 1 ATOM 2240 O O . ALA A 1 285 ? -17.503 -1.613 15.218 1.00 22.75 ? 287 ALA A O 1 ATOM 2241 C CB . ALA A 1 285 ? -15.483 -0.988 17.675 1.00 22.91 ? 287 ALA A CB 1 ATOM 2242 N N . ILE A 1 286 ? -17.159 0.614 15.414 1.00 21.80 ? 288 ILE A N 1 ATOM 2243 C CA . ILE A 1 286 ? -17.280 0.913 13.989 1.00 22.53 ? 288 ILE A CA 1 ATOM 2244 C C . ILE A 1 286 ? -15.938 1.322 13.387 1.00 23.26 ? 288 ILE A C 1 ATOM 2245 O O . ILE A 1 286 ? -15.194 2.124 13.956 1.00 23.37 ? 288 ILE A O 1 ATOM 2246 C CB . ILE A 1 286 ? -18.298 2.063 13.774 1.00 22.29 ? 288 ILE A CB 1 ATOM 2247 C CG1 . ILE A 1 286 ? -19.706 1.613 14.157 1.00 22.41 ? 288 ILE A CG1 1 ATOM 2248 C CG2 . ILE A 1 286 ? -18.267 2.598 12.351 1.00 23.41 ? 288 ILE A CG2 1 ATOM 2249 C CD1 . ILE A 1 286 ? -20.712 2.780 14.152 1.00 23.61 ? 288 ILE A CD1 1 ATOM 2250 N N . ASN A 1 287 ? -15.644 0.777 12.209 1.00 24.50 ? 289 ASN A N 1 ATOM 2251 C CA . ASN A 1 287 ? -14.462 1.115 11.444 1.00 25.93 ? 289 ASN A CA 1 ATOM 2252 C C . ASN A 1 287 ? -14.931 1.318 10.007 1.00 26.10 ? 289 ASN A C 1 ATOM 2253 O O . ASN A 1 287 ? -15.244 0.358 9.312 1.00 26.80 ? 289 ASN A O 1 ATOM 2254 C CB . ASN A 1 287 ? -13.452 -0.028 11.527 1.00 26.75 ? 289 ASN A CB 1 ATOM 2255 C CG . ASN A 1 287 ? -12.237 0.190 10.646 1.00 29.49 ? 289 ASN A CG 1 ATOM 2256 O OD1 . ASN A 1 287 ? -11.823 1.326 10.381 1.00 32.18 ? 289 ASN A OD1 1 ATOM 2257 N ND2 . ASN A 1 287 ? -11.646 -0.913 10.188 1.00 35.45 ? 289 ASN A ND2 1 ATOM 2258 N N . THR A 1 288 ? -15.029 2.579 9.619 1.00 26.29 ? 290 THR A N 1 ATOM 2259 C CA . THR A 1 288 ? -15.608 2.969 8.328 1.00 26.47 ? 290 THR A CA 1 ATOM 2260 C C . THR A 1 288 ? -15.126 4.346 7.893 1.00 27.46 ? 290 THR A C 1 ATOM 2261 O O . THR A 1 288 ? -14.751 5.179 8.729 1.00 27.90 ? 290 THR A O 1 ATOM 2262 C CB . THR A 1 288 ? -17.156 3.000 8.394 1.00 26.90 ? 290 THR A CB 1 ATOM 2263 O OG1 . THR A 1 288 ? -17.696 3.101 7.074 1.00 27.25 ? 290 THR A OG1 1 ATOM 2264 C CG2 . THR A 1 288 ? -17.647 4.185 9.220 1.00 25.70 ? 290 THR A CG2 1 ATOM 2265 N N . THR A 1 289 ? -15.132 4.563 6.577 1.00 29.10 ? 291 THR A N 1 ATOM 2266 C CA . THR A 1 289 ? -14.929 5.881 5.983 1.00 30.17 ? 291 THR A CA 1 ATOM 2267 C C . THR A 1 289 ? -16.264 6.514 5.569 1.00 29.83 ? 291 THR A C 1 ATOM 2268 O O . THR A 1 289 ? -16.300 7.650 5.077 1.00 30.41 ? 291 THR A O 1 ATOM 2269 C CB . THR A 1 289 ? -14.037 5.812 4.702 1.00 30.59 ? 291 THR A CB 1 ATOM 2270 O OG1 . THR A 1 289 ? -14.495 4.756 3.845 1.00 32.98 ? 291 THR A OG1 1 ATOM 2271 C CG2 . THR A 1 289 ? -12.579 5.565 5.057 1.00 32.61 ? 291 THR A CG2 1 ATOM 2272 N N . LEU A 1 290 ? -17.356 5.776 5.735 1.00 28.25 ? 292 LEU A N 1 ATOM 2273 C CA . LEU A 1 290 ? -18.655 6.278 5.292 1.00 27.43 ? 292 LEU A CA 1 ATOM 2274 C C . LEU A 1 290 ? -19.125 7.391 6.234 1.00 26.88 ? 292 LEU A C 1 ATOM 2275 O O . LEU A 1 290 ? -18.771 7.388 7.421 1.00 27.25 ? 292 LEU A O 1 ATOM 2276 C CB . LEU A 1 290 ? -19.672 5.131 5.169 1.00 26.54 ? 292 LEU A CB 1 ATOM 2277 C CG . LEU A 1 290 ? -19.339 4.041 4.129 1.00 26.73 ? 292 LEU A CG 1 ATOM 2278 C CD1 . LEU A 1 290 ? -20.434 2.981 4.083 1.00 25.35 ? 292 LEU A CD1 1 ATOM 2279 C CD2 . LEU A 1 290 ? -19.110 4.623 2.727 1.00 27.12 ? 292 LEU A CD2 1 ATOM 2280 N N . PRO A 1 291 ? -19.867 8.386 5.697 1.00 26.27 ? 293 PRO A N 1 ATOM 2281 C CA . PRO A 1 291 ? -20.341 9.544 6.476 1.00 25.76 ? 293 PRO A CA 1 ATOM 2282 C C . PRO A 1 291 ? -21.499 9.300 7.460 1.00 25.24 ? 293 PRO A C 1 ATOM 2283 O O . PRO A 1 291 ? -21.641 10.056 8.432 1.00 26.26 ? 293 PRO A O 1 ATOM 2284 C CB . PRO A 1 291 ? -20.766 10.543 5.389 1.00 25.66 ? 293 PRO A CB 1 ATOM 2285 C CG . PRO A 1 291 ? -21.145 9.687 4.219 1.00 25.38 ? 293 PRO A CG 1 ATOM 2286 C CD . PRO A 1 291 ? -20.230 8.496 4.263 1.00 26.75 ? 293 PRO A CD 1 ATOM 2287 N N . PHE A 1 292 ? -22.318 8.278 7.209 1.00 24.04 ? 294 PHE A N 1 ATOM 2288 C CA . PHE A 1 292 ? -23.460 7.948 8.081 1.00 23.16 ? 294 PHE A CA 1 ATOM 2289 C C . PHE A 1 292 ? -23.358 6.511 8.596 1.00 22.22 ? 294 PHE A C 1 ATOM 2290 O O . PHE A 1 292 ? -22.655 5.682 8.017 1.00 21.52 ? 294 PHE A O 1 ATOM 2291 C CB . PHE A 1 292 ? -24.797 8.106 7.341 1.00 23.63 ? 294 PHE A CB 1 ATOM 2292 C CG . PHE A 1 292 ? -25.042 9.483 6.826 1.00 25.02 ? 294 PHE A CG 1 ATOM 2293 C CD1 . PHE A 1 292 ? -25.506 10.477 7.676 1.00 27.89 ? 294 PHE A CD1 1 ATOM 2294 C CD2 . PHE A 1 292 ? -24.826 9.784 5.483 1.00 26.51 ? 294 PHE A CD2 1 ATOM 2295 C CE1 . PHE A 1 292 ? -25.748 11.764 7.204 1.00 29.02 ? 294 PHE A CE1 1 ATOM 2296 C CE2 . PHE A 1 292 ? -25.070 11.070 4.992 1.00 27.35 ? 294 PHE A CE2 1 ATOM 2297 C CZ . PHE A 1 292 ? -25.534 12.060 5.859 1.00 28.26 ? 294 PHE A CZ 1 ATOM 2298 N N . HIS A 1 293 ? -24.044 6.243 9.700 1.00 22.00 ? 295 HIS A N 1 ATOM 2299 C CA . HIS A 1 293 ? -24.214 4.876 10.189 1.00 21.57 ? 295 HIS A CA 1 ATOM 2300 C C . HIS A 1 293 ? -25.579 4.753 10.850 1.00 21.31 ? 295 HIS A C 1 ATOM 2301 O O . HIS A 1 293 ? -26.212 5.774 11.225 1.00 21.64 ? 295 HIS A O 1 ATOM 2302 C CB . HIS A 1 293 ? -23.079 4.473 11.149 1.00 20.59 ? 295 HIS A CB 1 ATOM 2303 C CG . HIS A 1 293 ? -23.227 5.049 12.526 1.00 22.32 ? 295 HIS A CG 1 ATOM 2304 N ND1 . HIS A 1 293 ? -23.851 4.384 13.561 1.00 22.55 ? 295 HIS A ND1 1 ATOM 2305 C CD2 . HIS A 1 293 ? -22.852 6.252 13.024 1.00 22.94 ? 295 HIS A CD2 1 ATOM 2306 C CE1 . HIS A 1 293 ? -23.845 5.146 14.642 1.00 21.36 ? 295 HIS A CE1 1 ATOM 2307 N NE2 . HIS A 1 293 ? -23.251 6.287 14.340 1.00 23.21 ? 295 HIS A NE2 1 ATOM 2308 N N . ASN A 1 294 ? -26.050 3.517 10.989 1.00 20.87 ? 296 ASN A N 1 ATOM 2309 C CA . ASN A 1 294 ? -27.309 3.275 11.668 1.00 22.00 ? 296 ASN A CA 1 ATOM 2310 C C . ASN A 1 294 ? -27.188 2.295 12.828 1.00 22.51 ? 296 ASN A C 1 ATOM 2311 O O . ASN A 1 294 ? -28.164 1.651 13.196 1.00 23.00 ? 296 ASN A O 1 ATOM 2312 C CB . ASN A 1 294 ? -28.391 2.803 10.674 1.00 21.12 ? 296 ASN A CB 1 ATOM 2313 C CG . ASN A 1 294 ? -28.104 1.432 10.086 1.00 22.98 ? 296 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 294 ? -27.069 0.828 10.346 1.00 22.02 ? 296 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 294 ? -29.035 0.943 9.267 1.00 23.67 ? 296 ASN A ND2 1 ATOM 2316 N N . VAL A 1 295 ? -25.994 2.198 13.401 1.00 22.83 ? 297 VAL A N 1 ATOM 2317 C CA . VAL A 1 295 ? -25.718 1.146 14.383 1.00 24.02 ? 297 VAL A CA 1 ATOM 2318 C C . VAL A 1 295 ? -26.381 1.403 15.736 1.00 24.49 ? 297 VAL A C 1 ATOM 2319 O O . VAL A 1 295 ? -27.132 0.563 16.236 1.00 25.75 ? 297 VAL A O 1 ATOM 2320 C CB . VAL A 1 295 ? -24.205 0.895 14.529 1.00 23.87 ? 297 VAL A CB 1 ATOM 2321 C CG1 . VAL A 1 295 ? -23.937 -0.033 15.704 1.00 24.56 ? 297 VAL A CG1 1 ATOM 2322 C CG2 . VAL A 1 295 ? -23.662 0.296 13.217 1.00 23.50 ? 297 VAL A CG2 1 ATOM 2323 N N . HIS A 1 296 ? -26.142 2.584 16.292 1.00 24.54 ? 298 HIS A N 1 ATOM 2324 C CA . HIS A 1 296 ? -26.685 2.964 17.601 1.00 25.32 ? 298 HIS A CA 1 ATOM 2325 C C . HIS A 1 296 ? -26.486 4.468 17.770 1.00 25.55 ? 298 HIS A C 1 ATOM 2326 O O . HIS A 1 296 ? -25.473 5.006 17.334 1.00 26.43 ? 298 HIS A O 1 ATOM 2327 C CB . HIS A 1 296 ? -25.939 2.196 18.716 1.00 25.59 ? 298 HIS A CB 1 ATOM 2328 C CG . HIS A 1 296 ? -26.614 2.255 20.058 1.00 26.54 ? 298 HIS A CG 1 ATOM 2329 N ND1 . HIS A 1 296 ? -26.610 3.385 20.850 1.00 29.74 ? 298 HIS A ND1 1 ATOM 2330 C CD2 . HIS A 1 296 ? -27.290 1.313 20.753 1.00 29.73 ? 298 HIS A CD2 1 ATOM 2331 C CE1 . HIS A 1 296 ? -27.269 3.141 21.969 1.00 29.72 ? 298 HIS A CE1 1 ATOM 2332 N NE2 . HIS A 1 296 ? -27.677 1.887 21.942 1.00 27.78 ? 298 HIS A NE2 1 ATOM 2333 N N . PRO A 1 297 ? -27.449 5.178 18.392 1.00 26.63 ? 299 PRO A N 1 ATOM 2334 C CA . PRO A 1 297 ? -27.257 6.631 18.550 1.00 26.93 ? 299 PRO A CA 1 ATOM 2335 C C . PRO A 1 297 ? -26.205 7.078 19.585 1.00 27.45 ? 299 PRO A C 1 ATOM 2336 O O . PRO A 1 297 ? -25.768 8.224 19.526 1.00 27.77 ? 299 PRO A O 1 ATOM 2337 C CB . PRO A 1 297 ? -28.645 7.120 18.983 1.00 27.76 ? 299 PRO A CB 1 ATOM 2338 C CG . PRO A 1 297 ? -29.240 5.977 19.638 1.00 26.76 ? 299 PRO A CG 1 ATOM 2339 C CD . PRO A 1 297 ? -28.763 4.752 18.914 1.00 26.86 ? 299 PRO A CD 1 ATOM 2340 N N . LEU A 1 298 ? -25.804 6.197 20.507 1.00 28.53 ? 300 LEU A N 1 ATOM 2341 C CA . LEU A 1 298 ? -24.891 6.612 21.580 1.00 29.31 ? 300 LEU A CA 1 ATOM 2342 C C . LEU A 1 298 ? -23.489 6.120 21.318 1.00 29.28 ? 300 LEU A C 1 ATOM 2343 O O . LEU A 1 298 ? -23.092 5.056 21.788 1.00 32.08 ? 300 LEU A O 1 ATOM 2344 C CB . LEU A 1 298 ? -25.373 6.149 22.960 1.00 29.87 ? 300 LEU A CB 1 ATOM 2345 C CG . LEU A 1 298 ? -26.698 6.757 23.455 1.00 31.35 ? 300 LEU A CG 1 ATOM 2346 C CD1 . LEU A 1 298 ? -27.064 6.183 24.800 1.00 33.42 ? 300 LEU A CD1 1 ATOM 2347 C CD2 . LEU A 1 298 ? -26.627 8.287 23.518 1.00 33.10 ? 300 LEU A CD2 1 ATOM 2348 N N . THR A 1 299 ? -22.725 6.935 20.621 1.00 28.75 ? 301 THR A N 1 ATOM 2349 C CA . THR A 1 299 ? -21.378 6.566 20.240 1.00 27.83 ? 301 THR A CA 1 ATOM 2350 C C . THR A 1 299 ? -20.363 7.454 20.948 1.00 27.73 ? 301 THR A C 1 ATOM 2351 O O . THR A 1 299 ? -20.660 8.597 21.328 1.00 28.82 ? 301 THR A O 1 ATOM 2352 C CB . THR A 1 299 ? -21.174 6.671 18.711 1.00 27.85 ? 301 THR A CB 1 ATOM 2353 O OG1 . THR A 1 299 ? -21.200 8.047 18.317 1.00 28.64 ? 301 THR A OG1 1 ATOM 2354 C CG2 . THR A 1 299 ? -22.258 5.902 17.958 1.00 27.15 ? 301 THR A CG2 1 ATOM 2355 N N . ILE A 1 300 ? -19.162 6.918 21.134 1.00 27.16 ? 302 ILE A N 1 ATOM 2356 C CA A ILE A 1 300 ? -18.056 7.676 21.684 0.50 26.84 ? 302 ILE A CA 1 ATOM 2357 C CA B ILE A 1 300 ? -18.053 7.716 21.641 0.50 27.19 ? 302 ILE A CA 1 ATOM 2358 C C . ILE A 1 300 ? -16.862 7.575 20.718 1.00 26.92 ? 302 ILE A C 1 ATOM 2359 O O . ILE A 1 300 ? -16.561 6.477 20.237 1.00 25.80 ? 302 ILE A O 1 ATOM 2360 C CB A ILE A 1 300 ? -17.726 7.162 23.125 0.50 27.01 ? 302 ILE A CB 1 ATOM 2361 C CB B ILE A 1 300 ? -17.650 7.362 23.103 0.50 27.56 ? 302 ILE A CB 1 ATOM 2362 C CG1 A ILE A 1 300 ? -18.990 7.241 24.012 0.50 26.26 ? 302 ILE A CG1 1 ATOM 2363 C CG1 B ILE A 1 300 ? -16.524 8.294 23.573 0.50 28.53 ? 302 ILE A CG1 1 ATOM 2364 C CG2 A ILE A 1 300 ? -16.561 7.933 23.732 0.50 27.20 ? 302 ILE A CG2 1 ATOM 2365 C CG2 B ILE A 1 300 ? -17.236 5.900 23.217 0.50 27.50 ? 302 ILE A CG2 1 ATOM 2366 C CD1 A ILE A 1 300 ? -18.886 6.584 25.397 0.50 26.73 ? 302 ILE A CD1 1 ATOM 2367 C CD1 B ILE A 1 300 ? -16.359 8.384 25.063 0.50 31.16 ? 302 ILE A CD1 1 ATOM 2368 N N . GLY A 1 301 ? -16.211 8.711 20.435 1.00 27.39 ? 303 GLY A N 1 ATOM 2369 C CA . GLY A 1 301 ? -15.037 8.777 19.575 1.00 28.27 ? 303 GLY A CA 1 ATOM 2370 C C . GLY A 1 301 ? -15.258 9.660 18.352 1.00 29.63 ? 303 GLY A C 1 ATOM 2371 O O . GLY A 1 301 ? -16.079 10.575 18.379 1.00 30.68 ? 303 GLY A O 1 ATOM 2372 N N . GLU A 1 302 ? -14.498 9.379 17.302 1.00 29.71 ? 304 GLU A N 1 ATOM 2373 C CA . GLU A 1 302 ? -14.600 10.086 16.023 1.00 31.05 ? 304 GLU A CA 1 ATOM 2374 C C . GLU A 1 302 ? -15.483 9.196 15.155 1.00 30.44 ? 304 GLU A C 1 ATOM 2375 O O . GLU A 1 302 ? -15.040 8.179 14.629 1.00 30.42 ? 304 GLU A O 1 ATOM 2376 C CB . GLU A 1 302 ? -13.209 10.275 15.432 1.00 31.68 ? 304 GLU A CB 1 ATOM 2377 C CG . GLU A 1 302 ? -12.216 10.898 16.436 1.00 36.28 ? 304 GLU A CG 1 ATOM 2378 C CD . GLU A 1 302 ? -10.771 10.813 15.990 1.00 42.06 ? 304 GLU A CD 1 ATOM 2379 O OE1 . GLU A 1 302 ? -10.067 9.849 16.390 1.00 43.06 ? 304 GLU A OE1 1 ATOM 2380 O OE2 . GLU A 1 302 ? -10.338 11.718 15.235 1.00 46.07 ? 304 GLU A OE2 1 ATOM 2381 N N . CYS A 1 303 ? -16.757 9.561 15.075 1.00 30.41 ? 305 CYS A N 1 ATOM 2382 C CA . CYS A 1 303 ? -17.777 8.674 14.514 1.00 31.15 ? 305 CYS A CA 1 ATOM 2383 C C . CYS A 1 303 ? -18.460 9.283 13.297 1.00 30.01 ? 305 CYS A C 1 ATOM 2384 O O . CYS A 1 303 ? -18.377 10.498 13.094 1.00 30.36 ? 305 CYS A O 1 ATOM 2385 C CB . CYS A 1 303 ? -18.821 8.327 15.581 1.00 30.58 ? 305 CYS A CB 1 ATOM 2386 S SG . CYS A 1 303 ? -18.171 7.221 16.921 1.00 37.52 ? 305 CYS A SG 1 ATOM 2387 N N . PRO A 1 304 ? -19.123 8.441 12.471 1.00 28.84 ? 306 PRO A N 1 ATOM 2388 C CA . PRO A 1 304 ? -19.999 8.984 11.435 1.00 27.99 ? 306 PRO A CA 1 ATOM 2389 C C . PRO A 1 304 ? -21.272 9.504 12.085 1.00 27.93 ? 306 PRO A C 1 ATOM 2390 O O . PRO A 1 304 ? -21.495 9.295 13.280 1.00 27.42 ? 306 PRO A O 1 ATOM 2391 C CB . PRO A 1 304 ? -20.328 7.760 10.562 1.00 28.08 ? 306 PRO A CB 1 ATOM 2392 C CG . PRO A 1 304 ? -19.440 6.658 11.029 1.00 28.15 ? 306 PRO A CG 1 ATOM 2393 C CD . PRO A 1 304 ? -19.120 6.968 12.455 1.00 28.48 ? 306 PRO A CD 1 ATOM 2394 N N . LYS A 1 305 ? -22.113 10.172 11.306 1.00 27.75 ? 307 LYS A N 1 ATOM 2395 C CA A LYS A 1 305 ? -23.359 10.686 11.848 1.00 28.48 ? 307 LYS A CA 1 ATOM 2396 C C . LYS A 1 305 ? -24.435 9.613 11.840 1.00 27.87 ? 307 LYS A C 1 ATOM 2397 O O . LYS A 1 305 ? -24.619 8.904 10.845 1.00 27.28 ? 307 LYS A O 1 ATOM 2398 C CB A LYS A 1 305 ? -23.809 11.929 11.079 1.00 29.73 ? 307 LYS A CB 1 ATOM 2399 C CG A LYS A 1 305 ? -22.774 13.078 11.104 1.00 32.25 ? 307 LYS A CG 1 ATOM 2400 C CD A LYS A 1 305 ? -22.546 13.616 12.536 1.00 34.97 ? 307 LYS A CD 1 ATOM 2401 C CE A LYS A 1 305 ? -21.202 14.341 12.694 1.00 36.11 ? 307 LYS A CE 1 ATOM 2402 N NZ A LYS A 1 305 ? -20.022 13.406 12.639 1.00 39.47 ? 307 LYS A NZ 1 ATOM 2403 N N . TYR A 1 306 ? -25.144 9.490 12.958 1.00 27.11 ? 308 TYR A N 1 ATOM 2404 C CA . TYR A 1 306 ? -26.200 8.497 13.095 1.00 25.88 ? 308 TYR A CA 1 ATOM 2405 C C . TYR A 1 306 ? -27.531 8.924 12.454 1.00 26.48 ? 308 TYR A C 1 ATOM 2406 O O . TYR A 1 306 ? -28.035 10.029 12.695 1.00 26.94 ? 308 TYR A O 1 ATOM 2407 C CB . TYR A 1 306 ? -26.419 8.149 14.572 1.00 25.88 ? 308 TYR A CB 1 ATOM 2408 C CG . TYR A 1 306 ? -27.547 7.173 14.804 1.00 24.72 ? 308 TYR A CG 1 ATOM 2409 C CD1 . TYR A 1 306 ? -27.376 5.807 14.581 1.00 20.78 ? 308 TYR A CD1 1 ATOM 2410 C CD2 . TYR A 1 306 ? -28.794 7.617 15.245 1.00 24.45 ? 308 TYR A CD2 1 ATOM 2411 C CE1 . TYR A 1 306 ? -28.409 4.911 14.774 1.00 21.21 ? 308 TYR A CE1 1 ATOM 2412 C CE2 . TYR A 1 306 ? -29.833 6.727 15.453 1.00 25.33 ? 308 TYR A CE2 1 ATOM 2413 C CZ . TYR A 1 306 ? -29.650 5.383 15.215 1.00 23.88 ? 308 TYR A CZ 1 ATOM 2414 O OH . TYR A 1 306 ? -30.689 4.508 15.418 1.00 27.37 ? 308 TYR A OH 1 ATOM 2415 N N . VAL A 1 307 ? -28.100 8.020 11.662 1.00 25.51 ? 309 VAL A N 1 ATOM 2416 C CA . VAL A 1 307 ? -29.477 8.157 11.152 1.00 25.91 ? 309 VAL A CA 1 ATOM 2417 C C . VAL A 1 307 ? -30.222 6.839 11.343 1.00 25.71 ? 309 VAL A C 1 ATOM 2418 O O . VAL A 1 307 ? -29.589 5.778 11.355 1.00 25.40 ? 309 VAL A O 1 ATOM 2419 C CB . VAL A 1 307 ? -29.521 8.566 9.643 1.00 25.71 ? 309 VAL A CB 1 ATOM 2420 C CG1 . VAL A 1 307 ? -28.900 9.937 9.427 1.00 26.75 ? 309 VAL A CG1 1 ATOM 2421 C CG2 . VAL A 1 307 ? -28.831 7.509 8.758 1.00 26.81 ? 309 VAL A CG2 1 ATOM 2422 N N . LYS A 1 308 ? -31.548 6.907 11.486 1.00 27.00 ? 310 LYS A N 1 ATOM 2423 C CA . LYS A 1 308 ? -32.418 5.722 11.608 1.00 28.68 ? 310 LYS A CA 1 ATOM 2424 C C . LYS A 1 308 ? -32.593 4.928 10.296 1.00 28.37 ? 310 LYS A C 1 ATOM 2425 O O . LYS A 1 308 ? -33.227 3.860 10.286 1.00 29.30 ? 310 LYS A O 1 ATOM 2426 C CB . LYS A 1 308 ? -33.826 6.109 12.096 1.00 29.12 ? 310 LYS A CB 1 ATOM 2427 C CG . LYS A 1 308 ? -33.988 6.454 13.572 1.00 30.88 ? 310 LYS A CG 1 ATOM 2428 C CD . LYS A 1 308 ? -35.471 6.825 13.785 1.00 31.68 ? 310 LYS A CD 1 ATOM 2429 C CE . LYS A 1 308 ? -35.947 6.771 15.241 1.00 36.08 ? 310 LYS A CE 1 ATOM 2430 N NZ . LYS A 1 308 ? -35.789 8.081 15.969 1.00 37.90 ? 310 LYS A NZ 1 ATOM 2431 N N . SER A 1 309 ? -32.054 5.443 9.197 1.00 27.68 ? 311 SER A N 1 ATOM 2432 C CA . SER A 1 309 ? -32.286 4.849 7.874 1.00 27.26 ? 311 SER A CA 1 ATOM 2433 C C . SER A 1 309 ? -31.876 3.379 7.783 1.00 26.93 ? 311 SER A C 1 ATOM 2434 O O . SER A 1 309 ? -30.890 2.968 8.393 1.00 25.75 ? 311 SER A O 1 ATOM 2435 C CB . SER A 1 309 ? -31.519 5.641 6.813 1.00 27.27 ? 311 SER A CB 1 ATOM 2436 O OG . SER A 1 309 ? -31.762 7.034 6.932 1.00 27.84 ? 311 SER A OG 1 ATOM 2437 N N . GLU A 1 310 ? -32.617 2.607 6.985 1.00 27.18 ? 312 GLU A N 1 ATOM 2438 C CA . GLU A 1 310 ? -32.227 1.242 6.618 1.00 27.96 ? 312 GLU A CA 1 ATOM 2439 C C . GLU A 1 310 ? -31.280 1.239 5.402 1.00 26.72 ? 312 GLU A C 1 ATOM 2440 O O . GLU A 1 310 ? -30.477 0.325 5.214 1.00 26.15 ? 312 GLU A O 1 ATOM 2441 C CB . GLU A 1 310 ? -33.474 0.414 6.294 1.00 28.12 ? 312 GLU A CB 1 ATOM 2442 C CG . GLU A 1 310 ? -34.358 0.092 7.503 1.00 31.62 ? 312 GLU A CG 1 ATOM 2443 C CD . GLU A 1 310 ? -35.553 -0.806 7.153 1.00 32.09 ? 312 GLU A CD 1 ATOM 2444 O OE1 . GLU A 1 310 ? -35.497 -1.545 6.136 1.00 37.28 ? 312 GLU A OE1 1 ATOM 2445 O OE2 . GLU A 1 310 ? -36.556 -0.778 7.910 1.00 38.11 ? 312 GLU A OE2 1 ATOM 2446 N N . LYS A 1 311 ? -31.393 2.277 4.582 1.00 25.64 ? 313 LYS A N 1 ATOM 2447 C CA . LYS A 1 311 ? -30.564 2.421 3.384 1.00 25.07 ? 313 LYS A CA 1 ATOM 2448 C C . LYS A 1 311 ? -30.366 3.886 3.012 1.00 23.63 ? 313 LYS A C 1 ATOM 2449 O O . LYS A 1 311 ? -31.276 4.714 3.143 1.00 22.61 ? 313 LYS A O 1 ATOM 2450 C CB . LYS A 1 311 ? -31.160 1.648 2.194 1.00 25.16 ? 313 LYS A CB 1 ATOM 2451 C CG . LYS A 1 311 ? -32.611 1.994 1.881 1.00 26.69 ? 313 LYS A CG 1 ATOM 2452 C CD . LYS A 1 311 ? -33.127 1.294 0.624 1.00 26.52 ? 313 LYS A CD 1 ATOM 2453 C CE . LYS A 1 311 ? -34.504 1.834 0.272 1.00 27.77 ? 313 LYS A CE 1 ATOM 2454 N NZ . LYS A 1 311 ? -35.251 0.943 -0.659 1.00 30.68 ? 313 LYS A NZ 1 ATOM 2455 N N . LEU A 1 312 ? -29.159 4.187 2.548 1.00 22.36 ? 314 LEU A N 1 ATOM 2456 C CA . LEU A 1 312 ? -28.843 5.485 1.969 1.00 22.70 ? 314 LEU A CA 1 ATOM 2457 C C . LEU A 1 312 ? -27.866 5.267 0.827 1.00 22.22 ? 314 LEU A C 1 ATOM 2458 O O . LEU A 1 312 ? -26.658 5.097 1.042 1.00 22.31 ? 314 LEU A O 1 ATOM 2459 C CB . LEU A 1 312 ? -28.239 6.428 3.007 1.00 22.42 ? 314 LEU A CB 1 ATOM 2460 C CG . LEU A 1 312 ? -29.165 7.086 4.024 1.00 24.60 ? 314 LEU A CG 1 ATOM 2461 C CD1 . LEU A 1 312 ? -28.267 7.815 5.001 1.00 25.35 ? 314 LEU A CD1 1 ATOM 2462 C CD2 . LEU A 1 312 ? -30.191 8.040 3.391 1.00 24.45 ? 314 LEU A CD2 1 ATOM 2463 N N . VAL A 1 313 ? -28.404 5.270 -0.394 1.00 21.66 ? 315 VAL A N 1 ATOM 2464 C CA . VAL A 1 313 ? -27.604 4.982 -1.574 1.00 21.38 ? 315 VAL A CA 1 ATOM 2465 C C . VAL A 1 313 ? -27.803 6.095 -2.578 1.00 20.52 ? 315 VAL A C 1 ATOM 2466 O O . VAL A 1 313 ? -28.930 6.396 -2.980 1.00 19.61 ? 315 VAL A O 1 ATOM 2467 C CB . VAL A 1 313 ? -27.985 3.635 -2.211 1.00 21.29 ? 315 VAL A CB 1 ATOM 2468 C CG1 . VAL A 1 313 ? -27.113 3.344 -3.432 1.00 22.09 ? 315 VAL A CG1 1 ATOM 2469 C CG2 . VAL A 1 313 ? -27.850 2.519 -1.198 1.00 21.75 ? 315 VAL A CG2 1 ATOM 2470 N N . LEU A 1 314 ? -26.697 6.720 -2.951 1.00 20.13 ? 316 LEU A N 1 ATOM 2471 C CA . LEU A 1 314 ? -26.724 7.791 -3.932 1.00 20.02 ? 316 LEU A CA 1 ATOM 2472 C C . LEU A 1 314 ? -26.439 7.242 -5.317 1.00 19.56 ? 316 LEU A C 1 ATOM 2473 O O . LEU A 1 314 ? -25.463 6.509 -5.519 1.00 20.18 ? 316 LEU A O 1 ATOM 2474 C CB . LEU A 1 314 ? -25.662 8.834 -3.606 1.00 20.42 ? 316 LEU A CB 1 ATOM 2475 C CG . LEU A 1 314 ? -26.052 9.898 -2.581 1.00 22.28 ? 316 LEU A CG 1 ATOM 2476 C CD1 . LEU A 1 314 ? -24.762 10.498 -2.044 1.00 25.11 ? 316 LEU A CD1 1 ATOM 2477 C CD2 . LEU A 1 314 ? -26.967 10.985 -3.153 1.00 20.84 ? 316 LEU A CD2 1 ATOM 2478 N N . ALA A 1 315 ? -27.285 7.607 -6.275 1.00 19.41 ? 317 ALA A N 1 ATOM 2479 C CA . ALA A 1 315 ? -26.973 7.324 -7.665 1.00 18.64 ? 317 ALA A CA 1 ATOM 2480 C C . ALA A 1 315 ? -25.777 8.184 -8.033 1.00 18.43 ? 317 ALA A C 1 ATOM 2481 O O . ALA A 1 315 ? -25.722 9.371 -7.682 1.00 19.02 ? 317 ALA A O 1 ATOM 2482 C CB . ALA A 1 315 ? -28.153 7.654 -8.544 1.00 18.36 ? 317 ALA A CB 1 ATOM 2483 N N . THR A 1 316 ? -24.834 7.602 -8.767 1.00 17.44 ? 318 THR A N 1 ATOM 2484 C CA . THR A 1 316 ? -23.764 8.388 -9.361 1.00 16.53 ? 318 THR A CA 1 ATOM 2485 C C . THR A 1 316 ? -23.776 8.217 -10.878 1.00 15.71 ? 318 THR A C 1 ATOM 2486 O O . THR A 1 316 ? -23.629 9.193 -11.608 1.00 16.31 ? 318 THR A O 1 ATOM 2487 C CB . THR A 1 316 ? -22.379 8.035 -8.802 1.00 16.91 ? 318 THR A CB 1 ATOM 2488 O OG1 . THR A 1 316 ? -22.113 6.643 -8.985 1.00 18.25 ? 318 THR A OG1 1 ATOM 2489 C CG2 . THR A 1 316 ? -22.309 8.350 -7.298 1.00 16.63 ? 318 THR A CG2 1 ATOM 2490 N N . GLY A 1 317 ? -23.974 6.980 -11.319 1.00 15.59 ? 319 GLY A N 1 ATOM 2491 C CA . GLY A 1 317 ? -24.121 6.678 -12.757 1.00 15.08 ? 319 GLY A CA 1 ATOM 2492 C C . GLY A 1 317 ? -25.520 6.946 -13.276 1.00 15.05 ? 319 GLY A C 1 ATOM 2493 O O . GLY A 1 317 ? -26.311 7.641 -12.633 1.00 15.44 ? 319 GLY A O 1 ATOM 2494 N N . LEU A 1 318 ? -25.833 6.410 -14.457 1.00 14.44 ? 320 LEU A N 1 ATOM 2495 C CA . LEU A 1 318 ? -27.115 6.683 -15.103 1.00 14.27 ? 320 LEU A CA 1 ATOM 2496 C C . LEU A 1 318 ? -28.049 5.487 -15.004 1.00 13.47 ? 320 LEU A C 1 ATOM 2497 O O . LEU A 1 318 ? -27.654 4.430 -14.531 1.00 12.83 ? 320 LEU A O 1 ATOM 2498 C CB . LEU A 1 318 ? -26.924 7.100 -16.569 1.00 15.14 ? 320 LEU A CB 1 ATOM 2499 C CG . LEU A 1 318 ? -26.095 6.155 -17.437 1.00 16.02 ? 320 LEU A CG 1 ATOM 2500 C CD1 . LEU A 1 318 ? -26.670 6.071 -18.824 1.00 17.62 ? 320 LEU A CD1 1 ATOM 2501 C CD2 . LEU A 1 318 ? -24.652 6.598 -17.476 1.00 18.43 ? 320 LEU A CD2 1 ATOM 2502 N N . ARG A 1 319 ? -29.299 5.682 -15.406 1.00 13.77 ? 321 ARG A N 1 ATOM 2503 C CA . ARG A 1 319 ? -30.254 4.580 -15.485 1.00 15.59 ? 321 ARG A CA 1 ATOM 2504 C C . ARG A 1 319 ? -29.645 3.464 -16.350 1.00 16.15 ? 321 ARG A C 1 ATOM 2505 O O . ARG A 1 319 ? -29.191 3.722 -17.475 1.00 15.58 ? 321 ARG A O 1 ATOM 2506 C CB . ARG A 1 319 ? -31.584 5.072 -16.046 1.00 16.45 ? 321 ARG A CB 1 ATOM 2507 C CG . ARG A 1 319 ? -32.668 4.014 -16.126 1.00 19.17 ? 321 ARG A CG 1 ATOM 2508 C CD . ARG A 1 319 ? -33.929 4.573 -16.739 1.00 22.47 ? 321 ARG A CD 1 ATOM 2509 N NE . ARG A 1 319 ? -34.310 5.830 -16.099 1.00 26.11 ? 321 ARG A NE 1 ATOM 2510 C CZ . ARG A 1 319 ? -35.171 5.937 -15.090 1.00 26.25 ? 321 ARG A CZ 1 ATOM 2511 N NH1 . ARG A 1 319 ? -35.777 4.859 -14.611 1.00 25.39 ? 321 ARG A NH1 1 ATOM 2512 N NH2 . ARG A 1 319 ? -35.442 7.135 -14.586 1.00 26.23 ? 321 ARG A NH2 1 ATOM 2513 N N . ASN A 1 320 ? -29.590 2.253 -15.796 1.00 17.25 ? 322 ASN A N 1 ATOM 2514 C CA . ASN A 1 320 ? -29.016 1.097 -16.488 1.00 18.90 ? 322 ASN A CA 1 ATOM 2515 C C . ASN A 1 320 ? -30.097 0.470 -17.332 1.00 20.89 ? 322 ASN A C 1 ATOM 2516 O O . ASN A 1 320 ? -31.037 -0.141 -16.811 1.00 21.49 ? 322 ASN A O 1 ATOM 2517 C CB . ASN A 1 320 ? -28.421 0.080 -15.499 1.00 19.39 ? 322 ASN A CB 1 ATOM 2518 C CG . ASN A 1 320 ? -27.489 -0.922 -16.174 1.00 19.78 ? 322 ASN A CG 1 ATOM 2519 O OD1 . ASN A 1 320 ? -27.024 -0.706 -17.291 1.00 18.64 ? 322 ASN A OD1 1 ATOM 2520 N ND2 . ASN A 1 320 ? -27.205 -2.022 -15.485 1.00 21.86 ? 322 ASN A ND2 1 ATOM 2521 N N . VAL A 1 321 ? -29.962 0.650 -18.641 1.00 21.84 ? 323 VAL A N 1 ATOM 2522 C CA . VAL A 1 321 ? -31.020 0.295 -19.583 1.00 23.38 ? 323 VAL A CA 1 ATOM 2523 C C . VAL A 1 321 ? -30.604 -0.883 -20.463 1.00 25.36 ? 323 VAL A C 1 ATOM 2524 O O . VAL A 1 321 ? -29.657 -0.761 -21.255 1.00 26.08 ? 323 VAL A O 1 ATOM 2525 C CB . VAL A 1 321 ? -31.439 1.503 -20.481 1.00 23.18 ? 323 VAL A CB 1 ATOM 2526 C CG1 . VAL A 1 321 ? -32.641 1.143 -21.322 1.00 22.83 ? 323 VAL A CG1 1 ATOM 2527 C CG2 . VAL A 1 321 ? -31.738 2.741 -19.637 1.00 22.74 ? 323 VAL A CG2 1 ATOM 2528 N N . PRO A 1 322 ? -31.323 -2.020 -20.336 1.00 26.82 ? 324 PRO A N 1 ATOM 2529 C CA . PRO A 1 322 ? -31.260 -3.198 -21.216 1.00 27.64 ? 324 PRO A CA 1 ATOM 2530 C C . PRO A 1 322 ? -30.868 -2.879 -22.659 1.00 28.30 ? 324 PRO A C 1 ATOM 2531 O O . PRO A 1 322 ? -31.448 -1.976 -23.284 1.00 28.99 ? 324 PRO A O 1 ATOM 2532 C CB . PRO A 1 322 ? -32.706 -3.719 -21.191 1.00 27.66 ? 324 PRO A CB 1 ATOM 2533 C CG . PRO A 1 322 ? -33.336 -3.105 -19.917 1.00 27.62 ? 324 PRO A CG 1 ATOM 2534 C CD . PRO A 1 322 ? -32.305 -2.229 -19.260 1.00 26.85 ? 324 PRO A CD 1 ATOM 2535 N N . GLN A 1 323 ? -29.897 -3.631 -23.176 0.50 28.77 ? 325 GLN A N 1 ATOM 2536 C CA . GLN A 1 323 ? -29.438 -3.498 -24.563 0.50 29.25 ? 325 GLN A CA 1 ATOM 2537 C C . GLN A 1 323 ? -30.551 -3.752 -25.585 0.50 29.37 ? 325 GLN A C 1 ATOM 2538 O O . GLN A 1 323 ? -31.584 -4.339 -25.264 0.50 29.51 ? 325 GLN A O 1 ATOM 2539 C CB . GLN A 1 323 ? -28.249 -4.437 -24.828 0.50 29.32 ? 325 GLN A CB 1 ATOM 2540 C CG . GLN A 1 323 ? -28.301 -5.784 -24.095 0.50 29.76 ? 325 GLN A CG 1 ATOM 2541 C CD . GLN A 1 323 ? -29.493 -6.639 -24.491 0.50 30.08 ? 325 GLN A CD 1 ATOM 2542 O OE1 . GLN A 1 323 ? -29.599 -7.088 -25.632 0.50 30.35 ? 325 GLN A OE1 1 ATOM 2543 N NE2 . GLN A 1 323 ? -30.397 -6.868 -23.544 0.50 30.42 ? 325 GLN A NE2 1 ATOM 2544 N N . ILE A 1 324 ? -30.338 -3.305 -26.817 0.50 29.66 ? 326 ILE A N 1 ATOM 2545 C CA . ILE A 1 324 ? -31.287 -3.574 -27.892 0.50 29.74 ? 326 ILE A CA 1 ATOM 2546 C C . ILE A 1 324 ? -30.819 -4.754 -28.742 0.50 29.82 ? 326 ILE A C 1 ATOM 2547 O O . ILE A 1 324 ? -31.179 -5.901 -28.477 0.50 30.01 ? 326 ILE A O 1 ATOM 2548 C CB . ILE A 1 324 ? -31.510 -2.338 -28.787 0.50 29.95 ? 326 ILE A CB 1 ATOM 2549 C CG1 . ILE A 1 324 ? -32.354 -1.297 -28.046 0.50 29.67 ? 326 ILE A CG1 1 ATOM 2550 C CG2 . ILE A 1 324 ? -32.175 -2.737 -30.108 0.50 29.83 ? 326 ILE A CG2 1 ATOM 2551 C CD1 . ILE A 1 324 ? -32.625 -0.046 -28.846 0.50 29.95 ? 326 ILE A CD1 1 ATOM 2552 N N . GLY B 2 1 ? -37.344 9.746 -19.262 1.00 31.80 ? 1 GLY B N 1 ATOM 2553 C CA . GLY B 2 1 ? -36.825 10.756 -18.301 1.00 30.63 ? 1 GLY B CA 1 ATOM 2554 C C . GLY B 2 1 ? -37.065 12.168 -18.780 1.00 30.30 ? 1 GLY B C 1 ATOM 2555 O O . GLY B 2 1 ? -37.592 12.381 -19.884 1.00 29.87 ? 1 GLY B O 1 ATOM 2556 N N . LEU B 2 2 ? -36.628 13.134 -17.983 1.00 29.68 ? 2 LEU B N 1 ATOM 2557 C CA . LEU B 2 2 ? -36.994 14.537 -18.196 1.00 29.70 ? 2 LEU B CA 1 ATOM 2558 C C . LEU B 2 2 ? -36.576 15.089 -19.556 1.00 29.37 ? 2 LEU B C 1 ATOM 2559 O O . LEU B 2 2 ? -37.256 15.938 -20.127 1.00 29.17 ? 2 LEU B O 1 ATOM 2560 C CB . LEU B 2 2 ? -36.408 15.392 -17.075 1.00 30.92 ? 2 LEU B CB 1 ATOM 2561 C CG . LEU B 2 2 ? -37.230 16.569 -16.533 1.00 31.67 ? 2 LEU B CG 1 ATOM 2562 C CD1 . LEU B 2 2 ? -38.648 16.194 -16.066 1.00 29.62 ? 2 LEU B CD1 1 ATOM 2563 C CD2 . LEU B 2 2 ? -36.451 17.242 -15.434 1.00 29.58 ? 2 LEU B CD2 1 ATOM 2564 N N . PHE B 2 3 ? -35.459 14.588 -20.071 1.00 29.19 ? 3 PHE B N 1 ATOM 2565 C CA . PHE B 2 3 ? -34.900 15.120 -21.308 1.00 28.55 ? 3 PHE B CA 1 ATOM 2566 C C . PHE B 2 3 ? -35.122 14.237 -22.541 1.00 28.23 ? 3 PHE B C 1 ATOM 2567 O O . PHE B 2 3 ? -34.776 14.607 -23.660 1.00 28.77 ? 3 PHE B O 1 ATOM 2568 C CB . PHE B 2 3 ? -33.444 15.524 -21.083 1.00 28.38 ? 3 PHE B CB 1 ATOM 2569 C CG . PHE B 2 3 ? -33.314 16.650 -20.109 1.00 29.04 ? 3 PHE B CG 1 ATOM 2570 C CD1 . PHE B 2 3 ? -33.376 17.969 -20.543 1.00 31.43 ? 3 PHE B CD1 1 ATOM 2571 C CD2 . PHE B 2 3 ? -33.214 16.392 -18.749 1.00 31.39 ? 3 PHE B CD2 1 ATOM 2572 C CE1 . PHE B 2 3 ? -33.305 19.024 -19.624 1.00 30.86 ? 3 PHE B CE1 1 ATOM 2573 C CE2 . PHE B 2 3 ? -33.147 17.433 -17.823 1.00 30.55 ? 3 PHE B CE2 1 ATOM 2574 C CZ . PHE B 2 3 ? -33.185 18.746 -18.264 1.00 30.59 ? 3 PHE B CZ 1 ATOM 2575 N N . GLY B 2 4 ? -35.725 13.075 -22.311 1.00 27.82 ? 4 GLY B N 1 ATOM 2576 C CA . GLY B 2 4 ? -36.253 12.239 -23.376 1.00 27.09 ? 4 GLY B CA 1 ATOM 2577 C C . GLY B 2 4 ? -35.259 11.422 -24.188 1.00 26.63 ? 4 GLY B C 1 ATOM 2578 O O . GLY B 2 4 ? -35.649 10.780 -25.148 1.00 26.73 ? 4 GLY B O 1 ATOM 2579 N N . ALA B 2 5 ? -33.988 11.435 -23.794 1.00 26.56 ? 5 ALA B N 1 ATOM 2580 C CA . ALA B 2 5 ? -32.953 10.675 -24.501 1.00 26.43 ? 5 ALA B CA 1 ATOM 2581 C C . ALA B 2 5 ? -32.730 9.278 -23.936 1.00 26.32 ? 5 ALA B C 1 ATOM 2582 O O . ALA B 2 5 ? -32.930 8.289 -24.651 1.00 26.35 ? 5 ALA B O 1 ATOM 2583 C CB . ALA B 2 5 ? -31.642 11.451 -24.541 1.00 26.45 ? 5 ALA B CB 1 ATOM 2584 N N . ILE B 2 6 ? -32.299 9.207 -22.677 1.00 26.64 ? 6 ILE B N 1 ATOM 2585 C CA . ILE B 2 6 ? -32.064 7.928 -22.006 1.00 27.35 ? 6 ILE B CA 1 ATOM 2586 C C . ILE B 2 6 ? -33.369 7.170 -21.827 1.00 27.92 ? 6 ILE B C 1 ATOM 2587 O O . ILE B 2 6 ? -34.354 7.717 -21.324 1.00 28.38 ? 6 ILE B O 1 ATOM 2588 C CB . ILE B 2 6 ? -31.304 8.087 -20.667 1.00 27.22 ? 6 ILE B CB 1 ATOM 2589 C CG1 . ILE B 2 6 ? -29.920 8.694 -20.929 1.00 25.80 ? 6 ILE B CG1 1 ATOM 2590 C CG2 . ILE B 2 6 ? -31.162 6.726 -19.965 1.00 28.02 ? 6 ILE B CG2 1 ATOM 2591 C CD1 . ILE B 2 6 ? -29.162 9.059 -19.638 1.00 27.32 ? 6 ILE B CD1 1 ATOM 2592 N N . ALA B 2 7 ? -33.369 5.912 -22.270 1.00 29.12 ? 7 ALA B N 1 ATOM 2593 C CA . ALA B 2 7 ? -34.597 5.105 -22.321 1.00 30.23 ? 7 ALA B CA 1 ATOM 2594 C C . ALA B 2 7 ? -35.714 5.884 -23.033 1.00 30.69 ? 7 ALA B C 1 ATOM 2595 O O . ALA B 2 7 ? -36.902 5.770 -22.687 1.00 31.49 ? 7 ALA B O 1 ATOM 2596 C CB . ALA B 2 7 ? -35.022 4.659 -20.916 1.00 31.09 ? 7 ALA B CB 1 ATOM 2597 N N . GLY B 2 8 ? -35.302 6.693 -24.012 1.00 30.17 ? 8 GLY B N 1 ATOM 2598 C CA . GLY B 2 8 ? -36.201 7.579 -24.740 1.00 30.21 ? 8 GLY B CA 1 ATOM 2599 C C . GLY B 2 8 ? -36.003 7.360 -26.223 1.00 29.89 ? 8 GLY B C 1 ATOM 2600 O O . GLY B 2 8 ? -36.142 6.237 -26.731 1.00 30.29 ? 8 GLY B O 1 ATOM 2601 N N . PHE B 2 9 ? -35.642 8.420 -26.937 1.00 29.88 ? 9 PHE B N 1 ATOM 2602 C CA . PHE B 2 9 ? -35.412 8.262 -28.366 1.00 28.94 ? 9 PHE B CA 1 ATOM 2603 C C . PHE B 2 9 ? -34.152 7.424 -28.620 1.00 28.34 ? 9 PHE B C 1 ATOM 2604 O O . PHE B 2 9 ? -34.046 6.741 -29.647 1.00 28.89 ? 9 PHE B O 1 ATOM 2605 C CB . PHE B 2 9 ? -35.431 9.594 -29.134 1.00 29.17 ? 9 PHE B CB 1 ATOM 2606 C CG . PHE B 2 9 ? -34.211 10.449 -28.930 1.00 29.40 ? 9 PHE B CG 1 ATOM 2607 C CD1 . PHE B 2 9 ? -33.058 10.268 -29.707 1.00 30.66 ? 9 PHE B CD1 1 ATOM 2608 C CD2 . PHE B 2 9 ? -34.233 11.480 -28.009 1.00 30.15 ? 9 PHE B CD2 1 ATOM 2609 C CE1 . PHE B 2 9 ? -31.926 11.086 -29.504 1.00 30.06 ? 9 PHE B CE1 1 ATOM 2610 C CE2 . PHE B 2 9 ? -33.111 12.291 -27.809 1.00 32.05 ? 9 PHE B CE2 1 ATOM 2611 C CZ . PHE B 2 9 ? -31.965 12.097 -28.548 1.00 31.13 ? 9 PHE B CZ 1 ATOM 2612 N N . ILE B 2 10 ? -33.197 7.471 -27.688 1.00 27.28 ? 10 ILE B N 1 ATOM 2613 C CA . ILE B 2 10 ? -32.133 6.475 -27.700 1.00 27.21 ? 10 ILE B CA 1 ATOM 2614 C C . ILE B 2 10 ? -32.612 5.353 -26.791 1.00 27.90 ? 10 ILE B C 1 ATOM 2615 O O . ILE B 2 10 ? -32.541 5.460 -25.579 1.00 26.47 ? 10 ILE B O 1 ATOM 2616 C CB . ILE B 2 10 ? -30.758 7.051 -27.308 1.00 27.49 ? 10 ILE B CB 1 ATOM 2617 C CG1 . ILE B 2 10 ? -30.407 8.244 -28.204 1.00 27.04 ? 10 ILE B CG1 1 ATOM 2618 C CG2 . ILE B 2 10 ? -29.684 5.978 -27.410 1.00 27.16 ? 10 ILE B CG2 1 ATOM 2619 C CD1 . ILE B 2 10 ? -29.196 9.027 -27.712 1.00 26.08 ? 10 ILE B CD1 1 ATOM 2620 N N . GLU B 2 11 ? -33.124 4.288 -27.402 1.00 28.86 ? 11 GLU B N 1 ATOM 2621 C CA . GLU B 2 11 ? -33.950 3.320 -26.691 1.00 29.96 ? 11 GLU B CA 1 ATOM 2622 C C . GLU B 2 11 ? -33.215 2.460 -25.661 1.00 29.80 ? 11 GLU B C 1 ATOM 2623 O O . GLU B 2 11 ? -33.795 2.084 -24.637 1.00 30.23 ? 11 GLU B O 1 ATOM 2624 C CB . GLU B 2 11 ? -34.713 2.447 -27.682 1.00 30.99 ? 11 GLU B CB 1 ATOM 2625 C CG . GLU B 2 11 ? -35.838 3.188 -28.376 1.00 34.88 ? 11 GLU B CG 1 ATOM 2626 C CD . GLU B 2 11 ? -36.551 2.336 -29.404 1.00 39.70 ? 11 GLU B CD 1 ATOM 2627 O OE1 . GLU B 2 11 ? -37.110 2.920 -30.363 1.00 42.44 ? 11 GLU B OE1 1 ATOM 2628 O OE2 . GLU B 2 11 ? -36.545 1.088 -29.263 1.00 42.08 ? 11 GLU B OE2 1 ATOM 2629 N N . GLY B 2 12 ? -31.949 2.162 -25.929 1.00 29.49 ? 12 GLY B N 1 ATOM 2630 C CA . GLY B 2 12 ? -31.162 1.324 -25.038 1.00 29.77 ? 12 GLY B CA 1 ATOM 2631 C C . GLY B 2 12 ? -29.736 1.792 -24.856 1.00 29.80 ? 12 GLY B C 1 ATOM 2632 O O . GLY B 2 12 ? -29.243 2.624 -25.621 1.00 29.81 ? 12 GLY B O 1 ATOM 2633 N N . GLY B 2 13 ? -29.072 1.247 -23.841 1.00 29.89 ? 13 GLY B N 1 ATOM 2634 C CA . GLY B 2 13 ? -27.665 1.541 -23.599 1.00 29.88 ? 13 GLY B CA 1 ATOM 2635 C C . GLY B 2 13 ? -26.719 0.570 -24.268 1.00 30.17 ? 13 GLY B C 1 ATOM 2636 O O . GLY B 2 13 ? -27.154 -0.434 -24.855 1.00 30.36 ? 13 GLY B O 1 ATOM 2637 N N . TRP B 2 14 ? -25.427 0.885 -24.195 1.00 30.08 ? 14 TRP B N 1 ATOM 2638 C CA . TRP B 2 14 ? -24.388 0.115 -24.880 1.00 30.31 ? 14 TRP B CA 1 ATOM 2639 C C . TRP B 2 14 ? -23.464 -0.595 -23.904 1.00 31.13 ? 14 TRP B C 1 ATOM 2640 O O . TRP B 2 14 ? -22.644 0.047 -23.244 1.00 30.82 ? 14 TRP B O 1 ATOM 2641 C CB . TRP B 2 14 ? -23.553 1.022 -25.791 1.00 29.74 ? 14 TRP B CB 1 ATOM 2642 C CG . TRP B 2 14 ? -24.280 1.556 -26.955 1.00 28.76 ? 14 TRP B CG 1 ATOM 2643 C CD1 . TRP B 2 14 ? -25.376 1.012 -27.559 1.00 28.95 ? 14 TRP B CD1 1 ATOM 2644 C CD2 . TRP B 2 14 ? -23.942 2.727 -27.710 1.00 28.13 ? 14 TRP B CD2 1 ATOM 2645 N NE1 . TRP B 2 14 ? -25.754 1.780 -28.626 1.00 28.33 ? 14 TRP B NE1 1 ATOM 2646 C CE2 . TRP B 2 14 ? -24.889 2.835 -28.753 1.00 28.05 ? 14 TRP B CE2 1 ATOM 2647 C CE3 . TRP B 2 14 ? -22.935 3.697 -27.603 1.00 27.70 ? 14 TRP B CE3 1 ATOM 2648 C CZ2 . TRP B 2 14 ? -24.870 3.879 -29.682 1.00 26.79 ? 14 TRP B CZ2 1 ATOM 2649 C CZ3 . TRP B 2 14 ? -22.906 4.737 -28.540 1.00 28.96 ? 14 TRP B CZ3 1 ATOM 2650 C CH2 . TRP B 2 14 ? -23.876 4.818 -29.560 1.00 28.93 ? 14 TRP B CH2 1 ATOM 2651 N N . GLN B 2 15 ? -23.589 -1.923 -23.841 1.00 32.07 ? 15 GLN B N 1 ATOM 2652 C CA . GLN B 2 15 ? -22.653 -2.769 -23.096 1.00 33.15 ? 15 GLN B CA 1 ATOM 2653 C C . GLN B 2 15 ? -21.239 -2.619 -23.675 1.00 33.09 ? 15 GLN B C 1 ATOM 2654 O O . GLN B 2 15 ? -20.254 -2.685 -22.940 1.00 33.25 ? 15 GLN B O 1 ATOM 2655 C CB . GLN B 2 15 ? -23.074 -4.250 -23.140 1.00 33.44 ? 15 GLN B CB 1 ATOM 2656 C CG . GLN B 2 15 ? -24.453 -4.580 -22.550 1.00 34.26 ? 15 GLN B CG 1 ATOM 2657 C CD . GLN B 2 15 ? -24.506 -4.536 -21.028 1.00 35.42 ? 15 GLN B CD 1 ATOM 2658 O OE1 . GLN B 2 15 ? -23.563 -4.937 -20.339 1.00 35.10 ? 15 GLN B OE1 1 ATOM 2659 N NE2 . GLN B 2 15 ? -25.633 -4.070 -20.496 1.00 35.60 ? 15 GLN B NE2 1 ATOM 2660 N N . GLY B 2 16 ? -21.151 -2.402 -24.987 1.00 34.08 ? 16 GLY B N 1 ATOM 2661 C CA . GLY B 2 16 ? -19.869 -2.286 -25.665 1.00 34.45 ? 16 GLY B CA 1 ATOM 2662 C C . GLY B 2 16 ? -19.091 -0.997 -25.464 1.00 35.39 ? 16 GLY B C 1 ATOM 2663 O O . GLY B 2 16 ? -17.931 -0.905 -25.880 1.00 36.05 ? 16 GLY B O 1 ATOM 2664 N N . MET B 2 17 ? -19.713 0.014 -24.859 1.00 36.15 ? 17 MET B N 1 ATOM 2665 C CA . MET B 2 17 ? -18.994 1.256 -24.566 1.00 36.71 ? 17 MET B CA 1 ATOM 2666 C C . MET B 2 17 ? -18.585 1.312 -23.101 1.00 37.42 ? 17 MET B C 1 ATOM 2667 O O . MET B 2 17 ? -19.386 1.645 -22.223 1.00 37.13 ? 17 MET B O 1 ATOM 2668 C CB . MET B 2 17 ? -19.798 2.491 -24.962 1.00 36.93 ? 17 MET B CB 1 ATOM 2669 C CG . MET B 2 17 ? -18.994 3.779 -24.857 1.00 36.43 ? 17 MET B CG 1 ATOM 2670 S SD . MET B 2 17 ? -19.953 5.222 -25.309 1.00 36.82 ? 17 MET B SD 1 ATOM 2671 C CE . MET B 2 17 ? -21.127 5.252 -23.947 1.00 37.16 ? 17 MET B CE 1 ATOM 2672 N N . VAL B 2 18 ? -17.315 1.008 -22.863 1.00 38.13 ? 18 VAL B N 1 ATOM 2673 C CA . VAL B 2 18 ? -16.827 0.677 -21.530 1.00 38.91 ? 18 VAL B CA 1 ATOM 2674 C C . VAL B 2 18 ? -15.953 1.752 -20.878 1.00 39.04 ? 18 VAL B C 1 ATOM 2675 O O . VAL B 2 18 ? -15.613 1.637 -19.704 1.00 39.21 ? 18 VAL B O 1 ATOM 2676 C CB . VAL B 2 18 ? -16.068 -0.679 -21.550 1.00 39.07 ? 18 VAL B CB 1 ATOM 2677 C CG1 . VAL B 2 18 ? -16.994 -1.799 -22.000 1.00 39.92 ? 18 VAL B CG1 1 ATOM 2678 C CG2 . VAL B 2 18 ? -14.851 -0.609 -22.466 1.00 39.29 ? 18 VAL B CG2 1 ATOM 2679 N N . ASP B 2 19 ? -15.600 2.796 -21.627 1.00 39.40 ? 19 ASP B N 1 ATOM 2680 C CA . ASP B 2 19 ? -14.661 3.807 -21.123 1.00 39.57 ? 19 ASP B CA 1 ATOM 2681 C C . ASP B 2 19 ? -15.265 5.196 -20.884 1.00 38.72 ? 19 ASP B C 1 ATOM 2682 O O . ASP B 2 19 ? -14.554 6.206 -20.901 1.00 38.83 ? 19 ASP B O 1 ATOM 2683 C CB . ASP B 2 19 ? -13.416 3.893 -22.019 1.00 40.56 ? 19 ASP B CB 1 ATOM 2684 C CG . ASP B 2 19 ? -13.741 4.212 -23.464 1.00 43.06 ? 19 ASP B CG 1 ATOM 2685 O OD1 . ASP B 2 19 ? -14.937 4.222 -23.854 1.00 45.80 ? 19 ASP B OD1 1 ATOM 2686 O OD2 . ASP B 2 19 ? -12.776 4.439 -24.236 1.00 46.82 ? 19 ASP B OD2 1 ATOM 2687 N N . GLY B 2 20 ? -16.572 5.238 -20.647 1.00 37.18 ? 20 GLY B N 1 ATOM 2688 C CA . GLY B 2 20 ? -17.245 6.482 -20.313 1.00 35.70 ? 20 GLY B CA 1 ATOM 2689 C C . GLY B 2 20 ? -18.748 6.327 -20.289 1.00 34.56 ? 20 GLY B C 1 ATOM 2690 O O . GLY B 2 20 ? -19.279 5.292 -20.703 1.00 35.26 ? 20 GLY B O 1 ATOM 2691 N N . TRP B 2 21 ? -19.425 7.371 -19.822 1.00 32.98 ? 21 TRP B N 1 ATOM 2692 C CA . TRP B 2 21 ? -20.869 7.367 -19.677 1.00 31.21 ? 21 TRP B CA 1 ATOM 2693 C C . TRP B 2 21 ? -21.617 7.627 -20.980 1.00 29.87 ? 21 TRP B C 1 ATOM 2694 O O . TRP B 2 21 ? -22.710 7.117 -21.163 1.00 29.09 ? 21 TRP B O 1 ATOM 2695 C CB . TRP B 2 21 ? -21.305 8.403 -18.643 1.00 31.36 ? 21 TRP B CB 1 ATOM 2696 C CG . TRP B 2 21 ? -21.226 7.941 -17.211 1.00 31.36 ? 21 TRP B CG 1 ATOM 2697 C CD1 . TRP B 2 21 ? -21.466 6.681 -16.727 1.00 32.08 ? 21 TRP B CD1 1 ATOM 2698 C CD2 . TRP B 2 21 ? -20.940 8.761 -16.074 1.00 32.80 ? 21 TRP B CD2 1 ATOM 2699 N NE1 . TRP B 2 21 ? -21.329 6.668 -15.345 1.00 32.29 ? 21 TRP B NE1 1 ATOM 2700 C CE2 . TRP B 2 21 ? -21.007 7.932 -14.927 1.00 32.27 ? 21 TRP B CE2 1 ATOM 2701 C CE3 . TRP B 2 21 ? -20.626 10.119 -15.910 1.00 33.08 ? 21 TRP B CE3 1 ATOM 2702 C CZ2 . TRP B 2 21 ? -20.766 8.419 -13.635 1.00 32.37 ? 21 TRP B CZ2 1 ATOM 2703 C CZ3 . TRP B 2 21 ? -20.390 10.598 -14.626 1.00 32.30 ? 21 TRP B CZ3 1 ATOM 2704 C CH2 . TRP B 2 21 ? -20.461 9.750 -13.510 1.00 32.04 ? 21 TRP B CH2 1 ATOM 2705 N N . TYR B 2 22 ? -21.039 8.446 -21.858 1.00 29.91 ? 22 TYR B N 1 ATOM 2706 C CA . TYR B 2 22 ? -21.709 8.855 -23.101 1.00 29.03 ? 22 TYR B CA 1 ATOM 2707 C C . TYR B 2 22 ? -20.699 8.824 -24.221 1.00 29.45 ? 22 TYR B C 1 ATOM 2708 O O . TYR B 2 22 ? -19.501 8.979 -23.980 1.00 29.90 ? 22 TYR B O 1 ATOM 2709 C CB . TYR B 2 22 ? -22.263 10.282 -23.019 1.00 29.17 ? 22 TYR B CB 1 ATOM 2710 C CG . TYR B 2 22 ? -22.618 10.790 -21.636 1.00 28.60 ? 22 TYR B CG 1 ATOM 2711 C CD1 . TYR B 2 22 ? -23.634 10.197 -20.889 1.00 28.36 ? 22 TYR B CD1 1 ATOM 2712 C CD2 . TYR B 2 22 ? -21.941 11.876 -21.079 1.00 29.86 ? 22 TYR B CD2 1 ATOM 2713 C CE1 . TYR B 2 22 ? -23.961 10.656 -19.606 1.00 29.20 ? 22 TYR B CE1 1 ATOM 2714 C CE2 . TYR B 2 22 ? -22.263 12.355 -19.805 1.00 29.09 ? 22 TYR B CE2 1 ATOM 2715 C CZ . TYR B 2 22 ? -23.276 11.741 -19.075 1.00 28.43 ? 22 TYR B CZ 1 ATOM 2716 O OH . TYR B 2 22 ? -23.618 12.190 -17.813 1.00 28.26 ? 22 TYR B OH 1 ATOM 2717 N N . GLY B 2 23 ? -21.187 8.624 -25.442 1.00 28.88 ? 23 GLY B N 1 ATOM 2718 C CA . GLY B 2 23 ? -20.320 8.628 -26.601 1.00 28.22 ? 23 GLY B CA 1 ATOM 2719 C C . GLY B 2 23 ? -20.969 8.181 -27.898 1.00 28.34 ? 23 GLY B C 1 ATOM 2720 O O . GLY B 2 23 ? -22.152 8.426 -28.135 1.00 27.83 ? 23 GLY B O 1 ATOM 2721 N N . TYR B 2 24 ? -20.172 7.505 -28.720 1.00 28.46 ? 24 TYR B N 1 ATOM 2722 C CA . TYR B 2 24 ? -20.480 7.303 -30.127 1.00 28.88 ? 24 TYR B CA 1 ATOM 2723 C C . TYR B 2 24 ? -20.337 5.848 -30.557 1.00 29.15 ? 24 TYR B C 1 ATOM 2724 O O . TYR B 2 24 ? -19.559 5.085 -29.979 1.00 29.39 ? 24 TYR B O 1 ATOM 2725 C CB . TYR B 2 24 ? -19.521 8.144 -30.988 1.00 29.24 ? 24 TYR B CB 1 ATOM 2726 C CG . TYR B 2 24 ? -19.335 9.579 -30.539 1.00 29.41 ? 24 TYR B CG 1 ATOM 2727 C CD1 . TYR B 2 24 ? -20.151 10.593 -31.032 1.00 30.44 ? 24 TYR B CD1 1 ATOM 2728 C CD2 . TYR B 2 24 ? -18.335 9.919 -29.632 1.00 29.18 ? 24 TYR B CD2 1 ATOM 2729 C CE1 . TYR B 2 24 ? -19.981 11.916 -30.620 1.00 30.11 ? 24 TYR B CE1 1 ATOM 2730 C CE2 . TYR B 2 24 ? -18.161 11.232 -29.209 1.00 30.55 ? 24 TYR B CE2 1 ATOM 2731 C CZ . TYR B 2 24 ? -18.983 12.226 -29.716 1.00 30.07 ? 24 TYR B CZ 1 ATOM 2732 O OH . TYR B 2 24 ? -18.818 13.529 -29.306 1.00 32.17 ? 24 TYR B OH 1 ATOM 2733 N N . HIS B 2 25 ? -21.102 5.478 -31.579 1.00 28.94 ? 25 HIS B N 1 ATOM 2734 C CA . HIS B 2 25 ? -20.822 4.280 -32.345 1.00 29.60 ? 25 HIS B CA 1 ATOM 2735 C C . HIS B 2 25 ? -20.817 4.726 -33.803 1.00 29.76 ? 25 HIS B C 1 ATOM 2736 O O . HIS B 2 25 ? -21.767 5.356 -34.262 1.00 29.68 ? 25 HIS B O 1 ATOM 2737 C CB . HIS B 2 25 ? -21.868 3.188 -32.109 1.00 29.24 ? 25 HIS B CB 1 ATOM 2738 C CG . HIS B 2 25 ? -21.607 1.936 -32.887 1.00 30.15 ? 25 HIS B CG 1 ATOM 2739 N ND1 . HIS B 2 25 ? -20.809 0.916 -32.415 1.00 31.36 ? 25 HIS B ND1 1 ATOM 2740 C CD2 . HIS B 2 25 ? -22.032 1.546 -34.111 1.00 30.51 ? 25 HIS B CD2 1 ATOM 2741 C CE1 . HIS B 2 25 ? -20.747 -0.045 -33.321 1.00 31.78 ? 25 HIS B CE1 1 ATOM 2742 N NE2 . HIS B 2 25 ? -21.481 0.312 -34.357 1.00 31.94 ? 25 HIS B NE2 1 ATOM 2743 N N . HIS B 2 26 ? -19.743 4.425 -34.524 1.00 30.78 ? 26 HIS B N 1 ATOM 2744 C CA . HIS B 2 26 ? -19.651 4.861 -35.915 1.00 31.23 ? 26 HIS B CA 1 ATOM 2745 C C . HIS B 2 26 ? -19.613 3.661 -36.859 1.00 31.77 ? 26 HIS B C 1 ATOM 2746 O O . HIS B 2 26 ? -19.177 2.575 -36.483 1.00 31.24 ? 26 HIS B O 1 ATOM 2747 C CB . HIS B 2 26 ? -18.398 5.715 -36.126 1.00 31.88 ? 26 HIS B CB 1 ATOM 2748 C CG . HIS B 2 26 ? -17.136 4.912 -36.193 1.00 32.43 ? 26 HIS B CG 1 ATOM 2749 N ND1 . HIS B 2 26 ? -16.432 4.528 -35.069 1.00 33.16 ? 26 HIS B ND1 1 ATOM 2750 C CD2 . HIS B 2 26 ? -16.462 4.403 -37.254 1.00 33.06 ? 26 HIS B CD2 1 ATOM 2751 C CE1 . HIS B 2 26 ? -15.378 3.818 -35.438 1.00 33.15 ? 26 HIS B CE1 1 ATOM 2752 N NE2 . HIS B 2 26 ? -15.377 3.725 -36.756 1.00 34.34 ? 26 HIS B NE2 1 ATOM 2753 N N . SER B 2 27 ? -20.056 3.879 -38.091 1.00 32.16 ? 27 SER B N 1 ATOM 2754 C CA . SER B 2 27 ? -20.075 2.833 -39.088 1.00 33.23 ? 27 SER B CA 1 ATOM 2755 C C . SER B 2 27 ? -19.668 3.451 -40.419 1.00 33.20 ? 27 SER B C 1 ATOM 2756 O O . SER B 2 27 ? -20.304 4.384 -40.907 1.00 33.39 ? 27 SER B O 1 ATOM 2757 C CB . SER B 2 27 ? -21.482 2.231 -39.156 1.00 33.64 ? 27 SER B CB 1 ATOM 2758 O OG . SER B 2 27 ? -21.569 1.187 -40.096 1.00 35.83 ? 27 SER B OG 1 ATOM 2759 N N . ASN B 2 28 ? -18.576 2.962 -40.989 1.00 33.87 ? 28 ASN B N 1 ATOM 2760 C CA . ASN B 2 28 ? -18.203 3.395 -42.339 1.00 33.90 ? 28 ASN B CA 1 ATOM 2761 C C . ASN B 2 28 ? -17.568 2.258 -43.148 1.00 34.81 ? 28 ASN B C 1 ATOM 2762 O O . ASN B 2 28 ? -17.700 1.086 -42.778 1.00 35.22 ? 28 ASN B O 1 ATOM 2763 C CB . ASN B 2 28 ? -17.333 4.665 -42.296 1.00 33.76 ? 28 ASN B CB 1 ATOM 2764 C CG . ASN B 2 28 ? -16.053 4.484 -41.502 1.00 32.76 ? 28 ASN B CG 1 ATOM 2765 O OD1 . ASN B 2 28 ? -15.602 3.367 -41.269 1.00 34.97 ? 28 ASN B OD1 1 ATOM 2766 N ND2 . ASN B 2 28 ? -15.456 5.596 -41.082 1.00 34.45 ? 28 ASN B ND2 1 ATOM 2767 N N . ASP B 2 29 ? -16.909 2.596 -44.255 1.00 35.60 ? 29 ASP B N 1 ATOM 2768 C CA . ASP B 2 29 ? -16.235 1.579 -45.065 1.00 36.48 ? 29 ASP B CA 1 ATOM 2769 C C . ASP B 2 29 ? -15.060 0.931 -44.321 1.00 36.71 ? 29 ASP B C 1 ATOM 2770 O O . ASP B 2 29 ? -14.839 -0.276 -44.442 1.00 37.45 ? 29 ASP B O 1 ATOM 2771 C CB . ASP B 2 29 ? -15.758 2.154 -46.410 1.00 36.25 ? 29 ASP B CB 1 ATOM 2772 C CG . ASP B 2 29 ? -16.895 2.341 -47.425 1.00 37.99 ? 29 ASP B CG 1 ATOM 2773 O OD1 . ASP B 2 29 ? -18.051 1.928 -47.170 1.00 38.69 ? 29 ASP B OD1 1 ATOM 2774 O OD2 . ASP B 2 29 ? -16.618 2.899 -48.507 1.00 38.67 ? 29 ASP B OD2 1 ATOM 2775 N N . GLN B 2 30 ? -14.317 1.736 -43.561 1.00 37.13 ? 30 GLN B N 1 ATOM 2776 C CA . GLN B 2 30 ? -13.158 1.261 -42.791 1.00 37.13 ? 30 GLN B CA 1 ATOM 2777 C C . GLN B 2 30 ? -13.512 0.323 -41.639 1.00 36.84 ? 30 GLN B C 1 ATOM 2778 O O . GLN B 2 30 ? -12.670 -0.459 -41.208 1.00 36.72 ? 30 GLN B O 1 ATOM 2779 C CB . GLN B 2 30 ? -12.328 2.436 -42.260 1.00 37.14 ? 30 GLN B CB 1 ATOM 2780 C CG . GLN B 2 30 ? -11.455 3.115 -43.306 1.00 39.22 ? 30 GLN B CG 1 ATOM 2781 C CD . GLN B 2 30 ? -11.228 4.579 -42.994 1.00 41.75 ? 30 GLN B CD 1 ATOM 2782 O OE1 . GLN B 2 30 ? -12.161 5.379 -43.036 1.00 41.64 ? 30 GLN B OE1 1 ATOM 2783 N NE2 . GLN B 2 30 ? -9.987 4.939 -42.675 1.00 41.37 ? 30 GLN B NE2 1 ATOM 2784 N N . GLY B 2 31 ? -14.748 0.403 -41.145 1.00 36.36 ? 31 GLY B N 1 ATOM 2785 C CA . GLY B 2 31 ? -15.189 -0.453 -40.047 1.00 35.89 ? 31 GLY B CA 1 ATOM 2786 C C . GLY B 2 31 ? -16.186 0.215 -39.124 1.00 35.27 ? 31 GLY B C 1 ATOM 2787 O O . GLY B 2 31 ? -16.775 1.240 -39.468 1.00 35.44 ? 31 GLY B O 1 ATOM 2788 N N . SER B 2 32 ? -16.367 -0.376 -37.946 1.00 35.10 ? 32 SER B N 1 ATOM 2789 C CA . SER B 2 32 ? -17.313 0.123 -36.953 1.00 34.85 ? 32 SER B CA 1 ATOM 2790 C C . SER B 2 32 ? -16.784 -0.045 -35.530 1.00 34.76 ? 32 SER B C 1 ATOM 2791 O O . SER B 2 32 ? -15.946 -0.901 -35.267 1.00 34.44 ? 32 SER B O 1 ATOM 2792 C CB . SER B 2 32 ? -18.671 -0.572 -37.124 1.00 35.15 ? 32 SER B CB 1 ATOM 2793 O OG . SER B 2 32 ? -18.639 -1.914 -36.667 1.00 35.75 ? 32 SER B OG 1 ATOM 2794 N N . GLY B 2 33 ? -17.286 0.771 -34.605 1.00 34.29 ? 33 GLY B N 1 ATOM 2795 C CA . GLY B 2 33 ? -16.845 0.684 -33.212 1.00 34.23 ? 33 GLY B CA 1 ATOM 2796 C C . GLY B 2 33 ? -17.375 1.748 -32.267 1.00 34.08 ? 33 GLY B C 1 ATOM 2797 O O . GLY B 2 33 ? -17.901 2.775 -32.697 1.00 34.16 ? 33 GLY B O 1 ATOM 2798 N N . TYR B 2 34 ? -17.220 1.485 -30.972 1.00 34.19 ? 34 TYR B N 1 ATOM 2799 C CA . TYR B 2 34 ? -17.628 2.418 -29.918 1.00 34.32 ? 34 TYR B CA 1 ATOM 2800 C C . TYR B 2 34 ? -16.465 3.302 -29.469 1.00 34.64 ? 34 TYR B C 1 ATOM 2801 O O . TYR B 2 34 ? -15.299 2.910 -29.576 1.00 35.35 ? 34 TYR B O 1 ATOM 2802 C CB . TYR B 2 34 ? -18.164 1.655 -28.706 1.00 34.06 ? 34 TYR B CB 1 ATOM 2803 C CG . TYR B 2 34 ? -19.357 0.756 -28.970 1.00 33.67 ? 34 TYR B CG 1 ATOM 2804 C CD1 . TYR B 2 34 ? -20.662 1.249 -28.870 1.00 32.64 ? 34 TYR B CD1 1 ATOM 2805 C CD2 . TYR B 2 34 ? -19.181 -0.596 -29.284 1.00 33.64 ? 34 TYR B CD2 1 ATOM 2806 C CE1 . TYR B 2 34 ? -21.762 0.423 -29.085 1.00 32.76 ? 34 TYR B CE1 1 ATOM 2807 C CE2 . TYR B 2 34 ? -20.274 -1.431 -29.505 1.00 33.60 ? 34 TYR B CE2 1 ATOM 2808 C CZ . TYR B 2 34 ? -21.560 -0.917 -29.401 1.00 34.34 ? 34 TYR B CZ 1 ATOM 2809 O OH . TYR B 2 34 ? -22.641 -1.742 -29.620 1.00 34.58 ? 34 TYR B OH 1 ATOM 2810 N N . ALA B 2 35 ? -16.796 4.492 -28.975 1.00 34.73 ? 35 ALA B N 1 ATOM 2811 C CA . ALA B 2 35 ? -15.835 5.426 -28.391 1.00 34.96 ? 35 ALA B CA 1 ATOM 2812 C C . ALA B 2 35 ? -16.569 6.375 -27.436 1.00 35.34 ? 35 ALA B C 1 ATOM 2813 O O . ALA B 2 35 ? -17.601 6.944 -27.791 1.00 34.58 ? 35 ALA B O 1 ATOM 2814 C CB . ALA B 2 35 ? -15.113 6.208 -29.482 1.00 35.13 ? 35 ALA B CB 1 ATOM 2815 N N . ALA B 2 36 ? -16.041 6.540 -26.225 1.00 36.22 ? 36 ALA B N 1 ATOM 2816 C CA . ALA B 2 36 ? -16.621 7.477 -25.259 1.00 36.82 ? 36 ALA B CA 1 ATOM 2817 C C . ALA B 2 36 ? -16.308 8.920 -25.650 1.00 37.30 ? 36 ALA B C 1 ATOM 2818 O O . ALA B 2 36 ? -15.275 9.186 -26.266 1.00 37.48 ? 36 ALA B O 1 ATOM 2819 C CB . ALA B 2 36 ? -16.120 7.186 -23.849 1.00 37.12 ? 36 ALA B CB 1 ATOM 2820 N N . ASP B 2 37 ? -17.212 9.842 -25.323 1.00 37.95 ? 37 ASP B N 1 ATOM 2821 C CA . ASP B 2 37 ? -16.924 11.265 -25.462 1.00 38.86 ? 37 ASP B CA 1 ATOM 2822 C C . ASP B 2 37 ? -16.245 11.714 -24.171 1.00 39.63 ? 37 ASP B C 1 ATOM 2823 O O . ASP B 2 37 ? -16.867 11.722 -23.106 1.00 39.11 ? 37 ASP B O 1 ATOM 2824 C CB . ASP B 2 37 ? -18.196 12.074 -25.749 1.00 38.75 ? 37 ASP B CB 1 ATOM 2825 C CG . ASP B 2 37 ? -17.916 13.553 -25.985 1.00 38.78 ? 37 ASP B CG 1 ATOM 2826 O OD1 . ASP B 2 37 ? -17.406 13.915 -27.081 1.00 37.86 ? 37 ASP B OD1 1 ATOM 2827 O OD2 . ASP B 2 37 ? -18.220 14.356 -25.076 1.00 39.10 ? 37 ASP B OD2 1 ATOM 2828 N N . LYS B 2 38 ? -14.962 12.057 -24.277 1.00 40.71 ? 38 LYS B N 1 ATOM 2829 C CA . LYS B 2 38 ? -14.127 12.366 -23.116 1.00 42.12 ? 38 LYS B CA 1 ATOM 2830 C C . LYS B 2 38 ? -14.619 13.623 -22.403 1.00 42.20 ? 38 LYS B C 1 ATOM 2831 O O . LYS B 2 38 ? -14.779 13.633 -21.181 1.00 42.86 ? 38 LYS B O 1 ATOM 2832 C CB . LYS B 2 38 ? -12.652 12.551 -23.523 1.00 42.48 ? 38 LYS B CB 1 ATOM 2833 C CG . LYS B 2 38 ? -12.155 11.707 -24.717 1.00 44.05 ? 38 LYS B CG 1 ATOM 2834 C CD . LYS B 2 38 ? -12.001 10.224 -24.357 1.00 46.07 ? 38 LYS B CD 1 ATOM 2835 C CE . LYS B 2 38 ? -10.894 9.560 -25.179 1.00 47.16 ? 38 LYS B CE 1 ATOM 2836 N NZ . LYS B 2 38 ? -9.565 9.659 -24.489 1.00 47.80 ? 38 LYS B NZ 1 ATOM 2837 N N . GLU B 2 39 ? -14.882 14.667 -23.187 1.00 42.59 ? 39 GLU B N 1 ATOM 2838 C CA . GLU B 2 39 ? -15.243 15.978 -22.646 1.00 42.96 ? 39 GLU B CA 1 ATOM 2839 C C . GLU B 2 39 ? -16.535 15.982 -21.830 1.00 41.83 ? 39 GLU B C 1 ATOM 2840 O O . GLU B 2 39 ? -16.543 16.479 -20.700 1.00 41.99 ? 39 GLU B O 1 ATOM 2841 C CB . GLU B 2 39 ? -15.313 17.018 -23.767 1.00 43.04 ? 39 GLU B CB 1 ATOM 2842 C CG . GLU B 2 39 ? -15.209 18.459 -23.285 1.00 45.34 ? 39 GLU B CG 1 ATOM 2843 C CD . GLU B 2 39 ? -14.942 19.444 -24.417 1.00 44.91 ? 39 GLU B CD 1 ATOM 2844 O OE1 . GLU B 2 39 ? -14.038 20.296 -24.250 1.00 49.05 ? 39 GLU B OE1 1 ATOM 2845 O OE2 . GLU B 2 39 ? -15.624 19.375 -25.468 1.00 48.30 ? 39 GLU B OE2 1 ATOM 2846 N N . SER B 2 40 ? -17.615 15.434 -22.394 1.00 40.59 ? 40 SER B N 1 ATOM 2847 C CA . SER B 2 40 ? -18.909 15.396 -21.699 1.00 39.68 ? 40 SER B CA 1 ATOM 2848 C C . SER B 2 40 ? -18.919 14.438 -20.508 1.00 39.20 ? 40 SER B C 1 ATOM 2849 O O . SER B 2 40 ? -19.590 14.697 -19.509 1.00 38.50 ? 40 SER B O 1 ATOM 2850 C CB . SER B 2 40 ? -20.061 15.063 -22.656 1.00 39.69 ? 40 SER B CB 1 ATOM 2851 O OG . SER B 2 40 ? -19.938 13.760 -23.199 1.00 38.90 ? 40 SER B OG 1 ATOM 2852 N N . THR B 2 41 ? -18.186 13.330 -20.630 1.00 38.85 ? 41 THR B N 1 ATOM 2853 C CA . THR B 2 41 ? -18.049 12.370 -19.530 1.00 38.91 ? 41 THR B CA 1 ATOM 2854 C C . THR B 2 41 ? -17.327 13.008 -18.336 1.00 39.36 ? 41 THR B C 1 ATOM 2855 O O . THR B 2 41 ? -17.811 12.930 -17.202 1.00 39.43 ? 41 THR B O 1 ATOM 2856 C CB . THR B 2 41 ? -17.336 11.076 -19.995 1.00 38.58 ? 41 THR B CB 1 ATOM 2857 O OG1 . THR B 2 41 ? -18.151 10.413 -20.971 1.00 38.90 ? 41 THR B OG1 1 ATOM 2858 C CG2 . THR B 2 41 ? -17.077 10.116 -18.825 1.00 39.02 ? 41 THR B CG2 1 ATOM 2859 N N . GLN B 2 42 ? -16.189 13.650 -18.610 1.00 39.88 ? 42 GLN B N 1 ATOM 2860 C CA . GLN B 2 42 ? -15.394 14.336 -17.582 1.00 40.36 ? 42 GLN B CA 1 ATOM 2861 C C . GLN B 2 42 ? -16.202 15.424 -16.875 1.00 39.98 ? 42 GLN B C 1 ATOM 2862 O O . GLN B 2 42 ? -16.201 15.504 -15.650 1.00 39.58 ? 42 GLN B O 1 ATOM 2863 C CB . GLN B 2 42 ? -14.127 14.937 -18.203 1.00 40.66 ? 42 GLN B CB 1 ATOM 2864 C CG . GLN B 2 42 ? -13.174 15.581 -17.194 1.00 42.54 ? 42 GLN B CG 1 ATOM 2865 C CD . GLN B 2 42 ? -12.624 14.585 -16.180 1.00 44.87 ? 42 GLN B CD 1 ATOM 2866 O OE1 . GLN B 2 42 ? -12.135 13.514 -16.548 1.00 46.59 ? 42 GLN B OE1 1 ATOM 2867 N NE2 . GLN B 2 42 ? -12.699 14.937 -14.897 1.00 45.91 ? 42 GLN B NE2 1 ATOM 2868 N N . LYS B 2 43 ? -16.900 16.245 -17.659 1.00 39.91 ? 43 LYS B N 1 ATOM 2869 C CA . LYS B 2 43 ? -17.776 17.291 -17.125 1.00 40.23 ? 43 LYS B CA 1 ATOM 2870 C C . LYS B 2 43 ? -18.846 16.729 -16.170 1.00 39.89 ? 43 LYS B C 1 ATOM 2871 O O . LYS B 2 43 ? -19.100 17.290 -15.092 1.00 39.95 ? 43 LYS B O 1 ATOM 2872 C CB . LYS B 2 43 ? -18.418 18.079 -18.274 1.00 40.49 ? 43 LYS B CB 1 ATOM 2873 C CG . LYS B 2 43 ? -19.206 19.297 -17.836 1.00 42.77 ? 43 LYS B CG 1 ATOM 2874 C CD . LYS B 2 43 ? -20.004 19.890 -18.993 1.00 46.32 ? 43 LYS B CD 1 ATOM 2875 C CE . LYS B 2 43 ? -20.984 20.968 -18.510 1.00 48.07 ? 43 LYS B CE 1 ATOM 2876 N NZ . LYS B 2 43 ? -20.296 22.157 -17.933 1.00 49.81 ? 43 LYS B NZ 1 ATOM 2877 N N . ALA B 2 44 ? -19.454 15.610 -16.554 1.00 39.18 ? 44 ALA B N 1 ATOM 2878 C CA . ALA B 2 44 ? -20.461 14.962 -15.719 1.00 38.69 ? 44 ALA B CA 1 ATOM 2879 C C . ALA B 2 44 ? -19.840 14.345 -14.464 1.00 38.57 ? 44 ALA B C 1 ATOM 2880 O O . ALA B 2 44 ? -20.412 14.427 -13.377 1.00 38.23 ? 44 ALA B O 1 ATOM 2881 C CB . ALA B 2 44 ? -21.219 13.908 -16.521 1.00 38.45 ? 44 ALA B CB 1 ATOM 2882 N N . PHE B 2 45 ? -18.666 13.744 -14.629 1.00 38.59 ? 45 PHE B N 1 ATOM 2883 C CA . PHE B 2 45 ? -17.947 13.115 -13.527 1.00 39.20 ? 45 PHE B CA 1 ATOM 2884 C C . PHE B 2 45 ? -17.620 14.124 -12.430 1.00 38.89 ? 45 PHE B C 1 ATOM 2885 O O . PHE B 2 45 ? -17.738 13.820 -11.238 1.00 38.91 ? 45 PHE B O 1 ATOM 2886 C CB . PHE B 2 45 ? -16.671 12.432 -14.030 1.00 39.70 ? 45 PHE B CB 1 ATOM 2887 C CG . PHE B 2 45 ? -15.941 11.669 -12.964 1.00 40.78 ? 45 PHE B CG 1 ATOM 2888 C CD1 . PHE B 2 45 ? -16.453 10.470 -12.474 1.00 41.21 ? 45 PHE B CD1 1 ATOM 2889 C CD2 . PHE B 2 45 ? -14.747 12.155 -12.440 1.00 42.50 ? 45 PHE B CD2 1 ATOM 2890 C CE1 . PHE B 2 45 ? -15.782 9.760 -11.480 1.00 42.28 ? 45 PHE B CE1 1 ATOM 2891 C CE2 . PHE B 2 45 ? -14.064 11.453 -11.441 1.00 42.10 ? 45 PHE B CE2 1 ATOM 2892 C CZ . PHE B 2 45 ? -14.589 10.254 -10.960 1.00 41.94 ? 45 PHE B CZ 1 ATOM 2893 N N . ASP B 2 46 ? -17.231 15.330 -12.839 1.00 38.51 ? 46 ASP B N 1 ATOM 2894 C CA . ASP B 2 46 ? -16.892 16.390 -11.879 1.00 38.26 ? 46 ASP B CA 1 ATOM 2895 C C . ASP B 2 46 ? -18.118 16.953 -11.156 1.00 37.53 ? 46 ASP B C 1 ATOM 2896 O O . ASP B 2 46 ? -18.074 17.191 -9.939 1.00 37.74 ? 46 ASP B O 1 ATOM 2897 C CB . ASP B 2 46 ? -16.082 17.498 -12.563 1.00 38.79 ? 46 ASP B CB 1 ATOM 2898 C CG . ASP B 2 46 ? -14.743 16.996 -13.098 1.00 40.40 ? 46 ASP B CG 1 ATOM 2899 O OD1 . ASP B 2 46 ? -14.218 15.992 -12.562 1.00 42.87 ? 46 ASP B OD1 1 ATOM 2900 O OD2 . ASP B 2 46 ? -14.209 17.606 -14.046 1.00 41.08 ? 46 ASP B OD2 1 ATOM 2901 N N . GLY B 2 47 ? -19.207 17.155 -11.895 1.00 36.53 ? 47 GLY B N 1 ATOM 2902 C CA . GLY B 2 47 ? -20.495 17.529 -11.310 1.00 35.79 ? 47 GLY B CA 1 ATOM 2903 C C . GLY B 2 47 ? -20.979 16.535 -10.264 1.00 35.78 ? 47 GLY B C 1 ATOM 2904 O O . GLY B 2 47 ? -21.372 16.919 -9.164 1.00 35.30 ? 47 GLY B O 1 ATOM 2905 N N . ILE B 2 48 ? -20.938 15.251 -10.613 1.00 35.47 ? 48 ILE B N 1 ATOM 2906 C CA . ILE B 2 48 ? -21.406 14.184 -9.725 1.00 35.32 ? 48 ILE B CA 1 ATOM 2907 C C . ILE B 2 48 ? -20.550 14.088 -8.457 1.00 35.64 ? 48 ILE B C 1 ATOM 2908 O O . ILE B 2 48 ? -21.090 13.947 -7.342 1.00 35.78 ? 48 ILE B O 1 ATOM 2909 C CB . ILE B 2 48 ? -21.475 12.827 -10.482 1.00 35.17 ? 48 ILE B CB 1 ATOM 2910 C CG1 . ILE B 2 48 ? -22.573 12.880 -11.553 1.00 34.60 ? 48 ILE B CG1 1 ATOM 2911 C CG2 . ILE B 2 48 ? -21.745 11.663 -9.538 1.00 35.49 ? 48 ILE B CG2 1 ATOM 2912 C CD1 . ILE B 2 48 ? -23.955 13.206 -11.012 1.00 33.84 ? 48 ILE B CD1 1 ATOM 2913 N N . THR B 2 49 ? -19.228 14.181 -8.634 1.00 36.13 ? 49 THR B N 1 ATOM 2914 C CA . THR B 2 49 ? -18.300 14.225 -7.490 1.00 36.82 ? 49 THR B CA 1 ATOM 2915 C C . THR B 2 49 ? -18.624 15.384 -6.547 1.00 37.10 ? 49 THR B C 1 ATOM 2916 O O . THR B 2 49 ? -18.666 15.209 -5.326 1.00 36.91 ? 49 THR B O 1 ATOM 2917 C CB . THR B 2 49 ? -16.842 14.337 -7.943 1.00 36.38 ? 49 THR B CB 1 ATOM 2918 O OG1 . THR B 2 49 ? -16.510 13.215 -8.766 1.00 38.03 ? 49 THR B OG1 1 ATOM 2919 C CG2 . THR B 2 49 ? -15.898 14.366 -6.725 1.00 36.39 ? 49 THR B CG2 1 ATOM 2920 N N . ASN B 2 50 ? -18.849 16.564 -7.119 1.00 37.74 ? 50 ASN B N 1 ATOM 2921 C CA . ASN B 2 50 ? -19.233 17.731 -6.331 1.00 38.15 ? 50 ASN B CA 1 ATOM 2922 C C . ASN B 2 50 ? -20.563 17.538 -5.587 1.00 37.71 ? 50 ASN B C 1 ATOM 2923 O O . ASN B 2 50 ? -20.712 17.965 -4.436 1.00 37.55 ? 50 ASN B O 1 ATOM 2924 C CB . ASN B 2 50 ? -19.276 18.988 -7.211 1.00 38.44 ? 50 ASN B CB 1 ATOM 2925 C CG . ASN B 2 50 ? -19.339 20.269 -6.391 1.00 41.07 ? 50 ASN B CG 1 ATOM 2926 O OD1 . ASN B 2 50 ? -20.387 20.921 -6.322 1.00 45.68 ? 50 ASN B OD1 1 ATOM 2927 N ND2 . ASN B 2 50 ? -18.227 20.621 -5.738 1.00 41.40 ? 50 ASN B ND2 1 ATOM 2928 N N . LYS B 2 51 ? -21.515 16.876 -6.238 1.00 37.08 ? 51 LYS B N 1 ATOM 2929 C CA . LYS B 2 51 ? -22.832 16.641 -5.666 1.00 37.19 ? 51 LYS B CA 1 ATOM 2930 C C . LYS B 2 51 ? -22.755 15.755 -4.424 1.00 37.39 ? 51 LYS B C 1 ATOM 2931 O O . LYS B 2 51 ? -23.362 16.062 -3.397 1.00 37.64 ? 51 LYS B O 1 ATOM 2932 C CB . LYS B 2 51 ? -23.769 15.996 -6.690 1.00 37.07 ? 51 LYS B CB 1 ATOM 2933 C CG . LYS B 2 51 ? -25.088 15.522 -6.092 1.00 37.37 ? 51 LYS B CG 1 ATOM 2934 C CD . LYS B 2 51 ? -25.971 14.830 -7.106 1.00 35.43 ? 51 LYS B CD 1 ATOM 2935 C CE . LYS B 2 51 ? -26.426 15.784 -8.221 1.00 36.59 ? 51 LYS B CE 1 ATOM 2936 N NZ . LYS B 2 51 ? -27.811 15.464 -8.646 1.00 34.84 ? 51 LYS B NZ 1 ATOM 2937 N N . VAL B 2 52 ? -22.028 14.645 -4.538 1.00 37.91 ? 52 VAL B N 1 ATOM 2938 C CA . VAL B 2 52 ? -21.928 13.696 -3.430 1.00 38.30 ? 52 VAL B CA 1 ATOM 2939 C C . VAL B 2 52 ? -21.248 14.352 -2.233 1.00 38.51 ? 52 VAL B C 1 ATOM 2940 O O . VAL B 2 52 ? -21.696 14.177 -1.110 1.00 38.78 ? 52 VAL B O 1 ATOM 2941 C CB . VAL B 2 52 ? -21.230 12.365 -3.806 1.00 38.57 ? 52 VAL B CB 1 ATOM 2942 C CG1 . VAL B 2 52 ? -22.031 11.629 -4.873 1.00 38.37 ? 52 VAL B CG1 1 ATOM 2943 C CG2 . VAL B 2 52 ? -19.789 12.582 -4.268 1.00 40.04 ? 52 VAL B CG2 1 ATOM 2944 N N . ASN B 2 53 ? -20.199 15.131 -2.499 1.00 38.97 ? 53 ASN B N 1 ATOM 2945 C CA . ASN B 2 53 ? -19.519 15.892 -1.451 1.00 39.31 ? 53 ASN B CA 1 ATOM 2946 C C . ASN B 2 53 ? -20.410 16.934 -0.801 1.00 39.96 ? 53 ASN B C 1 ATOM 2947 O O . ASN B 2 53 ? -20.387 17.091 0.419 1.00 39.46 ? 53 ASN B O 1 ATOM 2948 C CB . ASN B 2 53 ? -18.251 16.544 -1.988 1.00 39.31 ? 53 ASN B CB 1 ATOM 2949 C CG . ASN B 2 53 ? -17.183 15.529 -2.327 1.00 40.47 ? 53 ASN B CG 1 ATOM 2950 O OD1 . ASN B 2 53 ? -17.203 14.401 -1.823 1.00 43.47 ? 53 ASN B OD1 1 ATOM 2951 N ND2 . ASN B 2 53 ? -16.238 15.922 -3.168 1.00 39.06 ? 53 ASN B ND2 1 ATOM 2952 N N . SER B 2 54 ? -21.203 17.633 -1.609 1.00 40.52 ? 54 SER B N 1 ATOM 2953 C CA . SER B 2 54 ? -22.122 18.652 -1.090 1.00 41.54 ? 54 SER B CA 1 ATOM 2954 C C . SER B 2 54 ? -23.202 18.075 -0.178 1.00 42.35 ? 54 SER B C 1 ATOM 2955 O O . SER B 2 54 ? -23.526 18.665 0.858 1.00 42.10 ? 54 SER B O 1 ATOM 2956 C CB . SER B 2 54 ? -22.764 19.441 -2.239 1.00 41.15 ? 54 SER B CB 1 ATOM 2957 O OG . SER B 2 54 ? -21.767 20.080 -3.020 1.00 41.61 ? 54 SER B OG 1 ATOM 2958 N N . VAL B 2 55 ? -23.765 16.931 -0.568 1.00 43.22 ? 55 VAL B N 1 ATOM 2959 C CA . VAL B 2 55 ? -24.830 16.309 0.215 1.00 44.42 ? 55 VAL B CA 1 ATOM 2960 C C . VAL B 2 55 ? -24.247 15.854 1.556 1.00 44.91 ? 55 VAL B C 1 ATOM 2961 O O . VAL B 2 55 ? -24.798 16.175 2.607 1.00 44.70 ? 55 VAL B O 1 ATOM 2962 C CB . VAL B 2 55 ? -25.598 15.167 -0.560 1.00 44.72 ? 55 VAL B CB 1 ATOM 2963 C CG1 . VAL B 2 55 ? -26.298 15.728 -1.791 1.00 44.98 ? 55 VAL B CG1 1 ATOM 2964 C CG2 . VAL B 2 55 ? -24.670 14.045 -0.972 1.00 45.94 ? 55 VAL B CG2 1 ATOM 2965 N N . ILE B 2 56 ? -23.107 15.166 1.506 1.00 45.38 ? 56 ILE B N 1 ATOM 2966 C CA . ILE B 2 56 ? -22.374 14.755 2.712 1.00 46.26 ? 56 ILE B CA 1 ATOM 2967 C C . ILE B 2 56 ? -22.018 15.949 3.610 1.00 47.30 ? 56 ILE B C 1 ATOM 2968 O O . ILE B 2 56 ? -22.252 15.911 4.826 1.00 47.53 ? 56 ILE B O 1 ATOM 2969 C CB . ILE B 2 56 ? -21.099 13.945 2.339 1.00 45.95 ? 56 ILE B CB 1 ATOM 2970 C CG1 . ILE B 2 56 ? -21.490 12.552 1.830 1.00 45.85 ? 56 ILE B CG1 1 ATOM 2971 C CG2 . ILE B 2 56 ? -20.111 13.862 3.515 1.00 45.24 ? 56 ILE B CG2 1 ATOM 2972 C CD1 . ILE B 2 56 ? -20.349 11.759 1.217 1.00 45.93 ? 56 ILE B CD1 1 ATOM 2973 N N . GLU B 2 57 ? -21.472 17.005 3.008 1.00 48.74 ? 57 GLU B N 1 ATOM 2974 C CA . GLU B 2 57 ? -20.973 18.171 3.756 1.00 50.40 ? 57 GLU B CA 1 ATOM 2975 C C . GLU B 2 57 ? -22.054 18.972 4.494 1.00 51.30 ? 57 GLU B C 1 ATOM 2976 O O . GLU B 2 57 ? -21.789 19.525 5.567 1.00 50.99 ? 57 GLU B O 1 ATOM 2977 C CB . GLU B 2 57 ? -20.140 19.089 2.853 1.00 50.35 ? 57 GLU B CB 1 ATOM 2978 C CG . GLU B 2 57 ? -18.722 18.578 2.596 1.00 51.02 ? 57 GLU B CG 1 ATOM 2979 C CD . GLU B 2 57 ? -18.009 19.289 1.447 1.00 51.54 ? 57 GLU B CD 1 ATOM 2980 O OE1 . GLU B 2 57 ? -18.642 20.106 0.733 1.00 53.05 ? 57 GLU B OE1 1 ATOM 2981 O OE2 . GLU B 2 57 ? -16.801 19.022 1.255 1.00 52.48 ? 57 GLU B OE2 1 ATOM 2982 N N . LYS B 2 58 ? -23.265 19.014 3.939 1.00 52.38 ? 58 LYS B N 1 ATOM 2983 C CA . LYS B 2 58 ? -24.359 19.769 4.559 1.00 53.75 ? 58 LYS B CA 1 ATOM 2984 C C . LYS B 2 58 ? -24.896 19.110 5.837 1.00 55.02 ? 58 LYS B C 1 ATOM 2985 O O . LYS B 2 58 ? -25.581 19.756 6.642 1.00 54.81 ? 58 LYS B O 1 ATOM 2986 C CB . LYS B 2 58 ? -25.486 20.056 3.556 1.00 53.74 ? 58 LYS B CB 1 ATOM 2987 C CG . LYS B 2 58 ? -25.139 21.119 2.510 1.00 53.72 ? 58 LYS B CG 1 ATOM 2988 C CD . LYS B 2 58 ? -24.806 22.467 3.145 1.00 53.32 ? 58 LYS B CD 1 ATOM 2989 C CE . LYS B 2 58 ? -23.650 23.131 2.424 1.00 52.74 ? 58 LYS B CE 1 ATOM 2990 N NZ . LYS B 2 58 ? -23.294 24.456 2.990 1.00 52.35 ? 58 LYS B NZ 1 ATOM 2991 N N . MET B 2 59 ? -24.559 17.835 6.029 1.00 56.43 ? 59 MET B N 1 ATOM 2992 C CA . MET B 2 59 ? -24.919 17.109 7.251 1.00 58.10 ? 59 MET B CA 1 ATOM 2993 C C . MET B 2 59 ? -23.682 16.727 8.067 1.00 58.36 ? 59 MET B C 1 ATOM 2994 O O . MET B 2 59 ? -23.512 15.568 8.456 1.00 58.81 ? 59 MET B O 1 ATOM 2995 C CB . MET B 2 59 ? -25.788 15.890 6.915 1.00 57.92 ? 59 MET B CB 1 ATOM 2996 C CG . MET B 2 59 ? -27.128 16.282 6.290 1.00 58.72 ? 59 MET B CG 1 ATOM 2997 S SD . MET B 2 59 ? -28.014 14.994 5.398 1.00 60.19 ? 59 MET B SD 1 ATOM 2998 C CE . MET B 2 59 ? -26.873 14.615 4.072 1.00 60.75 ? 59 MET B CE 1 ATOM 2999 N N . ASN B 2 60 ? -22.831 17.722 8.328 1.00 58.86 ? 60 ASN B N 1 ATOM 3000 C CA . ASN B 2 60 ? -21.586 17.528 9.085 1.00 59.10 ? 60 ASN B CA 1 ATOM 3001 C C . ASN B 2 60 ? -21.618 18.039 10.531 1.00 59.03 ? 60 ASN B C 1 ATOM 3002 O O . ASN B 2 60 ? -20.905 17.512 11.395 1.00 59.22 ? 60 ASN B O 1 ATOM 3003 C CB . ASN B 2 60 ? -20.388 18.114 8.329 1.00 59.23 ? 60 ASN B CB 1 ATOM 3004 C CG . ASN B 2 60 ? -19.857 17.175 7.251 1.00 59.91 ? 60 ASN B CG 1 ATOM 3005 O OD1 . ASN B 2 60 ? -20.297 16.026 7.131 1.00 60.61 ? 60 ASN B OD1 1 ATOM 3006 N ND2 . ASN B 2 60 ? -18.898 17.662 6.464 1.00 59.94 ? 60 ASN B ND2 1 ATOM 3007 N N . THR B 2 61 ? -22.426 19.067 10.790 1.00 58.82 ? 61 THR B N 1 ATOM 3008 C CA . THR B 2 61 ? -22.703 19.489 12.173 1.00 58.64 ? 61 THR B CA 1 ATOM 3009 C C . THR B 2 61 ? -24.082 18.991 12.638 1.00 58.15 ? 61 THR B C 1 ATOM 3010 O O . THR B 2 61 ? -24.690 19.550 13.558 1.00 58.50 ? 61 THR B O 1 ATOM 3011 C CB . THR B 2 61 ? -22.529 21.019 12.395 1.00 58.67 ? 61 THR B CB 1 ATOM 3012 O OG1 . THR B 2 61 ? -23.017 21.742 11.258 1.00 59.38 ? 61 THR B OG1 1 ATOM 3013 C CG2 . THR B 2 61 ? -21.059 21.362 12.618 1.00 59.01 ? 61 THR B CG2 1 ATOM 3014 N N . GLN B 2 62 ? -24.545 17.927 11.976 1.00 57.30 ? 62 GLN B N 1 ATOM 3015 C CA . GLN B 2 62 ? -25.722 17.133 12.353 1.00 56.30 ? 62 GLN B CA 1 ATOM 3016 C C . GLN B 2 62 ? -25.726 16.770 13.852 1.00 55.18 ? 62 GLN B C 1 ATOM 3017 O O . GLN B 2 62 ? -24.663 16.630 14.461 1.00 55.47 ? 62 GLN B O 1 ATOM 3018 C CB . GLN B 2 62 ? -25.755 15.877 11.465 1.00 56.31 ? 62 GLN B CB 1 ATOM 3019 C CG . GLN B 2 62 ? -26.733 14.774 11.857 1.00 56.81 ? 62 GLN B CG 1 ATOM 3020 C CD . GLN B 2 62 ? -26.950 13.742 10.755 1.00 56.75 ? 62 GLN B CD 1 ATOM 3021 O OE1 . GLN B 2 62 ? -26.671 13.993 9.576 1.00 57.90 ? 62 GLN B OE1 1 ATOM 3022 N NE2 . GLN B 2 62 ? -27.462 12.576 11.135 1.00 56.71 ? 62 GLN B NE2 1 ATOM 3023 N N . PHE B 2 63 ? -26.922 16.625 14.430 1.00 53.75 ? 63 PHE B N 1 ATOM 3024 C CA . PHE B 2 63 ? -27.106 16.387 15.878 1.00 51.99 ? 63 PHE B CA 1 ATOM 3025 C C . PHE B 2 63 ? -26.460 15.097 16.397 1.00 51.14 ? 63 PHE B C 1 ATOM 3026 O O . PHE B 2 63 ? -26.438 14.073 15.706 1.00 50.99 ? 63 PHE B O 1 ATOM 3027 C CB . PHE B 2 63 ? -28.597 16.395 16.242 1.00 51.82 ? 63 PHE B CB 1 ATOM 3028 C CG . PHE B 2 63 ? -28.874 16.324 17.730 1.00 51.76 ? 63 PHE B CG 1 ATOM 3029 C CD1 . PHE B 2 63 ? -28.830 17.478 18.519 1.00 51.63 ? 63 PHE B CD1 1 ATOM 3030 C CD2 . PHE B 2 63 ? -29.195 15.105 18.343 1.00 51.35 ? 63 PHE B CD2 1 ATOM 3031 C CE1 . PHE B 2 63 ? -29.092 17.419 19.896 1.00 50.18 ? 63 PHE B CE1 1 ATOM 3032 C CE2 . PHE B 2 63 ? -29.459 15.038 19.718 1.00 50.68 ? 63 PHE B CE2 1 ATOM 3033 C CZ . PHE B 2 63 ? -29.407 16.196 20.494 1.00 49.84 ? 63 PHE B CZ 1 ATOM 3034 N N . GLU B 2 64 ? -25.941 15.166 17.620 1.00 49.51 ? 64 GLU B N 1 ATOM 3035 C CA . GLU B 2 64 ? -25.394 13.999 18.301 1.00 48.33 ? 64 GLU B CA 1 ATOM 3036 C C . GLU B 2 64 ? -26.104 13.816 19.639 1.00 47.00 ? 64 GLU B C 1 ATOM 3037 O O . GLU B 2 64 ? -26.214 14.763 20.425 1.00 46.86 ? 64 GLU B O 1 ATOM 3038 C CB . GLU B 2 64 ? -23.894 14.162 18.564 1.00 48.51 ? 64 GLU B CB 1 ATOM 3039 C CG . GLU B 2 64 ? -23.063 14.722 17.414 1.00 49.03 ? 64 GLU B CG 1 ATOM 3040 C CD . GLU B 2 64 ? -21.691 15.200 17.878 1.00 49.23 ? 64 GLU B CD 1 ATOM 3041 O OE1 . GLU B 2 64 ? -21.291 14.870 19.020 1.00 49.43 ? 64 GLU B OE1 1 ATOM 3042 O OE2 . GLU B 2 64 ? -21.012 15.906 17.102 1.00 50.38 ? 64 GLU B OE2 1 ATOM 3043 N N . ALA B 2 65 ? -26.575 12.597 19.896 1.00 45.16 ? 65 ALA B N 1 ATOM 3044 C CA . ALA B 2 65 ? -27.132 12.237 21.198 1.00 43.72 ? 65 ALA B CA 1 ATOM 3045 C C . ALA B 2 65 ? -26.016 12.164 22.245 1.00 42.94 ? 65 ALA B C 1 ATOM 3046 O O . ALA B 2 65 ? -24.902 11.719 21.944 1.00 43.18 ? 65 ALA B O 1 ATOM 3047 C CB . ALA B 2 65 ? -27.869 10.912 21.112 1.00 43.33 ? 65 ALA B CB 1 ATOM 3048 N N . VAL B 2 66 ? -26.322 12.613 23.461 1.00 41.47 ? 66 VAL B N 1 ATOM 3049 C CA . VAL B 2 66 ? -25.360 12.645 24.567 1.00 40.20 ? 66 VAL B CA 1 ATOM 3050 C C . VAL B 2 66 ? -26.000 11.939 25.760 1.00 38.89 ? 66 VAL B C 1 ATOM 3051 O O . VAL B 2 66 ? -27.052 12.376 26.251 1.00 39.53 ? 66 VAL B O 1 ATOM 3052 C CB . VAL B 2 66 ? -24.955 14.120 24.932 1.00 40.42 ? 66 VAL B CB 1 ATOM 3053 C CG1 . VAL B 2 66 ? -24.471 14.246 26.385 1.00 40.77 ? 66 VAL B CG1 1 ATOM 3054 C CG2 . VAL B 2 66 ? -23.908 14.648 23.959 1.00 40.55 ? 66 VAL B CG2 1 ATOM 3055 N N . GLY B 2 67 ? -25.384 10.852 26.221 1.00 36.39 ? 67 GLY B N 1 ATOM 3056 C CA . GLY B 2 67 ? -25.947 10.051 27.302 1.00 33.98 ? 67 GLY B CA 1 ATOM 3057 C C . GLY B 2 67 ? -26.086 10.803 28.624 1.00 32.26 ? 67 GLY B C 1 ATOM 3058 O O . GLY B 2 67 ? -25.110 11.335 29.132 1.00 33.23 ? 67 GLY B O 1 ATOM 3059 N N . LYS B 2 68 ? -27.301 10.860 29.169 1.00 29.82 ? 68 LYS B N 1 ATOM 3060 C CA . LYS B 2 68 ? -27.582 11.463 30.479 1.00 27.78 ? 68 LYS B CA 1 ATOM 3061 C C . LYS B 2 68 ? -28.528 10.539 31.232 1.00 25.90 ? 68 LYS B C 1 ATOM 3062 O O . LYS B 2 68 ? -29.280 9.803 30.581 1.00 27.08 ? 68 LYS B O 1 ATOM 3063 C CB . LYS B 2 68 ? -28.295 12.822 30.345 1.00 27.60 ? 68 LYS B CB 1 ATOM 3064 C CG . LYS B 2 68 ? -27.422 13.980 29.953 1.00 31.02 ? 68 LYS B CG 1 ATOM 3065 C CD . LYS B 2 68 ? -28.301 15.224 29.829 1.00 32.44 ? 68 LYS B CD 1 ATOM 3066 C CE . LYS B 2 68 ? -27.551 16.325 29.136 1.00 34.49 ? 68 LYS B CE 1 ATOM 3067 N NZ . LYS B 2 68 ? -27.248 16.005 27.720 1.00 35.23 ? 68 LYS B NZ 1 ATOM 3068 N N . GLU B 2 69 ? -28.508 10.603 32.551 1.00 23.78 ? 69 GLU B N 1 ATOM 3069 C CA . GLU B 2 69 ? -29.428 9.824 33.377 1.00 22.88 ? 69 GLU B CA 1 ATOM 3070 C C . GLU B 2 69 ? -30.294 10.680 34.279 1.00 22.99 ? 69 GLU B C 1 ATOM 3071 O O . GLU B 2 69 ? -29.942 11.797 34.611 1.00 21.61 ? 69 GLU B O 1 ATOM 3072 C CB . GLU B 2 69 ? -28.657 8.764 34.164 1.00 25.19 ? 69 GLU B CB 1 ATOM 3073 C CG . GLU B 2 69 ? -27.890 7.851 33.194 1.00 27.38 ? 69 GLU B CG 1 ATOM 3074 C CD . GLU B 2 69 ? -27.058 6.787 33.880 1.00 30.06 ? 69 GLU B CD 1 ATOM 3075 O OE1 . GLU B 2 69 ? -27.590 6.100 34.760 1.00 35.58 ? 69 GLU B OE1 1 ATOM 3076 O OE2 . GLU B 2 69 ? -25.878 6.618 33.479 1.00 36.83 ? 69 GLU B OE2 1 ATOM 3077 N N . PHE B 2 70 ? -31.436 10.138 34.696 1.00 22.19 ? 70 PHE B N 1 ATOM 3078 C CA . PHE B 2 70 ? -32.436 10.873 35.434 1.00 22.18 ? 70 PHE B CA 1 ATOM 3079 C C . PHE B 2 70 ? -33.020 10.024 36.541 1.00 23.73 ? 70 PHE B C 1 ATOM 3080 O O . PHE B 2 70 ? -33.108 8.794 36.371 1.00 27.22 ? 70 PHE B O 1 ATOM 3081 C CB . PHE B 2 70 ? -33.557 11.286 34.460 1.00 22.25 ? 70 PHE B CB 1 ATOM 3082 C CG . PHE B 2 70 ? -33.050 12.081 33.311 1.00 21.61 ? 70 PHE B CG 1 ATOM 3083 C CD1 . PHE B 2 70 ? -32.917 13.468 33.428 1.00 20.86 ? 70 PHE B CD1 1 ATOM 3084 C CD2 . PHE B 2 70 ? -32.633 11.467 32.128 1.00 20.44 ? 70 PHE B CD2 1 ATOM 3085 C CE1 . PHE B 2 70 ? -32.387 14.196 32.368 1.00 21.98 ? 70 PHE B CE1 1 ATOM 3086 C CE2 . PHE B 2 70 ? -32.092 12.199 31.088 1.00 21.64 ? 70 PHE B CE2 1 ATOM 3087 C CZ . PHE B 2 70 ? -31.986 13.576 31.210 1.00 24.23 ? 70 PHE B CZ 1 ATOM 3088 N N . SER B 2 71 ? -33.408 10.657 37.638 1.00 23.25 ? 71 SER B N 1 ATOM 3089 C CA . SER B 2 71 ? -33.994 9.949 38.797 1.00 24.53 ? 71 SER B CA 1 ATOM 3090 C C . SER B 2 71 ? -35.450 9.537 38.522 1.00 25.00 ? 71 SER B C 1 ATOM 3091 O O . SER B 2 71 ? -36.051 9.947 37.542 1.00 24.77 ? 71 SER B O 1 ATOM 3092 C CB . SER B 2 71 ? -33.925 10.778 40.081 1.00 23.42 ? 71 SER B CB 1 ATOM 3093 O OG . SER B 2 71 ? -34.948 11.742 40.156 1.00 27.08 ? 71 SER B OG 1 ATOM 3094 N N . ASN B 2 72 ? -36.006 8.730 39.421 1.00 27.40 ? 72 ASN B N 1 ATOM 3095 C CA . ASN B 2 72 ? -37.417 8.372 39.322 1.00 28.27 ? 72 ASN B CA 1 ATOM 3096 C C . ASN B 2 72 ? -38.339 9.549 39.631 1.00 28.22 ? 72 ASN B C 1 ATOM 3097 O O . ASN B 2 72 ? -39.550 9.467 39.361 1.00 28.74 ? 72 ASN B O 1 ATOM 3098 C CB . ASN B 2 72 ? -37.734 7.140 40.214 1.00 29.15 ? 72 ASN B CB 1 ATOM 3099 C CG . ASN B 2 72 ? -37.605 7.425 41.682 1.00 34.37 ? 72 ASN B CG 1 ATOM 3100 O OD1 . ASN B 2 72 ? -37.049 8.450 42.106 1.00 38.13 ? 72 ASN B OD1 1 ATOM 3101 N ND2 . ASN B 2 72 ? -38.124 6.505 42.497 1.00 35.55 ? 72 ASN B ND2 1 ATOM 3102 N N . LEU B 2 73 ? -37.777 10.650 40.158 1.00 26.01 ? 73 LEU B N 1 ATOM 3103 C CA . LEU B 2 73 ? -38.517 11.883 40.374 1.00 26.34 ? 73 LEU B CA 1 ATOM 3104 C C . LEU B 2 73 ? -38.218 12.948 39.295 1.00 23.41 ? 73 LEU B C 1 ATOM 3105 O O . LEU B 2 73 ? -38.561 14.133 39.503 1.00 24.60 ? 73 LEU B O 1 ATOM 3106 C CB . LEU B 2 73 ? -38.242 12.461 41.769 1.00 27.54 ? 73 LEU B CB 1 ATOM 3107 C CG . LEU B 2 73 ? -39.039 11.980 43.000 1.00 30.07 ? 73 LEU B CG 1 ATOM 3108 C CD1 . LEU B 2 73 ? -38.730 10.526 43.374 1.00 34.64 ? 73 LEU B CD1 1 ATOM 3109 C CD2 . LEU B 2 73 ? -38.707 12.876 44.159 1.00 29.38 ? 73 LEU B CD2 1 ATOM 3110 N N . GLU B 2 74 ? -37.592 12.545 38.175 1.00 20.96 ? 74 GLU B N 1 ATOM 3111 C CA . GLU B 2 74 ? -37.257 13.447 37.084 1.00 19.62 ? 74 GLU B CA 1 ATOM 3112 C C . GLU B 2 74 ? -37.773 12.846 35.763 1.00 17.82 ? 74 GLU B C 1 ATOM 3113 O O . GLU B 2 74 ? -37.157 12.894 34.688 1.00 17.49 ? 74 GLU B O 1 ATOM 3114 C CB . GLU B 2 74 ? -35.736 13.614 37.014 1.00 19.40 ? 74 GLU B CB 1 ATOM 3115 C CG . GLU B 2 74 ? -35.191 14.326 38.185 1.00 21.68 ? 74 GLU B CG 1 ATOM 3116 C CD . GLU B 2 74 ? -33.677 14.432 38.122 1.00 24.90 ? 74 GLU B CD 1 ATOM 3117 O OE1 . GLU B 2 74 ? -33.027 13.422 37.739 1.00 23.39 ? 74 GLU B OE1 1 ATOM 3118 O OE2 . GLU B 2 74 ? -33.170 15.531 38.463 1.00 25.51 ? 74 GLU B OE2 1 ATOM 3119 N N . ARG B 2 75 ? -38.983 12.270 35.828 1.00 19.04 ? 75 ARG B N 1 ATOM 3120 C CA . ARG B 2 75 ? -39.543 11.678 34.628 1.00 18.88 ? 75 ARG B CA 1 ATOM 3121 C C . ARG B 2 75 ? -39.954 12.664 33.507 1.00 16.41 ? 75 ARG B C 1 ATOM 3122 O O . ARG B 2 75 ? -39.860 12.375 32.344 1.00 17.92 ? 75 ARG B O 1 ATOM 3123 C CB . ARG B 2 75 ? -40.714 10.740 34.986 1.00 20.28 ? 75 ARG B CB 1 ATOM 3124 C CG . ARG B 2 75 ? -40.317 9.644 35.985 1.00 24.34 ? 75 ARG B CG 1 ATOM 3125 C CD . ARG B 2 75 ? -39.347 8.688 35.300 1.00 32.70 ? 75 ARG B CD 1 ATOM 3126 N NE . ARG B 2 75 ? -39.224 7.425 36.029 1.00 41.00 ? 75 ARG B NE 1 ATOM 3127 C CZ . ARG B 2 75 ? -38.117 6.686 36.055 1.00 43.95 ? 75 ARG B CZ 1 ATOM 3128 N NH1 . ARG B 2 75 ? -37.028 7.104 35.416 1.00 47.10 ? 75 ARG B NH1 1 ATOM 3129 N NH2 . ARG B 2 75 ? -38.088 5.547 36.748 1.00 43.91 ? 75 ARG B NH2 1 ATOM 3130 N N . ARG B 2 76 ? -40.382 13.872 33.905 1.00 17.93 ? 76 ARG B N 1 ATOM 3131 C CA . ARG B 2 76 ? -40.691 14.856 32.875 1.00 16.18 ? 76 ARG B CA 1 ATOM 3132 C C . ARG B 2 76 ? -39.422 15.293 32.144 1.00 16.46 ? 76 ARG B C 1 ATOM 3133 O O . ARG B 2 76 ? -39.396 15.382 30.938 1.00 17.81 ? 76 ARG B O 1 ATOM 3134 C CB . ARG B 2 76 ? -41.369 16.116 33.429 1.00 16.05 ? 76 ARG B CB 1 ATOM 3135 C CG . ARG B 2 76 ? -42.784 15.871 34.061 1.00 16.56 ? 76 ARG B CG 1 ATOM 3136 C CD . ARG B 2 76 ? -43.247 17.041 34.842 1.00 14.85 ? 76 ARG B CD 1 ATOM 3137 N NE . ARG B 2 76 ? -42.370 17.233 35.974 1.00 14.81 ? 76 ARG B NE 1 ATOM 3138 C CZ . ARG B 2 76 ? -42.087 18.385 36.571 1.00 15.58 ? 76 ARG B CZ 1 ATOM 3139 N NH1 . ARG B 2 76 ? -42.699 19.494 36.156 1.00 21.30 ? 76 ARG B NH1 1 ATOM 3140 N NH2 . ARG B 2 76 ? -41.208 18.423 37.546 1.00 18.36 ? 76 ARG B NH2 1 ATOM 3141 N N . LEU B 2 77 ? -38.383 15.545 32.971 1.00 17.58 ? 77 LEU B N 1 ATOM 3142 C CA . LEU B 2 77 ? -37.098 15.944 32.380 1.00 18.00 ? 77 LEU B CA 1 ATOM 3143 C C . LEU B 2 77 ? -36.512 14.824 31.494 1.00 17.92 ? 77 LEU B C 1 ATOM 3144 O O . LEU B 2 77 ? -35.994 15.103 30.438 1.00 17.31 ? 77 LEU B O 1 ATOM 3145 C CB . LEU B 2 77 ? -36.126 16.354 33.497 1.00 18.35 ? 77 LEU B CB 1 ATOM 3146 C CG . LEU B 2 77 ? -34.740 16.818 33.021 1.00 20.09 ? 77 LEU B CG 1 ATOM 3147 C CD1 . LEU B 2 77 ? -34.817 18.078 32.173 1.00 24.42 ? 77 LEU B CD1 1 ATOM 3148 C CD2 . LEU B 2 77 ? -33.911 17.023 34.263 1.00 20.77 ? 77 LEU B CD2 1 ATOM 3149 N N . GLU B 2 78 ? -36.594 13.575 31.972 1.00 18.55 ? 78 GLU B N 1 ATOM 3150 C CA . GLU B 2 78 ? -36.188 12.434 31.166 1.00 19.88 ? 78 GLU B CA 1 ATOM 3151 C C . GLU B 2 78 ? -36.950 12.395 29.846 1.00 19.24 ? 78 GLU B C 1 ATOM 3152 O O . GLU B 2 78 ? -36.394 12.187 28.767 1.00 19.87 ? 78 GLU B O 1 ATOM 3153 C CB . GLU B 2 78 ? -36.417 11.149 31.944 1.00 20.80 ? 78 GLU B CB 1 ATOM 3154 C CG . GLU B 2 78 ? -35.873 9.942 31.208 1.00 24.49 ? 78 GLU B CG 1 ATOM 3155 C CD . GLU B 2 78 ? -36.293 8.635 31.842 1.00 31.80 ? 78 GLU B CD 1 ATOM 3156 O OE1 . GLU B 2 78 ? -37.056 8.643 32.834 1.00 35.91 ? 78 GLU B OE1 1 ATOM 3157 O OE2 . GLU B 2 78 ? -35.876 7.575 31.322 1.00 37.98 ? 78 GLU B OE2 1 ATOM 3158 N N . ASN B 2 79 ? -38.262 12.621 29.927 1.00 20.27 ? 79 ASN B N 1 ATOM 3159 C CA . ASN B 2 79 ? -39.057 12.566 28.718 1.00 20.44 ? 79 ASN B CA 1 ATOM 3160 C C . ASN B 2 79 ? -38.734 13.704 27.736 1.00 19.78 ? 79 ASN B C 1 ATOM 3161 O O . ASN B 2 79 ? -38.684 13.503 26.545 1.00 20.81 ? 79 ASN B O 1 ATOM 3162 C CB . ASN B 2 79 ? -40.555 12.522 29.093 1.00 20.60 ? 79 ASN B CB 1 ATOM 3163 C CG . ASN B 2 79 ? -41.446 12.218 27.901 1.00 26.41 ? 79 ASN B CG 1 ATOM 3164 O OD1 . ASN B 2 79 ? -42.117 13.103 27.370 1.00 29.92 ? 79 ASN B OD1 1 ATOM 3165 N ND2 . ASN B 2 79 ? -41.386 10.978 27.418 1.00 32.98 ? 79 ASN B ND2 1 ATOM 3166 N N . LEU B 2 80 ? -38.458 14.877 28.287 1.00 19.11 ? 80 LEU B N 1 ATOM 3167 C CA . LEU B 2 80 ? -38.065 16.018 27.509 1.00 20.41 ? 80 LEU B CA 1 ATOM 3168 C C . LEU B 2 80 ? -36.774 15.692 26.792 1.00 21.08 ? 80 LEU B C 1 ATOM 3169 O O . LEU B 2 80 ? -36.652 15.933 25.612 1.00 21.40 ? 80 LEU B O 1 ATOM 3170 C CB . LEU B 2 80 ? -37.875 17.208 28.458 1.00 21.07 ? 80 LEU B CB 1 ATOM 3171 C CG . LEU B 2 80 ? -37.776 18.567 27.790 1.00 24.92 ? 80 LEU B CG 1 ATOM 3172 C CD1 . LEU B 2 80 ? -37.828 19.656 28.825 1.00 29.22 ? 80 LEU B CD1 1 ATOM 3173 C CD2 . LEU B 2 80 ? -36.525 18.689 26.987 1.00 30.63 ? 80 LEU B CD2 1 ATOM 3174 N N . ASN B 2 81 ? -35.830 15.099 27.520 1.00 20.72 ? 81 ASN B N 1 ATOM 3175 C CA . ASN B 2 81 ? -34.537 14.794 26.939 1.00 22.72 ? 81 ASN B CA 1 ATOM 3176 C C . ASN B 2 81 ? -34.685 13.797 25.821 1.00 22.47 ? 81 ASN B C 1 ATOM 3177 O O . ASN B 2 81 ? -34.041 13.926 24.778 1.00 23.35 ? 81 ASN B O 1 ATOM 3178 C CB . ASN B 2 81 ? -33.600 14.244 28.012 1.00 21.99 ? 81 ASN B CB 1 ATOM 3179 C CG . ASN B 2 81 ? -32.170 14.082 27.500 1.00 26.34 ? 81 ASN B CG 1 ATOM 3180 O OD1 . ASN B 2 81 ? -31.683 12.967 27.359 1.00 30.97 ? 81 ASN B OD1 1 ATOM 3181 N ND2 . ASN B 2 81 ? -31.507 15.201 27.238 1.00 27.19 ? 81 ASN B ND2 1 ATOM 3182 N N . LYS B 2 82 ? -35.515 12.787 26.046 1.00 22.78 ? 82 LYS B N 1 ATOM 3183 C CA . LYS B 2 82 ? -35.767 11.745 25.062 1.00 25.56 ? 82 LYS B CA 1 ATOM 3184 C C . LYS B 2 82 ? -36.454 12.314 23.823 1.00 25.39 ? 82 LYS B C 1 ATOM 3185 O O . LYS B 2 82 ? -36.028 12.060 22.687 1.00 25.42 ? 82 LYS B O 1 ATOM 3186 C CB . LYS B 2 82 ? -36.622 10.634 25.678 1.00 26.74 ? 82 LYS B CB 1 ATOM 3187 C CG . LYS B 2 82 ? -37.013 9.542 24.661 1.00 31.57 ? 82 LYS B CG 1 ATOM 3188 C CD . LYS B 2 82 ? -38.184 8.702 25.176 1.00 37.07 ? 82 LYS B CD 1 ATOM 3189 C CE . LYS B 2 82 ? -38.454 7.506 24.281 1.00 41.05 ? 82 LYS B CE 1 ATOM 3190 N NZ . LYS B 2 82 ? -39.737 6.845 24.650 1.00 44.17 ? 82 LYS B NZ 1 ATOM 3191 N N . LYS B 2 83 ? -37.514 13.089 24.039 1.00 25.00 ? 83 LYS B N 1 ATOM 3192 C CA . LYS B 2 83 ? -38.222 13.700 22.909 1.00 25.88 ? 83 LYS B CA 1 ATOM 3193 C C . LYS B 2 83 ? -37.313 14.622 22.116 1.00 25.56 ? 83 LYS B C 1 ATOM 3194 O O . LYS B 2 83 ? -37.459 14.758 20.899 1.00 25.91 ? 83 LYS B O 1 ATOM 3195 C CB . LYS B 2 83 ? -39.434 14.480 23.395 1.00 25.60 ? 83 LYS B CB 1 ATOM 3196 C CG . LYS B 2 83 ? -40.542 13.619 24.018 1.00 30.67 ? 83 LYS B CG 1 ATOM 3197 C CD . LYS B 2 83 ? -41.367 12.856 23.006 1.00 37.68 ? 83 LYS B CD 1 ATOM 3198 C CE . LYS B 2 83 ? -42.247 13.803 22.205 1.00 40.58 ? 83 LYS B CE 1 ATOM 3199 N NZ . LYS B 2 83 ? -43.426 13.088 21.637 1.00 43.38 ? 83 LYS B NZ 1 ATOM 3200 N N . MET B 2 84 ? -36.379 15.276 22.795 1.00 24.51 ? 84 MET B N 1 ATOM 3201 C CA . MET B 2 84 ? -35.449 16.160 22.107 1.00 27.41 ? 84 MET B CA 1 ATOM 3202 C C . MET B 2 84 ? -34.483 15.383 21.230 1.00 27.04 ? 84 MET B C 1 ATOM 3203 O O . MET B 2 84 ? -34.269 15.691 20.049 1.00 27.13 ? 84 MET B O 1 ATOM 3204 C CB . MET B 2 84 ? -34.637 16.972 23.102 1.00 25.82 ? 84 MET B CB 1 ATOM 3205 C CG . MET B 2 84 ? -33.816 17.966 22.365 1.00 30.33 ? 84 MET B CG 1 ATOM 3206 S SD . MET B 2 84 ? -32.723 18.819 23.407 1.00 36.37 ? 84 MET B SD 1 ATOM 3207 C CE . MET B 2 84 ? -31.614 17.554 23.987 1.00 31.87 ? 84 MET B CE 1 ATOM 3208 N N . GLU B 2 85 ? -33.867 14.381 21.831 1.00 27.54 ? 85 GLU B N 1 ATOM 3209 C CA . GLU B 2 85 ? -32.810 13.653 21.144 1.00 30.00 ? 85 GLU B CA 1 ATOM 3210 C C . GLU B 2 85 ? -33.410 12.850 20.004 1.00 30.44 ? 85 GLU B C 1 ATOM 3211 O O . GLU B 2 85 ? -32.845 12.855 18.872 1.00 31.60 ? 85 GLU B O 1 ATOM 3212 C CB . GLU B 2 85 ? -32.000 12.819 22.145 1.00 30.00 ? 85 GLU B CB 1 ATOM 3213 C CG . GLU B 2 85 ? -31.128 13.691 23.021 1.00 32.73 ? 85 GLU B CG 1 ATOM 3214 C CD . GLU B 2 85 ? -29.983 12.939 23.648 1.00 36.21 ? 85 GLU B CD 1 ATOM 3215 O OE1 . GLU B 2 85 ? -30.161 11.741 23.998 1.00 38.37 ? 85 GLU B OE1 1 ATOM 3216 O OE2 . GLU B 2 85 ? -28.909 13.564 23.806 1.00 37.00 ? 85 GLU B OE2 1 ATOM 3217 N N . ASP B 2 86 ? -34.568 12.226 20.254 1.00 31.02 ? 86 ASP B N 1 ATOM 3218 C CA . ASP B 2 86 ? -35.324 11.516 19.203 1.00 33.02 ? 86 ASP B CA 1 ATOM 3219 C C . ASP B 2 86 ? -35.847 12.479 18.133 1.00 32.62 ? 86 ASP B C 1 ATOM 3220 O O . ASP B 2 86 ? -35.857 12.148 16.940 1.00 32.65 ? 86 ASP B O 1 ATOM 3221 C CB . ASP B 2 86 ? -36.521 10.755 19.780 1.00 34.21 ? 86 ASP B CB 1 ATOM 3222 C CG . ASP B 2 86 ? -36.120 9.544 20.633 1.00 38.23 ? 86 ASP B CG 1 ATOM 3223 O OD1 . ASP B 2 86 ? -34.910 9.269 20.828 1.00 42.68 ? 86 ASP B OD1 1 ATOM 3224 O OD2 . ASP B 2 86 ? -37.041 8.860 21.130 1.00 40.93 ? 86 ASP B OD2 1 ATOM 3225 N N . GLY B 2 87 ? -36.302 13.655 18.555 1.00 31.17 ? 87 GLY B N 1 ATOM 3226 C CA . GLY B 2 87 ? -36.795 14.676 17.623 1.00 31.09 ? 87 GLY B CA 1 ATOM 3227 C C . GLY B 2 87 ? -35.742 15.096 16.623 1.00 31.27 ? 87 GLY B C 1 ATOM 3228 O O . GLY B 2 87 ? -36.013 15.201 15.417 1.00 31.48 ? 87 GLY B O 1 ATOM 3229 N N . PHE B 2 88 ? -34.527 15.330 17.104 1.00 30.71 ? 88 PHE B N 1 ATOM 3230 C CA . PHE B 2 88 ? -33.428 15.704 16.219 1.00 30.90 ? 88 PHE B CA 1 ATOM 3231 C C . PHE B 2 88 ? -33.020 14.555 15.317 1.00 32.14 ? 88 PHE B C 1 ATOM 3232 O O . PHE B 2 88 ? -32.773 14.750 14.113 1.00 32.39 ? 88 PHE B O 1 ATOM 3233 C CB . PHE B 2 88 ? -32.246 16.276 17.000 1.00 30.69 ? 88 PHE B CB 1 ATOM 3234 C CG . PHE B 2 88 ? -32.452 17.701 17.419 1.00 29.47 ? 88 PHE B CG 1 ATOM 3235 C CD1 . PHE B 2 88 ? -32.664 18.686 16.472 1.00 30.84 ? 88 PHE B CD1 1 ATOM 3236 C CD2 . PHE B 2 88 ? -32.477 18.059 18.769 1.00 30.21 ? 88 PHE B CD2 1 ATOM 3237 C CE1 . PHE B 2 88 ? -32.876 20.005 16.829 1.00 29.10 ? 88 PHE B CE1 1 ATOM 3238 C CE2 . PHE B 2 88 ? -32.688 19.392 19.135 1.00 29.12 ? 88 PHE B CE2 1 ATOM 3239 C CZ . PHE B 2 88 ? -32.892 20.361 18.174 1.00 30.02 ? 88 PHE B CZ 1 ATOM 3240 N N . LEU B 2 89 ? -32.993 13.358 15.897 1.00 32.66 ? 89 LEU B N 1 ATOM 3241 C CA . LEU B 2 89 ? -32.755 12.142 15.131 1.00 33.48 ? 89 LEU B CA 1 ATOM 3242 C C . LEU B 2 89 ? -33.719 12.054 13.945 1.00 33.45 ? 89 LEU B C 1 ATOM 3243 O O . LEU B 2 89 ? -33.291 11.796 12.802 1.00 34.57 ? 89 LEU B O 1 ATOM 3244 C CB . LEU B 2 89 ? -32.868 10.897 16.019 1.00 33.84 ? 89 LEU B CB 1 ATOM 3245 C CG . LEU B 2 89 ? -32.779 9.558 15.275 1.00 36.54 ? 89 LEU B CG 1 ATOM 3246 C CD1 . LEU B 2 89 ? -31.575 9.523 14.334 1.00 37.87 ? 89 LEU B CD1 1 ATOM 3247 C CD2 . LEU B 2 89 ? -32.726 8.412 16.255 1.00 38.59 ? 89 LEU B CD2 1 ATOM 3248 N N . ASP B 2 90 ? -35.003 12.272 14.201 1.00 33.00 ? 90 ASP B N 1 ATOM 3249 C CA . ASP B 2 90 ? -35.994 12.207 13.127 1.00 34.08 ? 90 ASP B CA 1 ATOM 3250 C C . ASP B 2 90 ? -35.795 13.310 12.072 1.00 33.57 ? 90 ASP B C 1 ATOM 3251 O O . ASP B 2 90 ? -35.904 13.056 10.850 1.00 32.89 ? 90 ASP B O 1 ATOM 3252 C CB . ASP B 2 90 ? -37.399 12.209 13.711 1.00 33.95 ? 90 ASP B CB 1 ATOM 3253 C CG . ASP B 2 90 ? -37.683 10.971 14.539 1.00 36.54 ? 90 ASP B CG 1 ATOM 3254 O OD1 . ASP B 2 90 ? -37.062 9.904 14.292 1.00 39.88 ? 90 ASP B OD1 1 ATOM 3255 O OD2 . ASP B 2 90 ? -38.530 11.057 15.442 1.00 38.09 ? 90 ASP B OD2 1 ATOM 3256 N N . VAL B 2 91 ? -35.462 14.520 12.518 1.00 32.75 ? 91 VAL B N 1 ATOM 3257 C CA . VAL B 2 91 ? -35.182 15.633 11.592 1.00 32.60 ? 91 VAL B CA 1 ATOM 3258 C C . VAL B 2 91 ? -33.989 15.320 10.680 1.00 33.42 ? 91 VAL B C 1 ATOM 3259 O O . VAL B 2 91 ? -34.026 15.561 9.460 1.00 32.27 ? 91 VAL B O 1 ATOM 3260 C CB . VAL B 2 91 ? -34.925 16.957 12.354 1.00 32.68 ? 91 VAL B CB 1 ATOM 3261 C CG1 . VAL B 2 91 ? -34.289 18.010 11.421 1.00 31.75 ? 91 VAL B CG1 1 ATOM 3262 C CG2 . VAL B 2 91 ? -36.226 17.473 12.949 1.00 31.51 ? 91 VAL B CG2 1 ATOM 3263 N N . TRP B 2 92 ? -32.928 14.774 11.256 1.00 33.45 ? 92 TRP B N 1 ATOM 3264 C CA . TRP B 2 92 ? -31.724 14.518 10.478 1.00 34.49 ? 92 TRP B CA 1 ATOM 3265 C C . TRP B 2 92 ? -31.861 13.294 9.580 1.00 34.24 ? 92 TRP B C 1 ATOM 3266 O O . TRP B 2 92 ? -31.246 13.236 8.506 1.00 34.81 ? 92 TRP B O 1 ATOM 3267 C CB . TRP B 2 92 ? -30.486 14.447 11.372 1.00 34.47 ? 92 TRP B CB 1 ATOM 3268 C CG . TRP B 2 92 ? -30.080 15.810 11.851 1.00 35.23 ? 92 TRP B CG 1 ATOM 3269 C CD1 . TRP B 2 92 ? -30.165 16.295 13.137 1.00 36.56 ? 92 TRP B CD1 1 ATOM 3270 C CD2 . TRP B 2 92 ? -29.560 16.879 11.055 1.00 34.89 ? 92 TRP B CD2 1 ATOM 3271 N NE1 . TRP B 2 92 ? -29.723 17.598 13.177 1.00 36.75 ? 92 TRP B NE1 1 ATOM 3272 C CE2 . TRP B 2 92 ? -29.345 17.978 11.914 1.00 35.92 ? 92 TRP B CE2 1 ATOM 3273 C CE3 . TRP B 2 92 ? -29.250 17.017 9.690 1.00 34.88 ? 92 TRP B CE3 1 ATOM 3274 C CZ2 . TRP B 2 92 ? -28.830 19.205 11.455 1.00 35.94 ? 92 TRP B CZ2 1 ATOM 3275 C CZ3 . TRP B 2 92 ? -28.740 18.236 9.238 1.00 35.69 ? 92 TRP B CZ3 1 ATOM 3276 C CH2 . TRP B 2 92 ? -28.529 19.310 10.118 1.00 36.03 ? 92 TRP B CH2 1 ATOM 3277 N N . THR B 2 93 ? -32.688 12.338 9.996 1.00 34.04 ? 93 THR B N 1 ATOM 3278 C CA . THR B 2 93 ? -32.945 11.156 9.173 1.00 34.24 ? 93 THR B CA 1 ATOM 3279 C C . THR B 2 93 ? -33.738 11.648 7.962 1.00 34.78 ? 93 THR B C 1 ATOM 3280 O O . THR B 2 93 ? -33.433 11.282 6.817 1.00 35.36 ? 93 THR B O 1 ATOM 3281 C CB . THR B 2 93 ? -33.697 10.064 9.963 1.00 34.99 ? 93 THR B CB 1 ATOM 3282 O OG1 . THR B 2 93 ? -32.889 9.646 11.077 1.00 32.91 ? 93 THR B OG1 1 ATOM 3283 C CG2 . THR B 2 93 ? -34.000 8.850 9.092 1.00 33.40 ? 93 THR B CG2 1 ATOM 3284 N N . TYR B 2 94 ? -34.717 12.515 8.222 1.00 34.72 ? 94 TYR B N 1 ATOM 3285 C CA . TYR B 2 94 ? -35.498 13.183 7.162 1.00 34.70 ? 94 TYR B CA 1 ATOM 3286 C C . TYR B 2 94 ? -34.594 13.945 6.189 1.00 34.92 ? 94 TYR B C 1 ATOM 3287 O O . TYR B 2 94 ? -34.677 13.733 4.964 1.00 34.81 ? 94 TYR B O 1 ATOM 3288 C CB . TYR B 2 94 ? -36.542 14.129 7.781 1.00 35.39 ? 94 TYR B CB 1 ATOM 3289 C CG . TYR B 2 94 ? -37.343 14.903 6.748 1.00 35.42 ? 94 TYR B CG 1 ATOM 3290 C CD1 . TYR B 2 94 ? -38.541 14.410 6.266 1.00 35.08 ? 94 TYR B CD1 1 ATOM 3291 C CD2 . TYR B 2 94 ? -36.892 16.132 6.271 1.00 36.84 ? 94 TYR B CD2 1 ATOM 3292 C CE1 . TYR B 2 94 ? -39.281 15.117 5.322 1.00 35.89 ? 94 TYR B CE1 1 ATOM 3293 C CE2 . TYR B 2 94 ? -37.617 16.848 5.312 1.00 37.34 ? 94 TYR B CE2 1 ATOM 3294 C CZ . TYR B 2 94 ? -38.812 16.333 4.851 1.00 37.02 ? 94 TYR B CZ 1 ATOM 3295 O OH . TYR B 2 94 ? -39.540 17.039 3.915 1.00 38.79 ? 94 TYR B OH 1 ATOM 3296 N N . ASN B 2 95 ? -33.720 14.804 6.723 1.00 34.40 ? 95 ASN B N 1 ATOM 3297 C CA . ASN B 2 95 ? -32.815 15.596 5.889 1.00 34.57 ? 95 ASN B CA 1 ATOM 3298 C C . ASN B 2 95 ? -31.999 14.694 4.977 1.00 34.35 ? 95 ASN B C 1 ATOM 3299 O O . ASN B 2 95 ? -31.898 14.955 3.758 1.00 34.24 ? 95 ASN B O 1 ATOM 3300 C CB . ASN B 2 95 ? -31.913 16.510 6.738 1.00 34.25 ? 95 ASN B CB 1 ATOM 3301 C CG . ASN B 2 95 ? -32.651 17.726 7.263 1.00 35.25 ? 95 ASN B CG 1 ATOM 3302 O OD1 . ASN B 2 95 ? -33.799 17.988 6.883 1.00 34.97 ? 95 ASN B OD1 1 ATOM 3303 N ND2 . ASN B 2 95 ? -32.003 18.473 8.175 1.00 35.40 ? 95 ASN B ND2 1 ATOM 3304 N N . ALA B 2 96 ? -31.473 13.616 5.551 1.00 33.19 ? 96 ALA B N 1 ATOM 3305 C CA . ALA B 2 96 ? -30.643 12.670 4.803 1.00 33.65 ? 96 ALA B CA 1 ATOM 3306 C C . ALA B 2 96 ? -31.452 11.938 3.737 1.00 33.39 ? 96 ALA B C 1 ATOM 3307 O O . ALA B 2 96 ? -31.087 11.962 2.545 1.00 33.69 ? 96 ALA B O 1 ATOM 3308 C CB . ALA B 2 96 ? -29.943 11.686 5.745 1.00 33.29 ? 96 ALA B CB 1 ATOM 3309 N N . GLU B 2 97 ? -32.554 11.314 4.131 1.00 32.70 ? 97 GLU B N 1 ATOM 3310 C CA . GLU B 2 97 ? -33.331 10.520 3.169 1.00 32.83 ? 97 GLU B CA 1 ATOM 3311 C C . GLU B 2 97 ? -33.923 11.380 2.064 1.00 33.33 ? 97 GLU B C 1 ATOM 3312 O O . GLU B 2 97 ? -33.814 11.021 0.869 1.00 32.45 ? 97 GLU B O 1 ATOM 3313 C CB . GLU B 2 97 ? -34.410 9.710 3.873 1.00 32.94 ? 97 GLU B CB 1 ATOM 3314 C CG . GLU B 2 97 ? -33.828 8.624 4.758 1.00 33.25 ? 97 GLU B CG 1 ATOM 3315 C CD . GLU B 2 97 ? -34.877 7.854 5.501 1.00 36.84 ? 97 GLU B CD 1 ATOM 3316 O OE1 . GLU B 2 97 ? -36.056 8.287 5.493 1.00 38.01 ? 97 GLU B OE1 1 ATOM 3317 O OE2 . GLU B 2 97 ? -34.518 6.819 6.108 1.00 36.28 ? 97 GLU B OE2 1 ATOM 3318 N N . LEU B 2 98 ? -34.520 12.513 2.435 1.00 33.39 ? 98 LEU B N 1 ATOM 3319 C CA . LEU B 2 98 ? -35.108 13.430 1.428 1.00 33.72 ? 98 LEU B CA 1 ATOM 3320 C C . LEU B 2 98 ? -34.076 13.915 0.446 1.00 34.57 ? 98 LEU B C 1 ATOM 3321 O O . LEU B 2 98 ? -34.323 13.958 -0.793 1.00 34.20 ? 98 LEU B O 1 ATOM 3322 C CB . LEU B 2 98 ? -35.781 14.653 2.080 1.00 33.09 ? 98 LEU B CB 1 ATOM 3323 C CG . LEU B 2 98 ? -36.504 15.533 1.041 1.00 34.50 ? 98 LEU B CG 1 ATOM 3324 C CD1 . LEU B 2 98 ? -37.563 14.718 0.281 1.00 34.58 ? 98 LEU B CD1 1 ATOM 3325 C CD2 . LEU B 2 98 ? -37.112 16.789 1.647 1.00 33.90 ? 98 LEU B CD2 1 ATOM 3326 N N . LEU B 2 99 ? -32.920 14.294 0.977 1.00 34.78 ? 99 LEU B N 1 ATOM 3327 C CA . LEU B 2 99 ? -31.865 14.868 0.163 1.00 36.65 ? 99 LEU B CA 1 ATOM 3328 C C . LEU B 2 99 ? -31.396 13.849 -0.874 1.00 36.07 ? 99 LEU B C 1 ATOM 3329 O O . LEU B 2 99 ? -31.167 14.201 -2.049 1.00 36.84 ? 99 LEU B O 1 ATOM 3330 C CB . LEU B 2 99 ? -30.694 15.279 1.048 1.00 36.63 ? 99 LEU B CB 1 ATOM 3331 C CG . LEU B 2 99 ? -29.435 15.869 0.417 1.00 38.68 ? 99 LEU B CG 1 ATOM 3332 C CD1 . LEU B 2 99 ? -29.754 16.932 -0.620 1.00 39.31 ? 99 LEU B CD1 1 ATOM 3333 C CD2 . LEU B 2 99 ? -28.552 16.448 1.493 1.00 38.06 ? 99 LEU B CD2 1 ATOM 3334 N N . VAL B 2 100 ? -31.257 12.599 -0.429 1.00 35.66 ? 100 VAL B N 1 ATOM 3335 C CA . VAL B 2 100 ? -30.779 11.514 -1.288 1.00 35.29 ? 100 VAL B CA 1 ATOM 3336 C C . VAL B 2 100 ? -31.807 11.213 -2.378 1.00 34.93 ? 100 VAL B C 1 ATOM 3337 O O . VAL B 2 100 ? -31.426 10.956 -3.526 1.00 33.83 ? 100 VAL B O 1 ATOM 3338 C CB . VAL B 2 100 ? -30.396 10.255 -0.474 1.00 35.57 ? 100 VAL B CB 1 ATOM 3339 C CG1 . VAL B 2 100 ? -30.132 9.064 -1.389 1.00 34.77 ? 100 VAL B CG1 1 ATOM 3340 C CG2 . VAL B 2 100 ? -29.161 10.531 0.373 1.00 35.54 ? 100 VAL B CG2 1 ATOM 3341 N N . LEU B 2 101 ? -33.095 11.259 -2.042 1.00 34.47 ? 101 LEU B N 1 ATOM 3342 C CA . LEU B 2 101 ? -34.139 11.056 -3.073 1.00 34.87 ? 101 LEU B CA 1 ATOM 3343 C C . LEU B 2 101 ? -34.149 12.168 -4.118 1.00 35.03 ? 101 LEU B C 1 ATOM 3344 O O . LEU B 2 101 ? -34.095 11.905 -5.330 1.00 33.94 ? 101 LEU B O 1 ATOM 3345 C CB . LEU B 2 101 ? -35.528 10.976 -2.451 1.00 34.80 ? 101 LEU B CB 1 ATOM 3346 C CG . LEU B 2 101 ? -35.853 9.863 -1.468 1.00 35.52 ? 101 LEU B CG 1 ATOM 3347 C CD1 . LEU B 2 101 ? -37.243 10.105 -0.896 1.00 36.58 ? 101 LEU B CD1 1 ATOM 3348 C CD2 . LEU B 2 101 ? -35.768 8.528 -2.147 1.00 35.38 ? 101 LEU B CD2 1 ATOM 3349 N N . MET B 2 102 ? -34.247 13.406 -3.639 1.00 35.05 ? 102 MET B N 1 ATOM 3350 C CA . MET B 2 102 ? -34.303 14.591 -4.503 1.00 35.73 ? 102 MET B CA 1 ATOM 3351 C C . MET B 2 102 ? -33.094 14.681 -5.410 1.00 35.69 ? 102 MET B C 1 ATOM 3352 O O . MET B 2 102 ? -33.225 14.958 -6.620 1.00 35.61 ? 102 MET B O 1 ATOM 3353 C CB . MET B 2 102 ? -34.413 15.862 -3.660 1.00 35.80 ? 102 MET B CB 1 ATOM 3354 C CG . MET B 2 102 ? -35.811 16.172 -3.217 1.00 36.41 ? 102 MET B CG 1 ATOM 3355 S SD . MET B 2 102 ? -35.853 17.703 -2.268 1.00 37.44 ? 102 MET B SD 1 ATOM 3356 C CE . MET B 2 102 ? -37.622 18.001 -2.180 1.00 39.55 ? 102 MET B CE 1 ATOM 3357 N N . GLU B 2 103 ? -31.918 14.434 -4.845 1.00 34.91 ? 103 GLU B N 1 ATOM 3358 C CA . GLU B 2 103 ? -30.706 14.460 -5.645 1.00 34.89 ? 103 GLU B CA 1 ATOM 3359 C C . GLU B 2 103 ? -30.532 13.259 -6.584 1.00 33.87 ? 103 GLU B C 1 ATOM 3360 O O . GLU B 2 103 ? -30.064 13.440 -7.720 1.00 34.08 ? 103 GLU B O 1 ATOM 3361 C CB . GLU B 2 103 ? -29.469 14.735 -4.790 1.00 35.32 ? 103 GLU B CB 1 ATOM 3362 C CG . GLU B 2 103 ? -29.399 16.211 -4.289 1.00 36.90 ? 103 GLU B CG 1 ATOM 3363 C CD . GLU B 2 103 ? -29.607 17.248 -5.413 1.00 40.07 ? 103 GLU B CD 1 ATOM 3364 O OE1 . GLU B 2 103 ? -28.961 17.116 -6.488 1.00 37.84 ? 103 GLU B OE1 1 ATOM 3365 O OE2 . GLU B 2 103 ? -30.424 18.188 -5.224 1.00 39.63 ? 103 GLU B OE2 1 ATOM 3366 N N . ASN B 2 104 ? -30.929 12.060 -6.152 1.00 32.13 ? 104 ASN B N 1 ATOM 3367 C CA . ASN B 2 104 ? -30.963 10.905 -7.087 1.00 31.53 ? 104 ASN B CA 1 ATOM 3368 C C . ASN B 2 104 ? -31.797 11.217 -8.323 1.00 31.81 ? 104 ASN B C 1 ATOM 3369 O O . ASN B 2 104 ? -31.380 10.925 -9.470 1.00 31.71 ? 104 ASN B O 1 ATOM 3370 C CB . ASN B 2 104 ? -31.499 9.654 -6.405 1.00 31.02 ? 104 ASN B CB 1 ATOM 3371 C CG . ASN B 2 104 ? -30.469 9.018 -5.501 1.00 30.77 ? 104 ASN B CG 1 ATOM 3372 O OD1 . ASN B 2 104 ? -29.302 9.400 -5.528 1.00 29.58 ? 104 ASN B OD1 1 ATOM 3373 N ND2 . ASN B 2 104 ? -30.877 8.023 -4.744 1.00 27.83 ? 104 ASN B ND2 1 ATOM 3374 N N . GLU B 2 105 ? -32.971 11.806 -8.086 1.00 31.93 ? 105 GLU B N 1 ATOM 3375 C CA . GLU B 2 105 ? -33.862 12.247 -9.179 1.00 33.28 ? 105 GLU B CA 1 ATOM 3376 C C . GLU B 2 105 ? -33.112 13.110 -10.162 1.00 33.37 ? 105 GLU B C 1 ATOM 3377 O O . GLU B 2 105 ? -33.141 12.873 -11.393 1.00 33.24 ? 105 GLU B O 1 ATOM 3378 C CB . GLU B 2 105 ? -35.017 13.074 -8.599 1.00 33.90 ? 105 GLU B CB 1 ATOM 3379 C CG . GLU B 2 105 ? -36.002 13.547 -9.641 1.00 38.26 ? 105 GLU B CG 1 ATOM 3380 C CD . GLU B 2 105 ? -37.107 12.546 -9.834 1.00 42.35 ? 105 GLU B CD 1 ATOM 3381 O OE1 . GLU B 2 105 ? -37.827 12.303 -8.835 1.00 44.46 ? 105 GLU B OE1 1 ATOM 3382 O OE2 . GLU B 2 105 ? -37.244 12.014 -10.965 1.00 44.08 ? 105 GLU B OE2 1 ATOM 3383 N N . ARG B 2 106 ? -32.447 14.121 -9.622 1.00 32.79 ? 106 ARG B N 1 ATOM 3384 C CA . ARG B 2 106 ? -31.781 15.121 -10.427 1.00 33.47 ? 106 ARG B CA 1 ATOM 3385 C C . ARG B 2 106 ? -30.537 14.539 -11.106 1.00 32.65 ? 106 ARG B C 1 ATOM 3386 O O . ARG B 2 106 ? -30.178 14.969 -12.204 1.00 32.10 ? 106 ARG B O 1 ATOM 3387 C CB . ARG B 2 106 ? -31.479 16.374 -9.595 1.00 33.55 ? 106 ARG B CB 1 ATOM 3388 C CG . ARG B 2 106 ? -32.765 17.080 -9.114 1.00 36.29 ? 106 ARG B CG 1 ATOM 3389 C CD . ARG B 2 106 ? -32.457 18.338 -8.327 1.00 37.69 ? 106 ARG B CD 1 ATOM 3390 N NE . ARG B 2 106 ? -33.414 18.693 -7.259 1.00 45.06 ? 106 ARG B NE 1 ATOM 3391 C CZ . ARG B 2 106 ? -34.501 18.011 -6.866 1.00 46.05 ? 106 ARG B CZ 1 ATOM 3392 N NH1 . ARG B 2 106 ? -34.877 16.867 -7.437 1.00 48.04 ? 106 ARG B NH1 1 ATOM 3393 N NH2 . ARG B 2 106 ? -35.236 18.498 -5.878 1.00 49.90 ? 106 ARG B NH2 1 ATOM 3394 N N . THR B 2 107 ? -29.905 13.548 -10.466 1.00 31.35 ? 107 THR B N 1 ATOM 3395 C CA . THR B 2 107 ? -28.715 12.895 -11.026 1.00 30.52 ? 107 THR B CA 1 ATOM 3396 C C . THR B 2 107 ? -29.066 12.132 -12.308 1.00 29.58 ? 107 THR B C 1 ATOM 3397 O O . THR B 2 107 ? -28.373 12.234 -13.343 1.00 29.45 ? 107 THR B O 1 ATOM 3398 C CB . THR B 2 107 ? -28.097 11.933 -10.026 1.00 31.05 ? 107 THR B CB 1 ATOM 3399 O OG1 . THR B 2 107 ? -27.439 12.701 -9.023 1.00 30.03 ? 107 THR B OG1 1 ATOM 3400 C CG2 . THR B 2 107 ? -27.073 11.045 -10.679 1.00 30.59 ? 107 THR B CG2 1 ATOM 3401 N N . LEU B 2 108 ? -30.151 11.379 -12.228 1.00 28.82 ? 108 LEU B N 1 ATOM 3402 C CA . LEU B 2 108 ? -30.600 10.614 -13.396 1.00 29.19 ? 108 LEU B CA 1 ATOM 3403 C C . LEU B 2 108 ? -30.991 11.553 -14.535 1.00 29.64 ? 108 LEU B C 1 ATOM 3404 O O . LEU B 2 108 ? -30.686 11.277 -15.712 1.00 28.77 ? 108 LEU B O 1 ATOM 3405 C CB . LEU B 2 108 ? -31.728 9.648 -13.030 1.00 28.87 ? 108 LEU B CB 1 ATOM 3406 C CG . LEU B 2 108 ? -31.402 8.583 -11.973 1.00 30.43 ? 108 LEU B CG 1 ATOM 3407 C CD1 . LEU B 2 108 ? -32.590 7.658 -11.831 1.00 32.69 ? 108 LEU B CD1 1 ATOM 3408 C CD2 . LEU B 2 108 ? -30.144 7.800 -12.356 1.00 29.99 ? 108 LEU B CD2 1 ATOM 3409 N N . ASP B 2 109 ? -31.634 12.671 -14.208 1.00 29.86 ? 109 ASP B N 1 ATOM 3410 C CA . ASP B 2 109 ? -32.009 13.683 -15.223 1.00 30.02 ? 109 ASP B CA 1 ATOM 3411 C C . ASP B 2 109 ? -30.796 14.435 -15.780 1.00 29.31 ? 109 ASP B C 1 ATOM 3412 O O . ASP B 2 109 ? -30.776 14.874 -16.942 1.00 28.52 ? 109 ASP B O 1 ATOM 3413 C CB . ASP B 2 109 ? -32.990 14.692 -14.614 1.00 30.70 ? 109 ASP B CB 1 ATOM 3414 C CG . ASP B 2 109 ? -34.361 14.107 -14.387 1.00 33.22 ? 109 ASP B CG 1 ATOM 3415 O OD1 . ASP B 2 109 ? -34.704 13.100 -15.041 1.00 38.60 ? 109 ASP B OD1 1 ATOM 3416 O OD2 . ASP B 2 109 ? -35.114 14.671 -13.560 1.00 38.38 ? 109 ASP B OD2 1 ATOM 3417 N N . PHE B 2 110 ? -29.784 14.589 -14.946 1.00 28.72 ? 110 PHE B N 1 ATOM 3418 C CA . PHE B 2 110 ? -28.555 15.231 -15.351 1.00 28.50 ? 110 PHE B CA 1 ATOM 3419 C C . PHE B 2 110 ? -27.867 14.418 -16.465 1.00 28.18 ? 110 PHE B C 1 ATOM 3420 O O . PHE B 2 110 ? -27.462 14.956 -17.492 1.00 28.10 ? 110 PHE B O 1 ATOM 3421 C CB . PHE B 2 110 ? -27.674 15.350 -14.118 1.00 28.98 ? 110 PHE B CB 1 ATOM 3422 C CG . PHE B 2 110 ? -26.313 15.892 -14.381 1.00 28.96 ? 110 PHE B CG 1 ATOM 3423 C CD1 . PHE B 2 110 ? -26.136 17.193 -14.848 1.00 29.81 ? 110 PHE B CD1 1 ATOM 3424 C CD2 . PHE B 2 110 ? -25.192 15.113 -14.123 1.00 30.13 ? 110 PHE B CD2 1 ATOM 3425 C CE1 . PHE B 2 110 ? -24.861 17.687 -15.081 1.00 31.31 ? 110 PHE B CE1 1 ATOM 3426 C CE2 . PHE B 2 110 ? -23.927 15.602 -14.329 1.00 29.33 ? 110 PHE B CE2 1 ATOM 3427 C CZ . PHE B 2 110 ? -23.753 16.898 -14.814 1.00 31.48 ? 110 PHE B CZ 1 ATOM 3428 N N . HIS B 2 111 ? -27.769 13.115 -16.262 1.00 28.23 ? 111 HIS B N 1 ATOM 3429 C CA . HIS B 2 111 ? -27.209 12.236 -17.278 1.00 27.05 ? 111 HIS B CA 1 ATOM 3430 C C . HIS B 2 111 ? -28.045 12.292 -18.569 1.00 26.39 ? 111 HIS B C 1 ATOM 3431 O O . HIS B 2 111 ? -27.500 12.342 -19.682 1.00 27.05 ? 111 HIS B O 1 ATOM 3432 C CB . HIS B 2 111 ? -27.164 10.824 -16.732 1.00 27.68 ? 111 HIS B CB 1 ATOM 3433 C CG . HIS B 2 111 ? -26.085 10.609 -15.717 1.00 26.59 ? 111 HIS B CG 1 ATOM 3434 N ND1 . HIS B 2 111 ? -24.747 10.719 -16.028 1.00 27.63 ? 111 HIS B ND1 1 ATOM 3435 C CD2 . HIS B 2 111 ? -26.140 10.272 -14.404 1.00 29.14 ? 111 HIS B CD2 1 ATOM 3436 C CE1 . HIS B 2 111 ? -24.022 10.457 -14.952 1.00 28.23 ? 111 HIS B CE1 1 ATOM 3437 N NE2 . HIS B 2 111 ? -24.843 10.182 -13.957 1.00 29.19 ? 111 HIS B NE2 1 ATOM 3438 N N . ASP B 2 112 ? -29.362 12.307 -18.403 1.00 26.00 ? 112 ASP B N 1 ATOM 3439 C CA . ASP B 2 112 ? -30.294 12.401 -19.544 1.00 26.03 ? 112 ASP B CA 1 ATOM 3440 C C . ASP B 2 112 ? -30.047 13.683 -20.361 1.00 26.12 ? 112 ASP B C 1 ATOM 3441 O O . ASP B 2 112 ? -29.923 13.625 -21.596 1.00 25.13 ? 112 ASP B O 1 ATOM 3442 C CB . ASP B 2 112 ? -31.734 12.324 -19.018 1.00 26.16 ? 112 ASP B CB 1 ATOM 3443 C CG . ASP B 2 112 ? -32.763 12.041 -20.095 1.00 27.50 ? 112 ASP B CG 1 ATOM 3444 O OD1 . ASP B 2 112 ? -32.428 11.639 -21.233 1.00 26.16 ? 112 ASP B OD1 1 ATOM 3445 O OD2 . ASP B 2 112 ? -33.958 12.202 -19.778 1.00 30.36 ? 112 ASP B OD2 1 ATOM 3446 N N . SER B 2 113 ? -29.965 14.825 -19.662 1.00 25.00 ? 113 SER B N 1 ATOM 3447 C CA . SER B 2 113 ? -29.602 16.116 -20.255 1.00 25.12 ? 113 SER B CA 1 ATOM 3448 C C . SER B 2 113 ? -28.272 16.058 -20.989 1.00 25.06 ? 113 SER B C 1 ATOM 3449 O O . SER B 2 113 ? -28.144 16.573 -22.102 1.00 25.46 ? 113 SER B O 1 ATOM 3450 C CB . SER B 2 113 ? -29.525 17.202 -19.160 1.00 24.41 ? 113 SER B CB 1 ATOM 3451 O OG . SER B 2 113 ? -28.973 18.421 -19.653 1.00 26.16 ? 113 SER B OG 1 ATOM 3452 N N . ASN B 2 114 ? -27.287 15.407 -20.378 1.00 25.37 ? 114 ASN B N 1 ATOM 3453 C CA . ASN B 2 114 ? -25.948 15.342 -20.948 1.00 26.00 ? 114 ASN B CA 1 ATOM 3454 C C . ASN B 2 114 ? -25.933 14.567 -22.265 1.00 26.09 ? 114 ASN B C 1 ATOM 3455 O O . ASN B 2 114 ? -25.234 14.942 -23.217 1.00 27.56 ? 114 ASN B O 1 ATOM 3456 C CB . ASN B 2 114 ? -24.965 14.735 -19.947 1.00 25.93 ? 114 ASN B CB 1 ATOM 3457 C CG . ASN B 2 114 ? -24.677 15.658 -18.780 1.00 27.45 ? 114 ASN B CG 1 ATOM 3458 O OD1 . ASN B 2 114 ? -24.968 16.863 -18.826 1.00 28.74 ? 114 ASN B OD1 1 ATOM 3459 N ND2 . ASN B 2 114 ? -24.120 15.089 -17.711 1.00 29.12 ? 114 ASN B ND2 1 ATOM 3460 N N . VAL B 2 115 ? -26.711 13.490 -22.312 1.00 26.26 ? 115 VAL B N 1 ATOM 3461 C CA . VAL B 2 115 ? -26.871 12.714 -23.562 1.00 25.16 ? 115 VAL B CA 1 ATOM 3462 C C . VAL B 2 115 ? -27.599 13.556 -24.599 1.00 25.69 ? 115 VAL B C 1 ATOM 3463 O O . VAL B 2 115 ? -27.174 13.633 -25.761 1.00 25.80 ? 115 VAL B O 1 ATOM 3464 C CB . VAL B 2 115 ? -27.633 11.379 -23.331 1.00 25.01 ? 115 VAL B CB 1 ATOM 3465 C CG1 . VAL B 2 115 ? -27.894 10.645 -24.682 1.00 23.90 ? 115 VAL B CG1 1 ATOM 3466 C CG2 . VAL B 2 115 ? -26.853 10.481 -22.395 1.00 25.55 ? 115 VAL B CG2 1 ATOM 3467 N N . LYS B 2 116 ? -28.696 14.185 -24.189 1.00 26.18 ? 116 LYS B N 1 ATOM 3468 C CA . LYS B 2 116 ? -29.470 15.012 -25.121 1.00 26.93 ? 116 LYS B CA 1 ATOM 3469 C C . LYS B 2 116 ? -28.605 16.141 -25.694 1.00 26.72 ? 116 LYS B C 1 ATOM 3470 O O . LYS B 2 116 ? -28.597 16.387 -26.904 1.00 25.92 ? 116 LYS B O 1 ATOM 3471 C CB . LYS B 2 116 ? -30.740 15.580 -24.453 1.00 27.07 ? 116 LYS B CB 1 ATOM 3472 C CG . LYS B 2 116 ? -31.662 16.209 -25.492 1.00 30.43 ? 116 LYS B CG 1 ATOM 3473 C CD . LYS B 2 116 ? -32.367 17.460 -25.000 1.00 31.95 ? 116 LYS B CD 1 ATOM 3474 C CE . LYS B 2 116 ? -33.436 17.914 -26.010 1.00 37.01 ? 116 LYS B CE 1 ATOM 3475 N NZ . LYS B 2 116 ? -34.707 17.147 -25.804 1.00 37.78 ? 116 LYS B NZ 1 ATOM 3476 N N . ASN B 2 117 ? -27.863 16.814 -24.818 1.00 26.39 ? 117 ASN B N 1 ATOM 3477 C CA . ASN B 2 117 ? -27.017 17.923 -25.241 1.00 27.54 ? 117 ASN B CA 1 ATOM 3478 C C . ASN B 2 117 ? -25.908 17.490 -26.190 1.00 27.32 ? 117 ASN B C 1 ATOM 3479 O O . ASN B 2 117 ? -25.584 18.212 -27.145 1.00 27.97 ? 117 ASN B O 1 ATOM 3480 C CB . ASN B 2 117 ? -26.438 18.666 -24.041 1.00 27.39 ? 117 ASN B CB 1 ATOM 3481 C CG . ASN B 2 117 ? -27.481 19.491 -23.301 1.00 29.06 ? 117 ASN B CG 1 ATOM 3482 O OD1 . ASN B 2 117 ? -28.588 19.727 -23.795 1.00 29.78 ? 117 ASN B OD1 1 ATOM 3483 N ND2 . ASN B 2 117 ? -27.128 19.922 -22.093 1.00 29.38 ? 117 ASN B ND2 1 ATOM 3484 N N . LEU B 2 118 ? -25.345 16.309 -25.936 1.00 27.46 ? 118 LEU B N 1 ATOM 3485 C CA . LEU B 2 118 ? -24.328 15.735 -26.823 1.00 27.68 ? 118 LEU B CA 1 ATOM 3486 C C . LEU B 2 118 ? -24.897 15.424 -28.201 1.00 27.33 ? 118 LEU B C 1 ATOM 3487 O O . LEU B 2 118 ? -24.304 15.780 -29.221 1.00 25.40 ? 118 LEU B O 1 ATOM 3488 C CB . LEU B 2 118 ? -23.704 14.475 -26.216 1.00 28.06 ? 118 LEU B CB 1 ATOM 3489 C CG . LEU B 2 118 ? -22.687 13.733 -27.096 1.00 28.97 ? 118 LEU B CG 1 ATOM 3490 C CD1 . LEU B 2 118 ? -21.510 14.636 -27.458 1.00 29.07 ? 118 LEU B CD1 1 ATOM 3491 C CD2 . LEU B 2 118 ? -22.197 12.471 -26.398 1.00 29.48 ? 118 LEU B CD2 1 ATOM 3492 N N . TYR B 2 119 ? -26.047 14.762 -28.219 1.00 26.50 ? 119 TYR B N 1 ATOM 3493 C CA . TYR B 2 119 ? -26.760 14.498 -29.471 1.00 26.31 ? 119 TYR B CA 1 ATOM 3494 C C . TYR B 2 119 ? -27.021 15.782 -30.251 1.00 26.59 ? 119 TYR B C 1 ATOM 3495 O O . TYR B 2 119 ? -26.768 15.845 -31.465 1.00 26.78 ? 119 TYR B O 1 ATOM 3496 C CB . TYR B 2 119 ? -28.075 13.782 -29.168 1.00 26.70 ? 119 TYR B CB 1 ATOM 3497 C CG . TYR B 2 119 ? -28.894 13.492 -30.399 1.00 25.89 ? 119 TYR B CG 1 ATOM 3498 C CD1 . TYR B 2 119 ? -28.636 12.373 -31.180 1.00 27.62 ? 119 TYR B CD1 1 ATOM 3499 C CD2 . TYR B 2 119 ? -29.928 14.338 -30.778 1.00 26.29 ? 119 TYR B CD2 1 ATOM 3500 C CE1 . TYR B 2 119 ? -29.389 12.107 -32.327 1.00 28.02 ? 119 TYR B CE1 1 ATOM 3501 C CE2 . TYR B 2 119 ? -30.692 14.091 -31.935 1.00 27.51 ? 119 TYR B CE2 1 ATOM 3502 C CZ . TYR B 2 119 ? -30.410 12.973 -32.700 1.00 27.41 ? 119 TYR B CZ 1 ATOM 3503 O OH . TYR B 2 119 ? -31.153 12.702 -33.818 1.00 28.47 ? 119 TYR B OH 1 ATOM 3504 N N . ASP B 2 120 ? -27.533 16.802 -29.556 1.00 26.50 ? 120 ASP B N 1 ATOM 3505 C CA . ASP B 2 120 ? -27.883 18.069 -30.192 1.00 27.32 ? 120 ASP B CA 1 ATOM 3506 C C . ASP B 2 120 ? -26.673 18.827 -30.687 1.00 27.77 ? 120 ASP B C 1 ATOM 3507 O O . ASP B 2 120 ? -26.721 19.448 -31.742 1.00 28.13 ? 120 ASP B O 1 ATOM 3508 C CB . ASP B 2 120 ? -28.673 18.946 -29.232 1.00 27.35 ? 120 ASP B CB 1 ATOM 3509 C CG . ASP B 2 120 ? -30.123 18.558 -29.146 1.00 28.69 ? 120 ASP B CG 1 ATOM 3510 O OD1 . ASP B 2 120 ? -30.684 18.032 -30.138 1.00 30.86 ? 120 ASP B OD1 1 ATOM 3511 O OD2 . ASP B 2 120 ? -30.725 18.835 -28.078 1.00 30.34 ? 120 ASP B OD2 1 ATOM 3512 N N . LYS B 2 121 ? -25.581 18.764 -29.928 1.00 28.82 ? 121 LYS B N 1 ATOM 3513 C CA . LYS B 2 121 ? -24.321 19.355 -30.361 1.00 30.69 ? 121 LYS B CA 1 ATOM 3514 C C . LYS B 2 121 ? -23.892 18.753 -31.703 1.00 30.18 ? 121 LYS B C 1 ATOM 3515 O O . LYS B 2 121 ? -23.565 19.473 -32.673 1.00 31.78 ? 121 LYS B O 1 ATOM 3516 C CB . LYS B 2 121 ? -23.261 19.102 -29.292 1.00 30.17 ? 121 LYS B CB 1 ATOM 3517 C CG . LYS B 2 121 ? -21.976 19.863 -29.489 1.00 33.59 ? 121 LYS B CG 1 ATOM 3518 C CD . LYS B 2 121 ? -20.983 19.516 -28.388 1.00 36.14 ? 121 LYS B CD 1 ATOM 3519 C CE . LYS B 2 121 ? -19.987 20.660 -28.156 1.00 38.59 ? 121 LYS B CE 1 ATOM 3520 N NZ . LYS B 2 121 ? -19.069 20.878 -29.314 1.00 38.94 ? 121 LYS B NZ 1 ATOM 3521 N N . VAL B 2 122 ? -23.917 17.426 -31.786 1.00 30.60 ? 122 VAL B N 1 ATOM 3522 C CA . VAL B 2 122 ? -23.538 16.737 -33.018 1.00 29.63 ? 122 VAL B CA 1 ATOM 3523 C C . VAL B 2 122 ? -24.508 17.092 -34.151 1.00 29.68 ? 122 VAL B C 1 ATOM 3524 O O . VAL B 2 122 ? -24.084 17.475 -35.243 1.00 30.29 ? 122 VAL B O 1 ATOM 3525 C CB . VAL B 2 122 ? -23.435 15.210 -32.803 1.00 29.68 ? 122 VAL B CB 1 ATOM 3526 C CG1 . VAL B 2 122 ? -23.253 14.467 -34.133 1.00 30.13 ? 122 VAL B CG1 1 ATOM 3527 C CG2 . VAL B 2 122 ? -22.292 14.899 -31.824 1.00 29.03 ? 122 VAL B CG2 1 ATOM 3528 N N . ARG B 2 123 ? -25.803 16.991 -33.864 1.00 29.07 ? 123 ARG B N 1 ATOM 3529 C CA . ARG B 2 123 ? -26.860 17.362 -34.802 1.00 29.79 ? 123 ARG B CA 1 ATOM 3530 C C . ARG B 2 123 ? -26.682 18.779 -35.364 1.00 30.45 ? 123 ARG B C 1 ATOM 3531 O O . ARG B 2 123 ? -26.781 18.981 -36.566 1.00 30.58 ? 123 ARG B O 1 ATOM 3532 C CB . ARG B 2 123 ? -28.233 17.208 -34.131 1.00 29.17 ? 123 ARG B CB 1 ATOM 3533 C CG . ARG B 2 123 ? -29.403 17.641 -35.000 1.00 28.20 ? 123 ARG B CG 1 ATOM 3534 C CD . ARG B 2 123 ? -30.725 17.583 -34.259 1.00 29.82 ? 123 ARG B CD 1 ATOM 3535 N NE . ARG B 2 123 ? -30.823 18.515 -33.132 1.00 30.94 ? 123 ARG B NE 1 ATOM 3536 C CZ . ARG B 2 123 ? -31.096 19.817 -33.233 1.00 31.14 ? 123 ARG B CZ 1 ATOM 3537 N NH1 . ARG B 2 123 ? -31.271 20.395 -34.430 1.00 32.89 ? 123 ARG B NH1 1 ATOM 3538 N NH2 . ARG B 2 123 ? -31.172 20.549 -32.119 1.00 33.21 ? 123 ARG B NH2 1 ATOM 3539 N N . MET B 2 124 ? -26.430 19.749 -34.483 1.00 31.64 ? 124 MET B N 1 ATOM 3540 C CA . MET B 2 124 ? -26.348 21.159 -34.881 1.00 33.40 ? 124 MET B CA 1 ATOM 3541 C C . MET B 2 124 ? -25.088 21.470 -35.672 1.00 33.15 ? 124 MET B C 1 ATOM 3542 O O . MET B 2 124 ? -25.034 22.462 -36.415 1.00 33.58 ? 124 MET B O 1 ATOM 3543 C CB . MET B 2 124 ? -26.491 22.088 -33.670 1.00 32.71 ? 124 MET B CB 1 ATOM 3544 C CG . MET B 2 124 ? -27.886 22.048 -33.045 1.00 34.59 ? 124 MET B CG 1 ATOM 3545 S SD . MET B 2 124 ? -28.146 23.132 -31.625 1.00 36.90 ? 124 MET B SD 1 ATOM 3546 C CE . MET B 2 124 ? -28.202 24.715 -32.458 1.00 36.85 ? 124 MET B CE 1 ATOM 3547 N N . GLN B 2 125 ? -24.095 20.591 -35.559 1.00 33.67 ? 125 GLN B N 1 ATOM 3548 C CA . GLN B 2 125 ? -22.867 20.709 -36.337 1.00 34.27 ? 125 GLN B CA 1 ATOM 3549 C C . GLN B 2 125 ? -22.985 20.043 -37.723 1.00 33.66 ? 125 GLN B C 1 ATOM 3550 O O . GLN B 2 125 ? -22.562 20.612 -38.738 1.00 33.75 ? 125 GLN B O 1 ATOM 3551 C CB . GLN B 2 125 ? -21.649 20.188 -35.546 1.00 34.20 ? 125 GLN B CB 1 ATOM 3552 C CG . GLN B 2 125 ? -20.309 20.551 -36.228 1.00 36.89 ? 125 GLN B CG 1 ATOM 3553 C CD . GLN B 2 125 ? -19.101 20.474 -35.303 1.00 36.33 ? 125 GLN B CD 1 ATOM 3554 O OE1 . GLN B 2 125 ? -18.651 19.386 -34.939 1.00 38.27 ? 125 GLN B OE1 1 ATOM 3555 N NE2 . GLN B 2 125 ? -18.555 21.638 -34.940 1.00 38.90 ? 125 GLN B NE2 1 ATOM 3556 N N . LEU B 2 126 ? -23.588 18.855 -37.765 1.00 33.29 ? 126 LEU B N 1 ATOM 3557 C CA . LEU B 2 126 ? -23.749 18.093 -39.007 1.00 32.72 ? 126 LEU B CA 1 ATOM 3558 C C . LEU B 2 126 ? -24.791 18.686 -39.959 1.00 32.72 ? 126 LEU B C 1 ATOM 3559 O O . LEU B 2 126 ? -24.661 18.554 -41.183 1.00 32.33 ? 126 LEU B O 1 ATOM 3560 C CB . LEU B 2 126 ? -24.104 16.632 -38.718 1.00 32.88 ? 126 LEU B CB 1 ATOM 3561 C CG . LEU B 2 126 ? -23.156 15.814 -37.837 1.00 31.74 ? 126 LEU B CG 1 ATOM 3562 C CD1 . LEU B 2 126 ? -23.739 14.414 -37.636 1.00 31.93 ? 126 LEU B CD1 1 ATOM 3563 C CD2 . LEU B 2 126 ? -21.746 15.758 -38.426 1.00 32.68 ? 126 LEU B CD2 1 ATOM 3564 N N . ARG B 2 127 ? -25.814 19.326 -39.390 1.00 32.86 ? 127 ARG B N 1 ATOM 3565 C CA A ARG B 2 127 ? -26.865 19.976 -40.179 0.50 33.52 ? 127 ARG B CA 1 ATOM 3566 C CA B ARG B 2 127 ? -26.880 19.972 -40.157 0.50 33.23 ? 127 ARG B CA 1 ATOM 3567 C C . ARG B 2 127 ? -27.462 19.033 -41.228 1.00 33.26 ? 127 ARG B C 1 ATOM 3568 O O . ARG B 2 127 ? -27.717 17.863 -40.942 1.00 33.71 ? 127 ARG B O 1 ATOM 3569 C CB A ARG B 2 127 ? -26.341 21.264 -40.830 0.50 33.22 ? 127 ARG B CB 1 ATOM 3570 C CB B ARG B 2 127 ? -26.394 21.311 -40.732 0.50 32.97 ? 127 ARG B CB 1 ATOM 3571 C CG A ARG B 2 127 ? -26.494 22.502 -39.969 0.50 34.33 ? 127 ARG B CG 1 ATOM 3572 C CG B ARG B 2 127 ? -26.007 22.336 -39.651 0.50 32.90 ? 127 ARG B CG 1 ATOM 3573 C CD A ARG B 2 127 ? -25.827 23.713 -40.624 0.50 33.90 ? 127 ARG B CD 1 ATOM 3574 C CD B ARG B 2 127 ? -25.310 23.563 -40.252 0.50 33.09 ? 127 ARG B CD 1 ATOM 3575 N NE A ARG B 2 127 ? -24.558 24.038 -39.974 0.50 34.36 ? 127 ARG B NE 1 ATOM 3576 N NE B ARG B 2 127 ? -26.090 24.196 -41.318 0.50 30.83 ? 127 ARG B NE 1 ATOM 3577 C CZ A ARG B 2 127 ? -23.788 25.082 -40.290 0.50 33.41 ? 127 ARG B CZ 1 ATOM 3578 C CZ B ARG B 2 127 ? -25.687 25.256 -42.018 0.50 31.17 ? 127 ARG B CZ 1 ATOM 3579 N NH1 A ARG B 2 127 ? -24.149 25.926 -41.255 0.50 33.60 ? 127 ARG B NH1 1 ATOM 3580 N NH1 B ARG B 2 127 ? -24.502 25.820 -41.783 0.50 31.06 ? 127 ARG B NH1 1 ATOM 3581 N NH2 A ARG B 2 127 ? -22.656 25.289 -39.623 0.50 32.66 ? 127 ARG B NH2 1 ATOM 3582 N NH2 B ARG B 2 127 ? -26.467 25.748 -42.971 0.50 31.65 ? 127 ARG B NH2 1 ATOM 3583 N N . ASP B 2 128 ? -27.681 19.528 -42.453 1.00 33.85 ? 128 ASP B N 1 ATOM 3584 C CA . ASP B 2 128 ? -28.287 18.702 -43.500 1.00 33.44 ? 128 ASP B CA 1 ATOM 3585 C C . ASP B 2 128 ? -27.284 17.869 -44.310 1.00 33.43 ? 128 ASP B C 1 ATOM 3586 O O . ASP B 2 128 ? -27.609 17.330 -45.375 1.00 34.00 ? 128 ASP B O 1 ATOM 3587 C CB . ASP B 2 128 ? -29.187 19.542 -44.428 1.00 33.84 ? 128 ASP B CB 1 ATOM 3588 C CG . ASP B 2 128 ? -28.430 20.650 -45.141 1.00 34.38 ? 128 ASP B CG 1 ATOM 3589 O OD1 . ASP B 2 128 ? -27.305 20.987 -44.720 1.00 35.28 ? 128 ASP B OD1 1 ATOM 3590 O OD2 . ASP B 2 128 ? -28.969 21.188 -46.132 1.00 34.76 ? 128 ASP B OD2 1 ATOM 3591 N N . ASN B 2 129 ? -26.061 17.769 -43.812 1.00 33.04 ? 129 ASN B N 1 ATOM 3592 C CA . ASN B 2 129 ? -25.084 16.885 -44.422 1.00 32.28 ? 129 ASN B CA 1 ATOM 3593 C C . ASN B 2 129 ? -25.370 15.426 -44.037 1.00 32.34 ? 129 ASN B C 1 ATOM 3594 O O . ASN B 2 129 ? -24.716 14.506 -44.537 1.00 32.13 ? 129 ASN B O 1 ATOM 3595 C CB . ASN B 2 129 ? -23.656 17.316 -44.043 1.00 32.07 ? 129 ASN B CB 1 ATOM 3596 C CG . ASN B 2 129 ? -23.138 18.499 -44.886 1.00 33.08 ? 129 ASN B CG 1 ATOM 3597 O OD1 . ASN B 2 129 ? -23.839 19.027 -45.753 1.00 33.91 ? 129 ASN B OD1 1 ATOM 3598 N ND2 . ASN B 2 129 ? -21.902 18.917 -44.616 1.00 33.39 ? 129 ASN B ND2 1 ATOM 3599 N N . VAL B 2 130 ? -26.367 15.237 -43.158 1.00 31.59 ? 130 VAL B N 1 ATOM 3600 C CA . VAL B 2 130 ? -26.798 13.914 -42.668 1.00 31.26 ? 130 VAL B CA 1 ATOM 3601 C C . VAL B 2 130 ? -28.324 13.762 -42.613 1.00 30.49 ? 130 VAL B C 1 ATOM 3602 O O . VAL B 2 130 ? -29.050 14.753 -42.623 1.00 30.22 ? 130 VAL B O 1 ATOM 3603 C CB . VAL B 2 130 ? -26.238 13.620 -41.239 1.00 30.64 ? 130 VAL B CB 1 ATOM 3604 C CG1 . VAL B 2 130 ? -24.724 13.637 -41.229 1.00 31.31 ? 130 VAL B CG1 1 ATOM 3605 C CG2 . VAL B 2 130 ? -26.798 14.612 -40.181 1.00 31.12 ? 130 VAL B CG2 1 ATOM 3606 N N . LYS B 2 131 ? -28.799 12.517 -42.528 1.00 30.91 ? 131 LYS B N 1 ATOM 3607 C CA . LYS B 2 131 ? -30.194 12.233 -42.161 1.00 31.45 ? 131 LYS B CA 1 ATOM 3608 C C . LYS B 2 131 ? -30.289 11.880 -40.676 1.00 31.20 ? 131 LYS B C 1 ATOM 3609 O O . LYS B 2 131 ? -29.542 11.037 -40.209 1.00 30.38 ? 131 LYS B O 1 ATOM 3610 C CB . LYS B 2 131 ? -30.749 11.053 -42.965 1.00 31.69 ? 131 LYS B CB 1 ATOM 3611 C CG . LYS B 2 131 ? -31.215 11.391 -44.352 1.00 34.50 ? 131 LYS B CG 1 ATOM 3612 C CD . LYS B 2 131 ? -31.997 10.241 -44.953 1.00 37.00 ? 131 LYS B CD 1 ATOM 3613 C CE . LYS B 2 131 ? -31.079 9.132 -45.468 1.00 39.83 ? 131 LYS B CE 1 ATOM 3614 N NZ . LYS B 2 131 ? -30.047 9.624 -46.429 1.00 41.80 ? 131 LYS B NZ 1 ATOM 3615 N N . GLU B 2 132 ? -31.216 12.521 -39.963 1.00 30.88 ? 132 GLU B N 1 ATOM 3616 C CA . GLU B 2 132 ? -31.593 12.137 -38.601 1.00 31.44 ? 132 GLU B CA 1 ATOM 3617 C C . GLU B 2 132 ? -32.538 10.932 -38.613 1.00 31.07 ? 132 GLU B C 1 ATOM 3618 O O . GLU B 2 132 ? -33.718 11.062 -38.963 1.00 31.34 ? 132 GLU B O 1 ATOM 3619 C CB . GLU B 2 132 ? -32.315 13.297 -37.921 1.00 31.99 ? 132 GLU B CB 1 ATOM 3620 C CG . GLU B 2 132 ? -31.516 14.059 -36.913 1.00 34.37 ? 132 GLU B CG 1 ATOM 3621 C CD . GLU B 2 132 ? -32.391 14.971 -36.086 1.00 36.20 ? 132 GLU B CD 1 ATOM 3622 O OE1 . GLU B 2 132 ? -32.585 14.697 -34.873 1.00 36.43 ? 132 GLU B OE1 1 ATOM 3623 O OE2 . GLU B 2 132 ? -32.887 15.964 -36.661 1.00 37.60 ? 132 GLU B OE2 1 ATOM 3624 N N . LEU B 2 133 ? -32.048 9.769 -38.210 1.00 30.73 ? 133 LEU B N 1 ATOM 3625 C CA . LEU B 2 133 ? -32.886 8.570 -38.266 1.00 31.28 ? 133 LEU B CA 1 ATOM 3626 C C . LEU B 2 133 ? -33.962 8.454 -37.165 1.00 31.10 ? 133 LEU B C 1 ATOM 3627 O O . LEU B 2 133 ? -34.946 7.727 -37.335 1.00 31.48 ? 133 LEU B O 1 ATOM 3628 C CB . LEU B 2 133 ? -32.027 7.301 -38.363 1.00 31.05 ? 133 LEU B CB 1 ATOM 3629 C CG . LEU B 2 133 ? -31.032 7.197 -39.520 1.00 31.42 ? 133 LEU B CG 1 ATOM 3630 C CD1 . LEU B 2 133 ? -30.308 5.883 -39.411 1.00 32.69 ? 133 LEU B CD1 1 ATOM 3631 C CD2 . LEU B 2 133 ? -31.708 7.323 -40.894 1.00 32.14 ? 133 LEU B CD2 1 ATOM 3632 N N . GLY B 2 134 ? -33.782 9.172 -36.051 1.00 30.15 ? 134 GLY B N 1 ATOM 3633 C CA . GLY B 2 134 ? -34.764 9.207 -34.961 1.00 30.39 ? 134 GLY B CA 1 ATOM 3634 C C . GLY B 2 134 ? -34.487 8.259 -33.808 1.00 30.12 ? 134 GLY B C 1 ATOM 3635 O O . GLY B 2 134 ? -35.285 8.169 -32.861 1.00 30.83 ? 134 GLY B O 1 ATOM 3636 N N . ASN B 2 135 ? -33.352 7.567 -33.887 1.00 29.62 ? 135 ASN B N 1 ATOM 3637 C CA . ASN B 2 135 ? -32.942 6.565 -32.891 1.00 29.62 ? 135 ASN B CA 1 ATOM 3638 C C . ASN B 2 135 ? -31.603 6.896 -32.220 1.00 28.39 ? 135 ASN B C 1 ATOM 3639 O O . ASN B 2 135 ? -31.010 6.040 -31.547 1.00 28.67 ? 135 ASN B O 1 ATOM 3640 C CB . ASN B 2 135 ? -32.841 5.186 -33.568 1.00 29.60 ? 135 ASN B CB 1 ATOM 3641 C CG . ASN B 2 135 ? -31.800 5.148 -34.678 1.00 31.08 ? 135 ASN B CG 1 ATOM 3642 O OD1 . ASN B 2 135 ? -31.261 6.182 -35.080 1.00 29.26 ? 135 ASN B OD1 1 ATOM 3643 N ND2 . ASN B 2 135 ? -31.509 3.947 -35.181 1.00 32.83 ? 135 ASN B ND2 1 ATOM 3644 N N . GLY B 2 136 ? -31.140 8.134 -32.393 1.00 27.50 ? 136 GLY B N 1 ATOM 3645 C CA . GLY B 2 136 ? -29.814 8.553 -31.918 1.00 27.34 ? 136 GLY B CA 1 ATOM 3646 C C . GLY B 2 136 ? -28.752 8.515 -33.020 1.00 27.73 ? 136 GLY B C 1 ATOM 3647 O O . GLY B 2 136 ? -27.614 8.950 -32.815 1.00 27.51 ? 136 GLY B O 1 ATOM 3648 N N . CYS B 2 137 ? -29.116 7.989 -34.190 1.00 27.88 ? 137 CYS B N 1 ATOM 3649 C CA . CYS B 2 137 ? -28.158 7.872 -35.284 1.00 28.58 ? 137 CYS B CA 1 ATOM 3650 C C . CYS B 2 137 ? -28.339 8.915 -36.385 1.00 27.83 ? 137 CYS B C 1 ATOM 3651 O O . CYS B 2 137 ? -29.449 9.391 -36.647 1.00 27.60 ? 137 CYS B O 1 ATOM 3652 C CB . CYS B 2 137 ? -28.230 6.476 -35.910 1.00 28.49 ? 137 CYS B CB 1 ATOM 3653 S SG . CYS B 2 137 ? -27.926 5.144 -34.747 1.00 32.55 ? 137 CYS B SG 1 ATOM 3654 N N . PHE B 2 138 ? -27.220 9.269 -37.011 1.00 27.65 ? 138 PHE B N 1 ATOM 3655 C CA . PHE B 2 138 ? -27.206 10.106 -38.207 1.00 27.09 ? 138 PHE B CA 1 ATOM 3656 C C . PHE B 2 138 ? -26.567 9.336 -39.338 1.00 27.83 ? 138 PHE B C 1 ATOM 3657 O O . PHE B 2 138 ? -25.511 8.724 -39.161 1.00 26.71 ? 138 PHE B O 1 ATOM 3658 C CB . PHE B 2 138 ? -26.377 11.365 -37.978 1.00 27.50 ? 138 PHE B CB 1 ATOM 3659 C CG . PHE B 2 138 ? -26.786 12.152 -36.776 1.00 26.45 ? 138 PHE B CG 1 ATOM 3660 C CD1 . PHE B 2 138 ? -27.731 13.154 -36.893 1.00 26.78 ? 138 PHE B CD1 1 ATOM 3661 C CD2 . PHE B 2 138 ? -26.209 11.899 -35.523 1.00 26.19 ? 138 PHE B CD2 1 ATOM 3662 C CE1 . PHE B 2 138 ? -28.105 13.895 -35.791 1.00 28.10 ? 138 PHE B CE1 1 ATOM 3663 C CE2 . PHE B 2 138 ? -26.588 12.637 -34.405 1.00 27.80 ? 138 PHE B CE2 1 ATOM 3664 C CZ . PHE B 2 138 ? -27.533 13.638 -34.553 1.00 26.68 ? 138 PHE B CZ 1 ATOM 3665 N N . GLU B 2 139 ? -27.236 9.386 -40.486 1.00 28.90 ? 139 GLU B N 1 ATOM 3666 C CA . GLU B 2 139 ? -26.751 8.780 -41.716 1.00 30.42 ? 139 GLU B CA 1 ATOM 3667 C C . GLU B 2 139 ? -26.207 9.878 -42.639 1.00 31.13 ? 139 GLU B C 1 ATOM 3668 O O . GLU B 2 139 ? -26.931 10.808 -42.982 1.00 31.58 ? 139 GLU B O 1 ATOM 3669 C CB . GLU B 2 139 ? -27.904 8.024 -42.369 1.00 30.67 ? 139 GLU B CB 1 ATOM 3670 C CG . GLU B 2 139 ? -27.508 7.099 -43.516 1.00 33.07 ? 139 GLU B CG 1 ATOM 3671 C CD . GLU B 2 139 ? -28.710 6.594 -44.281 1.00 33.99 ? 139 GLU B CD 1 ATOM 3672 O OE1 . GLU B 2 139 ? -29.646 6.024 -43.665 1.00 36.94 ? 139 GLU B OE1 1 ATOM 3673 O OE2 . GLU B 2 139 ? -28.720 6.774 -45.518 1.00 39.49 ? 139 GLU B OE2 1 ATOM 3674 N N . PHE B 2 140 ? -24.938 9.751 -43.039 1.00 32.26 ? 140 PHE B N 1 ATOM 3675 C CA . PHE B 2 140 ? -24.214 10.755 -43.838 1.00 32.65 ? 140 PHE B CA 1 ATOM 3676 C C . PHE B 2 140 ? -24.563 10.742 -45.330 1.00 33.23 ? 140 PHE B C 1 ATOM 3677 O O . PHE B 2 140 ? -24.756 9.685 -45.919 1.00 33.10 ? 140 PHE B O 1 ATOM 3678 C CB . PHE B 2 140 ? -22.697 10.545 -43.695 1.00 33.22 ? 140 PHE B CB 1 ATOM 3679 C CG . PHE B 2 140 ? -22.141 10.998 -42.371 1.00 32.27 ? 140 PHE B CG 1 ATOM 3680 C CD1 . PHE B 2 140 ? -21.584 12.264 -42.236 1.00 31.94 ? 140 PHE B CD1 1 ATOM 3681 C CD2 . PHE B 2 140 ? -22.188 10.164 -41.253 1.00 34.37 ? 140 PHE B CD2 1 ATOM 3682 C CE1 . PHE B 2 140 ? -21.073 12.696 -41.017 1.00 32.44 ? 140 PHE B CE1 1 ATOM 3683 C CE2 . PHE B 2 140 ? -21.680 10.585 -40.035 1.00 33.65 ? 140 PHE B CE2 1 ATOM 3684 C CZ . PHE B 2 140 ? -21.129 11.855 -39.907 1.00 33.34 ? 140 PHE B CZ 1 ATOM 3685 N N . TYR B 2 141 ? -24.648 11.933 -45.917 1.00 33.58 ? 141 TYR B N 1 ATOM 3686 C CA . TYR B 2 141 ? -24.852 12.103 -47.363 1.00 34.63 ? 141 TYR B CA 1 ATOM 3687 C C . TYR B 2 141 ? -23.516 12.225 -48.097 1.00 34.99 ? 141 TYR B C 1 ATOM 3688 O O . TYR B 2 141 ? -23.485 12.466 -49.307 1.00 34.57 ? 141 TYR B O 1 ATOM 3689 C CB . TYR B 2 141 ? -25.666 13.360 -47.638 1.00 34.76 ? 141 TYR B CB 1 ATOM 3690 C CG . TYR B 2 141 ? -27.152 13.247 -47.393 1.00 35.25 ? 141 TYR B CG 1 ATOM 3691 C CD1 . TYR B 2 141 ? -27.950 12.387 -48.154 1.00 35.51 ? 141 TYR B CD1 1 ATOM 3692 C CD2 . TYR B 2 141 ? -27.762 14.030 -46.423 1.00 35.78 ? 141 TYR B CD2 1 ATOM 3693 C CE1 . TYR B 2 141 ? -29.316 12.304 -47.945 1.00 35.34 ? 141 TYR B CE1 1 ATOM 3694 C CE2 . TYR B 2 141 ? -29.126 13.957 -46.202 1.00 34.91 ? 141 TYR B CE2 1 ATOM 3695 C CZ . TYR B 2 141 ? -29.893 13.090 -46.945 1.00 35.67 ? 141 TYR B CZ 1 ATOM 3696 O OH . TYR B 2 141 ? -31.244 13.036 -46.713 1.00 35.47 ? 141 TYR B OH 1 ATOM 3697 N N . HIS B 2 142 ? -22.418 12.099 -47.362 1.00 35.79 ? 142 HIS B N 1 ATOM 3698 C CA . HIS B 2 142 ? -21.076 12.049 -47.949 1.00 36.39 ? 142 HIS B CA 1 ATOM 3699 C C . HIS B 2 142 ? -20.281 10.968 -47.227 1.00 37.19 ? 142 HIS B C 1 ATOM 3700 O O . HIS B 2 142 ? -20.528 10.717 -46.056 1.00 37.08 ? 142 HIS B O 1 ATOM 3701 C CB . HIS B 2 142 ? -20.372 13.396 -47.787 1.00 36.88 ? 142 HIS B CB 1 ATOM 3702 C CG . HIS B 2 142 ? -20.091 13.777 -46.361 1.00 36.63 ? 142 HIS B CG 1 ATOM 3703 N ND1 . HIS B 2 142 ? -18.985 13.323 -45.668 1.00 36.59 ? 142 HIS B ND1 1 ATOM 3704 C CD2 . HIS B 2 142 ? -20.764 14.580 -45.502 1.00 35.96 ? 142 HIS B CD2 1 ATOM 3705 C CE1 . HIS B 2 142 ? -18.993 13.828 -44.449 1.00 36.67 ? 142 HIS B CE1 1 ATOM 3706 N NE2 . HIS B 2 142 ? -20.061 14.593 -44.321 1.00 35.26 ? 142 HIS B NE2 1 ATOM 3707 N N . LYS B 2 143 ? -19.336 10.318 -47.905 1.00 37.80 ? 143 LYS B N 1 ATOM 3708 C CA . LYS B 2 143 ? -18.514 9.317 -47.215 1.00 37.59 ? 143 LYS B CA 1 ATOM 3709 C C . LYS B 2 143 ? -17.714 9.963 -46.086 1.00 37.43 ? 143 LYS B C 1 ATOM 3710 O O . LYS B 2 143 ? -17.156 11.048 -46.233 1.00 37.18 ? 143 LYS B O 1 ATOM 3711 C CB . LYS B 2 143 ? -17.635 8.535 -48.200 1.00 38.53 ? 143 LYS B CB 1 ATOM 3712 C CG . LYS B 2 143 ? -18.442 7.520 -49.004 1.00 38.80 ? 143 LYS B CG 1 ATOM 3713 C CD . LYS B 2 143 ? -17.564 6.451 -49.637 1.00 41.40 ? 143 LYS B CD 1 ATOM 3714 C CE . LYS B 2 143 ? -18.413 5.372 -50.312 1.00 41.58 ? 143 LYS B CE 1 ATOM 3715 N NZ . LYS B 2 143 ? -19.303 4.646 -49.349 1.00 44.16 ? 143 LYS B NZ 1 ATOM 3716 N N . CYS B 2 144 ? -17.720 9.321 -44.927 1.00 37.30 ? 144 CYS B N 1 ATOM 3717 C CA . CYS B 2 144 ? -17.109 9.919 -43.746 1.00 37.20 ? 144 CYS B CA 1 ATOM 3718 C C . CYS B 2 144 ? -16.131 8.918 -43.160 1.00 37.30 ? 144 CYS B C 1 ATOM 3719 O O . CYS B 2 144 ? -16.509 8.016 -42.409 1.00 36.41 ? 144 CYS B O 1 ATOM 3720 C CB . CYS B 2 144 ? -18.186 10.374 -42.740 1.00 37.56 ? 144 CYS B CB 1 ATOM 3721 S SG . CYS B 2 144 ? -17.597 11.287 -41.263 1.00 37.25 ? 144 CYS B SG 1 ATOM 3722 N N . ASP B 2 145 ? -14.871 9.065 -43.565 1.00 37.25 ? 145 ASP B N 1 ATOM 3723 C CA . ASP B 2 145 ? -13.804 8.158 -43.150 1.00 37.89 ? 145 ASP B CA 1 ATOM 3724 C C . ASP B 2 145 ? -13.426 8.363 -41.684 1.00 38.29 ? 145 ASP B C 1 ATOM 3725 O O . ASP B 2 145 ? -14.010 9.203 -41.003 1.00 38.15 ? 145 ASP B O 1 ATOM 3726 C CB . ASP B 2 145 ? -12.583 8.275 -44.086 1.00 37.71 ? 145 ASP B CB 1 ATOM 3727 C CG . ASP B 2 145 ? -11.828 9.602 -43.947 1.00 38.36 ? 145 ASP B CG 1 ATOM 3728 O OD1 . ASP B 2 145 ? -12.038 10.367 -42.984 1.00 39.97 ? 145 ASP B OD1 1 ATOM 3729 O OD2 . ASP B 2 145 ? -10.986 9.872 -44.827 1.00 40.33 ? 145 ASP B OD2 1 ATOM 3730 N N . ASP B 2 146 ? -12.442 7.609 -41.206 1.00 38.92 ? 146 ASP B N 1 ATOM 3731 C CA . ASP B 2 146 ? -12.085 7.639 -39.787 1.00 39.72 ? 146 ASP B CA 1 ATOM 3732 C C . ASP B 2 146 ? -11.664 9.014 -39.271 1.00 39.66 ? 146 ASP B C 1 ATOM 3733 O O . ASP B 2 146 ? -11.999 9.382 -38.143 1.00 39.70 ? 146 ASP B O 1 ATOM 3734 C CB . ASP B 2 146 ? -11.015 6.589 -39.472 1.00 40.33 ? 146 ASP B CB 1 ATOM 3735 C CG . ASP B 2 146 ? -11.582 5.176 -39.395 1.00 41.92 ? 146 ASP B CG 1 ATOM 3736 O OD1 . ASP B 2 146 ? -12.819 5.016 -39.304 1.00 43.08 ? 146 ASP B OD1 1 ATOM 3737 O OD2 . ASP B 2 146 ? -10.782 4.217 -39.417 1.00 44.04 ? 146 ASP B OD2 1 ATOM 3738 N N . GLU B 2 147 ? -10.945 9.777 -40.092 1.00 39.74 ? 147 GLU B N 1 ATOM 3739 C CA . GLU B 2 147 ? -10.544 11.134 -39.704 1.00 40.19 ? 147 GLU B CA 1 ATOM 3740 C C . GLU B 2 147 ? -11.735 12.092 -39.643 1.00 39.40 ? 147 GLU B C 1 ATOM 3741 O O . GLU B 2 147 ? -11.787 12.967 -38.772 1.00 39.21 ? 147 GLU B O 1 ATOM 3742 C CB . GLU B 2 147 ? -9.460 11.684 -40.637 1.00 40.84 ? 147 GLU B CB 1 ATOM 3743 C CG . GLU B 2 147 ? -8.129 10.917 -40.590 1.00 43.70 ? 147 GLU B CG 1 ATOM 3744 C CD . GLU B 2 147 ? -7.410 10.985 -39.234 1.00 46.35 ? 147 GLU B CD 1 ATOM 3745 O OE1 . GLU B 2 147 ? -7.879 11.674 -38.296 1.00 48.23 ? 147 GLU B OE1 1 ATOM 3746 O OE2 . GLU B 2 147 ? -6.352 10.333 -39.102 1.00 48.38 ? 147 GLU B OE2 1 ATOM 3747 N N . CYS B 2 148 ? -12.674 11.912 -40.576 1.00 38.92 ? 148 CYS B N 1 ATOM 3748 C CA . CYS B 2 148 ? -13.926 12.661 -40.613 1.00 38.01 ? 148 CYS B CA 1 ATOM 3749 C C . CYS B 2 148 ? -14.704 12.361 -39.326 1.00 37.01 ? 148 CYS B C 1 ATOM 3750 O O . CYS B 2 148 ? -15.105 13.285 -38.612 1.00 36.90 ? 148 CYS B O 1 ATOM 3751 C CB . CYS B 2 148 ? -14.733 12.291 -41.868 1.00 37.87 ? 148 CYS B CB 1 ATOM 3752 S SG . CYS B 2 148 ? -16.463 12.897 -41.971 1.00 40.53 ? 148 CYS B SG 1 ATOM 3753 N N . MET B 2 149 ? -14.882 11.074 -39.026 1.00 36.12 ? 149 MET B N 1 ATOM 3754 C CA . MET B 2 149 ? -15.539 10.650 -37.771 1.00 35.65 ? 149 MET B CA 1 ATOM 3755 C C . MET B 2 149 ? -14.882 11.256 -36.527 1.00 35.59 ? 149 MET B C 1 ATOM 3756 O O . MET B 2 149 ? -15.572 11.680 -35.602 1.00 34.70 ? 149 MET B O 1 ATOM 3757 C CB . MET B 2 149 ? -15.586 9.121 -37.656 1.00 35.78 ? 149 MET B CB 1 ATOM 3758 C CG . MET B 2 149 ? -16.468 8.411 -38.687 1.00 35.77 ? 149 MET B CG 1 ATOM 3759 S SD . MET B 2 149 ? -18.238 8.740 -38.507 1.00 38.17 ? 149 MET B SD 1 ATOM 3760 C CE . MET B 2 149 ? -18.935 7.659 -39.750 1.00 36.04 ? 149 MET B CE 1 ATOM 3761 N N . ASN B 2 150 ? -13.552 11.307 -36.502 1.00 35.04 ? 150 ASN B N 1 ATOM 3762 C CA . ASN B 2 150 ? -12.850 11.922 -35.380 1.00 35.02 ? 150 ASN B CA 1 ATOM 3763 C C . ASN B 2 150 ? -13.151 13.417 -35.239 1.00 34.75 ? 150 ASN B C 1 ATOM 3764 O O . ASN B 2 150 ? -13.264 13.921 -34.127 1.00 35.03 ? 150 ASN B O 1 ATOM 3765 C CB . ASN B 2 150 ? -11.339 11.679 -35.466 1.00 35.27 ? 150 ASN B CB 1 ATOM 3766 C CG . ASN B 2 150 ? -10.956 10.222 -35.227 1.00 35.90 ? 150 ASN B CG 1 ATOM 3767 O OD1 . ASN B 2 150 ? -11.727 9.437 -34.662 1.00 35.79 ? 150 ASN B OD1 1 ATOM 3768 N ND2 . ASN B 2 150 ? -9.746 9.859 -35.650 1.00 36.13 ? 150 ASN B ND2 1 ATOM 3769 N N . SER B 2 151 ? -13.290 14.123 -36.361 1.00 34.25 ? 151 SER B N 1 ATOM 3770 C CA . SER B 2 151 ? -13.636 15.549 -36.301 1.00 34.11 ? 151 SER B CA 1 ATOM 3771 C C . SER B 2 151 ? -15.034 15.794 -35.729 1.00 33.55 ? 151 SER B C 1 ATOM 3772 O O . SER B 2 151 ? -15.236 16.766 -34.995 1.00 34.11 ? 151 SER B O 1 ATOM 3773 C CB . SER B 2 151 ? -13.497 16.226 -37.667 1.00 34.09 ? 151 SER B CB 1 ATOM 3774 O OG . SER B 2 151 ? -14.581 15.901 -38.512 1.00 34.79 ? 151 SER B OG 1 ATOM 3775 N N . VAL B 2 152 ? -15.982 14.912 -36.054 1.00 33.09 ? 152 VAL B N 1 ATOM 3776 C CA . VAL B 2 152 ? -17.343 14.971 -35.482 1.00 33.68 ? 152 VAL B CA 1 ATOM 3777 C C . VAL B 2 152 ? -17.260 14.786 -33.967 1.00 34.45 ? 152 VAL B C 1 ATOM 3778 O O . VAL B 2 152 ? -17.876 15.534 -33.197 1.00 34.05 ? 152 VAL B O 1 ATOM 3779 C CB . VAL B 2 152 ? -18.278 13.866 -36.061 1.00 33.67 ? 152 VAL B CB 1 ATOM 3780 C CG1 . VAL B 2 152 ? -19.667 13.897 -35.381 1.00 32.83 ? 152 VAL B CG1 1 ATOM 3781 C CG2 . VAL B 2 152 ? -18.406 13.979 -37.573 1.00 32.83 ? 152 VAL B CG2 1 ATOM 3782 N N . LYS B 2 153 ? -16.469 13.795 -33.560 1.00 35.54 ? 153 LYS B N 1 ATOM 3783 C CA . LYS B 2 153 ? -16.359 13.390 -32.158 1.00 37.10 ? 153 LYS B CA 1 ATOM 3784 C C . LYS B 2 153 ? -15.606 14.386 -31.272 1.00 38.07 ? 153 LYS B C 1 ATOM 3785 O O . LYS B 2 153 ? -15.806 14.398 -30.062 1.00 38.77 ? 153 LYS B O 1 ATOM 3786 C CB . LYS B 2 153 ? -15.712 12.009 -32.045 1.00 36.58 ? 153 LYS B CB 1 ATOM 3787 C CG . LYS B 2 153 ? -16.464 10.872 -32.714 1.00 37.20 ? 153 LYS B CG 1 ATOM 3788 C CD . LYS B 2 153 ? -15.891 9.564 -32.224 1.00 40.04 ? 153 LYS B CD 1 ATOM 3789 C CE . LYS B 2 153 ? -15.645 8.575 -33.332 1.00 41.01 ? 153 LYS B CE 1 ATOM 3790 N NZ . LYS B 2 153 ? -14.962 7.371 -32.772 1.00 43.33 ? 153 LYS B NZ 1 ATOM 3791 N N . ASN B 2 154 ? -14.735 15.205 -31.870 1.00 39.64 ? 154 ASN B N 1 ATOM 3792 C CA . ASN B 2 154 ? -14.067 16.269 -31.109 1.00 41.20 ? 154 ASN B CA 1 ATOM 3793 C C . ASN B 2 154 ? -14.597 17.689 -31.382 1.00 41.00 ? 154 ASN B C 1 ATOM 3794 O O . ASN B 2 154 ? -14.025 18.678 -30.908 1.00 41.04 ? 154 ASN B O 1 ATOM 3795 C CB . ASN B 2 154 ? -12.523 16.156 -31.146 1.00 42.00 ? 154 ASN B CB 1 ATOM 3796 C CG . ASN B 2 154 ? -11.914 16.529 -32.489 1.00 45.88 ? 154 ASN B CG 1 ATOM 3797 O OD1 . ASN B 2 154 ? -12.617 16.899 -33.432 1.00 47.47 ? 154 ASN B OD1 1 ATOM 3798 N ND2 . ASN B 2 154 ? -10.570 16.428 -32.571 1.00 52.27 ? 154 ASN B ND2 1 ATOM 3799 N N . GLY B 2 155 ? -15.710 17.772 -32.116 1.00 40.29 ? 155 GLY B N 1 ATOM 3800 C CA . GLY B 2 155 ? -16.458 19.024 -32.257 1.00 39.85 ? 155 GLY B CA 1 ATOM 3801 C C . GLY B 2 155 ? -15.897 19.973 -33.299 1.00 39.75 ? 155 GLY B C 1 ATOM 3802 O O . GLY B 2 155 ? -16.219 21.162 -33.304 1.00 39.70 ? 155 GLY B O 1 ATOM 3803 N N . THR B 2 156 ? -15.070 19.441 -34.192 1.00 39.22 ? 156 THR B N 1 ATOM 3804 C CA . THR B 2 156 ? -14.408 20.239 -35.209 1.00 39.16 ? 156 THR B CA 1 ATOM 3805 C C . THR B 2 156 ? -14.802 19.754 -36.607 1.00 38.86 ? 156 THR B C 1 ATOM 3806 O O . THR B 2 156 ? -13.993 19.779 -37.546 1.00 39.39 ? 156 THR B O 1 ATOM 3807 C CB . THR B 2 156 ? -12.861 20.226 -35.038 1.00 39.13 ? 156 THR B CB 1 ATOM 3808 O OG1 . THR B 2 156 ? -12.364 18.891 -35.208 1.00 38.27 ? 156 THR B OG1 1 ATOM 3809 C CG2 . THR B 2 156 ? -12.454 20.767 -33.668 1.00 39.82 ? 156 THR B CG2 1 ATOM 3810 N N . TYR B 2 157 ? -16.052 19.308 -36.745 1.00 38.24 ? 157 TYR B N 1 ATOM 3811 C CA . TYR B 2 157 ? -16.580 18.910 -38.052 1.00 37.61 ? 157 TYR B CA 1 ATOM 3812 C C . TYR B 2 157 ? -16.731 20.130 -38.956 1.00 37.91 ? 157 TYR B C 1 ATOM 3813 O O . TYR B 2 157 ? -17.214 21.189 -38.539 1.00 37.97 ? 157 TYR B O 1 ATOM 3814 C CB . TYR B 2 157 ? -17.912 18.153 -37.926 1.00 36.75 ? 157 TYR B CB 1 ATOM 3815 C CG . TYR B 2 157 ? -18.596 17.815 -39.250 1.00 35.70 ? 157 TYR B CG 1 ATOM 3816 C CD1 . TYR B 2 157 ? -18.205 16.709 -40.008 1.00 33.61 ? 157 TYR B CD1 1 ATOM 3817 C CD2 . TYR B 2 157 ? -19.649 18.600 -39.739 1.00 35.49 ? 157 TYR B CD2 1 ATOM 3818 C CE1 . TYR B 2 157 ? -18.843 16.387 -41.206 1.00 33.99 ? 157 TYR B CE1 1 ATOM 3819 C CE2 . TYR B 2 157 ? -20.286 18.286 -40.952 1.00 35.33 ? 157 TYR B CE2 1 ATOM 3820 C CZ . TYR B 2 157 ? -19.879 17.179 -41.677 1.00 33.85 ? 157 TYR B CZ 1 ATOM 3821 O OH . TYR B 2 157 ? -20.494 16.864 -42.869 1.00 34.24 ? 157 TYR B OH 1 ATOM 3822 N N . ASP B 2 158 ? -16.316 19.953 -40.198 1.00 38.17 ? 158 ASP B N 1 ATOM 3823 C CA . ASP B 2 158 ? -16.232 21.037 -41.154 1.00 38.37 ? 158 ASP B CA 1 ATOM 3824 C C . ASP B 2 158 ? -17.398 20.931 -42.142 1.00 38.19 ? 158 ASP B C 1 ATOM 3825 O O . ASP B 2 158 ? -17.287 20.271 -43.169 1.00 37.35 ? 158 ASP B O 1 ATOM 3826 C CB . ASP B 2 158 ? -14.874 20.944 -41.855 1.00 38.51 ? 158 ASP B CB 1 ATOM 3827 C CG . ASP B 2 158 ? -14.490 22.215 -42.598 1.00 39.93 ? 158 ASP B CG 1 ATOM 3828 O OD1 . ASP B 2 158 ? -15.375 23.029 -42.938 1.00 40.38 ? 158 ASP B OD1 1 ATOM 3829 O OD2 . ASP B 2 158 ? -13.279 22.384 -42.864 1.00 41.25 ? 158 ASP B OD2 1 ATOM 3830 N N . TYR B 2 159 ? -18.524 21.562 -41.797 1.00 38.24 ? 159 TYR B N 1 ATOM 3831 C CA . TYR B 2 159 ? -19.729 21.555 -42.654 1.00 37.34 ? 159 TYR B CA 1 ATOM 3832 C C . TYR B 2 159 ? -19.473 22.083 -44.074 1.00 37.46 ? 159 TYR B C 1 ATOM 3833 O O . TYR B 2 159 ? -19.815 21.404 -45.049 1.00 36.97 ? 159 TYR B O 1 ATOM 3834 C CB . TYR B 2 159 ? -20.900 22.308 -41.986 1.00 37.35 ? 159 TYR B CB 1 ATOM 3835 C CG . TYR B 2 159 ? -22.145 22.454 -42.858 1.00 36.19 ? 159 TYR B CG 1 ATOM 3836 C CD1 . TYR B 2 159 ? -23.112 21.453 -42.891 1.00 37.12 ? 159 TYR B CD1 1 ATOM 3837 C CD2 . TYR B 2 159 ? -22.360 23.598 -43.631 1.00 37.71 ? 159 TYR B CD2 1 ATOM 3838 C CE1 . TYR B 2 159 ? -24.254 21.570 -43.689 1.00 36.03 ? 159 TYR B CE1 1 ATOM 3839 C CE2 . TYR B 2 159 ? -23.505 23.730 -44.428 1.00 36.26 ? 159 TYR B CE2 1 ATOM 3840 C CZ . TYR B 2 159 ? -24.451 22.707 -44.439 1.00 36.81 ? 159 TYR B CZ 1 ATOM 3841 O OH . TYR B 2 159 ? -25.590 22.799 -45.200 1.00 35.12 ? 159 TYR B OH 1 ATOM 3842 N N . PRO B 2 160 ? -18.895 23.300 -44.193 1.00 37.40 ? 160 PRO B N 1 ATOM 3843 C CA . PRO B 2 160 ? -18.568 23.882 -45.497 1.00 37.43 ? 160 PRO B CA 1 ATOM 3844 C C . PRO B 2 160 ? -17.769 22.939 -46.400 1.00 37.26 ? 160 PRO B C 1 ATOM 3845 O O . PRO B 2 160 ? -18.025 22.899 -47.595 1.00 37.30 ? 160 PRO B O 1 ATOM 3846 C CB . PRO B 2 160 ? -17.739 25.112 -45.121 1.00 37.35 ? 160 PRO B CB 1 ATOM 3847 C CG . PRO B 2 160 ? -18.288 25.529 -43.814 1.00 37.31 ? 160 PRO B CG 1 ATOM 3848 C CD . PRO B 2 160 ? -18.544 24.231 -43.097 1.00 37.75 ? 160 PRO B CD 1 ATOM 3849 N N . LYS B 2 161 ? -16.824 22.201 -45.814 1.00 37.77 ? 161 LYS B N 1 ATOM 3850 C CA . LYS B 2 161 ? -15.987 21.201 -46.510 1.00 37.80 ? 161 LYS B CA 1 ATOM 3851 C C . LYS B 2 161 ? -16.769 20.121 -47.265 1.00 37.92 ? 161 LYS B C 1 ATOM 3852 O O . LYS B 2 161 ? -16.380 19.716 -48.364 1.00 37.82 ? 161 LYS B O 1 ATOM 3853 C CB . LYS B 2 161 ? -15.034 20.539 -45.503 1.00 38.10 ? 161 LYS B CB 1 ATOM 3854 C CG . LYS B 2 161 ? -14.047 19.522 -46.087 1.00 37.65 ? 161 LYS B CG 1 ATOM 3855 C CD . LYS B 2 161 ? -13.109 19.008 -44.997 1.00 38.45 ? 161 LYS B CD 1 ATOM 3856 C CE . LYS B 2 161 ? -12.076 18.030 -45.549 1.00 39.93 ? 161 LYS B CE 1 ATOM 3857 N NZ . LYS B 2 161 ? -12.700 16.978 -46.424 1.00 41.32 ? 161 LYS B NZ 1 ATOM 3858 N N . TYR B 2 162 ? -17.870 19.657 -46.683 1.00 38.11 ? 162 TYR B N 1 ATOM 3859 C CA . TYR B 2 162 ? -18.652 18.565 -47.281 1.00 38.55 ? 162 TYR B CA 1 ATOM 3860 C C . TYR B 2 162 ? -19.995 19.038 -47.827 1.00 38.44 ? 162 TYR B C 1 ATOM 3861 O O . TYR B 2 162 ? -20.785 18.246 -48.333 1.00 38.32 ? 162 TYR B O 1 ATOM 3862 C CB . TYR B 2 162 ? -18.863 17.458 -46.240 1.00 38.69 ? 162 TYR B CB 1 ATOM 3863 C CG . TYR B 2 162 ? -17.576 16.868 -45.719 1.00 39.45 ? 162 TYR B CG 1 ATOM 3864 C CD1 . TYR B 2 162 ? -16.893 15.888 -46.449 1.00 39.23 ? 162 TYR B CD1 1 ATOM 3865 C CD2 . TYR B 2 162 ? -17.030 17.298 -44.509 1.00 38.96 ? 162 TYR B CD2 1 ATOM 3866 C CE1 . TYR B 2 162 ? -15.703 15.342 -45.981 1.00 39.68 ? 162 TYR B CE1 1 ATOM 3867 C CE2 . TYR B 2 162 ? -15.836 16.756 -44.026 1.00 39.72 ? 162 TYR B CE2 1 ATOM 3868 C CZ . TYR B 2 162 ? -15.179 15.778 -44.775 1.00 40.13 ? 162 TYR B CZ 1 ATOM 3869 O OH . TYR B 2 162 ? -14.000 15.238 -44.312 1.00 41.11 ? 162 TYR B OH 1 ATOM 3870 N N . GLU B 2 163 ? -20.239 20.341 -47.736 1.00 39.10 ? 163 GLU B N 1 ATOM 3871 C CA . GLU B 2 163 ? -21.540 20.917 -48.060 1.00 39.89 ? 163 GLU B CA 1 ATOM 3872 C C . GLU B 2 163 ? -21.965 20.624 -49.492 1.00 39.58 ? 163 GLU B C 1 ATOM 3873 O O . GLU B 2 163 ? -23.101 20.208 -49.733 1.00 39.01 ? 163 GLU B O 1 ATOM 3874 C CB . GLU B 2 163 ? -21.532 22.426 -47.778 1.00 39.86 ? 163 GLU B CB 1 ATOM 3875 C CG . GLU B 2 163 ? -22.600 23.222 -48.516 1.00 41.47 ? 163 GLU B CG 1 ATOM 3876 C CD . GLU B 2 163 ? -22.819 24.607 -47.931 1.00 41.61 ? 163 GLU B CD 1 ATOM 3877 O OE1 . GLU B 2 163 ? -21.958 25.093 -47.159 1.00 43.63 ? 163 GLU B OE1 1 ATOM 3878 O OE2 . GLU B 2 163 ? -23.865 25.213 -48.246 1.00 45.13 ? 163 GLU B OE2 1 ATOM 3879 N N . GLU B 2 164 ? -21.023 20.813 -50.416 1.00 39.75 ? 164 GLU B N 1 ATOM 3880 C CA . GLU B 2 164 ? -21.238 20.647 -51.854 1.00 40.24 ? 164 GLU B CA 1 ATOM 3881 C C . GLU B 2 164 ? -21.583 19.194 -52.217 1.00 39.44 ? 164 GLU B C 1 ATOM 3882 O O . GLU B 2 164 ? -22.633 18.928 -52.809 1.00 39.40 ? 164 GLU B O 1 ATOM 3883 C CB . GLU B 2 164 ? -20.014 21.165 -52.636 1.00 40.25 ? 164 GLU B CB 1 ATOM 3884 C CG . GLU B 2 164 ? -19.704 22.667 -52.416 1.00 41.68 ? 164 GLU B CG 1 ATOM 3885 C CD . GLU B 2 164 ? -18.325 23.100 -52.926 1.00 41.77 ? 164 GLU B CD 1 ATOM 3886 O OE1 . GLU B 2 164 ? -18.145 23.226 -54.159 1.00 43.58 ? 164 GLU B OE1 1 ATOM 3887 O OE2 . GLU B 2 164 ? -17.425 23.337 -52.088 1.00 44.32 ? 164 GLU B OE2 1 ATOM 3888 N N . GLU B 2 165 ? -20.710 18.266 -51.830 1.00 39.08 ? 165 GLU B N 1 ATOM 3889 C CA . GLU B 2 165 ? -20.903 16.826 -52.061 1.00 39.08 ? 165 GLU B CA 1 ATOM 3890 C C . GLU B 2 165 ? -22.207 16.289 -51.435 1.00 39.04 ? 165 GLU B C 1 ATOM 3891 O O . GLU B 2 165 ? -22.900 15.474 -52.046 1.00 39.33 ? 165 GLU B O 1 ATOM 3892 C CB . GLU B 2 165 ? -19.696 16.046 -51.506 1.00 39.07 ? 165 GLU B CB 1 ATOM 3893 C CG . GLU B 2 165 ? -19.866 14.520 -51.516 1.00 39.50 ? 165 GLU B CG 1 ATOM 3894 C CD . GLU B 2 165 ? -18.746 13.757 -50.812 1.00 40.11 ? 165 GLU B CD 1 ATOM 3895 O OE1 . GLU B 2 165 ? -17.809 14.383 -50.250 1.00 40.40 ? 165 GLU B OE1 1 ATOM 3896 O OE2 . GLU B 2 165 ? -18.814 12.502 -50.818 1.00 41.81 ? 165 GLU B OE2 1 ATOM 3897 N N . SER B 2 166 ? -22.534 16.738 -50.220 1.00 38.96 ? 166 SER B N 1 ATOM 3898 C CA . SER B 2 166 ? -23.709 16.214 -49.515 1.00 38.77 ? 166 SER B CA 1 ATOM 3899 C C . SER B 2 166 ? -25.006 16.599 -50.222 1.00 39.23 ? 166 SER B C 1 ATOM 3900 O O . SER B 2 166 ? -25.862 15.741 -50.469 1.00 39.43 ? 166 SER B O 1 ATOM 3901 C CB . SER B 2 166 ? -23.741 16.667 -48.046 1.00 38.48 ? 166 SER B CB 1 ATOM 3902 O OG . SER B 2 166 ? -22.554 16.314 -47.348 1.00 36.78 ? 166 SER B OG 1 ATOM 3903 N N . LYS B 2 167 ? -25.123 17.879 -50.575 1.00 39.98 ? 167 LYS B N 1 ATOM 3904 C CA . LYS B 2 167 ? -26.325 18.409 -51.231 1.00 40.88 ? 167 LYS B CA 1 ATOM 3905 C C . LYS B 2 167 ? -26.592 17.808 -52.613 1.00 41.02 ? 167 LYS B C 1 ATOM 3906 O O . LYS B 2 167 ? -27.747 17.614 -52.989 1.00 40.97 ? 167 LYS B O 1 ATOM 3907 C CB . LYS B 2 167 ? -26.349 19.954 -51.244 1.00 41.42 ? 167 LYS B CB 1 ATOM 3908 C CG . LYS B 2 167 ? -25.215 20.675 -51.977 1.00 41.89 ? 167 LYS B CG 1 ATOM 3909 C CD . LYS B 2 167 ? -25.598 21.061 -53.415 1.00 43.32 ? 167 LYS B CD 1 ATOM 3910 C CE . LYS B 2 167 ? -24.674 22.152 -53.999 1.00 43.88 ? 167 LYS B CE 1 ATOM 3911 N NZ . LYS B 2 167 ? -23.243 21.761 -54.240 1.00 43.47 ? 167 LYS B NZ 1 ATOM 3912 N N . LEU B 2 168 ? -25.530 17.496 -53.352 1.00 41.61 ? 168 LEU B N 1 ATOM 3913 C CA . LEU B 2 168 ? -25.672 16.794 -54.625 1.00 42.13 ? 168 LEU B CA 1 ATOM 3914 C C . LEU B 2 168 ? -26.227 15.379 -54.415 1.00 42.31 ? 168 LEU B C 1 ATOM 3915 O O . LEU B 2 168 ? -27.103 14.931 -55.159 1.00 42.08 ? 168 LEU B O 1 ATOM 3916 C CB . LEU B 2 168 ? -24.334 16.753 -55.388 1.00 42.43 ? 168 LEU B CB 1 ATOM 3917 C CG . LEU B 2 168 ? -23.655 18.063 -55.836 1.00 43.06 ? 168 LEU B CG 1 ATOM 3918 C CD1 . LEU B 2 168 ? -22.217 17.798 -56.303 1.00 42.79 ? 168 LEU B CD1 1 ATOM 3919 C CD2 . LEU B 2 168 ? -24.438 18.785 -56.923 1.00 44.15 ? 168 LEU B CD2 1 ATOM 3920 N N . ASN B 2 169 ? -25.726 14.693 -53.386 1.00 42.38 ? 169 ASN B N 1 ATOM 3921 C CA . ASN B 2 169 ? -26.132 13.314 -53.083 1.00 42.78 ? 169 ASN B CA 1 ATOM 3922 C C . ASN B 2 169 ? -27.536 13.194 -52.502 1.00 43.19 ? 169 ASN B C 1 ATOM 3923 O O . ASN B 2 169 ? -28.238 12.201 -52.726 1.00 43.02 ? 169 ASN B O 1 ATOM 3924 C CB . ASN B 2 169 ? -25.124 12.673 -52.136 1.00 42.46 ? 169 ASN B CB 1 ATOM 3925 C CG . ASN B 2 169 ? -23.759 12.527 -52.767 1.00 43.19 ? 169 ASN B CG 1 ATOM 3926 O OD1 . ASN B 2 169 ? -23.634 12.434 -53.998 1.00 43.46 ? 169 ASN B OD1 1 ATOM 3927 N ND2 . ASN B 2 169 ? -22.724 12.517 -51.940 1.00 40.46 ? 169 ASN B ND2 1 ATOM 3928 N N . ARG B 2 170 ? -27.929 14.220 -51.758 1.00 43.59 ? 170 ARG B N 1 ATOM 3929 C CA . ARG B 2 170 ? -29.235 14.283 -51.138 1.00 44.56 ? 170 ARG B CA 1 ATOM 3930 C C . ARG B 2 170 ? -30.301 14.453 -52.205 1.00 45.27 ? 170 ARG B C 1 ATOM 3931 O O . ARG B 2 170 ? -31.417 13.962 -52.056 1.00 45.85 ? 170 ARG B O 1 ATOM 3932 C CB . ARG B 2 170 ? -29.270 15.454 -50.153 1.00 44.19 ? 170 ARG B CB 1 ATOM 3933 C CG . ARG B 2 170 ? -30.507 15.523 -49.283 1.00 44.10 ? 170 ARG B CG 1 ATOM 3934 C CD . ARG B 2 170 ? -30.339 16.552 -48.190 1.00 42.19 ? 170 ARG B CD 1 ATOM 3935 N NE . ARG B 2 170 ? -30.156 17.903 -48.714 1.00 42.04 ? 170 ARG B NE 1 ATOM 3936 C CZ . ARG B 2 170 ? -29.049 18.632 -48.579 1.00 41.80 ? 170 ARG B CZ 1 ATOM 3937 N NH1 . ARG B 2 170 ? -27.986 18.157 -47.930 1.00 41.16 ? 170 ARG B NH1 1 ATOM 3938 N NH2 . ARG B 2 170 ? -29.010 19.851 -49.093 1.00 42.38 ? 170 ARG B NH2 1 ATOM 3939 N N . ASN B 2 171 ? -29.926 15.129 -53.290 1.00 46.03 ? 171 ASN B N 1 ATOM 3940 C CA . ASN B 2 171 ? -30.852 15.536 -54.351 1.00 46.65 ? 171 ASN B CA 1 ATOM 3941 C C . ASN B 2 171 ? -30.945 14.621 -55.572 1.00 47.09 ? 171 ASN B C 1 ATOM 3942 O O . ASN B 2 171 ? -32.008 14.528 -56.190 1.00 47.39 ? 171 ASN B O 1 ATOM 3943 C CB . ASN B 2 171 ? -30.508 16.951 -54.818 1.00 46.67 ? 171 ASN B CB 1 ATOM 3944 C CG . ASN B 2 171 ? -30.795 18.000 -53.763 1.00 46.95 ? 171 ASN B CG 1 ATOM 3945 O OD1 . ASN B 2 171 ? -31.583 17.778 -52.842 1.00 48.48 ? 171 ASN B OD1 1 ATOM 3946 N ND2 . ASN B 2 171 ? -30.160 19.161 -53.899 1.00 47.72 ? 171 ASN B ND2 1 ATOM 3947 N N . GLU B 2 172 ? -29.840 13.968 -55.929 1.00 47.55 ? 172 GLU B N 1 ATOM 3948 C CA . GLU B 2 172 ? -29.742 13.207 -57.190 1.00 48.04 ? 172 GLU B CA 1 ATOM 3949 C C . GLU B 2 172 ? -30.902 12.239 -57.435 1.00 48.04 ? 172 GLU B C 1 ATOM 3950 O O . GLU B 2 172 ? -31.482 11.692 -56.495 1.00 47.69 ? 172 GLU B O 1 ATOM 3951 C CB . GLU B 2 172 ? -28.404 12.462 -57.284 1.00 48.13 ? 172 GLU B CB 1 ATOM 3952 C CG . GLU B 2 172 ? -28.091 11.569 -56.085 1.00 48.26 ? 172 GLU B CG 1 ATOM 3953 C CD . GLU B 2 172 ? -26.950 10.603 -56.347 1.00 48.82 ? 172 GLU B CD 1 ATOM 3954 O OE1 . GLU B 2 172 ? -26.192 10.808 -57.325 1.00 50.09 ? 172 GLU B OE1 1 ATOM 3955 O OE2 . GLU B 2 172 ? -26.811 9.632 -55.568 1.00 49.97 ? 172 GLU B OE2 1 HETATM 3956 C C1 . NAG C 3 . ? -5.665 27.595 51.293 1.00 33.25 ? 330 NAG A C1 1 HETATM 3957 C C2 . NAG C 3 . ? -5.649 28.834 52.208 1.00 37.49 ? 330 NAG A C2 1 HETATM 3958 C C3 . NAG C 3 . ? -5.144 30.050 51.434 1.00 41.07 ? 330 NAG A C3 1 HETATM 3959 C C4 . NAG C 3 . ? -3.763 29.684 50.892 1.00 44.08 ? 330 NAG A C4 1 HETATM 3960 C C5 . NAG C 3 . ? -3.875 28.487 49.927 1.00 40.32 ? 330 NAG A C5 1 HETATM 3961 C C6 . NAG C 3 . ? -2.539 28.080 49.308 1.00 40.99 ? 330 NAG A C6 1 HETATM 3962 C C7 . NAG C 3 . ? -7.095 29.419 54.131 1.00 37.01 ? 330 NAG A C7 1 HETATM 3963 C C8 . NAG C 3 . ? -8.515 29.554 54.601 1.00 36.10 ? 330 NAG A C8 1 HETATM 3964 N N2 . NAG C 3 . ? -6.930 29.104 52.841 1.00 35.36 ? 330 NAG A N2 1 HETATM 3965 O O3 . NAG C 3 . ? -5.010 31.147 52.316 1.00 42.37 ? 330 NAG A O3 1 HETATM 3966 O O4 . NAG C 3 . ? -2.965 30.819 50.528 1.00 51.81 ? 330 NAG A O4 1 HETATM 3967 O O5 . NAG C 3 . ? -4.373 27.401 50.701 1.00 35.24 ? 330 NAG A O5 1 HETATM 3968 O O6 . NAG C 3 . ? -1.609 27.755 50.320 1.00 43.18 ? 330 NAG A O6 1 HETATM 3969 O O7 . NAG C 3 . ? -6.171 29.620 54.939 1.00 38.51 ? 330 NAG A O7 1 HETATM 3970 C C1 . NAG D 3 . ? -3.154 31.551 49.287 1.00 56.42 ? 331 NAG A C1 1 HETATM 3971 C C2 . NAG D 3 . ? -1.814 31.500 48.507 1.00 58.07 ? 331 NAG A C2 1 HETATM 3972 C C3 . NAG D 3 . ? -1.884 31.231 46.990 1.00 58.50 ? 331 NAG A C3 1 HETATM 3973 C C4 . NAG D 3 . ? -3.291 30.939 46.476 1.00 57.86 ? 331 NAG A C4 1 HETATM 3974 C C5 . NAG D 3 . ? -4.285 31.802 47.237 1.00 57.84 ? 331 NAG A C5 1 HETATM 3975 C C6 . NAG D 3 . ? -5.678 31.813 46.615 1.00 58.61 ? 331 NAG A C6 1 HETATM 3976 C C7 . NAG D 3 . ? -0.163 32.857 49.708 1.00 61.43 ? 331 NAG A C7 1 HETATM 3977 C C8 . NAG D 3 . ? 1.265 33.081 49.290 1.00 61.44 ? 331 NAG A C8 1 HETATM 3978 N N2 . NAG D 3 . ? -1.066 32.731 48.734 1.00 60.55 ? 331 NAG A N2 1 HETATM 3979 O O3 . NAG D 3 . ? -1.011 30.176 46.626 1.00 58.88 ? 331 NAG A O3 1 HETATM 3980 O O4 . NAG D 3 . ? -3.356 31.170 45.092 1.00 58.67 ? 331 NAG A O4 1 HETATM 3981 O O5 . NAG D 3 . ? -4.324 31.251 48.538 1.00 57.73 ? 331 NAG A O5 1 HETATM 3982 O O6 . NAG D 3 . ? -5.630 32.474 45.368 1.00 58.05 ? 331 NAG A O6 1 HETATM 3983 O O7 . NAG D 3 . ? -0.459 32.798 50.904 1.00 62.26 ? 331 NAG A O7 1 HETATM 3984 C C1 . NAG E 3 . ? -36.723 -4.077 -7.824 1.00 51.42 ? 332 NAG A C1 1 HETATM 3985 C C2 . NAG E 3 . ? -37.763 -5.008 -7.181 1.00 56.16 ? 332 NAG A C2 1 HETATM 3986 C C3 . NAG E 3 . ? -37.582 -6.480 -7.565 1.00 56.71 ? 332 NAG A C3 1 HETATM 3987 C C4 . NAG E 3 . ? -37.224 -6.703 -9.038 1.00 57.26 ? 332 NAG A C4 1 HETATM 3988 C C5 . NAG E 3 . ? -36.254 -5.651 -9.581 1.00 56.08 ? 332 NAG A C5 1 HETATM 3989 C C6 . NAG E 3 . ? -36.166 -5.746 -11.100 1.00 56.65 ? 332 NAG A C6 1 HETATM 3990 C C7 . NAG E 3 . ? -38.674 -4.218 -5.068 1.00 58.57 ? 332 NAG A C7 1 HETATM 3991 C C8 . NAG E 3 . ? -38.241 -3.559 -3.790 1.00 59.28 ? 332 NAG A C8 1 HETATM 3992 N N2 . NAG E 3 . ? -37.733 -4.889 -5.733 1.00 57.54 ? 332 NAG A N2 1 HETATM 3993 O O3 . NAG E 3 . ? -38.789 -7.157 -7.295 1.00 57.58 ? 332 NAG A O3 1 HETATM 3994 O O4 . NAG E 3 . ? -36.656 -7.993 -9.188 1.00 58.54 ? 332 NAG A O4 1 HETATM 3995 O O5 . NAG E 3 . ? -36.659 -4.335 -9.221 1.00 54.43 ? 332 NAG A O5 1 HETATM 3996 O O6 . NAG E 3 . ? -35.345 -4.708 -11.583 1.00 56.98 ? 332 NAG A O6 1 HETATM 3997 O O7 . NAG E 3 . ? -39.840 -4.126 -5.463 1.00 59.06 ? 332 NAG A O7 1 HETATM 3998 C C1 . EDO F 4 . ? -9.865 15.052 60.401 1.00 32.24 ? 1 EDO A C1 1 HETATM 3999 O O1 . EDO F 4 . ? -8.955 15.959 61.024 1.00 32.83 ? 1 EDO A O1 1 HETATM 4000 C C2 . EDO F 4 . ? -9.222 13.686 60.179 1.00 29.21 ? 1 EDO A C2 1 HETATM 4001 O O2 . EDO F 4 . ? -8.103 13.811 59.293 1.00 28.61 ? 1 EDO A O2 1 HETATM 4002 C C1 . NAG G 3 . ? -9.962 16.654 -33.875 1.00 59.99 ? 175 NAG B C1 1 HETATM 4003 C C2 . NAG G 3 . ? -8.578 17.254 -33.537 1.00 64.11 ? 175 NAG B C2 1 HETATM 4004 C C3 . NAG G 3 . ? -7.542 17.177 -34.672 1.00 65.92 ? 175 NAG B C3 1 HETATM 4005 C C4 . NAG G 3 . ? -7.625 15.906 -35.524 1.00 67.14 ? 175 NAG B C4 1 HETATM 4006 C C5 . NAG G 3 . ? -9.099 15.609 -35.843 1.00 65.21 ? 175 NAG B C5 1 HETATM 4007 C C6 . NAG G 3 . ? -9.288 14.366 -36.709 1.00 64.91 ? 175 NAG B C6 1 HETATM 4008 C C7 . NAG G 3 . ? -8.841 19.084 -31.906 1.00 64.61 ? 175 NAG B C7 1 HETATM 4009 C C8 . NAG G 3 . ? -9.155 20.542 -31.736 1.00 65.06 ? 175 NAG B C8 1 HETATM 4010 N N2 . NAG G 3 . ? -8.704 18.656 -33.161 1.00 64.43 ? 175 NAG B N2 1 HETATM 4011 O O3 . NAG G 3 . ? -6.239 17.295 -34.134 1.00 66.75 ? 175 NAG B O3 1 HETATM 4012 O O4 . NAG G 3 . ? -6.819 16.043 -36.694 1.00 70.93 ? 175 NAG B O4 1 HETATM 4013 O O5 . NAG G 3 . ? -9.816 15.455 -34.625 1.00 62.32 ? 175 NAG B O5 1 HETATM 4014 O O6 . NAG G 3 . ? -8.593 13.276 -36.141 1.00 64.91 ? 175 NAG B O6 1 HETATM 4015 O O7 . NAG G 3 . ? -8.727 18.357 -30.920 1.00 64.96 ? 175 NAG B O7 1 HETATM 4016 C C1 . NAG H 3 . ? -5.719 15.093 -36.687 1.00 74.76 ? 176 NAG B C1 1 HETATM 4017 C C2 . NAG H 3 . ? -4.932 15.092 -38.009 1.00 76.56 ? 176 NAG B C2 1 HETATM 4018 C C3 . NAG H 3 . ? -3.483 14.603 -37.815 1.00 77.26 ? 176 NAG B C3 1 HETATM 4019 C C4 . NAG H 3 . ? -3.312 13.642 -36.628 1.00 77.28 ? 176 NAG B C4 1 HETATM 4020 C C5 . NAG H 3 . ? -3.997 14.144 -35.348 1.00 77.01 ? 176 NAG B C5 1 HETATM 4021 C C6 . NAG H 3 . ? -2.964 14.485 -34.274 1.00 77.21 ? 176 NAG B C6 1 HETATM 4022 C C7 . NAG H 3 . ? -5.162 14.177 -40.286 1.00 78.62 ? 176 NAG B C7 1 HETATM 4023 C C8 . NAG H 3 . ? -4.706 12.820 -40.747 1.00 78.54 ? 176 NAG B C8 1 HETATM 4024 N N2 . NAG H 3 . ? -5.597 14.279 -39.023 1.00 77.73 ? 176 NAG B N2 1 HETATM 4025 O O3 . NAG H 3 . ? -2.602 15.705 -37.684 1.00 77.57 ? 176 NAG B O3 1 HETATM 4026 O O4 . NAG H 3 . ? -3.818 12.364 -36.964 1.00 77.62 ? 176 NAG B O4 1 HETATM 4027 O O5 . NAG H 3 . ? -4.819 15.274 -35.603 1.00 76.17 ? 176 NAG B O5 1 HETATM 4028 O O6 . NAG H 3 . ? -2.214 15.620 -34.657 1.00 77.05 ? 176 NAG B O6 1 HETATM 4029 O O7 . NAG H 3 . ? -5.123 15.131 -41.066 1.00 79.43 ? 176 NAG B O7 1 HETATM 4030 C C1 . PEG I 5 . ? -31.005 1.391 -32.306 1.00 43.17 ? 177 PEG B C1 1 HETATM 4031 O O1 . PEG I 5 . ? -31.697 0.174 -32.628 1.00 46.23 ? 177 PEG B O1 1 HETATM 4032 C C2 . PEG I 5 . ? -29.621 1.381 -32.935 1.00 42.37 ? 177 PEG B C2 1 HETATM 4033 O O2 . PEG I 5 . ? -28.694 2.054 -32.083 1.00 43.69 ? 177 PEG B O2 1 HETATM 4034 C C3 . PEG I 5 . ? -27.407 2.231 -32.674 1.00 42.38 ? 177 PEG B C3 1 HETATM 4035 C C4 . PEG I 5 . ? -26.446 1.156 -32.192 1.00 43.69 ? 177 PEG B C4 1 HETATM 4036 O O4 . PEG I 5 . ? -25.111 1.487 -32.585 1.00 45.60 ? 177 PEG B O4 1 HETATM 4037 O O . HOH J 6 . ? -29.901 19.282 35.758 1.00 19.13 ? 2 HOH A O 1 HETATM 4038 O O . HOH J 6 . ? -9.268 3.009 34.103 1.00 21.55 ? 3 HOH A O 1 HETATM 4039 O O . HOH J 6 . ? -21.293 -1.917 36.227 1.00 21.05 ? 5 HOH A O 1 HETATM 4040 O O . HOH J 6 . ? -11.550 10.977 57.506 1.00 20.53 ? 6 HOH A O 1 HETATM 4041 O O . HOH J 6 . ? -28.660 14.445 40.027 1.00 20.58 ? 7 HOH A O 1 HETATM 4042 O O . HOH J 6 . ? -23.824 -6.417 38.431 1.00 23.78 ? 8 HOH A O 1 HETATM 4043 O O . HOH J 6 . ? -22.421 17.720 36.814 1.00 34.85 ? 124 HOH A O 1 HETATM 4044 O O . HOH J 6 . ? -32.222 10.361 46.569 1.00 38.16 ? 333 HOH A O 1 HETATM 4045 O O . HOH J 6 . ? -13.346 -0.549 46.915 1.00 20.75 ? 334 HOH A O 1 HETATM 4046 O O . HOH J 6 . ? -2.434 5.906 31.589 1.00 38.48 ? 335 HOH A O 1 HETATM 4047 O O . HOH J 6 . ? -23.054 9.315 22.989 1.00 38.72 ? 336 HOH A O 1 HETATM 4048 O O . HOH J 6 . ? -3.438 -4.554 22.721 1.00 46.71 ? 337 HOH A O 1 HETATM 4049 O O . HOH J 6 . ? -19.426 -11.659 42.251 1.00 56.25 ? 338 HOH A O 1 HETATM 4050 O O . HOH J 6 . ? -2.620 9.883 33.308 1.00 42.78 ? 339 HOH A O 1 HETATM 4051 O O . HOH J 6 . ? -20.242 9.731 63.085 1.00 19.52 ? 340 HOH A O 1 HETATM 4052 O O . HOH J 6 . ? -25.026 -9.198 35.591 1.00 45.35 ? 341 HOH A O 1 HETATM 4053 O O . HOH J 6 . ? -33.103 10.167 43.517 1.00 42.14 ? 342 HOH A O 1 HETATM 4054 O O . HOH J 6 . ? -29.971 -1.754 39.697 1.00 53.73 ? 343 HOH A O 1 HETATM 4055 O O . HOH J 6 . ? -10.407 4.905 42.400 1.00 18.46 ? 344 HOH A O 1 HETATM 4056 O O . HOH J 6 . ? -21.783 -8.850 48.569 1.00 47.89 ? 345 HOH A O 1 HETATM 4057 O O . HOH J 6 . ? -14.976 3.149 59.608 1.00 19.18 ? 346 HOH A O 1 HETATM 4058 O O . HOH J 6 . ? -25.067 3.734 38.992 1.00 20.21 ? 347 HOH A O 1 HETATM 4059 O O . HOH J 6 . ? -5.514 23.920 44.306 1.00 24.62 ? 348 HOH A O 1 HETATM 4060 O O . HOH J 6 . ? -30.702 2.407 13.964 1.00 46.40 ? 349 HOH A O 1 HETATM 4061 O O . HOH J 6 . ? -9.323 6.583 66.567 1.00 48.32 ? 350 HOH A O 1 HETATM 4062 O O . HOH J 6 . ? -20.102 -1.954 -20.175 1.00 37.76 ? 351 HOH A O 1 HETATM 4063 O O . HOH J 6 . ? -19.217 -11.103 28.505 1.00 46.04 ? 352 HOH A O 1 HETATM 4064 O O . HOH J 6 . ? -18.348 -2.842 33.101 1.00 23.46 ? 353 HOH A O 1 HETATM 4065 O O . HOH J 6 . ? -14.332 -6.584 34.979 1.00 51.81 ? 354 HOH A O 1 HETATM 4066 O O . HOH J 6 . ? -32.328 -1.460 47.062 1.00 41.25 ? 355 HOH A O 1 HETATM 4067 O O . HOH J 6 . ? -23.972 18.185 44.614 1.00 36.23 ? 356 HOH A O 1 HETATM 4068 O O . HOH J 6 . ? -13.298 10.476 22.739 1.00 52.34 ? 357 HOH A O 1 HETATM 4069 O O . HOH J 6 . ? -22.243 9.467 29.479 1.00 38.87 ? 358 HOH A O 1 HETATM 4070 O O . HOH J 6 . ? -13.942 -7.899 49.556 1.00 41.80 ? 359 HOH A O 1 HETATM 4071 O O . HOH J 6 . ? -31.815 17.705 58.710 1.00 45.69 ? 360 HOH A O 1 HETATM 4072 O O . HOH J 6 . ? -29.659 -1.462 7.530 1.00 43.76 ? 361 HOH A O 1 HETATM 4073 O O . HOH J 6 . ? -12.474 16.748 66.030 1.00 39.26 ? 362 HOH A O 1 HETATM 4074 O O . HOH J 6 . ? -30.204 21.966 62.653 1.00 50.88 ? 363 HOH A O 1 HETATM 4075 O O . HOH J 6 . ? -29.688 1.359 48.877 1.00 20.32 ? 364 HOH A O 1 HETATM 4076 O O . HOH J 6 . ? -3.120 2.956 26.692 1.00 42.01 ? 365 HOH A O 1 HETATM 4077 O O . HOH J 6 . ? -17.772 -10.311 21.468 1.00 46.91 ? 366 HOH A O 1 HETATM 4078 O O . HOH J 6 . ? -25.596 13.706 53.139 1.00 21.17 ? 367 HOH A O 1 HETATM 4079 O O . HOH J 6 . ? -22.266 -4.899 47.247 1.00 22.87 ? 368 HOH A O 1 HETATM 4080 O O . HOH J 6 . ? -24.979 15.968 46.819 1.00 23.16 ? 369 HOH A O 1 HETATM 4081 O O . HOH J 6 . ? -17.685 3.030 69.011 1.00 37.97 ? 370 HOH A O 1 HETATM 4082 O O . HOH J 6 . ? -8.414 7.530 38.751 1.00 19.56 ? 371 HOH A O 1 HETATM 4083 O O . HOH J 6 . ? -11.397 4.160 45.103 1.00 23.08 ? 372 HOH A O 1 HETATM 4084 O O . HOH J 6 . ? -2.157 1.109 35.508 1.00 47.65 ? 373 HOH A O 1 HETATM 4085 O O . HOH J 6 . ? -8.404 2.686 31.464 1.00 22.16 ? 374 HOH A O 1 HETATM 4086 O O . HOH J 6 . ? -13.196 -6.486 58.811 1.00 42.74 ? 375 HOH A O 1 HETATM 4087 O O . HOH J 6 . ? -23.026 7.316 26.458 1.00 51.13 ? 376 HOH A O 1 HETATM 4088 O O . HOH J 6 . ? -10.940 -1.182 34.071 1.00 23.01 ? 377 HOH A O 1 HETATM 4089 O O . HOH J 6 . ? -4.307 21.280 52.278 1.00 27.02 ? 378 HOH A O 1 HETATM 4090 O O . HOH J 6 . ? -1.086 3.893 32.649 1.00 44.78 ? 379 HOH A O 1 HETATM 4091 O O . HOH J 6 . ? -12.990 1.825 44.857 1.00 22.29 ? 380 HOH A O 1 HETATM 4092 O O . HOH J 6 . ? -16.743 -10.810 25.332 1.00 48.85 ? 381 HOH A O 1 HETATM 4093 O O . HOH J 6 . ? -16.757 -7.041 23.979 1.00 23.55 ? 382 HOH A O 1 HETATM 4094 O O . HOH J 6 . ? -29.698 18.211 70.340 1.00 48.03 ? 383 HOH A O 1 HETATM 4095 O O . HOH J 6 . ? -27.522 23.575 50.484 1.00 33.91 ? 384 HOH A O 1 HETATM 4096 O O . HOH J 6 . ? -35.026 4.370 52.849 1.00 22.21 ? 385 HOH A O 1 HETATM 4097 O O . HOH J 6 . ? -21.793 11.165 18.748 1.00 54.53 ? 386 HOH A O 1 HETATM 4098 O O . HOH J 6 . ? -29.168 1.750 34.794 1.00 48.42 ? 387 HOH A O 1 HETATM 4099 O O . HOH J 6 . ? -11.728 29.574 51.261 1.00 45.98 ? 388 HOH A O 1 HETATM 4100 O O . HOH J 6 . ? -30.162 19.554 43.648 1.00 52.51 ? 389 HOH A O 1 HETATM 4101 O O . HOH J 6 . ? -31.207 7.765 52.519 1.00 23.36 ? 390 HOH A O 1 HETATM 4102 O O . HOH J 6 . ? -24.836 -5.303 6.832 1.00 61.18 ? 391 HOH A O 1 HETATM 4103 O O . HOH J 6 . ? -26.605 1.666 40.583 1.00 38.85 ? 392 HOH A O 1 HETATM 4104 O O . HOH J 6 . ? -18.988 -8.883 34.103 1.00 47.26 ? 393 HOH A O 1 HETATM 4105 O O . HOH J 6 . ? -20.175 -4.375 31.745 1.00 25.01 ? 394 HOH A O 1 HETATM 4106 O O . HOH J 6 . ? -22.251 -8.407 63.467 1.00 42.94 ? 395 HOH A O 1 HETATM 4107 O O . HOH J 6 . ? -8.258 2.546 14.954 1.00 49.39 ? 396 HOH A O 1 HETATM 4108 O O . HOH J 6 . ? -17.967 -2.117 -18.495 1.00 48.56 ? 397 HOH A O 1 HETATM 4109 O O . HOH J 6 . ? -19.371 -0.114 65.390 1.00 40.33 ? 398 HOH A O 1 HETATM 4110 O O . HOH J 6 . ? -24.552 11.392 15.442 1.00 51.57 ? 399 HOH A O 1 HETATM 4111 O O . HOH J 6 . ? -32.497 3.643 50.498 1.00 22.98 ? 400 HOH A O 1 HETATM 4112 O O . HOH J 6 . ? -28.031 2.508 -19.562 1.00 26.58 ? 401 HOH A O 1 HETATM 4113 O O . HOH J 6 . ? -23.741 28.954 51.407 1.00 21.99 ? 402 HOH A O 1 HETATM 4114 O O . HOH J 6 . ? -20.717 -4.951 -16.809 1.00 58.72 ? 403 HOH A O 1 HETATM 4115 O O . HOH J 6 . ? -3.936 10.478 26.852 1.00 48.54 ? 404 HOH A O 1 HETATM 4116 O O . HOH J 6 . ? -17.272 -3.946 11.050 1.00 48.89 ? 405 HOH A O 1 HETATM 4117 O O . HOH J 6 . ? -25.017 6.925 30.296 1.00 47.16 ? 406 HOH A O 1 HETATM 4118 O O . HOH J 6 . ? -8.583 6.534 63.696 1.00 48.05 ? 407 HOH A O 1 HETATM 4119 O O . HOH J 6 . ? -30.914 19.783 57.426 1.00 47.55 ? 408 HOH A O 1 HETATM 4120 O O . HOH J 6 . ? -19.811 -4.960 50.153 1.00 25.29 ? 409 HOH A O 1 HETATM 4121 O O . HOH J 6 . ? -2.401 26.062 52.491 1.00 39.60 ? 410 HOH A O 1 HETATM 4122 O O . HOH J 6 . ? -4.784 4.291 30.794 1.00 25.38 ? 411 HOH A O 1 HETATM 4123 O O . HOH J 6 . ? -6.943 4.843 15.816 1.00 59.65 ? 412 HOH A O 1 HETATM 4124 O O . HOH J 6 . ? -42.613 6.152 -10.878 1.00 51.53 ? 413 HOH A O 1 HETATM 4125 O O . HOH J 6 . ? -15.816 17.793 27.471 1.00 46.52 ? 415 HOH A O 1 HETATM 4126 O O . HOH J 6 . ? -15.635 25.097 46.478 1.00 24.01 ? 416 HOH A O 1 HETATM 4127 O O . HOH J 6 . ? -11.406 -4.428 31.298 1.00 26.73 ? 417 HOH A O 1 HETATM 4128 O O . HOH J 6 . ? -7.084 17.609 56.815 1.00 44.29 ? 418 HOH A O 1 HETATM 4129 O O . HOH J 6 . ? -1.662 17.229 43.442 1.00 46.22 ? 419 HOH A O 1 HETATM 4130 O O . HOH J 6 . ? -29.229 -2.782 -4.837 1.00 50.03 ? 420 HOH A O 1 HETATM 4131 O O . HOH J 6 . ? -28.155 5.555 -30.861 1.00 29.19 ? 421 HOH A O 1 HETATM 4132 O O . HOH J 6 . ? -5.881 21.357 54.585 1.00 25.03 ? 422 HOH A O 1 HETATM 4133 O O . HOH J 6 . ? -0.252 23.616 46.313 1.00 40.25 ? 423 HOH A O 1 HETATM 4134 O O . HOH J 6 . ? -24.824 4.971 76.665 1.00 50.34 ? 424 HOH A O 1 HETATM 4135 O O . HOH J 6 . ? -9.912 16.586 63.500 1.00 40.08 ? 425 HOH A O 1 HETATM 4136 O O . HOH J 6 . ? -28.358 -0.808 48.606 1.00 29.87 ? 426 HOH A O 1 HETATM 4137 O O . HOH J 6 . ? -0.627 15.558 41.163 1.00 44.53 ? 427 HOH A O 1 HETATM 4138 O O . HOH J 6 . ? -29.311 6.889 37.761 1.00 43.86 ? 428 HOH A O 1 HETATM 4139 O O . HOH J 6 . ? -10.978 -5.311 33.985 1.00 42.90 ? 429 HOH A O 1 HETATM 4140 O O . HOH J 6 . ? -19.807 2.590 0.052 1.00 41.91 ? 430 HOH A O 1 HETATM 4141 O O . HOH J 6 . ? -25.197 2.563 43.225 1.00 27.76 ? 431 HOH A O 1 HETATM 4142 O O . HOH J 6 . ? -1.961 2.742 37.573 1.00 45.60 ? 432 HOH A O 1 HETATM 4143 O O . HOH J 6 . ? -29.643 -6.219 34.524 1.00 39.24 ? 433 HOH A O 1 HETATM 4144 O O . HOH J 6 . ? -9.233 -3.258 37.343 1.00 47.54 ? 434 HOH A O 1 HETATM 4145 O O . HOH J 6 . ? -29.616 -8.008 59.633 1.00 40.76 ? 435 HOH A O 1 HETATM 4146 O O . HOH J 6 . ? -3.146 7.028 33.918 1.00 27.91 ? 436 HOH A O 1 HETATM 4147 O O . HOH J 6 . ? -24.858 3.757 26.654 1.00 25.00 ? 437 HOH A O 1 HETATM 4148 O O . HOH J 6 . ? -23.090 -1.129 62.913 1.00 42.25 ? 438 HOH A O 1 HETATM 4149 O O . HOH J 6 . ? -30.238 7.971 74.890 1.00 55.14 ? 439 HOH A O 1 HETATM 4150 O O . HOH J 6 . ? -8.617 9.333 27.982 1.00 33.97 ? 440 HOH A O 1 HETATM 4151 O O . HOH J 6 . ? -34.402 -3.385 61.631 1.00 36.52 ? 441 HOH A O 1 HETATM 4152 O O . HOH J 6 . ? -11.458 12.927 66.589 1.00 29.95 ? 442 HOH A O 1 HETATM 4153 O O . HOH J 6 . ? -4.628 -0.642 36.124 1.00 37.41 ? 443 HOH A O 1 HETATM 4154 O O . HOH J 6 . ? -3.019 7.461 49.764 1.00 43.18 ? 444 HOH A O 1 HETATM 4155 O O . HOH J 6 . ? -9.448 28.247 51.616 1.00 28.27 ? 445 HOH A O 1 HETATM 4156 O O . HOH J 6 . ? -37.005 0.861 -12.933 1.00 53.76 ? 446 HOH A O 1 HETATM 4157 O O . HOH J 6 . ? -19.755 16.893 32.178 1.00 28.03 ? 447 HOH A O 1 HETATM 4158 O O . HOH J 6 . ? -29.844 -3.748 18.157 1.00 52.52 ? 448 HOH A O 1 HETATM 4159 O O . HOH J 6 . ? -2.682 12.316 53.914 1.00 43.35 ? 449 HOH A O 1 HETATM 4160 O O . HOH J 6 . ? -26.032 -0.511 41.921 1.00 42.31 ? 450 HOH A O 1 HETATM 4161 O O . HOH J 6 . ? -25.571 20.639 69.569 1.00 45.39 ? 451 HOH A O 1 HETATM 4162 O O . HOH J 6 . ? -20.929 -8.636 52.321 1.00 51.09 ? 452 HOH A O 1 HETATM 4163 O O . HOH J 6 . ? -27.085 -5.691 45.142 1.00 45.43 ? 453 HOH A O 1 HETATM 4164 O O . HOH J 6 . ? -17.795 -6.482 42.107 1.00 25.84 ? 454 HOH A O 1 HETATM 4165 O O . HOH J 6 . ? -17.273 9.312 9.013 1.00 52.99 ? 455 HOH A O 1 HETATM 4166 O O . HOH J 6 . ? -33.938 -3.346 47.607 1.00 51.55 ? 456 HOH A O 1 HETATM 4167 O O . HOH J 6 . ? -17.997 23.556 47.382 1.00 26.11 ? 457 HOH A O 1 HETATM 4168 O O . HOH J 6 . ? -35.862 7.204 18.460 1.00 52.45 ? 458 HOH A O 1 HETATM 4169 O O . HOH J 6 . ? -20.362 21.007 43.282 1.00 29.99 ? 459 HOH A O 1 HETATM 4170 O O . HOH J 6 . ? -29.975 2.508 31.038 1.00 56.16 ? 460 HOH A O 1 HETATM 4171 O O . HOH J 6 . ? -14.414 -11.829 26.267 1.00 41.99 ? 462 HOH A O 1 HETATM 4172 O O . HOH J 6 . ? -13.406 9.460 50.167 1.00 25.17 ? 463 HOH A O 1 HETATM 4173 O O . HOH J 6 . ? -27.426 11.218 -6.761 1.00 28.26 ? 464 HOH A O 1 HETATM 4174 O O . HOH J 6 . ? -27.105 -5.401 34.889 1.00 25.41 ? 465 HOH A O 1 HETATM 4175 O O . HOH J 6 . ? -1.985 3.621 20.609 1.00 45.60 ? 466 HOH A O 1 HETATM 4176 O O . HOH J 6 . ? -14.309 2.923 73.190 1.00 45.38 ? 467 HOH A O 1 HETATM 4177 O O . HOH J 6 . ? -9.010 2.825 62.030 1.00 48.77 ? 468 HOH A O 1 HETATM 4178 O O . HOH J 6 . ? -11.651 -11.054 51.321 1.00 25.41 ? 469 HOH A O 1 HETATM 4179 O O . HOH J 6 . ? -37.214 2.936 65.254 1.00 42.64 ? 470 HOH A O 1 HETATM 4180 O O . HOH J 6 . ? -28.562 20.924 65.502 1.00 49.33 ? 471 HOH A O 1 HETATM 4181 O O . HOH J 6 . ? -18.038 -10.837 50.182 1.00 41.63 ? 472 HOH A O 1 HETATM 4182 O O . HOH J 6 . ? -11.606 -11.045 21.794 1.00 47.21 ? 473 HOH A O 1 HETATM 4183 O O . HOH J 6 . ? -17.403 24.011 42.910 1.00 48.23 ? 474 HOH A O 1 HETATM 4184 O O . HOH J 6 . ? -36.338 -2.321 60.157 1.00 35.65 ? 475 HOH A O 1 HETATM 4185 O O . HOH J 6 . ? -16.137 3.483 64.088 1.00 25.52 ? 476 HOH A O 1 HETATM 4186 O O . HOH J 6 . ? -22.613 8.652 15.936 1.00 30.87 ? 477 HOH A O 1 HETATM 4187 O O . HOH J 6 . ? -10.503 28.914 42.872 1.00 41.81 ? 478 HOH A O 1 HETATM 4188 O O . HOH J 6 . ? -31.282 11.193 49.443 1.00 25.96 ? 479 HOH A O 1 HETATM 4189 O O . HOH J 6 . ? -33.116 -2.401 70.259 1.00 54.52 ? 480 HOH A O 1 HETATM 4190 O O . HOH J 6 . ? -37.412 -6.161 59.654 1.00 40.53 ? 481 HOH A O 1 HETATM 4191 O O . HOH J 6 . ? -10.397 -9.285 19.615 1.00 52.96 ? 482 HOH A O 1 HETATM 4192 O O . HOH J 6 . ? -15.454 -15.738 60.029 1.00 52.86 ? 483 HOH A O 1 HETATM 4193 O O . HOH J 6 . ? -21.602 -5.147 23.496 1.00 44.49 ? 484 HOH A O 1 HETATM 4194 O O . HOH J 6 . ? -23.632 -3.474 25.150 1.00 44.52 ? 485 HOH A O 1 HETATM 4195 O O . HOH J 6 . ? -29.754 16.732 41.064 1.00 27.02 ? 487 HOH A O 1 HETATM 4196 O O . HOH J 6 . ? -34.051 15.418 59.293 1.00 55.18 ? 488 HOH A O 1 HETATM 4197 O O . HOH J 6 . ? -6.059 4.849 62.112 1.00 43.46 ? 489 HOH A O 1 HETATM 4198 O O . HOH J 6 . ? -4.401 -4.516 25.080 1.00 54.60 ? 490 HOH A O 1 HETATM 4199 O O . HOH J 6 . ? -28.853 4.908 30.792 1.00 47.90 ? 491 HOH A O 1 HETATM 4200 O O . HOH J 6 . ? -29.519 -5.900 31.256 1.00 55.39 ? 492 HOH A O 1 HETATM 4201 O O . HOH J 6 . ? -15.312 2.287 4.713 1.00 43.43 ? 493 HOH A O 1 HETATM 4202 O O . HOH J 6 . ? -11.017 4.654 55.169 1.00 24.74 ? 494 HOH A O 1 HETATM 4203 O O . HOH J 6 . ? -17.840 3.555 -16.836 1.00 47.96 ? 495 HOH A O 1 HETATM 4204 O O . HOH J 6 . ? -25.580 23.735 46.522 1.00 55.45 ? 496 HOH A O 1 HETATM 4205 O O . HOH J 6 . ? -17.651 0.323 -14.308 1.00 50.69 ? 497 HOH A O 1 HETATM 4206 O O . HOH J 6 . ? -11.734 19.640 66.650 1.00 43.26 ? 498 HOH A O 1 HETATM 4207 O O . HOH J 6 . ? -32.191 5.344 47.493 1.00 34.98 ? 499 HOH A O 1 HETATM 4208 O O . HOH J 6 . ? -30.033 7.506 45.642 1.00 29.02 ? 500 HOH A O 1 HETATM 4209 O O . HOH J 6 . ? -11.831 4.429 11.800 1.00 57.99 ? 501 HOH A O 1 HETATM 4210 O O . HOH J 6 . ? -5.262 5.894 56.555 1.00 30.37 ? 502 HOH A O 1 HETATM 4211 O O . HOH J 6 . ? -26.121 -10.433 30.990 1.00 64.03 ? 503 HOH A O 1 HETATM 4212 O O . HOH J 6 . ? -11.505 25.611 40.969 1.00 30.91 ? 504 HOH A O 1 HETATM 4213 O O . HOH J 6 . ? -17.758 11.756 24.353 1.00 44.10 ? 505 HOH A O 1 HETATM 4214 O O . HOH J 6 . ? -29.997 -1.427 19.632 1.00 52.93 ? 506 HOH A O 1 HETATM 4215 O O . HOH J 6 . ? -9.493 -6.258 30.471 1.00 37.21 ? 507 HOH A O 1 HETATM 4216 O O . HOH J 6 . ? -9.216 2.295 53.220 1.00 26.27 ? 508 HOH A O 1 HETATM 4217 O O . HOH J 6 . ? -0.753 4.392 35.855 1.00 37.54 ? 509 HOH A O 1 HETATM 4218 O O . HOH J 6 . ? -13.079 32.009 51.091 1.00 39.15 ? 510 HOH A O 1 HETATM 4219 O O . HOH J 6 . ? -30.675 14.633 55.344 1.00 40.07 ? 511 HOH A O 1 HETATM 4220 O O . HOH J 6 . ? -5.969 7.419 42.408 1.00 24.06 ? 512 HOH A O 1 HETATM 4221 O O . HOH J 6 . ? -15.683 23.200 63.790 1.00 43.40 ? 513 HOH A O 1 HETATM 4222 O O . HOH J 6 . ? -27.281 1.923 2.374 1.00 30.76 ? 514 HOH A O 1 HETATM 4223 O O . HOH J 6 . ? -12.378 22.570 61.430 1.00 46.51 ? 515 HOH A O 1 HETATM 4224 O O . HOH J 6 . ? -26.086 -5.763 16.783 1.00 48.52 ? 516 HOH A O 1 HETATM 4225 O O . HOH J 6 . ? -12.463 -5.971 14.779 1.00 48.90 ? 517 HOH A O 1 HETATM 4226 O O . HOH J 6 . ? -13.590 29.483 43.637 1.00 47.16 ? 518 HOH A O 1 HETATM 4227 O O . HOH J 6 . ? -14.835 -1.403 65.901 1.00 48.94 ? 519 HOH A O 1 HETATM 4228 O O . HOH J 6 . ? -38.633 -3.519 59.549 1.00 50.74 ? 520 HOH A O 1 HETATM 4229 O O . HOH J 6 . ? -24.732 13.583 74.855 1.00 47.79 ? 521 HOH A O 1 HETATM 4230 O O . HOH J 6 . ? -36.886 -6.322 53.431 1.00 49.56 ? 522 HOH A O 1 HETATM 4231 O O . HOH J 6 . ? -8.253 26.171 55.573 1.00 29.39 ? 523 HOH A O 1 HETATM 4232 O O . HOH J 6 . ? -3.646 6.290 38.287 1.00 25.28 ? 525 HOH A O 1 HETATM 4233 O O . HOH J 6 . ? -14.981 22.193 60.716 1.00 35.52 ? 526 HOH A O 1 HETATM 4234 O O . HOH J 6 . ? -7.589 18.265 35.091 1.00 43.66 ? 527 HOH A O 1 HETATM 4235 O O . HOH J 6 . ? -12.715 9.480 25.205 1.00 29.08 ? 529 HOH A O 1 HETATM 4236 O O . HOH J 6 . ? -2.059 11.915 37.220 1.00 51.33 ? 530 HOH A O 1 HETATM 4237 O O . HOH J 6 . ? -25.989 -1.891 25.973 1.00 43.08 ? 531 HOH A O 1 HETATM 4238 O O . HOH J 6 . ? -19.565 22.935 58.357 1.00 32.15 ? 532 HOH A O 1 HETATM 4239 O O . HOH J 6 . ? -14.926 -1.220 59.056 1.00 34.46 ? 533 HOH A O 1 HETATM 4240 O O . HOH J 6 . ? -13.495 -3.398 9.573 1.00 55.79 ? 534 HOH A O 1 HETATM 4241 O O . HOH J 6 . ? -1.110 19.365 40.017 1.00 47.70 ? 535 HOH A O 1 HETATM 4242 O O . HOH J 6 . ? -31.420 0.350 16.366 1.00 51.19 ? 536 HOH A O 1 HETATM 4243 O O . HOH J 6 . ? -32.741 17.943 44.544 1.00 57.42 ? 537 HOH A O 1 HETATM 4244 O O . HOH J 6 . ? -29.230 -0.640 60.175 1.00 26.31 ? 538 HOH A O 1 HETATM 4245 O O . HOH J 6 . ? -13.153 3.234 57.408 1.00 30.30 ? 539 HOH A O 1 HETATM 4246 O O . HOH J 6 . ? -1.008 10.427 54.593 1.00 44.99 ? 540 HOH A O 1 HETATM 4247 O O . HOH J 6 . ? -32.417 10.088 53.455 1.00 27.90 ? 541 HOH A O 1 HETATM 4248 O O . HOH J 6 . ? -14.431 24.765 65.593 1.00 54.89 ? 542 HOH A O 1 HETATM 4249 O O . HOH J 6 . ? -33.828 1.277 -3.452 1.00 49.63 ? 543 HOH A O 1 HETATM 4250 O O . HOH J 6 . ? -30.915 13.912 44.275 1.00 29.47 ? 544 HOH A O 1 HETATM 4251 O O . HOH J 6 . ? -31.150 13.265 39.907 1.00 27.12 ? 545 HOH A O 1 HETATM 4252 O O . HOH J 6 . ? -23.792 -5.131 61.103 1.00 30.61 ? 546 HOH A O 1 HETATM 4253 O O . HOH J 6 . ? -7.356 4.186 53.722 1.00 27.91 ? 547 HOH A O 1 HETATM 4254 O O . HOH J 6 . ? -17.416 24.050 39.154 1.00 41.02 ? 548 HOH A O 1 HETATM 4255 O O . HOH J 6 . ? -12.245 -10.145 26.920 1.00 45.27 ? 549 HOH A O 1 HETATM 4256 O O . HOH J 6 . ? -26.185 5.258 43.963 1.00 51.75 ? 550 HOH A O 1 HETATM 4257 O O . HOH J 6 . ? -8.752 -6.842 27.647 1.00 56.18 ? 551 HOH A O 1 HETATM 4258 O O . HOH J 6 . ? -20.262 -8.145 14.353 1.00 51.64 ? 552 HOH A O 1 HETATM 4259 O O . HOH J 6 . ? -9.412 27.134 57.908 1.00 34.23 ? 553 HOH A O 1 HETATM 4260 O O . HOH J 6 . ? -7.292 -3.563 33.036 1.00 39.61 ? 554 HOH A O 1 HETATM 4261 O O . HOH J 6 . ? -12.359 -0.778 54.831 1.00 44.09 ? 555 HOH A O 1 HETATM 4262 O O . HOH J 6 . ? -6.373 15.914 58.819 1.00 32.16 ? 557 HOH A O 1 HETATM 4263 O O . HOH J 6 . ? -32.359 -7.533 53.863 1.00 32.05 ? 559 HOH A O 1 HETATM 4264 O O . HOH J 6 . ? -8.161 6.139 41.235 1.00 22.55 ? 560 HOH A O 1 HETATM 4265 O O . HOH J 6 . ? -31.895 -1.246 9.237 1.00 55.83 ? 561 HOH A O 1 HETATM 4266 O O . HOH J 6 . ? -18.586 -9.129 26.337 1.00 31.30 ? 562 HOH A O 1 HETATM 4267 O O . HOH J 6 . ? -15.552 -11.782 51.591 1.00 26.45 ? 563 HOH A O 1 HETATM 4268 O O . HOH J 6 . ? -26.266 1.483 25.937 1.00 45.17 ? 564 HOH A O 1 HETATM 4269 O O . HOH J 6 . ? -9.044 3.386 50.179 1.00 39.29 ? 565 HOH A O 1 HETATM 4270 O O . HOH J 6 . ? -33.856 5.351 3.271 1.00 51.97 ? 566 HOH A O 1 HETATM 4271 O O . HOH J 6 . ? -24.634 23.878 57.868 1.00 45.46 ? 567 HOH A O 1 HETATM 4272 O O . HOH J 6 . ? -4.106 3.586 18.330 1.00 52.49 ? 568 HOH A O 1 HETATM 4273 O O . HOH J 6 . ? -23.071 -8.123 26.122 1.00 46.11 ? 569 HOH A O 1 HETATM 4274 O O . HOH J 6 . ? -14.110 -4.305 37.119 1.00 49.97 ? 570 HOH A O 1 HETATM 4275 O O . HOH J 6 . ? -4.553 5.484 46.703 1.00 49.68 ? 571 HOH A O 1 HETATM 4276 O O . HOH J 6 . ? -15.236 -8.466 39.263 1.00 51.02 ? 572 HOH A O 1 HETATM 4277 O O . HOH J 6 . ? -3.077 0.944 28.600 1.00 41.68 ? 573 HOH A O 1 HETATM 4278 O O . HOH J 6 . ? -8.925 8.089 23.043 1.00 29.75 ? 574 HOH A O 1 HETATM 4279 O O . HOH J 6 . ? -31.838 -6.687 50.488 1.00 31.43 ? 575 HOH A O 1 HETATM 4280 O O . HOH J 6 . ? -17.917 -0.775 11.068 1.00 29.30 ? 576 HOH A O 1 HETATM 4281 O O . HOH J 6 . ? -2.691 11.202 49.477 1.00 30.89 ? 577 HOH A O 1 HETATM 4282 O O . HOH J 6 . ? -5.729 5.509 44.352 1.00 28.60 ? 578 HOH A O 1 HETATM 4283 O O . HOH J 6 . ? -25.974 -7.047 36.876 1.00 30.61 ? 579 HOH A O 1 HETATM 4284 O O . HOH J 6 . ? -8.989 0.351 34.878 1.00 23.19 ? 580 HOH A O 1 HETATM 4285 O O . HOH J 6 . ? -4.285 1.513 31.105 1.00 28.10 ? 581 HOH A O 1 HETATM 4286 O O . HOH J 6 . ? -3.563 17.840 49.477 1.00 26.09 ? 582 HOH A O 1 HETATM 4287 O O . HOH J 6 . ? -29.898 11.392 42.782 1.00 24.93 ? 583 HOH A O 1 HETATM 4288 O O . HOH J 6 . ? -6.803 0.538 31.960 1.00 26.98 ? 584 HOH A O 1 HETATM 4289 O O . HOH J 6 . ? -24.734 -2.595 60.606 1.00 29.08 ? 585 HOH A O 1 HETATM 4290 O O . HOH J 6 . ? -21.546 24.548 57.286 1.00 30.67 ? 586 HOH A O 1 HETATM 4291 O O . HOH J 6 . ? -3.253 23.648 53.353 1.00 28.57 ? 587 HOH A O 1 HETATM 4292 O O . HOH J 6 . ? -18.061 -6.252 32.821 1.00 29.32 ? 588 HOH A O 1 HETATM 4293 O O . HOH J 6 . ? -20.665 -9.017 42.822 1.00 37.72 ? 589 HOH A O 1 HETATM 4294 O O . HOH J 6 . ? -25.287 26.877 50.009 1.00 30.08 ? 590 HOH A O 1 HETATM 4295 O O . HOH J 6 . ? -12.580 2.834 14.084 1.00 27.24 ? 591 HOH A O 1 HETATM 4296 O O . HOH J 6 . ? -19.520 32.623 48.617 1.00 31.55 ? 592 HOH A O 1 HETATM 4297 O O . HOH J 6 . ? -22.391 -1.420 5.732 1.00 37.58 ? 593 HOH A O 1 HETATM 4298 O O . HOH J 6 . ? -24.482 -2.842 47.036 1.00 33.13 ? 594 HOH A O 1 HETATM 4299 O O . HOH J 6 . ? -9.885 -10.139 23.593 1.00 33.01 ? 595 HOH A O 1 HETATM 4300 O O . HOH J 6 . ? -33.164 8.796 -16.773 1.00 32.46 ? 596 HOH A O 1 HETATM 4301 O O . HOH J 6 . ? -8.862 18.406 59.832 1.00 30.61 ? 597 HOH A O 1 HETATM 4302 O O . HOH J 6 . ? -31.529 5.280 -3.003 1.00 32.81 ? 598 HOH A O 1 HETATM 4303 O O . HOH J 6 . ? -11.482 -3.216 35.829 1.00 28.42 ? 599 HOH A O 1 HETATM 4304 O O . HOH J 6 . ? -15.802 9.358 31.760 1.00 31.27 ? 600 HOH A O 1 HETATM 4305 O O . HOH J 6 . ? -15.335 8.917 48.743 1.00 30.58 ? 601 HOH A O 1 HETATM 4306 O O . HOH J 6 . ? -18.346 -12.001 54.330 1.00 32.64 ? 602 HOH A O 1 HETATM 4307 O O . HOH J 6 . ? -31.662 -2.949 60.900 1.00 30.68 ? 603 HOH A O 1 HETATM 4308 O O . HOH J 6 . ? -23.702 19.123 39.176 1.00 28.05 ? 604 HOH A O 1 HETATM 4309 O O . HOH J 6 . ? -26.698 0.958 45.325 1.00 27.18 ? 605 HOH A O 1 HETATM 4310 O O . HOH J 6 . ? -20.643 0.435 63.075 1.00 37.61 ? 606 HOH A O 1 HETATM 4311 O O . HOH J 6 . ? -20.908 1.965 -2.492 1.00 40.15 ? 607 HOH A O 1 HETATM 4312 O O . HOH J 6 . ? -14.575 4.422 11.939 1.00 33.29 ? 608 HOH A O 1 HETATM 4313 O O . HOH J 6 . ? -40.971 3.529 60.467 1.00 32.61 ? 609 HOH A O 1 HETATM 4314 O O . HOH J 6 . ? -3.940 3.674 38.790 1.00 29.97 ? 610 HOH A O 1 HETATM 4315 O O . HOH J 6 . ? -25.749 15.722 55.092 1.00 42.90 ? 611 HOH A O 1 HETATM 4316 O O . HOH J 6 . ? -24.097 18.645 48.410 1.00 28.88 ? 612 HOH A O 1 HETATM 4317 O O . HOH J 6 . ? -22.991 4.866 25.155 1.00 38.07 ? 613 HOH A O 1 HETATM 4318 O O . HOH J 6 . ? -6.510 -0.732 42.355 1.00 35.54 ? 614 HOH A O 1 HETATM 4319 O O . HOH J 6 . ? -13.943 10.711 72.891 1.00 35.49 ? 615 HOH A O 1 HETATM 4320 O O . HOH J 6 . ? -11.331 8.163 18.396 1.00 36.94 ? 616 HOH A O 1 HETATM 4321 O O . HOH J 6 . ? -15.365 -2.387 13.590 1.00 34.83 ? 617 HOH A O 1 HETATM 4322 O O . HOH J 6 . ? -12.396 -6.118 43.318 1.00 28.47 ? 618 HOH A O 1 HETATM 4323 O O . HOH J 6 . ? -26.252 18.320 68.289 1.00 36.18 ? 619 HOH A O 1 HETATM 4324 O O . HOH J 6 . ? -1.791 6.678 36.149 1.00 32.06 ? 620 HOH A O 1 HETATM 4325 O O . HOH J 6 . ? -11.141 2.041 59.743 1.00 43.85 ? 621 HOH A O 1 HETATM 4326 O O . HOH J 6 . ? -9.747 9.139 25.299 1.00 33.41 ? 622 HOH A O 1 HETATM 4327 O O . HOH J 6 . ? -28.623 -2.948 -19.046 1.00 40.36 ? 623 HOH A O 1 HETATM 4328 O O . HOH J 6 . ? -7.081 3.294 48.418 1.00 34.29 ? 624 HOH A O 1 HETATM 4329 O O . HOH J 6 . ? -26.423 -6.930 56.936 1.00 33.19 ? 625 HOH A O 1 HETATM 4330 O O . HOH J 6 . ? -28.518 -0.198 0.990 1.00 39.38 ? 626 HOH A O 1 HETATM 4331 O O . HOH J 6 . ? -10.368 -1.796 31.324 1.00 24.76 ? 627 HOH A O 1 HETATM 4332 O O . HOH J 6 . ? -12.368 -8.278 29.685 1.00 36.24 ? 628 HOH A O 1 HETATM 4333 O O . HOH J 6 . ? -19.268 -8.753 31.334 1.00 40.04 ? 629 HOH A O 1 HETATM 4334 O O . HOH J 6 . ? -5.553 26.378 55.146 1.00 30.16 ? 630 HOH A O 1 HETATM 4335 O O . HOH J 6 . ? -16.585 -16.549 56.914 1.00 36.90 ? 631 HOH A O 1 HETATM 4336 O O . HOH J 6 . ? -12.144 27.414 57.808 1.00 33.91 ? 632 HOH A O 1 HETATM 4337 O O . HOH J 6 . ? -1.887 11.887 59.667 1.00 39.79 ? 633 HOH A O 1 HETATM 4338 O O . HOH J 6 . ? -21.604 -0.418 -10.790 1.00 40.96 ? 634 HOH A O 1 HETATM 4339 O O . HOH J 6 . ? -8.263 -3.951 25.067 1.00 35.45 ? 635 HOH A O 1 HETATM 4340 O O . HOH J 6 . ? -7.999 1.188 50.840 1.00 33.38 ? 636 HOH A O 1 HETATM 4341 O O . HOH J 6 . ? -10.924 -8.411 50.715 1.00 32.34 ? 637 HOH A O 1 HETATM 4342 O O . HOH J 6 . ? -8.307 -3.841 49.790 1.00 28.54 ? 638 HOH A O 1 HETATM 4343 O O . HOH J 6 . ? -24.779 -5.551 26.874 1.00 32.33 ? 639 HOH A O 1 HETATM 4344 O O . HOH J 6 . ? -21.478 1.212 -8.376 1.00 38.33 ? 640 HOH A O 1 HETATM 4345 O O . HOH J 6 . ? -15.864 11.205 22.027 1.00 40.20 ? 641 HOH A O 1 HETATM 4346 O O . HOH J 6 . ? -22.344 19.767 30.918 1.00 30.12 ? 642 HOH A O 1 HETATM 4347 O O . HOH J 6 . ? -19.549 11.938 8.750 1.00 42.97 ? 643 HOH A O 1 HETATM 4348 O O . HOH J 6 . ? -30.027 12.398 66.183 1.00 40.94 ? 644 HOH A O 1 HETATM 4349 O O . HOH J 6 . ? -26.066 -0.154 61.498 1.00 38.35 ? 645 HOH A O 1 HETATM 4350 O O . HOH J 6 . ? -7.146 17.889 31.194 1.00 35.81 ? 646 HOH A O 1 HETATM 4351 O O . HOH J 6 . ? -37.690 -5.804 56.366 1.00 35.38 ? 647 HOH A O 1 HETATM 4352 O O . HOH J 6 . ? -30.254 16.917 46.469 1.00 40.89 ? 648 HOH A O 1 HETATM 4353 O O . HOH J 6 . ? -28.766 15.959 53.159 1.00 41.69 ? 649 HOH A O 1 HETATM 4354 O O . HOH J 6 . ? -24.453 -4.730 -9.258 1.00 48.18 ? 650 HOH A O 1 HETATM 4355 O O . HOH J 6 . ? -2.150 1.429 32.833 1.00 30.65 ? 651 HOH A O 1 HETATM 4356 O O . HOH J 6 . ? -7.734 -1.933 30.766 1.00 30.47 ? 652 HOH A O 1 HETATM 4357 O O . HOH J 6 . ? -4.579 8.059 40.180 1.00 27.81 ? 653 HOH A O 1 HETATM 4358 O O . HOH J 6 . ? -7.936 -1.507 50.961 1.00 41.83 ? 654 HOH A O 1 HETATM 4359 O O . HOH J 6 . ? -31.640 6.034 -0.188 1.00 41.07 ? 655 HOH A O 1 HETATM 4360 O O . HOH J 6 . ? -23.611 -3.820 5.163 1.00 40.71 ? 656 HOH A O 1 HETATM 4361 O O . HOH J 6 . ? -22.367 -8.530 45.935 1.00 35.09 ? 657 HOH A O 1 HETATM 4362 O O . HOH J 6 . ? -34.905 11.027 64.609 1.00 37.04 ? 658 HOH A O 1 HETATM 4363 O O . HOH J 6 . ? -27.810 26.396 50.851 1.00 33.54 ? 659 HOH A O 1 HETATM 4364 O O . HOH J 6 . ? -15.717 6.680 12.266 1.00 40.05 ? 660 HOH A O 1 HETATM 4365 O O . HOH J 6 . ? -12.168 -11.023 58.681 1.00 39.25 ? 661 HOH A O 1 HETATM 4366 O O . HOH J 6 . ? -28.728 2.594 46.408 1.00 34.78 ? 662 HOH A O 1 HETATM 4367 O O . HOH J 6 . ? -8.274 23.781 56.483 1.00 43.06 ? 663 HOH A O 1 HETATM 4368 O O . HOH J 6 . ? -26.873 -2.915 29.186 1.00 35.74 ? 664 HOH A O 1 HETATM 4369 O O . HOH J 6 . ? -30.934 6.821 70.923 1.00 54.07 ? 665 HOH A O 1 HETATM 4370 O O . HOH J 6 . ? -16.250 -11.095 47.639 1.00 33.91 ? 666 HOH A O 1 HETATM 4371 O O . HOH J 6 . ? -12.848 -0.565 14.957 1.00 36.27 ? 667 HOH A O 1 HETATM 4372 O O . HOH J 6 . ? -20.725 18.759 33.743 1.00 39.09 ? 668 HOH A O 1 HETATM 4373 O O . HOH J 6 . ? -13.027 1.447 55.645 1.00 30.87 ? 669 HOH A O 1 HETATM 4374 O O B HOH J 6 . ? -21.064 10.291 31.863 0.50 24.08 ? 670 HOH A O 1 HETATM 4375 O O . HOH J 6 . ? -5.439 -0.423 38.331 1.00 45.85 ? 671 HOH A O 1 HETATM 4376 O O . HOH J 6 . ? -31.975 15.158 51.507 1.00 44.21 ? 672 HOH A O 1 HETATM 4377 O O . HOH J 6 . ? -26.867 -1.673 11.504 1.00 38.96 ? 673 HOH A O 1 HETATM 4378 O O . HOH J 6 . ? -16.896 5.104 -45.600 1.00 42.84 ? 674 HOH A O 1 HETATM 4379 O O . HOH J 6 . ? -22.621 -5.808 11.987 1.00 42.93 ? 675 HOH A O 1 HETATM 4380 O O . HOH J 6 . ? -1.732 12.891 43.539 1.00 37.74 ? 676 HOH A O 1 HETATM 4381 O O . HOH J 6 . ? -29.821 18.278 53.686 1.00 43.51 ? 677 HOH A O 1 HETATM 4382 O O . HOH J 6 . ? -4.637 7.230 58.793 1.00 39.76 ? 678 HOH A O 1 HETATM 4383 O O . HOH J 6 . ? -30.274 18.237 64.824 1.00 44.66 ? 679 HOH A O 1 HETATM 4384 O O . HOH J 6 . ? -14.315 18.517 32.757 1.00 38.29 ? 680 HOH A O 1 HETATM 4385 O O . HOH J 6 . ? -9.840 -7.211 47.789 1.00 36.28 ? 681 HOH A O 1 HETATM 4386 O O . HOH J 6 . ? -29.442 -2.787 47.286 1.00 38.21 ? 682 HOH A O 1 HETATM 4387 O O . HOH J 6 . ? -8.509 -4.388 16.798 1.00 44.19 ? 683 HOH A O 1 HETATM 4388 O O . HOH J 6 . ? -21.795 21.555 45.531 1.00 37.89 ? 684 HOH A O 1 HETATM 4389 O O . HOH J 6 . ? -15.841 21.109 36.378 1.00 42.97 ? 685 HOH A O 1 HETATM 4390 O O . HOH J 6 . ? -20.759 12.239 73.959 1.00 44.22 ? 686 HOH A O 1 HETATM 4391 O O . HOH J 6 . ? -32.054 14.789 42.041 1.00 33.58 ? 687 HOH A O 1 HETATM 4392 O O . HOH J 6 . ? -37.710 -3.663 61.753 1.00 44.24 ? 688 HOH A O 1 HETATM 4393 O O . HOH J 6 . ? -11.662 29.051 45.899 1.00 41.39 ? 689 HOH A O 1 HETATM 4394 O O . HOH J 6 . ? -10.342 3.938 66.024 1.00 31.69 ? 690 HOH A O 1 HETATM 4395 O O . HOH J 6 . ? -13.131 -6.638 45.990 1.00 29.71 ? 691 HOH A O 1 HETATM 4396 O O . HOH J 6 . ? -31.110 11.407 68.362 1.00 38.85 ? 692 HOH A O 1 HETATM 4397 O O . HOH J 6 . ? -19.709 -6.754 23.509 1.00 47.16 ? 693 HOH A O 1 HETATM 4398 O O . HOH J 6 . ? -23.611 -6.534 20.127 1.00 36.14 ? 694 HOH A O 1 HETATM 4399 O O . HOH J 6 . ? -29.842 16.784 48.993 1.00 45.38 ? 695 HOH A O 1 HETATM 4400 O O . HOH J 6 . ? -12.452 -8.739 57.092 1.00 37.17 ? 696 HOH A O 1 HETATM 4401 O O . HOH J 6 . ? -20.466 17.128 29.184 1.00 44.20 ? 697 HOH A O 1 HETATM 4402 O O . HOH J 6 . ? -18.112 -6.856 50.653 1.00 37.73 ? 698 HOH A O 1 HETATM 4403 O O . HOH J 6 . ? -18.853 -15.814 55.799 1.00 36.25 ? 699 HOH A O 1 HETATM 4404 O O . HOH J 6 . ? -2.109 10.144 38.908 1.00 40.71 ? 700 HOH A O 1 HETATM 4405 O O . HOH J 6 . ? -38.258 8.817 64.826 1.00 45.60 ? 701 HOH A O 1 HETATM 4406 O O . HOH J 6 . ? -17.212 -9.738 44.056 1.00 39.44 ? 702 HOH A O 1 HETATM 4407 O O . HOH J 6 . ? -36.018 13.457 54.716 1.00 44.65 ? 703 HOH A O 1 HETATM 4408 O O . HOH J 6 . ? -25.331 -8.598 32.855 1.00 39.02 ? 704 HOH A O 1 HETATM 4409 O O . HOH J 6 . ? -11.182 30.789 47.853 1.00 42.52 ? 705 HOH A O 1 HETATM 4410 O O . HOH J 6 . ? -1.282 9.320 51.210 1.00 33.03 ? 706 HOH A O 1 HETATM 4411 O O . HOH J 6 . ? -11.949 -3.777 56.984 1.00 46.95 ? 707 HOH A O 1 HETATM 4412 O O . HOH J 6 . ? -23.990 20.295 46.294 1.00 40.77 ? 708 HOH A O 1 HETATM 4413 O O . HOH J 6 . ? -5.593 -3.714 20.332 1.00 46.83 ? 709 HOH A O 1 HETATM 4414 O O . HOH J 6 . ? -3.537 12.085 35.072 1.00 39.10 ? 710 HOH A O 1 HETATM 4415 O O . HOH J 6 . ? -3.621 16.978 36.633 1.00 45.97 ? 711 HOH A O 1 HETATM 4416 O O . HOH J 6 . ? -24.511 -6.091 51.075 1.00 40.86 ? 712 HOH A O 1 HETATM 4417 O O . HOH J 6 . ? -34.604 0.370 -13.643 1.00 44.14 ? 713 HOH A O 1 HETATM 4418 O O . HOH J 6 . ? -18.436 -9.294 41.499 1.00 35.13 ? 714 HOH A O 1 HETATM 4419 O O . HOH J 6 . ? -16.398 6.558 1.151 1.00 51.17 ? 715 HOH A O 1 HETATM 4420 O O . HOH J 6 . ? -6.849 -3.114 44.428 1.00 39.28 ? 716 HOH A O 1 HETATM 4421 O O . HOH J 6 . ? -5.264 -11.001 22.715 1.00 41.11 ? 717 HOH A O 1 HETATM 4422 O O . HOH J 6 . ? -17.758 16.268 27.628 1.00 39.87 ? 718 HOH A O 1 HETATM 4423 O O . HOH J 6 . ? -37.084 6.086 67.792 1.00 34.98 ? 719 HOH A O 1 HETATM 4424 O O . HOH J 6 . ? -31.281 1.605 -2.713 1.00 40.02 ? 720 HOH A O 1 HETATM 4425 O O . HOH J 6 . ? -7.523 -1.058 36.721 1.00 36.31 ? 721 HOH A O 1 HETATM 4426 O O . HOH J 6 . ? -6.789 -0.688 34.249 1.00 36.37 ? 722 HOH A O 1 HETATM 4427 O O . HOH J 6 . ? -2.243 16.341 45.758 1.00 52.25 ? 724 HOH A O 1 HETATM 4428 O O . HOH J 6 . ? -10.261 0.388 54.849 1.00 42.07 ? 725 HOH A O 1 HETATM 4429 O O . HOH J 6 . ? -19.816 24.946 66.064 1.00 35.23 ? 726 HOH A O 1 HETATM 4430 O O . HOH J 6 . ? -1.699 8.695 40.873 1.00 45.77 ? 727 HOH A O 1 HETATM 4431 O O . HOH J 6 . ? -32.398 4.856 17.468 1.00 45.54 ? 728 HOH A O 1 HETATM 4432 O O . HOH J 6 . ? -28.008 -1.796 15.136 1.00 39.74 ? 729 HOH A O 1 HETATM 4433 O O . HOH J 6 . ? -21.525 -5.214 62.535 1.00 56.37 ? 730 HOH A O 1 HETATM 4434 O O . HOH J 6 . ? -22.620 -7.718 14.251 1.00 56.89 ? 731 HOH A O 1 HETATM 4435 O O . HOH J 6 . ? -28.792 -1.050 29.727 1.00 39.16 ? 732 HOH A O 1 HETATM 4436 O O . HOH J 6 . ? -28.312 5.289 45.583 1.00 50.24 ? 733 HOH A O 1 HETATM 4437 O O . HOH J 6 . ? -31.238 8.624 41.693 1.00 38.52 ? 734 HOH A O 1 HETATM 4438 O O . HOH J 6 . ? -19.121 10.012 18.517 1.00 52.64 ? 735 HOH A O 1 HETATM 4439 O O . HOH J 6 . ? -8.215 30.817 49.133 1.00 45.42 ? 736 HOH A O 1 HETATM 4440 O O . HOH J 6 . ? -4.658 0.102 20.395 1.00 51.70 ? 737 HOH A O 1 HETATM 4441 O O . HOH J 6 . ? -10.358 1.503 13.789 1.00 47.07 ? 738 HOH A O 1 HETATM 4442 O O . HOH J 6 . ? -0.718 8.683 37.591 1.00 45.82 ? 739 HOH A O 1 HETATM 4443 O O . HOH J 6 . ? -27.135 8.128 75.244 1.00 63.44 ? 740 HOH A O 1 HETATM 4444 O O . HOH J 6 . ? -11.840 15.739 24.420 1.00 48.00 ? 741 HOH A O 1 HETATM 4445 O O . HOH J 6 . ? -10.873 24.897 38.099 1.00 50.35 ? 742 HOH A O 1 HETATM 4446 O O . HOH J 6 . ? -3.662 4.566 28.427 1.00 36.80 ? 743 HOH A O 1 HETATM 4447 O O . HOH J 6 . ? -27.014 -9.060 58.510 1.00 36.73 ? 744 HOH A O 1 HETATM 4448 O O . HOH J 6 . ? -31.206 -9.965 59.379 1.00 42.17 ? 745 HOH A O 1 HETATM 4449 O O . HOH K 6 . ? -22.337 17.998 -17.845 1.00 38.38 ? 178 HOH B O 1 HETATM 4450 O O . HOH K 6 . ? -26.260 11.793 33.945 1.00 20.15 ? 179 HOH B O 1 HETATM 4451 O O . HOH K 6 . ? -39.104 16.755 39.003 1.00 20.90 ? 180 HOH B O 1 HETATM 4452 O O . HOH K 6 . ? -23.759 12.830 30.559 1.00 32.46 ? 181 HOH B O 1 HETATM 4453 O O . HOH K 6 . ? -26.620 10.525 17.854 1.00 35.20 ? 182 HOH B O 1 HETATM 4454 O O . HOH K 6 . ? -30.439 8.396 -16.295 1.00 26.44 ? 183 HOH B O 1 HETATM 4455 O O . HOH K 6 . ? -29.258 20.662 -26.223 1.00 35.48 ? 184 HOH B O 1 HETATM 4456 O O . HOH K 6 . ? -31.435 10.071 -34.671 1.00 28.02 ? 185 HOH B O 1 HETATM 4457 O O . HOH K 6 . ? -13.063 7.293 -35.552 1.00 49.08 ? 186 HOH B O 1 HETATM 4458 O O . HOH K 6 . ? -26.878 3.796 -26.265 1.00 28.66 ? 187 HOH B O 1 HETATM 4459 O O . HOH K 6 . ? -28.228 17.062 -38.428 1.00 31.96 ? 188 HOH B O 1 HETATM 4460 O O . HOH K 6 . ? -34.380 17.903 38.075 1.00 23.25 ? 189 HOH B O 1 HETATM 4461 O O . HOH K 6 . ? -35.348 10.252 -21.181 1.00 30.37 ? 190 HOH B O 1 HETATM 4462 O O . HOH K 6 . ? -32.214 3.833 -30.240 1.00 31.74 ? 191 HOH B O 1 HETATM 4463 O O . HOH K 6 . ? -38.148 10.491 -25.568 1.00 38.17 ? 192 HOH B O 1 HETATM 4464 O O . HOH K 6 . ? -39.594 9.078 28.472 1.00 36.12 ? 193 HOH B O 1 HETATM 4465 O O . HOH K 6 . ? -33.795 10.686 28.289 1.00 38.10 ? 194 HOH B O 1 HETATM 4466 O O . HOH K 6 . ? -38.163 6.810 45.412 1.00 38.50 ? 195 HOH B O 1 HETATM 4467 O O . HOH K 6 . ? -37.039 18.115 37.190 1.00 24.22 ? 196 HOH B O 1 HETATM 4468 O O . HOH K 6 . ? -33.145 8.092 0.665 1.00 36.74 ? 197 HOH B O 1 HETATM 4469 O O . HOH K 6 . ? -36.956 9.517 -11.223 1.00 36.74 ? 198 HOH B O 1 HETATM 4470 O O . HOH K 6 . ? -41.649 12.100 41.987 1.00 36.20 ? 199 HOH B O 1 HETATM 4471 O O . HOH K 6 . ? -30.579 2.389 -28.441 1.00 33.09 ? 200 HOH B O 1 HETATM 4472 O O . HOH K 6 . ? -27.362 23.814 -36.779 1.00 36.15 ? 201 HOH B O 1 HETATM 4473 O O . HOH K 6 . ? -39.496 13.407 19.662 1.00 32.69 ? 202 HOH B O 1 HETATM 4474 O O . HOH K 6 . ? -18.006 19.181 -50.847 1.00 37.81 ? 203 HOH B O 1 HETATM 4475 O O . HOH K 6 . ? -32.033 7.654 33.223 1.00 36.52 ? 204 HOH B O 1 HETATM 4476 O O . HOH K 6 . ? -38.553 15.668 15.066 1.00 35.51 ? 205 HOH B O 1 HETATM 4477 O O . HOH K 6 . ? -23.116 3.447 -36.330 1.00 41.28 ? 206 HOH B O 1 HETATM 4478 O O . HOH K 6 . ? -26.597 18.905 -18.136 1.00 37.59 ? 207 HOH B O 1 HETATM 4479 O O . HOH K 6 . ? -23.132 16.864 -22.843 1.00 36.72 ? 208 HOH B O 1 HETATM 4480 O O . HOH K 6 . ? -28.049 3.471 -28.850 1.00 33.39 ? 209 HOH B O 1 HETATM 4481 O O . HOH K 6 . ? -39.683 9.731 31.506 1.00 30.71 ? 210 HOH B O 1 HETATM 4482 O O . HOH K 6 . ? -26.286 20.988 -27.314 1.00 33.06 ? 211 HOH B O 1 HETATM 4483 O O . HOH K 6 . ? -30.775 17.653 -12.873 1.00 35.19 ? 212 HOH B O 1 HETATM 4484 O O . HOH K 6 . ? -40.192 14.346 41.827 1.00 41.78 ? 213 HOH B O 1 HETATM 4485 O O . HOH K 6 . ? -30.932 19.551 -22.625 1.00 37.53 ? 214 HOH B O 1 HETATM 4486 O O . HOH K 6 . ? -16.521 17.190 -49.783 1.00 37.07 ? 215 HOH B O 1 HETATM 4487 O O . HOH K 6 . ? -24.402 10.477 32.614 1.00 35.97 ? 216 HOH B O 1 HETATM 4488 O O . HOH K 6 . ? -39.242 14.873 -8.505 1.00 48.59 ? 217 HOH B O 1 HETATM 4489 O O . HOH K 6 . ? -34.687 13.756 42.186 1.00 34.24 ? 218 HOH B O 1 HETATM 4490 O O . HOH K 6 . ? -16.952 5.485 -32.667 1.00 42.46 ? 221 HOH B O 1 HETATM 4491 O O . HOH K 6 . ? -14.647 4.545 -44.344 1.00 43.17 ? 226 HOH B O 1 HETATM 4492 O O . HOH K 6 . ? -29.567 3.341 -37.398 1.00 44.16 ? 227 HOH B O 1 HETATM 4493 O O . HOH K 6 . ? -25.063 20.158 9.860 1.00 59.82 ? 228 HOH B O 1 HETATM 4494 O O . HOH K 6 . ? -19.777 17.686 -33.626 1.00 40.20 ? 231 HOH B O 1 HETATM 4495 O O . HOH K 6 . ? -34.346 18.535 40.742 1.00 38.16 ? 235 HOH B O 1 HETATM 4496 O O . HOH K 6 . ? -36.371 5.747 -31.058 1.00 42.09 ? 237 HOH B O 1 HETATM 4497 O O . HOH K 6 . ? -36.713 15.787 41.500 1.00 38.83 ? 238 HOH B O 1 HETATM 4498 O O . HOH K 6 . ? -14.179 2.725 -39.098 1.00 48.84 ? 252 HOH B O 1 HETATM 4499 O O . HOH K 6 . ? -41.860 7.536 40.440 1.00 40.38 ? 256 HOH B O 1 HETATM 4500 O O . HOH K 6 . ? -22.398 21.769 -32.395 1.00 46.78 ? 259 HOH B O 1 HETATM 4501 O O . HOH K 6 . ? -22.591 23.940 -52.145 1.00 54.60 ? 261 HOH B O 1 HETATM 4502 O O . HOH K 6 . ? -22.141 13.062 21.406 1.00 51.23 ? 262 HOH B O 1 HETATM 4503 O O . HOH K 6 . ? -21.506 23.168 -38.634 1.00 37.03 ? 266 HOH B O 1 HETATM 4504 O O . HOH K 6 . ? -38.454 19.717 2.997 1.00 45.12 ? 267 HOH B O 1 HETATM 4505 O O . HOH K 6 . ? -35.861 17.786 -23.625 1.00 48.27 ? 271 HOH B O 1 HETATM 4506 O O . HOH K 6 . ? -18.384 21.534 -49.841 1.00 54.80 ? 273 HOH B O 1 HETATM 4507 O O . HOH K 6 . ? -25.494 20.016 -47.779 1.00 43.46 ? 274 HOH B O 1 HETATM 4508 O O . HOH K 6 . ? -15.889 -1.226 -30.410 1.00 43.11 ? 277 HOH B O 1 HETATM 4509 O O . HOH K 6 . ? -14.678 9.863 -28.842 1.00 43.44 ? 281 HOH B O 1 HETATM 4510 O O . HOH K 6 . ? -14.298 11.348 -45.433 1.00 45.68 ? 286 HOH B O 1 HETATM 4511 O O . HOH K 6 . ? -29.582 22.259 -37.492 1.00 41.50 ? 287 HOH B O 1 HETATM 4512 O O . HOH K 6 . ? -27.560 21.914 -48.290 1.00 43.66 ? 290 HOH B O 1 HETATM 4513 O O . HOH K 6 . ? -13.871 8.921 -20.930 1.00 58.54 ? 292 HOH B O 1 HETATM 4514 O O . HOH K 6 . ? -32.063 8.930 20.507 1.00 44.22 ? 295 HOH B O 1 HETATM 4515 O O . HOH K 6 . ? -34.094 11.314 -16.780 1.00 43.61 ? 297 HOH B O 1 HETATM 4516 O O . HOH K 6 . ? -34.941 14.357 -26.204 1.00 46.33 ? 299 HOH B O 1 HETATM 4517 O O . HOH K 6 . ? -13.088 8.614 -30.534 1.00 51.87 ? 306 HOH B O 1 HETATM 4518 O O . HOH K 6 . ? -34.930 11.192 -12.477 1.00 42.10 ? 307 HOH B O 1 HETATM 4519 O O . HOH K 6 . ? -29.361 16.166 25.987 1.00 37.64 ? 308 HOH B O 1 HETATM 4520 O O . HOH K 6 . ? -37.510 11.026 9.928 1.00 44.75 ? 309 HOH B O 1 HETATM 4521 O O . HOH K 6 . ? -36.776 8.941 11.573 1.00 41.19 ? 317 HOH B O 1 HETATM 4522 O O . HOH K 6 . ? -24.686 18.799 -20.994 1.00 37.57 ? 321 HOH B O 1 HETATM 4523 O O . HOH K 6 . ? -39.679 13.186 16.511 1.00 44.93 ? 325 HOH B O 1 HETATM 4524 O O . HOH K 6 . ? -33.875 16.500 -33.212 1.00 39.13 ? 326 HOH B O 1 HETATM 4525 O O . HOH K 6 . ? -39.146 12.565 -15.951 1.00 46.14 ? 330 HOH B O 1 HETATM 4526 O O . HOH K 6 . ? -30.683 18.055 -38.710 1.00 44.05 ? 331 HOH B O 1 HETATM 4527 O O . HOH K 6 . ? -33.602 17.934 -13.261 1.00 49.74 ? 333 HOH B O 1 HETATM 4528 O O . HOH K 6 . ? -33.083 14.497 -41.135 1.00 35.34 ? 334 HOH B O 1 HETATM 4529 O O . HOH K 6 . ? -32.898 6.945 19.274 1.00 47.15 ? 340 HOH B O 1 HETATM 4530 O O . HOH K 6 . ? -18.837 23.144 -39.172 1.00 38.30 ? 344 HOH B O 1 HETATM 4531 O O . HOH K 6 . ? -34.639 3.014 -31.587 1.00 48.05 ? 346 HOH B O 1 HETATM 4532 O O . HOH K 6 . ? -15.085 -2.972 -38.036 1.00 46.22 ? 347 HOH B O 1 HETATM 4533 O O . HOH K 6 . ? -4.759 18.321 -37.054 1.00 66.86 ? 348 HOH B O 1 HETATM 4534 O O . HOH K 6 . ? -34.169 7.131 41.119 1.00 39.74 ? 353 HOH B O 1 HETATM 4535 O O . HOH K 6 . ? -29.433 11.235 26.278 1.00 40.14 ? 364 HOH B O 1 HETATM 4536 O O . HOH K 6 . ? -19.660 10.048 -51.092 1.00 59.81 ? 367 HOH B O 1 HETATM 4537 O O . HOH K 6 . ? -21.520 16.555 -19.880 1.00 48.14 ? 368 HOH B O 1 HETATM 4538 O O . HOH K 6 . ? -34.519 18.856 4.403 1.00 48.72 ? 369 HOH B O 1 HETATM 4539 O O . HOH K 6 . ? -34.836 7.747 -18.606 1.00 39.02 ? 371 HOH B O 1 HETATM 4540 O O . HOH K 6 . ? -29.195 11.125 17.002 1.00 34.28 ? 372 HOH B O 1 HETATM 4541 O O . HOH K 6 . ? -22.995 -2.367 -26.911 1.00 52.30 ? 374 HOH B O 1 HETATM 4542 O O . HOH K 6 . ? -34.685 6.920 33.906 1.00 51.04 ? 377 HOH B O 1 HETATM 4543 O O . HOH K 6 . ? -28.644 1.139 -36.162 1.00 65.19 ? 378 HOH B O 1 HETATM 4544 O O . HOH K 6 . ? -18.440 -2.275 -32.965 1.00 61.36 ? 382 HOH B O 1 HETATM 4545 O O . HOH K 6 . ? -26.026 9.944 -52.640 1.00 58.27 ? 385 HOH B O 1 HETATM 4546 O O . HOH K 6 . ? -30.889 11.075 19.065 1.00 46.54 ? 390 HOH B O 1 HETATM 4547 O O . HOH K 6 . ? -11.733 12.830 -32.149 1.00 56.57 ? 394 HOH B O 1 HETATM 4548 O O . HOH K 6 . ? -27.912 16.221 -57.288 1.00 46.08 ? 401 HOH B O 1 HETATM 4549 O O . HOH K 6 . ? -37.776 4.271 -25.779 1.00 45.34 ? 402 HOH B O 1 HETATM 4550 O O . HOH K 6 . ? -16.080 2.397 -26.045 1.00 53.11 ? 409 HOH B O 1 HETATM 4551 O O . HOH K 6 . ? -28.328 17.387 -10.536 1.00 44.32 ? 411 HOH B O 1 HETATM 4552 O O . HOH K 6 . ? -34.935 20.311 8.196 0.33 30.96 ? 416 HOH B O 1 HETATM 4553 O O . HOH K 6 . ? -17.984 17.997 -28.351 1.00 51.64 ? 421 HOH B O 1 HETATM 4554 O O . HOH K 6 . ? -16.121 12.949 -48.335 1.00 56.39 ? 422 HOH B O 1 HETATM 4555 O O . HOH K 6 . ? -36.398 6.036 7.731 1.00 47.04 ? 426 HOH B O 1 HETATM 4556 O O . HOH K 6 . ? -19.755 25.152 -48.513 1.00 48.57 ? 431 HOH B O 1 HETATM 4557 O O . HOH K 6 . ? -29.076 23.693 -42.209 1.00 48.04 ? 436 HOH B O 1 HETATM 4558 O O . HOH K 6 . ? -31.283 20.152 -37.273 1.00 49.15 ? 437 HOH B O 1 HETATM 4559 O O . HOH K 6 . ? -36.516 2.634 -23.960 1.00 44.86 ? 440 HOH B O 1 HETATM 4560 O O . HOH K 6 . ? -19.178 16.857 -30.411 1.00 49.44 ? 442 HOH B O 1 HETATM 4561 O O . HOH K 6 . ? -26.138 21.990 -29.754 1.00 45.26 ? 445 HOH B O 1 HETATM 4562 O O . HOH K 6 . ? -20.476 19.825 -13.959 1.00 51.44 ? 447 HOH B O 1 HETATM 4563 O O . HOH K 6 . ? -33.969 18.105 -35.392 1.00 51.92 ? 454 HOH B O 1 HETATM 4564 O O . HOH K 6 . ? -35.248 12.314 44.424 1.00 37.89 ? 457 HOH B O 1 HETATM 4565 O O . HOH K 6 . ? -25.023 -7.322 -18.111 1.00 57.27 ? 461 HOH B O 1 HETATM 4566 O O . HOH K 6 . ? -21.849 8.458 -46.452 1.00 49.57 ? 463 HOH B O 1 HETATM 4567 O O . HOH K 6 . ? -11.728 5.102 -35.456 1.00 58.58 ? 464 HOH B O 1 HETATM 4568 O O . HOH K 6 . ? -37.710 13.192 -13.555 1.00 50.20 ? 465 HOH B O 1 HETATM 4569 O O . HOH K 6 . ? -23.997 21.652 7.859 1.00 51.36 ? 469 HOH B O 1 HETATM 4570 O O . HOH K 6 . ? -15.297 17.937 -8.787 1.00 61.07 ? 475 HOH B O 1 HETATM 4571 O O . HOH K 6 . ? -39.037 7.849 -27.072 1.00 43.48 ? 476 HOH B O 1 HETATM 4572 O O . HOH K 6 . ? -30.317 8.459 22.374 1.00 57.76 ? 477 HOH B O 1 HETATM 4573 O O . HOH K 6 . ? -39.818 10.798 20.721 1.00 46.81 ? 479 HOH B O 1 HETATM 4574 O O . HOH K 6 . ? -25.671 23.507 -48.856 1.00 43.06 ? 487 HOH B O 1 HETATM 4575 O O . HOH K 6 . ? -35.292 7.010 1.316 1.00 44.04 ? 494 HOH B O 1 HETATM 4576 O O . HOH K 6 . ? -21.921 15.852 21.291 1.00 53.10 ? 499 HOH B O 1 HETATM 4577 O O . HOH K 6 . ? -32.230 10.110 24.240 1.00 53.63 ? 500 HOH B O 1 HETATM 4578 O O . HOH K 6 . ? -16.938 19.060 -53.349 1.00 42.09 ? 502 HOH B O 1 HETATM 4579 O O . HOH K 6 . ? -33.123 20.595 -28.613 1.00 49.76 ? 504 HOH B O 1 HETATM 4580 O O . HOH K 6 . ? -16.657 25.617 -55.352 1.00 56.52 ? 508 HOH B O 1 HETATM 4581 O O . HOH K 6 . ? -15.172 15.677 -26.846 1.00 57.74 ? 512 HOH B O 1 HETATM 4582 O O . HOH K 6 . ? -21.645 22.106 6.444 1.00 48.77 ? 514 HOH B O 1 HETATM 4583 O O . HOH K 6 . ? -31.090 7.590 30.742 1.00 41.64 ? 523 HOH B O 1 HETATM 4584 O O . HOH K 6 . ? -38.564 6.905 -29.562 1.00 45.88 ? 525 HOH B O 1 HETATM 4585 O O . HOH K 6 . ? -37.692 10.633 -14.989 1.00 56.96 ? 526 HOH B O 1 HETATM 4586 O O . HOH K 6 . ? -34.017 18.357 0.402 1.00 56.06 ? 532 HOH B O 1 HETATM 4587 O O . HOH K 6 . ? -17.367 6.021 -16.377 1.00 46.60 ? 533 HOH B O 1 HETATM 4588 O O . HOH K 6 . ? -10.128 20.620 -44.440 1.00 55.04 ? 538 HOH B O 1 HETATM 4589 O O . HOH K 6 . ? -21.672 -4.160 -31.051 1.00 53.77 ? 541 HOH B O 1 HETATM 4590 O O . HOH K 6 . ? -22.266 18.096 -25.150 1.00 43.91 ? 545 HOH B O 1 HETATM 4591 O O . HOH K 6 . ? -22.222 6.876 -48.868 1.00 55.18 ? 546 HOH B O 1 HETATM 4592 O O . HOH K 6 . ? -27.070 24.984 -46.024 1.00 59.94 ? 547 HOH B O 1 HETATM 4593 O O . HOH K 6 . ? -24.130 25.298 -55.156 1.00 54.11 ? 557 HOH B O 1 HETATM 4594 O O . HOH K 6 . ? -31.494 21.217 -46.615 1.00 53.67 ? 559 HOH B O 1 HETATM 4595 O O . HOH K 6 . ? -19.121 17.127 -25.675 1.00 45.34 ? 562 HOH B O 1 HETATM 4596 O O . HOH K 6 . ? -36.493 8.204 28.319 1.00 59.24 ? 563 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 PRO 1 9 9 PRO PRO A . n A 1 2 GLY 2 10 10 GLY GLY A . n A 1 3 ASP 3 11 11 ASP ASP A . n A 1 4 GLN 4 12 12 GLN GLN A . n A 1 5 ILE 5 13 13 ILE ILE A . n A 1 6 CYS 6 14 14 CYS CYS A . n A 1 7 ILE 7 15 15 ILE ILE A . n A 1 8 GLY 8 16 16 GLY GLY A . n A 1 9 TYR 9 17 17 TYR TYR A . n A 1 10 HIS 10 18 18 HIS HIS A . n A 1 11 ALA 11 19 19 ALA ALA A . n A 1 12 ASN 12 20 20 ASN ASN A . n A 1 13 ASN 13 21 21 ASN ASN A . n A 1 14 SER 14 22 22 SER SER A . n A 1 15 THR 15 23 23 THR THR A . n A 1 16 GLU 16 24 24 GLU GLU A . n A 1 17 LYS 17 25 25 LYS LYS A . n A 1 18 VAL 18 26 26 VAL VAL A . n A 1 19 ASP 19 27 27 ASP ASP A . n A 1 20 THR 20 28 28 THR THR A . n A 1 21 ILE 21 29 29 ILE ILE A . n A 1 22 LEU 22 30 30 LEU LEU A . n A 1 23 GLU 23 31 31 GLU GLU A . n A 1 24 ARG 24 32 32 ARG ARG A . n A 1 25 ASN 25 33 33 ASN ASN A . n A 1 26 VAL 26 34 34 VAL VAL A . n A 1 27 THR 27 35 35 THR THR A . n A 1 28 VAL 28 36 36 VAL VAL A . n A 1 29 THR 29 37 37 THR THR A . n A 1 30 HIS 30 38 38 HIS HIS A . n A 1 31 ALA 31 39 39 ALA ALA A . n A 1 32 LYS 32 40 40 LYS LYS A . n A 1 33 ASP 33 41 41 ASP ASP A . n A 1 34 ILE 34 42 42 ILE ILE A . n A 1 35 LEU 35 43 43 LEU LEU A . n A 1 36 GLU 36 44 44 GLU GLU A . n A 1 37 LYS 37 45 45 LYS LYS A . n A 1 38 THR 38 46 46 THR THR A . n A 1 39 HIS 39 47 47 HIS HIS A . n A 1 40 ASN 40 48 48 ASN ASN A . n A 1 41 GLY 41 49 49 GLY GLY A . n A 1 42 LYS 42 50 50 LYS LYS A . n A 1 43 LEU 43 51 51 LEU LEU A . n A 1 44 CYS 44 52 52 CYS CYS A . n A 1 45 LYS 45 53 53 LYS LYS A . n A 1 46 LEU 46 53 53 LEU LEU A A n A 1 47 ASN 47 54 54 ASN ASN A . n A 1 48 GLY 48 55 55 GLY GLY A . n A 1 49 ILE 49 56 56 ILE ILE A . n A 1 50 PRO 50 57 57 PRO PRO A . n A 1 51 PRO 51 58 58 PRO PRO A . n A 1 52 LEU 52 59 59 LEU LEU A . n A 1 53 GLU 53 60 60 GLU GLU A . n A 1 54 LEU 54 61 61 LEU LEU A . n A 1 55 GLY 55 62 62 GLY GLY A . n A 1 56 ASP 56 63 63 ASP ASP A . n A 1 57 CYS 57 64 64 CYS CYS A . n A 1 58 SER 58 65 65 SER SER A . n A 1 59 ILE 59 66 66 ILE ILE A . n A 1 60 ALA 60 67 67 ALA ALA A . n A 1 61 GLY 61 68 68 GLY GLY A . n A 1 62 TRP 62 69 69 TRP TRP A . n A 1 63 LEU 63 70 70 LEU LEU A . n A 1 64 LEU 64 71 71 LEU LEU A . n A 1 65 GLY 65 72 72 GLY GLY A . n A 1 66 ASN 66 73 73 ASN ASN A . n A 1 67 PRO 67 74 74 PRO PRO A . n A 1 68 GLU 68 75 75 GLU GLU A . n A 1 69 CYS 69 76 76 CYS CYS A . n A 1 70 ASP 70 77 77 ASP ASP A . n A 1 71 ARG 71 78 78 ARG ARG A . n A 1 72 LEU 72 79 79 LEU LEU A . n A 1 73 LEU 73 80 80 LEU LEU A . n A 1 74 SER 74 81 81 SER SER A . n A 1 75 VAL 75 81 81 VAL VAL A A n A 1 76 PRO 76 82 82 PRO PRO A . n A 1 77 GLU 77 83 83 GLU GLU A . n A 1 78 TRP 78 84 84 TRP TRP A . n A 1 79 SER 79 85 85 SER SER A . n A 1 80 TYR 80 86 86 TYR TYR A . n A 1 81 ILE 81 87 87 ILE ILE A . n A 1 82 MET 82 88 88 MET MET A . n A 1 83 GLU 83 89 89 GLU GLU A . n A 1 84 LYS 84 90 90 LYS LYS A . n A 1 85 GLU 85 91 91 GLU GLU A . n A 1 86 ASN 86 92 92 ASN ASN A . n A 1 87 PRO 87 93 93 PRO PRO A . n A 1 88 ARG 88 94 94 ARG ARG A . n A 1 89 ASP 89 95 95 ASP ASP A . n A 1 90 GLY 90 95 95 GLY GLY A A n A 1 91 LEU 91 96 96 LEU LEU A . n A 1 92 CYS 92 97 97 CYS CYS A . n A 1 93 TYR 93 98 98 TYR TYR A . n A 1 94 PRO 94 99 99 PRO PRO A . n A 1 95 GLY 95 100 100 GLY GLY A . n A 1 96 SER 96 101 101 SER SER A . n A 1 97 PHE 97 102 102 PHE PHE A . n A 1 98 ASN 98 103 103 ASN ASN A . n A 1 99 ASP 99 104 104 ASP ASP A . n A 1 100 TYR 100 105 105 TYR TYR A . n A 1 101 GLU 101 106 106 GLU GLU A . n A 1 102 GLU 102 107 107 GLU GLU A . n A 1 103 LEU 103 108 108 LEU LEU A . n A 1 104 LYS 104 109 109 LYS LYS A . n A 1 105 HIS 105 110 110 HIS HIS A . n A 1 106 LEU 106 111 111 LEU LEU A . n A 1 107 LEU 107 112 112 LEU LEU A . n A 1 108 SER 108 113 113 SER SER A . n A 1 109 SER 109 114 114 SER SER A . n A 1 110 VAL 110 115 115 VAL VAL A . n A 1 111 LYS 111 116 116 LYS LYS A . n A 1 112 HIS 112 116 116 HIS HIS A A n A 1 113 PHE 113 116 116 PHE PHE A B n A 1 114 GLU 114 116 116 GLU GLU A C n A 1 115 LYS 115 117 117 LYS LYS A . n A 1 116 VAL 116 118 118 VAL VAL A . n A 1 117 LYS 117 119 119 LYS LYS A . n A 1 118 ILE 118 120 120 ILE ILE A . n A 1 119 LEU 119 121 121 LEU LEU A . n A 1 120 PRO 120 122 122 PRO PRO A . n A 1 121 LYS 121 123 123 LYS LYS A . n A 1 122 ASP 122 125 125 ASP ASP A . n A 1 123 ARG 123 126 126 ARG ARG A . n A 1 124 TRP 124 127 127 TRP TRP A . n A 1 125 THR 125 128 128 THR THR A . n A 1 126 GLN 126 129 129 GLN GLN A . n A 1 127 HIS 127 130 130 HIS HIS A . n A 1 128 THR 128 131 131 THR THR A . n A 1 129 THR 129 132 132 THR THR A . n A 1 130 THR 130 133 133 THR THR A . n A 1 131 GLY 131 134 134 GLY GLY A . n A 1 132 GLY 132 135 135 GLY GLY A . n A 1 133 SER 133 136 136 SER SER A . n A 1 134 ARG 134 137 137 ARG ARG A . n A 1 135 ALA 135 138 138 ALA ALA A . n A 1 136 CYS 136 139 139 CYS CYS A . n A 1 137 ALA 137 140 140 ALA ALA A . n A 1 138 VAL 138 141 141 VAL VAL A . n A 1 139 SER 139 142 142 SER SER A . n A 1 140 GLY 140 143 143 GLY GLY A . n A 1 141 ASN 141 144 144 ASN ASN A . n A 1 142 PRO 142 145 145 PRO PRO A . n A 1 143 SER 143 146 146 SER SER A . n A 1 144 PHE 144 147 147 PHE PHE A . n A 1 145 PHE 145 148 148 PHE PHE A . n A 1 146 ARG 146 149 149 ARG ARG A . n A 1 147 ASN 147 150 150 ASN ASN A . n A 1 148 MET 148 151 151 MET MET A . n A 1 149 VAL 149 152 152 VAL VAL A . n A 1 150 TRP 150 153 153 TRP TRP A . n A 1 151 LEU 151 154 154 LEU LEU A . n A 1 152 THR 152 155 155 THR THR A . n A 1 153 GLU 153 156 156 GLU GLU A . n A 1 154 LYS 154 157 157 LYS LYS A . n A 1 155 GLY 155 158 158 GLY GLY A . n A 1 156 SER 156 159 159 SER SER A . n A 1 157 ASN 157 160 160 ASN ASN A . n A 1 158 TYR 158 161 161 TYR TYR A . n A 1 159 PRO 159 162 162 PRO PRO A . n A 1 160 VAL 160 163 163 VAL VAL A . n A 1 161 ALA 161 164 164 ALA ALA A . n A 1 162 LYS 162 165 165 LYS LYS A . n A 1 163 GLY 163 166 166 GLY GLY A . n A 1 164 SER 164 167 167 SER SER A . n A 1 165 TYR 165 168 168 TYR TYR A . n A 1 166 ASN 166 169 169 ASN ASN A . n A 1 167 ASN 167 170 170 ASN ASN A . n A 1 168 THR 168 171 171 THR THR A . n A 1 169 SER 169 172 172 SER SER A . n A 1 170 GLY 170 173 173 GLY GLY A . n A 1 171 GLU 171 174 174 GLU GLU A . n A 1 172 GLN 172 175 175 GLN GLN A . n A 1 173 MET 173 176 176 MET MET A . n A 1 174 LEU 174 177 177 LEU LEU A . n A 1 175 ILE 175 178 178 ILE ILE A . n A 1 176 ILE 176 179 179 ILE ILE A . n A 1 177 TRP 177 180 180 TRP TRP A . n A 1 178 GLY 178 181 181 GLY GLY A . n A 1 179 VAL 179 182 182 VAL VAL A . n A 1 180 HIS 180 183 183 HIS HIS A . n A 1 181 HIS 181 184 184 HIS HIS A . n A 1 182 PRO 182 185 185 PRO PRO A . n A 1 183 ASN 183 186 186 ASN ASN A . n A 1 184 ASP 184 187 187 ASP ASP A . n A 1 185 GLU 185 188 188 GLU GLU A . n A 1 186 THR 186 189 189 THR THR A . n A 1 187 GLU 187 190 190 GLU GLU A . n A 1 188 GLN 188 191 191 GLN GLN A . n A 1 189 ARG 189 192 192 ARG ARG A . n A 1 190 THR 190 193 193 THR THR A . n A 1 191 LEU 191 194 194 LEU LEU A . n A 1 192 TYR 192 195 195 TYR TYR A . n A 1 193 GLN 193 196 196 GLN GLN A . n A 1 194 ASN 194 197 197 ASN ASN A . n A 1 195 VAL 195 198 198 VAL VAL A . n A 1 196 GLY 196 199 199 GLY GLY A . n A 1 197 THR 197 200 200 THR THR A . n A 1 198 TYR 198 201 201 TYR TYR A . n A 1 199 VAL 199 202 202 VAL VAL A . n A 1 200 SER 200 203 203 SER SER A . n A 1 201 VAL 201 204 204 VAL VAL A . n A 1 202 GLY 202 205 205 GLY GLY A . n A 1 203 THR 203 206 206 THR THR A . n A 1 204 SER 204 207 207 SER SER A . n A 1 205 THR 205 208 208 THR THR A . n A 1 206 LEU 206 209 209 LEU LEU A . n A 1 207 ASN 207 210 210 ASN ASN A . n A 1 208 LYS 208 211 211 LYS LYS A . n A 1 209 ARG 209 212 212 ARG ARG A . n A 1 210 SER 210 213 213 SER SER A . n A 1 211 THR 211 214 214 THR THR A . n A 1 212 PRO 212 215 215 PRO PRO A . n A 1 213 GLU 213 216 216 GLU GLU A . n A 1 214 ILE 214 217 217 ILE ILE A . n A 1 215 ALA 215 218 218 ALA ALA A . n A 1 216 THR 216 219 219 THR THR A . n A 1 217 ARG 217 220 220 ARG ARG A . n A 1 218 PRO 218 221 221 PRO PRO A . n A 1 219 LYS 219 222 222 LYS LYS A . n A 1 220 VAL 220 223 223 VAL VAL A . n A 1 221 ASN 221 224 224 ASN ASN A . n A 1 222 GLY 222 225 225 GLY GLY A . n A 1 223 GLN 223 226 226 GLN GLN A . n A 1 224 GLY 224 227 227 GLY GLY A . n A 1 225 GLY 225 228 228 GLY GLY A . n A 1 226 ARG 226 229 229 ARG ARG A . n A 1 227 MET 227 230 230 MET MET A . n A 1 228 GLU 228 231 231 GLU GLU A . n A 1 229 PHE 229 232 232 PHE PHE A . n A 1 230 SER 230 233 233 SER SER A . n A 1 231 TRP 231 234 234 TRP TRP A . n A 1 232 THR 232 235 235 THR THR A . n A 1 233 LEU 233 236 236 LEU LEU A . n A 1 234 LEU 234 237 237 LEU LEU A . n A 1 235 ASP 235 238 238 ASP ASP A . n A 1 236 MET 236 239 239 MET MET A . n A 1 237 TRP 237 240 240 TRP TRP A . n A 1 238 ASP 238 241 241 ASP ASP A . n A 1 239 THR 239 242 242 THR THR A . n A 1 240 ILE 240 243 243 ILE ILE A . n A 1 241 ASN 241 244 244 ASN ASN A . n A 1 242 PHE 242 245 245 PHE PHE A . n A 1 243 GLU 243 246 246 GLU GLU A . n A 1 244 SER 244 247 247 SER SER A . n A 1 245 THR 245 248 248 THR THR A . n A 1 246 GLY 246 249 249 GLY GLY A . n A 1 247 ASN 247 250 250 ASN ASN A . n A 1 248 LEU 248 251 251 LEU LEU A . n A 1 249 ILE 249 252 252 ILE ILE A . n A 1 250 ALA 250 253 253 ALA ALA A . n A 1 251 PRO 251 254 254 PRO PRO A . n A 1 252 GLU 252 255 255 GLU GLU A . n A 1 253 TYR 253 256 256 TYR TYR A . n A 1 254 GLY 254 257 257 GLY GLY A . n A 1 255 PHE 255 258 258 PHE PHE A . n A 1 256 LYS 256 259 259 LYS LYS A . n A 1 257 ILE 257 260 260 ILE ILE A . n A 1 258 SER 258 261 261 SER SER A . n A 1 259 LYS 259 262 262 LYS LYS A . n A 1 260 ARG 260 263 263 ARG ARG A . n A 1 261 GLY 261 263 263 GLY GLY A A n A 1 262 SER 262 264 264 SER SER A . n A 1 263 SER 263 265 265 SER SER A . n A 1 264 GLY 264 266 266 GLY GLY A . n A 1 265 ILE 265 267 267 ILE ILE A . n A 1 266 MET 266 268 268 MET MET A . n A 1 267 LYS 267 269 269 LYS LYS A . n A 1 268 THR 268 270 270 THR THR A . n A 1 269 GLU 269 271 271 GLU GLU A . n A 1 270 GLY 270 272 272 GLY GLY A . n A 1 271 THR 271 273 273 THR THR A . n A 1 272 LEU 272 274 274 LEU LEU A . n A 1 273 GLU 273 275 275 GLU GLU A . n A 1 274 ASN 274 276 276 ASN ASN A . n A 1 275 CYS 275 277 277 CYS CYS A . n A 1 276 GLU 276 278 278 GLU GLU A . n A 1 277 THR 277 279 279 THR THR A . n A 1 278 LYS 278 280 280 LYS LYS A . n A 1 279 CYS 279 281 281 CYS CYS A . n A 1 280 GLN 280 282 282 GLN GLN A . n A 1 281 THR 281 283 283 THR THR A . n A 1 282 PRO 282 284 284 PRO PRO A . n A 1 283 LEU 283 285 285 LEU LEU A . n A 1 284 GLY 284 286 286 GLY GLY A . n A 1 285 ALA 285 287 287 ALA ALA A . n A 1 286 ILE 286 288 288 ILE ILE A . n A 1 287 ASN 287 289 289 ASN ASN A . n A 1 288 THR 288 290 290 THR THR A . n A 1 289 THR 289 291 291 THR THR A . n A 1 290 LEU 290 292 292 LEU LEU A . n A 1 291 PRO 291 293 293 PRO PRO A . n A 1 292 PHE 292 294 294 PHE PHE A . n A 1 293 HIS 293 295 295 HIS HIS A . n A 1 294 ASN 294 296 296 ASN ASN A . n A 1 295 VAL 295 297 297 VAL VAL A . n A 1 296 HIS 296 298 298 HIS HIS A . n A 1 297 PRO 297 299 299 PRO PRO A . n A 1 298 LEU 298 300 300 LEU LEU A . n A 1 299 THR 299 301 301 THR THR A . n A 1 300 ILE 300 302 302 ILE ILE A . n A 1 301 GLY 301 303 303 GLY GLY A . n A 1 302 GLU 302 304 304 GLU GLU A . n A 1 303 CYS 303 305 305 CYS CYS A . n A 1 304 PRO 304 306 306 PRO PRO A . n A 1 305 LYS 305 307 307 LYS LYS A . n A 1 306 TYR 306 308 308 TYR TYR A . n A 1 307 VAL 307 309 309 VAL VAL A . n A 1 308 LYS 308 310 310 LYS LYS A . n A 1 309 SER 309 311 311 SER SER A . n A 1 310 GLU 310 312 312 GLU GLU A . n A 1 311 LYS 311 313 313 LYS LYS A . n A 1 312 LEU 312 314 314 LEU LEU A . n A 1 313 VAL 313 315 315 VAL VAL A . n A 1 314 LEU 314 316 316 LEU LEU A . n A 1 315 ALA 315 317 317 ALA ALA A . n A 1 316 THR 316 318 318 THR THR A . n A 1 317 GLY 317 319 319 GLY GLY A . n A 1 318 LEU 318 320 320 LEU LEU A . n A 1 319 ARG 319 321 321 ARG ARG A . n A 1 320 ASN 320 322 322 ASN ASN A . n A 1 321 VAL 321 323 323 VAL VAL A . n A 1 322 PRO 322 324 324 PRO PRO A . n A 1 323 GLN 323 325 325 GLN GLN A . n A 1 324 ILE 324 326 326 ILE ILE A . n A 1 325 GLU 325 327 ? ? ? A . n A 1 326 SER 326 328 ? ? ? A . n A 1 327 ARG 327 329 ? ? ? A . n B 2 1 GLY 1 1 1 GLY GLY B . n B 2 2 LEU 2 2 2 LEU LEU B . n B 2 3 PHE 3 3 3 PHE PHE B . n B 2 4 GLY 4 4 4 GLY GLY B . n B 2 5 ALA 5 5 5 ALA ALA B . n B 2 6 ILE 6 6 6 ILE ILE B . n B 2 7 ALA 7 7 7 ALA ALA B . n B 2 8 GLY 8 8 8 GLY GLY B . n B 2 9 PHE 9 9 9 PHE PHE B . n B 2 10 ILE 10 10 10 ILE ILE B . n B 2 11 GLU 11 11 11 GLU GLU B . n B 2 12 GLY 12 12 12 GLY GLY B . n B 2 13 GLY 13 13 13 GLY GLY B . n B 2 14 TRP 14 14 14 TRP TRP B . n B 2 15 GLN 15 15 15 GLN GLN B . n B 2 16 GLY 16 16 16 GLY GLY B . n B 2 17 MET 17 17 17 MET MET B . n B 2 18 VAL 18 18 18 VAL VAL B . n B 2 19 ASP 19 19 19 ASP ASP B . n B 2 20 GLY 20 20 20 GLY GLY B . n B 2 21 TRP 21 21 21 TRP TRP B . n B 2 22 TYR 22 22 22 TYR TYR B . n B 2 23 GLY 23 23 23 GLY GLY B . n B 2 24 TYR 24 24 24 TYR TYR B . n B 2 25 HIS 25 25 25 HIS HIS B . n B 2 26 HIS 26 26 26 HIS HIS B . n B 2 27 SER 27 27 27 SER SER B . n B 2 28 ASN 28 28 28 ASN ASN B . n B 2 29 ASP 29 29 29 ASP ASP B . n B 2 30 GLN 30 30 30 GLN GLN B . n B 2 31 GLY 31 31 31 GLY GLY B . n B 2 32 SER 32 32 32 SER SER B . n B 2 33 GLY 33 33 33 GLY GLY B . n B 2 34 TYR 34 34 34 TYR TYR B . n B 2 35 ALA 35 35 35 ALA ALA B . n B 2 36 ALA 36 36 36 ALA ALA B . n B 2 37 ASP 37 37 37 ASP ASP B . n B 2 38 LYS 38 38 38 LYS LYS B . n B 2 39 GLU 39 39 39 GLU GLU B . n B 2 40 SER 40 40 40 SER SER B . n B 2 41 THR 41 41 41 THR THR B . n B 2 42 GLN 42 42 42 GLN GLN B . n B 2 43 LYS 43 43 43 LYS LYS B . n B 2 44 ALA 44 44 44 ALA ALA B . n B 2 45 PHE 45 45 45 PHE PHE B . n B 2 46 ASP 46 46 46 ASP ASP B . n B 2 47 GLY 47 47 47 GLY GLY B . n B 2 48 ILE 48 48 48 ILE ILE B . n B 2 49 THR 49 49 49 THR THR B . n B 2 50 ASN 50 50 50 ASN ASN B . n B 2 51 LYS 51 51 51 LYS LYS B . n B 2 52 VAL 52 52 52 VAL VAL B . n B 2 53 ASN 53 53 53 ASN ASN B . n B 2 54 SER 54 54 54 SER SER B . n B 2 55 VAL 55 55 55 VAL VAL B . n B 2 56 ILE 56 56 56 ILE ILE B . n B 2 57 GLU 57 57 57 GLU GLU B . n B 2 58 LYS 58 58 58 LYS LYS B . n B 2 59 MET 59 59 59 MET MET B . n B 2 60 ASN 60 60 60 ASN ASN B . n B 2 61 THR 61 61 61 THR THR B . n B 2 62 GLN 62 62 62 GLN GLN B . n B 2 63 PHE 63 63 63 PHE PHE B . n B 2 64 GLU 64 64 64 GLU GLU B . n B 2 65 ALA 65 65 65 ALA ALA B . n B 2 66 VAL 66 66 66 VAL VAL B . n B 2 67 GLY 67 67 67 GLY GLY B . n B 2 68 LYS 68 68 68 LYS LYS B . n B 2 69 GLU 69 69 69 GLU GLU B . n B 2 70 PHE 70 70 70 PHE PHE B . n B 2 71 SER 71 71 71 SER SER B . n B 2 72 ASN 72 72 72 ASN ASN B . n B 2 73 LEU 73 73 73 LEU LEU B . n B 2 74 GLU 74 74 74 GLU GLU B . n B 2 75 ARG 75 75 75 ARG ARG B . n B 2 76 ARG 76 76 76 ARG ARG B . n B 2 77 LEU 77 77 77 LEU LEU B . n B 2 78 GLU 78 78 78 GLU GLU B . n B 2 79 ASN 79 79 79 ASN ASN B . n B 2 80 LEU 80 80 80 LEU LEU B . n B 2 81 ASN 81 81 81 ASN ASN B . n B 2 82 LYS 82 82 82 LYS LYS B . n B 2 83 LYS 83 83 83 LYS LYS B . n B 2 84 MET 84 84 84 MET MET B . n B 2 85 GLU 85 85 85 GLU GLU B . n B 2 86 ASP 86 86 86 ASP ASP B . n B 2 87 GLY 87 87 87 GLY GLY B . n B 2 88 PHE 88 88 88 PHE PHE B . n B 2 89 LEU 89 89 89 LEU LEU B . n B 2 90 ASP 90 90 90 ASP ASP B . n B 2 91 VAL 91 91 91 VAL VAL B . n B 2 92 TRP 92 92 92 TRP TRP B . n B 2 93 THR 93 93 93 THR THR B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 ASN 95 95 95 ASN ASN B . n B 2 96 ALA 96 96 96 ALA ALA B . n B 2 97 GLU 97 97 97 GLU GLU B . n B 2 98 LEU 98 98 98 LEU LEU B . n B 2 99 LEU 99 99 99 LEU LEU B . n B 2 100 VAL 100 100 100 VAL VAL B . n B 2 101 LEU 101 101 101 LEU LEU B . n B 2 102 MET 102 102 102 MET MET B . n B 2 103 GLU 103 103 103 GLU GLU B . n B 2 104 ASN 104 104 104 ASN ASN B . n B 2 105 GLU 105 105 105 GLU GLU B . n B 2 106 ARG 106 106 106 ARG ARG B . n B 2 107 THR 107 107 107 THR THR B . n B 2 108 LEU 108 108 108 LEU LEU B . n B 2 109 ASP 109 109 109 ASP ASP B . n B 2 110 PHE 110 110 110 PHE PHE B . n B 2 111 HIS 111 111 111 HIS HIS B . n B 2 112 ASP 112 112 112 ASP ASP B . n B 2 113 SER 113 113 113 SER SER B . n B 2 114 ASN 114 114 114 ASN ASN B . n B 2 115 VAL 115 115 115 VAL VAL B . n B 2 116 LYS 116 116 116 LYS LYS B . n B 2 117 ASN 117 117 117 ASN ASN B . n B 2 118 LEU 118 118 118 LEU LEU B . n B 2 119 TYR 119 119 119 TYR TYR B . n B 2 120 ASP 120 120 120 ASP ASP B . n B 2 121 LYS 121 121 121 LYS LYS B . n B 2 122 VAL 122 122 122 VAL VAL B . n B 2 123 ARG 123 123 123 ARG ARG B . n B 2 124 MET 124 124 124 MET MET B . n B 2 125 GLN 125 125 125 GLN GLN B . n B 2 126 LEU 126 126 126 LEU LEU B . n B 2 127 ARG 127 127 127 ARG ARG B . n B 2 128 ASP 128 128 128 ASP ASP B . n B 2 129 ASN 129 129 129 ASN ASN B . n B 2 130 VAL 130 130 130 VAL VAL B . n B 2 131 LYS 131 131 131 LYS LYS B . n B 2 132 GLU 132 132 132 GLU GLU B . n B 2 133 LEU 133 133 133 LEU LEU B . n B 2 134 GLY 134 134 134 GLY GLY B . n B 2 135 ASN 135 135 135 ASN ASN B . n B 2 136 GLY 136 136 136 GLY GLY B . n B 2 137 CYS 137 137 137 CYS CYS B . n B 2 138 PHE 138 138 138 PHE PHE B . n B 2 139 GLU 139 139 139 GLU GLU B . n B 2 140 PHE 140 140 140 PHE PHE B . n B 2 141 TYR 141 141 141 TYR TYR B . n B 2 142 HIS 142 142 142 HIS HIS B . n B 2 143 LYS 143 143 143 LYS LYS B . n B 2 144 CYS 144 144 144 CYS CYS B . n B 2 145 ASP 145 145 145 ASP ASP B . n B 2 146 ASP 146 146 146 ASP ASP B . n B 2 147 GLU 147 147 147 GLU GLU B . n B 2 148 CYS 148 148 148 CYS CYS B . n B 2 149 MET 149 149 149 MET MET B . n B 2 150 ASN 150 150 150 ASN ASN B . n B 2 151 SER 151 151 151 SER SER B . n B 2 152 VAL 152 152 152 VAL VAL B . n B 2 153 LYS 153 153 153 LYS LYS B . n B 2 154 ASN 154 154 154 ASN ASN B . n B 2 155 GLY 155 155 155 GLY GLY B . n B 2 156 THR 156 156 156 THR THR B . n B 2 157 TYR 157 157 157 TYR TYR B . n B 2 158 ASP 158 158 158 ASP ASP B . n B 2 159 TYR 159 159 159 TYR TYR B . n B 2 160 PRO 160 160 160 PRO PRO B . n B 2 161 LYS 161 161 161 LYS LYS B . n B 2 162 TYR 162 162 162 TYR TYR B . n B 2 163 GLU 163 163 163 GLU GLU B . n B 2 164 GLU 164 164 164 GLU GLU B . n B 2 165 GLU 165 165 165 GLU GLU B . n B 2 166 SER 166 166 166 SER SER B . n B 2 167 LYS 167 167 167 LYS LYS B . n B 2 168 LEU 168 168 168 LEU LEU B . n B 2 169 ASN 169 169 169 ASN ASN B . n B 2 170 ARG 170 170 170 ARG ARG B . n B 2 171 ASN 171 171 171 ASN ASN B . n B 2 172 GLU 172 172 172 GLU GLU B . n B 2 173 ILE 173 173 ? ? ? B . n B 2 174 LYS 174 174 ? ? ? 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 1 330 330 NAG NAG A . D 3 NAG 2 331 331 NAG NAG A . E 3 NAG 1 332 332 NAG NAG A . F 4 EDO 1 1 1 EDO EDO A . G 3 NAG 1 175 175 NAG NAG B . H 3 NAG 2 176 176 NAG NAG B . I 5 PEG 1 177 177 PEG PEG B . J 6 HOH 1 2 2 HOH HOH A . J 6 HOH 2 3 3 HOH HOH A . J 6 HOH 3 5 5 HOH HOH A . J 6 HOH 4 6 6 HOH HOH A . J 6 HOH 5 7 7 HOH HOH A . J 6 HOH 6 8 8 HOH HOH A . J 6 HOH 7 124 124 HOH HOH A . J 6 HOH 8 333 254 HOH HOH A . J 6 HOH 9 334 334 HOH HOH A . J 6 HOH 10 335 335 HOH HOH A . J 6 HOH 11 336 336 HOH HOH A . J 6 HOH 12 337 337 HOH HOH A . J 6 HOH 13 338 338 HOH HOH A . J 6 HOH 14 339 339 HOH HOH A . J 6 HOH 15 340 340 HOH HOH A . J 6 HOH 16 341 341 HOH HOH A . J 6 HOH 17 342 417 HOH HOH A . J 6 HOH 18 343 343 HOH HOH A . J 6 HOH 19 344 344 HOH HOH A . J 6 HOH 20 345 345 HOH HOH A . J 6 HOH 21 346 346 HOH HOH A . J 6 HOH 22 347 347 HOH HOH A . J 6 HOH 23 348 348 HOH HOH A . J 6 HOH 24 349 349 HOH HOH A . J 6 HOH 25 350 350 HOH HOH A . J 6 HOH 26 351 351 HOH HOH A . J 6 HOH 27 352 352 HOH HOH A . J 6 HOH 28 353 353 HOH HOH A . J 6 HOH 29 354 354 HOH HOH A . J 6 HOH 30 355 355 HOH HOH A . J 6 HOH 31 356 356 HOH HOH A . J 6 HOH 32 357 357 HOH HOH A . J 6 HOH 33 358 358 HOH HOH A . J 6 HOH 34 359 359 HOH HOH A . J 6 HOH 35 360 360 HOH HOH A . J 6 HOH 36 361 361 HOH HOH A . J 6 HOH 37 362 362 HOH HOH A . J 6 HOH 38 363 363 HOH HOH A . J 6 HOH 39 364 364 HOH HOH A . J 6 HOH 40 365 365 HOH HOH A . J 6 HOH 41 366 366 HOH HOH A . J 6 HOH 42 367 367 HOH HOH A . J 6 HOH 43 368 368 HOH HOH A . J 6 HOH 44 369 369 HOH HOH A . J 6 HOH 45 370 370 HOH HOH A . J 6 HOH 46 371 371 HOH HOH A . J 6 HOH 47 372 372 HOH HOH A . J 6 HOH 48 373 373 HOH HOH A . J 6 HOH 49 374 374 HOH HOH A . J 6 HOH 50 375 375 HOH HOH A . J 6 HOH 51 376 376 HOH HOH A . J 6 HOH 52 377 377 HOH HOH A . J 6 HOH 53 378 378 HOH HOH A . J 6 HOH 54 379 379 HOH HOH A . J 6 HOH 55 380 380 HOH HOH A . J 6 HOH 56 381 381 HOH HOH A . J 6 HOH 57 382 382 HOH HOH A . J 6 HOH 58 383 383 HOH HOH A . J 6 HOH 59 384 384 HOH HOH A . J 6 HOH 60 385 385 HOH HOH A . J 6 HOH 61 386 386 HOH HOH A . J 6 HOH 62 387 387 HOH HOH A . J 6 HOH 63 388 388 HOH HOH A . J 6 HOH 64 389 389 HOH HOH A . J 6 HOH 65 390 390 HOH HOH A . J 6 HOH 66 391 391 HOH HOH A . J 6 HOH 67 392 392 HOH HOH A . J 6 HOH 68 393 393 HOH HOH A . J 6 HOH 69 394 394 HOH HOH A . J 6 HOH 70 395 395 HOH HOH A . J 6 HOH 71 396 396 HOH HOH A . J 6 HOH 72 397 397 HOH HOH A . J 6 HOH 73 398 398 HOH HOH A . J 6 HOH 74 399 399 HOH HOH A . J 6 HOH 75 400 400 HOH HOH A . J 6 HOH 76 401 401 HOH HOH A . J 6 HOH 77 402 402 HOH HOH A . J 6 HOH 78 403 403 HOH HOH A . J 6 HOH 79 404 404 HOH HOH A . J 6 HOH 80 405 405 HOH HOH A . J 6 HOH 81 406 406 HOH HOH A . J 6 HOH 82 407 407 HOH HOH A . J 6 HOH 83 408 408 HOH HOH A . J 6 HOH 84 409 409 HOH HOH A . J 6 HOH 85 410 410 HOH HOH A . J 6 HOH 86 411 411 HOH HOH A . J 6 HOH 87 412 412 HOH HOH A . J 6 HOH 88 413 413 HOH HOH A . J 6 HOH 89 415 415 HOH HOH A . J 6 HOH 90 416 416 HOH HOH A . J 6 HOH 91 417 417 HOH HOH A . J 6 HOH 92 418 418 HOH HOH A . J 6 HOH 93 419 419 HOH HOH A . J 6 HOH 94 420 420 HOH HOH A . J 6 HOH 95 421 421 HOH HOH A . J 6 HOH 96 422 422 HOH HOH A . J 6 HOH 97 423 423 HOH HOH A . J 6 HOH 98 424 424 HOH HOH A . J 6 HOH 99 425 425 HOH HOH A . J 6 HOH 100 426 426 HOH HOH A . J 6 HOH 101 427 427 HOH HOH A . J 6 HOH 102 428 428 HOH HOH A . J 6 HOH 103 429 429 HOH HOH A . J 6 HOH 104 430 430 HOH HOH A . J 6 HOH 105 431 431 HOH HOH A . J 6 HOH 106 432 432 HOH HOH A . J 6 HOH 107 433 433 HOH HOH A . J 6 HOH 108 434 434 HOH HOH A . J 6 HOH 109 435 435 HOH HOH A . J 6 HOH 110 436 436 HOH HOH A . J 6 HOH 111 437 437 HOH HOH A . J 6 HOH 112 438 438 HOH HOH A . J 6 HOH 113 439 439 HOH HOH A . J 6 HOH 114 440 440 HOH HOH A . J 6 HOH 115 441 441 HOH HOH A . J 6 HOH 116 442 442 HOH HOH A . J 6 HOH 117 443 443 HOH HOH A . J 6 HOH 118 444 444 HOH HOH A . J 6 HOH 119 445 445 HOH HOH A . J 6 HOH 120 446 446 HOH HOH A . J 6 HOH 121 447 447 HOH HOH A . J 6 HOH 122 448 448 HOH HOH A . J 6 HOH 123 449 449 HOH HOH A . J 6 HOH 124 450 450 HOH HOH A . J 6 HOH 125 451 451 HOH HOH A . J 6 HOH 126 452 452 HOH HOH A . J 6 HOH 127 453 453 HOH HOH A . J 6 HOH 128 454 454 HOH HOH A . J 6 HOH 129 455 455 HOH HOH A . J 6 HOH 130 456 456 HOH HOH A . J 6 HOH 131 457 457 HOH HOH A . J 6 HOH 132 458 458 HOH HOH A . J 6 HOH 133 459 459 HOH HOH A . J 6 HOH 134 460 460 HOH HOH A . J 6 HOH 135 462 462 HOH HOH A . J 6 HOH 136 463 463 HOH HOH A . J 6 HOH 137 464 464 HOH HOH A . J 6 HOH 138 465 465 HOH HOH A . J 6 HOH 139 466 466 HOH HOH A . J 6 HOH 140 467 467 HOH HOH A . J 6 HOH 141 468 468 HOH HOH A . J 6 HOH 142 469 469 HOH HOH A . J 6 HOH 143 470 470 HOH HOH A . J 6 HOH 144 471 471 HOH HOH A . J 6 HOH 145 472 472 HOH HOH A . J 6 HOH 146 473 473 HOH HOH A . J 6 HOH 147 474 474 HOH HOH A . J 6 HOH 148 475 475 HOH HOH A . J 6 HOH 149 476 476 HOH HOH A . J 6 HOH 150 477 477 HOH HOH A . J 6 HOH 151 478 478 HOH HOH A . J 6 HOH 152 479 479 HOH HOH A . J 6 HOH 153 480 480 HOH HOH A . J 6 HOH 154 481 481 HOH HOH A . J 6 HOH 155 482 482 HOH HOH A . J 6 HOH 156 483 483 HOH HOH A . J 6 HOH 157 484 484 HOH HOH A . J 6 HOH 158 485 485 HOH HOH A . J 6 HOH 159 487 487 HOH HOH A . J 6 HOH 160 488 488 HOH HOH A . J 6 HOH 161 489 489 HOH HOH A . J 6 HOH 162 490 490 HOH HOH A . J 6 HOH 163 491 491 HOH HOH A . J 6 HOH 164 492 492 HOH HOH A . J 6 HOH 165 493 493 HOH HOH A . J 6 HOH 166 494 494 HOH HOH A . J 6 HOH 167 495 495 HOH HOH A . J 6 HOH 168 496 496 HOH HOH A . J 6 HOH 169 497 497 HOH HOH A . J 6 HOH 170 498 498 HOH HOH A . J 6 HOH 171 499 499 HOH HOH A . J 6 HOH 172 500 500 HOH HOH A . J 6 HOH 173 501 501 HOH HOH A . J 6 HOH 174 502 502 HOH HOH A . J 6 HOH 175 503 503 HOH HOH A . J 6 HOH 176 504 504 HOH HOH A . J 6 HOH 177 505 505 HOH HOH A . J 6 HOH 178 506 506 HOH HOH A . J 6 HOH 179 507 507 HOH HOH A . J 6 HOH 180 508 508 HOH HOH A . J 6 HOH 181 509 509 HOH HOH A . J 6 HOH 182 510 510 HOH HOH A . J 6 HOH 183 511 511 HOH HOH A . J 6 HOH 184 512 512 HOH HOH A . J 6 HOH 185 513 513 HOH HOH A . J 6 HOH 186 514 514 HOH HOH A . J 6 HOH 187 515 515 HOH HOH A . J 6 HOH 188 516 516 HOH HOH A . J 6 HOH 189 517 517 HOH HOH A . J 6 HOH 190 518 518 HOH HOH A . J 6 HOH 191 519 519 HOH HOH A . J 6 HOH 192 520 520 HOH HOH A . J 6 HOH 193 521 521 HOH HOH A . J 6 HOH 194 522 522 HOH HOH A . J 6 HOH 195 523 523 HOH HOH A . J 6 HOH 196 525 525 HOH HOH A . J 6 HOH 197 526 526 HOH HOH A . J 6 HOH 198 527 527 HOH HOH A . J 6 HOH 199 529 529 HOH HOH A . J 6 HOH 200 530 530 HOH HOH A . J 6 HOH 201 531 531 HOH HOH A . J 6 HOH 202 532 532 HOH HOH A . J 6 HOH 203 533 533 HOH HOH A . J 6 HOH 204 534 534 HOH HOH A . J 6 HOH 205 535 535 HOH HOH A . J 6 HOH 206 536 536 HOH HOH A . J 6 HOH 207 537 537 HOH HOH A . J 6 HOH 208 538 538 HOH HOH A . J 6 HOH 209 539 539 HOH HOH A . J 6 HOH 210 540 540 HOH HOH A . J 6 HOH 211 541 541 HOH HOH A . J 6 HOH 212 542 542 HOH HOH A . J 6 HOH 213 543 543 HOH HOH A . J 6 HOH 214 544 544 HOH HOH A . J 6 HOH 215 545 545 HOH HOH A . J 6 HOH 216 546 546 HOH HOH A . J 6 HOH 217 547 547 HOH HOH A . J 6 HOH 218 548 548 HOH HOH A . J 6 HOH 219 549 549 HOH HOH A . J 6 HOH 220 550 550 HOH HOH A . J 6 HOH 221 551 551 HOH HOH A . J 6 HOH 222 552 552 HOH HOH A . J 6 HOH 223 553 553 HOH HOH A . J 6 HOH 224 554 554 HOH HOH A . J 6 HOH 225 555 555 HOH HOH A . J 6 HOH 226 557 557 HOH HOH A . J 6 HOH 227 559 559 HOH HOH A . J 6 HOH 228 560 560 HOH HOH A . J 6 HOH 229 561 561 HOH HOH A . J 6 HOH 230 562 562 HOH HOH A . J 6 HOH 231 563 563 HOH HOH A . J 6 HOH 232 564 564 HOH HOH A . J 6 HOH 233 565 565 HOH HOH A . J 6 HOH 234 566 566 HOH HOH A . J 6 HOH 235 567 567 HOH HOH A . J 6 HOH 236 568 568 HOH HOH A . J 6 HOH 237 569 569 HOH HOH A . J 6 HOH 238 570 570 HOH HOH A . J 6 HOH 239 571 571 HOH HOH A . J 6 HOH 240 572 572 HOH HOH A . J 6 HOH 241 573 573 HOH HOH A . J 6 HOH 242 574 574 HOH HOH A . J 6 HOH 243 575 575 HOH HOH A . J 6 HOH 244 576 576 HOH HOH A . J 6 HOH 245 577 577 HOH HOH A . J 6 HOH 246 578 578 HOH HOH A . J 6 HOH 247 579 579 HOH HOH A . J 6 HOH 248 580 580 HOH HOH A . J 6 HOH 249 581 581 HOH HOH A . J 6 HOH 250 582 582 HOH HOH A . J 6 HOH 251 583 583 HOH HOH A . J 6 HOH 252 584 584 HOH HOH A . J 6 HOH 253 585 585 HOH HOH A . J 6 HOH 254 586 586 HOH HOH A . J 6 HOH 255 587 587 HOH HOH A . J 6 HOH 256 588 588 HOH HOH A . J 6 HOH 257 589 589 HOH HOH A . J 6 HOH 258 590 590 HOH HOH A . J 6 HOH 259 591 591 HOH HOH A . J 6 HOH 260 592 592 HOH HOH A . J 6 HOH 261 593 593 HOH HOH A . J 6 HOH 262 594 594 HOH HOH A . J 6 HOH 263 595 595 HOH HOH A . J 6 HOH 264 596 596 HOH HOH A . J 6 HOH 265 597 597 HOH HOH A . J 6 HOH 266 598 598 HOH HOH A . J 6 HOH 267 599 599 HOH HOH A . J 6 HOH 268 600 600 HOH HOH A . J 6 HOH 269 601 601 HOH HOH A . J 6 HOH 270 602 602 HOH HOH A . J 6 HOH 271 603 603 HOH HOH A . J 6 HOH 272 604 604 HOH HOH A . J 6 HOH 273 605 605 HOH HOH A . J 6 HOH 274 606 606 HOH HOH A . J 6 HOH 275 607 607 HOH HOH A . J 6 HOH 276 608 608 HOH HOH A . J 6 HOH 277 609 609 HOH HOH A . J 6 HOH 278 610 610 HOH HOH A . J 6 HOH 279 611 611 HOH HOH A . J 6 HOH 280 612 612 HOH HOH A . J 6 HOH 281 613 613 HOH HOH A . J 6 HOH 282 614 614 HOH HOH A . J 6 HOH 283 615 615 HOH HOH A . J 6 HOH 284 616 616 HOH HOH A . J 6 HOH 285 617 617 HOH HOH A . J 6 HOH 286 618 618 HOH HOH A . J 6 HOH 287 619 619 HOH HOH A . J 6 HOH 288 620 620 HOH HOH A . J 6 HOH 289 621 621 HOH HOH A . J 6 HOH 290 622 622 HOH HOH A . J 6 HOH 291 623 623 HOH HOH A . J 6 HOH 292 624 624 HOH HOH A . J 6 HOH 293 625 625 HOH HOH A . J 6 HOH 294 626 626 HOH HOH A . J 6 HOH 295 627 627 HOH HOH A . J 6 HOH 296 628 628 HOH HOH A . J 6 HOH 297 629 629 HOH HOH A . J 6 HOH 298 630 630 HOH HOH A . J 6 HOH 299 631 631 HOH HOH A . J 6 HOH 300 632 632 HOH HOH A . J 6 HOH 301 633 633 HOH HOH A . J 6 HOH 302 634 634 HOH HOH A . J 6 HOH 303 635 635 HOH HOH A . J 6 HOH 304 636 636 HOH HOH A . J 6 HOH 305 637 637 HOH HOH A . J 6 HOH 306 638 638 HOH HOH A . J 6 HOH 307 639 639 HOH HOH A . J 6 HOH 308 640 640 HOH HOH A . J 6 HOH 309 641 641 HOH HOH A . J 6 HOH 310 642 642 HOH HOH A . J 6 HOH 311 643 643 HOH HOH A . J 6 HOH 312 644 644 HOH HOH A . J 6 HOH 313 645 645 HOH HOH A . J 6 HOH 314 646 646 HOH HOH A . J 6 HOH 315 647 647 HOH HOH A . J 6 HOH 316 648 648 HOH HOH A . J 6 HOH 317 649 649 HOH HOH A . J 6 HOH 318 650 650 HOH HOH A . J 6 HOH 319 651 651 HOH HOH A . J 6 HOH 320 652 652 HOH HOH A . J 6 HOH 321 653 653 HOH HOH A . J 6 HOH 322 654 654 HOH HOH A . J 6 HOH 323 655 655 HOH HOH A . J 6 HOH 324 656 656 HOH HOH A . J 6 HOH 325 657 657 HOH HOH A . J 6 HOH 326 658 658 HOH HOH A . J 6 HOH 327 659 659 HOH HOH A . J 6 HOH 328 660 660 HOH HOH A . J 6 HOH 329 661 661 HOH HOH A . J 6 HOH 330 662 662 HOH HOH A . J 6 HOH 331 663 663 HOH HOH A . J 6 HOH 332 664 664 HOH HOH A . J 6 HOH 333 665 665 HOH HOH A . J 6 HOH 334 666 666 HOH HOH A . J 6 HOH 335 667 667 HOH HOH A . J 6 HOH 336 668 668 HOH HOH A . J 6 HOH 337 669 669 HOH HOH A . J 6 HOH 338 670 670 HOH HOH A . J 6 HOH 339 671 671 HOH HOH A . J 6 HOH 340 672 672 HOH HOH A . J 6 HOH 341 673 673 HOH HOH A . J 6 HOH 342 674 674 HOH HOH A . J 6 HOH 343 675 675 HOH HOH A . J 6 HOH 344 676 676 HOH HOH A . J 6 HOH 345 677 677 HOH HOH A . J 6 HOH 346 678 678 HOH HOH A . J 6 HOH 347 679 679 HOH HOH A . J 6 HOH 348 680 680 HOH HOH A . J 6 HOH 349 681 681 HOH HOH A . J 6 HOH 350 682 682 HOH HOH A . J 6 HOH 351 683 683 HOH HOH A . J 6 HOH 352 684 684 HOH HOH A . J 6 HOH 353 685 685 HOH HOH A . J 6 HOH 354 686 686 HOH HOH A . J 6 HOH 355 687 687 HOH HOH A . J 6 HOH 356 688 688 HOH HOH A . J 6 HOH 357 689 689 HOH HOH A . J 6 HOH 358 690 690 HOH HOH A . J 6 HOH 359 691 691 HOH HOH A . J 6 HOH 360 692 692 HOH HOH A . J 6 HOH 361 693 693 HOH HOH A . J 6 HOH 362 694 694 HOH HOH A . J 6 HOH 363 695 695 HOH HOH A . J 6 HOH 364 696 696 HOH HOH A . J 6 HOH 365 697 697 HOH HOH A . J 6 HOH 366 698 698 HOH HOH A . J 6 HOH 367 699 699 HOH HOH A . J 6 HOH 368 700 700 HOH HOH A . J 6 HOH 369 701 701 HOH HOH A . J 6 HOH 370 702 702 HOH HOH A . J 6 HOH 371 703 703 HOH HOH A . J 6 HOH 372 704 704 HOH HOH A . J 6 HOH 373 705 705 HOH HOH A . J 6 HOH 374 706 706 HOH HOH A . J 6 HOH 375 707 707 HOH HOH A . J 6 HOH 376 708 708 HOH HOH A . J 6 HOH 377 709 709 HOH HOH A . J 6 HOH 378 710 710 HOH HOH A . J 6 HOH 379 711 711 HOH HOH A . J 6 HOH 380 712 712 HOH HOH A . J 6 HOH 381 713 713 HOH HOH A . J 6 HOH 382 714 714 HOH HOH A . J 6 HOH 383 715 715 HOH HOH A . J 6 HOH 384 716 716 HOH HOH A . J 6 HOH 385 717 717 HOH HOH A . J 6 HOH 386 718 718 HOH HOH A . J 6 HOH 387 719 719 HOH HOH A . J 6 HOH 388 720 720 HOH HOH A . J 6 HOH 389 721 721 HOH HOH A . J 6 HOH 390 722 722 HOH HOH A . J 6 HOH 391 724 724 HOH HOH A . J 6 HOH 392 725 725 HOH HOH A . J 6 HOH 393 726 726 HOH HOH A . J 6 HOH 394 727 727 HOH HOH A . J 6 HOH 395 728 728 HOH HOH A . J 6 HOH 396 729 729 HOH HOH A . J 6 HOH 397 730 730 HOH HOH A . J 6 HOH 398 731 731 HOH HOH A . J 6 HOH 399 732 732 HOH HOH A . J 6 HOH 400 733 733 HOH HOH A . J 6 HOH 401 734 734 HOH HOH A . J 6 HOH 402 735 735 HOH HOH A . J 6 HOH 403 736 736 HOH HOH A . J 6 HOH 404 737 737 HOH HOH A . J 6 HOH 405 738 738 HOH HOH A . J 6 HOH 406 739 739 HOH HOH A . J 6 HOH 407 740 740 HOH HOH A . J 6 HOH 408 741 741 HOH HOH A . J 6 HOH 409 742 742 HOH HOH A . J 6 HOH 410 743 743 HOH HOH A . J 6 HOH 411 744 744 HOH HOH A . J 6 HOH 412 745 745 HOH HOH A . K 6 HOH 1 178 178 HOH HOH B . K 6 HOH 2 179 179 HOH HOH B . K 6 HOH 3 180 180 HOH HOH B . K 6 HOH 4 181 181 HOH HOH B . K 6 HOH 5 182 182 HOH HOH B . K 6 HOH 6 183 183 HOH HOH B . K 6 HOH 7 184 184 HOH HOH B . K 6 HOH 8 185 185 HOH HOH B . K 6 HOH 9 186 186 HOH HOH B . K 6 HOH 10 187 187 HOH HOH B . K 6 HOH 11 188 188 HOH HOH B . K 6 HOH 12 189 189 HOH HOH B . K 6 HOH 13 190 190 HOH HOH B . K 6 HOH 14 191 191 HOH HOH B . K 6 HOH 15 192 192 HOH HOH B . K 6 HOH 16 193 193 HOH HOH B . K 6 HOH 17 194 194 HOH HOH B . K 6 HOH 18 195 195 HOH HOH B . K 6 HOH 19 196 196 HOH HOH B . K 6 HOH 20 197 197 HOH HOH B . K 6 HOH 21 198 198 HOH HOH B . K 6 HOH 22 199 199 HOH HOH B . K 6 HOH 23 200 200 HOH HOH B . K 6 HOH 24 201 201 HOH HOH B . K 6 HOH 25 202 202 HOH HOH B . K 6 HOH 26 203 203 HOH HOH B . K 6 HOH 27 204 204 HOH HOH B . K 6 HOH 28 205 205 HOH HOH B . K 6 HOH 29 206 206 HOH HOH B . K 6 HOH 30 207 207 HOH HOH B . K 6 HOH 31 208 208 HOH HOH B . K 6 HOH 32 209 209 HOH HOH B . K 6 HOH 33 210 210 HOH HOH B . K 6 HOH 34 211 211 HOH HOH B . K 6 HOH 35 212 212 HOH HOH B . K 6 HOH 36 213 213 HOH HOH B . K 6 HOH 37 214 214 HOH HOH B . K 6 HOH 38 215 215 HOH HOH B . K 6 HOH 39 216 216 HOH HOH B . K 6 HOH 40 217 217 HOH HOH B . K 6 HOH 41 218 218 HOH HOH B . K 6 HOH 42 221 221 HOH HOH B . K 6 HOH 43 226 226 HOH HOH B . K 6 HOH 44 227 227 HOH HOH B . K 6 HOH 45 228 228 HOH HOH B . K 6 HOH 46 231 231 HOH HOH B . K 6 HOH 47 235 235 HOH HOH B . K 6 HOH 48 237 237 HOH HOH B . K 6 HOH 49 238 238 HOH HOH B . K 6 HOH 50 252 252 HOH HOH B . K 6 HOH 51 256 256 HOH HOH B . K 6 HOH 52 259 259 HOH HOH B . K 6 HOH 53 261 261 HOH HOH B . K 6 HOH 54 262 262 HOH HOH B . K 6 HOH 55 266 266 HOH HOH B . K 6 HOH 56 267 267 HOH HOH B . K 6 HOH 57 271 271 HOH HOH B . K 6 HOH 58 273 273 HOH HOH B . K 6 HOH 59 274 274 HOH HOH B . K 6 HOH 60 277 277 HOH HOH B . K 6 HOH 61 281 281 HOH HOH B . K 6 HOH 62 286 286 HOH HOH B . K 6 HOH 63 287 287 HOH HOH B . K 6 HOH 64 290 290 HOH HOH B . K 6 HOH 65 292 292 HOH HOH B . K 6 HOH 66 295 295 HOH HOH B . K 6 HOH 67 297 297 HOH HOH B . K 6 HOH 68 299 299 HOH HOH B . K 6 HOH 69 306 306 HOH HOH B . K 6 HOH 70 307 307 HOH HOH B . K 6 HOH 71 308 308 HOH HOH B . K 6 HOH 72 309 309 HOH HOH B . K 6 HOH 73 317 317 HOH HOH B . K 6 HOH 74 321 321 HOH HOH B . K 6 HOH 75 325 325 HOH HOH B . K 6 HOH 76 326 326 HOH HOH B . K 6 HOH 77 330 330 HOH HOH B . K 6 HOH 78 331 331 HOH HOH B . K 6 HOH 79 333 333 HOH HOH B . K 6 HOH 80 334 334 HOH HOH B . K 6 HOH 81 340 340 HOH HOH B . K 6 HOH 82 344 344 HOH HOH B . K 6 HOH 83 346 346 HOH HOH B . K 6 HOH 84 347 347 HOH HOH B . K 6 HOH 85 348 348 HOH HOH B . K 6 HOH 86 353 353 HOH HOH B . K 6 HOH 87 364 364 HOH HOH B . K 6 HOH 88 367 367 HOH HOH B . K 6 HOH 89 368 368 HOH HOH B . K 6 HOH 90 369 369 HOH HOH B . K 6 HOH 91 371 371 HOH HOH B . K 6 HOH 92 372 372 HOH HOH B . K 6 HOH 93 374 374 HOH HOH B . K 6 HOH 94 377 377 HOH HOH B . K 6 HOH 95 378 378 HOH HOH B . K 6 HOH 96 382 382 HOH HOH B . K 6 HOH 97 385 385 HOH HOH B . K 6 HOH 98 390 390 HOH HOH B . K 6 HOH 99 394 394 HOH HOH B . K 6 HOH 100 401 401 HOH HOH B . K 6 HOH 101 402 402 HOH HOH B . K 6 HOH 102 409 409 HOH HOH B . K 6 HOH 103 411 411 HOH HOH B . K 6 HOH 104 416 416 HOH HOH B . K 6 HOH 105 421 421 HOH HOH B . K 6 HOH 106 422 422 HOH HOH B . K 6 HOH 107 426 426 HOH HOH B . K 6 HOH 108 431 431 HOH HOH B . K 6 HOH 109 436 436 HOH HOH B . K 6 HOH 110 437 437 HOH HOH B . K 6 HOH 111 440 440 HOH HOH B . K 6 HOH 112 442 442 HOH HOH B . K 6 HOH 113 445 445 HOH HOH B . K 6 HOH 114 447 447 HOH HOH B . K 6 HOH 115 454 454 HOH HOH B . K 6 HOH 116 457 457 HOH HOH B . K 6 HOH 117 461 461 HOH HOH B . K 6 HOH 118 463 463 HOH HOH B . K 6 HOH 119 464 464 HOH HOH B . K 6 HOH 120 465 465 HOH HOH B . K 6 HOH 121 469 469 HOH HOH B . K 6 HOH 122 475 475 HOH HOH B . K 6 HOH 123 476 476 HOH HOH B . K 6 HOH 124 477 477 HOH HOH B . K 6 HOH 125 479 479 HOH HOH B . K 6 HOH 126 487 487 HOH HOH B . K 6 HOH 127 494 494 HOH HOH B . K 6 HOH 128 499 499 HOH HOH B . K 6 HOH 129 500 500 HOH HOH B . K 6 HOH 130 502 502 HOH HOH B . K 6 HOH 131 504 504 HOH HOH B . K 6 HOH 132 508 508 HOH HOH B . K 6 HOH 133 512 512 HOH HOH B . K 6 HOH 134 514 514 HOH HOH B . K 6 HOH 135 523 523 HOH HOH B . K 6 HOH 136 525 525 HOH HOH B . K 6 HOH 137 526 526 HOH HOH B . K 6 HOH 138 532 532 HOH HOH B . K 6 HOH 139 533 533 HOH HOH B . K 6 HOH 140 538 538 HOH HOH B . K 6 HOH 141 541 541 HOH HOH B . K 6 HOH 142 545 545 HOH HOH B . K 6 HOH 143 546 546 HOH HOH B . K 6 HOH 144 547 547 HOH HOH B . K 6 HOH 145 557 557 HOH HOH B . K 6 HOH 146 559 559 HOH HOH B . K 6 HOH 147 562 562 HOH HOH B . K 6 HOH 148 563 563 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 25 A ASN 33 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 154 B ASN 154 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 166 A ASN 169 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K # 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)' 33160 ? 1 MORE -113 ? 1 'SSA (A^2)' 62320 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_565 -y,x-y+1,z -0.5000000000 -0.8660254038 0.0000000000 -35.1260000000 0.8660254038 -0.5000000000 0.0000000000 60.8400166667 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_455 -x+y-1,-x,z -0.5000000000 0.8660254038 0.0000000000 -70.2520000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 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 2010-01-19 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2017-11-01 # _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' Advisory 2 2 'Structure model' 'Refinement description' 3 2 'Structure model' 'Version format compliance' 4 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined -20.1006 6.7933 35.5817 -0.0708 -0.0574 0.0201 0.0030 -0.0013 0.0128 0.3215 0.3596 0.7065 -0.0247 -0.0600 0.1303 0.0181 -0.0096 -0.0085 0.0520 0.0160 0.0042 -0.0456 0.0461 0.0033 'X-RAY DIFFRACTION' 2 ? refined -25.7591 12.8356 -16.6588 0.0530 0.0620 -0.1352 0.0492 0.0102 -0.0076 0.3054 0.0109 6.1051 0.0420 -0.9822 -0.0129 -0.0626 -0.0563 0.1190 0.0300 -0.0545 0.0095 -0.0107 -0.0103 0.2520 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 9 A 326 ? . . . . ? 'X-RAY DIFFRACTION' 2 2 B 1 B 172 ? . . . . ? # _pdbx_phasing_MR.entry_id 3KU3 _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details 'Phaser MODE: MR_AUTO' _pdbx_phasing_MR.R_factor ? _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 2.500 _pdbx_phasing_MR.d_res_low_rotation 30.210 _pdbx_phasing_MR.d_res_high_translation 2.500 _pdbx_phasing_MR.d_res_low_translation 30.210 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 DENZO . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data reduction' http://www.hkl-xray.com/ ? ? 2 SCALEPACK . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 3 PHASER 1.3.3 'Fri Oct 20 12:51:01 2006' program 'Randy J. Read' cimr-phaser@lists.cam.ac.uk phasing http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 4 REFMAC . ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 5 PDB_EXTRACT 3.005 'June 11, 2008' package PDB help@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 6 Blu-Ice . ? ? ? ? 'data collection' ? ? ? 7 HKL-2000 . ? ? ? ? 'data reduction' ? ? ? 8 HKL-2000 . ? ? ? ? 'data scaling' ? ? ? # 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 GLN A 196 ? ? 67.30 -47.75 2 1 THR A 206 ? ? -122.79 -164.40 3 1 ASN A 250 ? ? 82.71 6.69 4 1 SER A 265 ? ? -146.51 -145.38 5 1 PRO A 324 ? ? -28.76 130.81 6 1 ALA B 5 ? ? -92.21 -62.53 7 1 MET B 59 ? ? -114.28 51.37 8 1 GLN B 62 ? ? -47.04 150.08 9 1 ARG B 127 ? ? 51.50 -136.87 10 1 ARG B 127 ? ? 49.75 -135.76 # 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 GLU 327 ? A GLU 325 2 1 Y 1 A SER 328 ? A SER 326 3 1 Y 1 A ARG 329 ? A ARG 327 4 1 Y 1 B ILE 173 ? B ILE 173 5 1 Y 1 B LYS 174 ? B LYS 174 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 1,2-ETHANEDIOL EDO 5 'DI(HYDROXYETHYL)ETHER' PEG 6 water HOH #