data_3KU6 # _entry.id 3KU6 # _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 3KU6 RCSB RCSB056451 WWPDB D_1000056451 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3KU3 . unspecified PDB 3KU5 . unspecified # _pdbx_database_status.entry_id 3KU6 _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 3KU6 _cell.length_a 70.484 _cell.length_b 70.484 _cell.length_c 236.844 _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 3KU6 _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' 36489.254 1 ? Q226L '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 3 ? ? ? ? 4 non-polymer syn 1,2-ETHANEDIOL 62.068 1 ? ? ? ? 5 non-polymer syn 'DI(HYDROXYETHYL)ETHER' 106.120 1 ? ? ? ? 6 water nat water 18.015 580 ? ? ? ? # 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 AKGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGLGGRMEFSWTLLDMWDTI NFESTGNLIAPEYGFKISKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPKYVKSEKLVLATGLRN VPQIESR ; ;PGDQICIGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGDCSIAGWLLGNPECDRLLSVPEWSY IMEKENPRDGLCYPGSFNDYEELKHLLSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVWLTEKGSNYPV AKGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGLGGRMEFSWTLLDMWDTI 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 LEU 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/305/57 ? ? ? ? 'Influenza A virus' 387161 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? Hi5 ? ? ? ? ? ? ? Baculovirus ? ? ? pFASTbac-HT ? ? 2 1 sample ? ? ? ? ? 'HA, hemagglutinin' ? A/Japan/305/57 ? ? ? ? '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 3KU6 A 2 ? 327 ? C7S226 15 ? 340 ? 10 329 2 2 3KU6 B 1 ? 174 ? C7S226 341 ? 514 ? 1 174 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3KU6 PRO A 1 ? UNP C7S226 ? ? 'EXPRESSION TAG' 9 1 1 3KU6 LEU A 223 ? UNP C7S226 GLN 236 ENGINEERED 226 2 # 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 3KU6 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.00 _exptl_crystal.density_percent_sol 58.98 _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 7.8 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '30% PEG 3000, 0.1M Tris, pH 7.8, 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 'ADSC QUANTUM 315r' _diffrn_detector.pdbx_collection_date 2008-11-01 _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 'Single crystal, cylindrically bent, Si(220)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97650 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ALS BEAMLINE 5.0.3' _diffrn_source.pdbx_synchrotron_site ALS _diffrn_source.pdbx_synchrotron_beamline 5.0.3 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.97650 # _reflns.entry_id 3KU6 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 45 _reflns.d_resolution_high 1.75 _reflns.number_obs 66916 _reflns.number_all ? _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs 0.071 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 16.3 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 5.6 _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 # _reflns_shell.d_res_high 1.75 _reflns_shell.d_res_low 1.81 _reflns_shell.percent_possible_all 99.6 _reflns_shell.Rmerge_I_obs 0.330 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 3.5 _reflns_shell.pdbx_redundancy 4.9 _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 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3KU6 _refine.ls_number_reflns_obs 63446 _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 45.00 _refine.ls_d_res_high 1.75 _refine.ls_percent_reflns_obs 99.87 _refine.ls_R_factor_obs 0.19253 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.19085 _refine.ls_R_factor_R_free 0.22355 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 3385 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 0.33 _refine.occupancy_max 1.00 _refine.correlation_coeff_Fo_to_Fc 0.959 _refine.correlation_coeff_Fo_to_Fc_free 0.943 _refine.B_iso_mean 30.240 _refine.aniso_B[1][1] 0.61 _refine.aniso_B[2][2] 0.61 _refine.aniso_B[3][3] -0.92 _refine.aniso_B[1][2] 0.31 _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 0.108 _refine.pdbx_overall_ESU_R_Free 0.107 _refine.overall_SU_ML 0.072 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 4.206 _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 3912 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 53 _refine_hist.number_atoms_solvent 580 _refine_hist.number_atoms_total 4545 _refine_hist.d_res_high 1.75 _refine_hist.d_res_low 45.00 # 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 0.016 0.021 ? 4073 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.493 1.960 ? 5512 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 5.879 5.000 ? 496 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 32.348 25.000 ? 196 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 14.043 15.000 ? 701 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 21.959 15.000 ? 19 'X-RAY DIFFRACTION' ? r_chiral_restr 0.103 0.200 ? 591 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.020 ? 3082 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.205 0.200 ? 1870 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.307 0.200 ? 2740 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.138 0.200 ? 472 '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 0.180 0.200 ? 86 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.172 0.200 ? 52 '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 0.995 1.500 ? 2530 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.506 2.000 ? 3949 'X-RAY DIFFRACTION' ? r_scbond_it 2.358 3.000 ? 1775 'X-RAY DIFFRACTION' ? r_scangle_it 3.709 4.500 ? 1561 '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 1.749 _refine_ls_shell.d_res_low 1.794 _refine_ls_shell.number_reflns_R_work 4656 _refine_ls_shell.R_factor_R_work 0.251 _refine_ls_shell.percent_reflns_obs 98.67 _refine_ls_shell.R_factor_R_free 0.306 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 256 _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 3KU6 _struct.title 'Crystal structure of a H2N2 influenza virus hemagglutinin, 226L/228G' _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 3KU6 _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 5 ? H N N 6 ? I 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 ? ASN B 171 ? ASP B 158 ASN B 171 1 ? 14 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 6 SG ? ? ? 1_555 B CYS 137 SG ? ? A CYS 14 B CYS 137 1_555 ? ? ? ? ? ? ? 2.074 ? disulf2 disulf ? ? A CYS 44 SG ? ? ? 1_555 A CYS 275 SG ? ? A CYS 52 A CYS 277 1_555 ? ? ? ? ? ? ? 2.087 ? disulf3 disulf ? ? A CYS 57 SG ? ? ? 1_555 A CYS 69 SG ? ? A CYS 64 A CYS 76 1_555 ? ? ? ? ? ? ? 2.091 ? disulf4 disulf ? ? A CYS 92 SG ? ? ? 1_555 A CYS 136 SG ? ? A CYS 97 A CYS 139 1_555 ? ? ? ? ? ? ? 2.221 ? disulf5 disulf ? ? A CYS 279 SG ? ? ? 1_555 A CYS 303 SG ? ? A CYS 281 A CYS 305 1_555 ? ? ? ? ? ? ? 2.082 ? disulf6 disulf ? ? B CYS 144 SG ? ? ? 1_555 B CYS 148 SG ? ? B CYS 144 B CYS 148 1_555 ? ? ? ? ? ? ? 2.051 ? covale1 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 330 A NAG 331 1_555 ? ? ? ? ? ? ? 1.449 ? covale2 covale ? ? A ASN 25 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 33 A NAG 332 1_555 ? ? ? ? ? ? ? 1.450 ? covale3 covale ? ? A ASN 166 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 169 A NAG 330 1_555 ? ? ? ? ? ? ? 1.453 ? # 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 GLY B 31 ? ALA B 36 ? GLY B 31 ALA B 36 A 2 TYR B 22 ? ASN B 28 ? TYR B 22 ASN B 28 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 ? ILE A 286 ? GLY A 286 ILE A 288 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 LEU A 234 ? O LEU A 237 N MET A 173 ? N MET A 176 G 3 4 N LEU A 174 ? N LEU A 177 O PHE A 255 ? O PHE A 258 G 4 5 O GLY A 254 ? O GLY A 257 N VAL A 116 ? N VAL A 118 H 1 2 N SER A 96 ? N SER A 101 O PHE A 229 ? O PHE A 232 H 2 3 O LEU A 234 ? O LEU A 237 N MET A 173 ? N MET A 176 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 ALA A 161 ? N ALA A 164 O SER A 244 ? O SER A 247 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 ILE A 286 ? O ILE A 288 N CYS A 279 ? N CYS A 281 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 ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 330' AC2 Software ? ? ? ? 2 '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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE PEG B 175' # 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 9 ASN A 166 ? ASN A 169 . ? 1_555 ? 2 AC1 9 THR A 168 ? THR A 171 . ? 1_555 ? 3 AC1 9 TRP A 237 ? TRP A 240 . ? 1_555 ? 4 AC1 9 NAG D . ? NAG A 331 . ? 1_555 ? 5 AC1 9 HOH H . ? HOH A 402 . ? 1_555 ? 6 AC1 9 HOH H . ? HOH A 428 . ? 1_555 ? 7 AC1 9 HOH H . ? HOH A 471 . ? 1_555 ? 8 AC1 9 HOH H . ? HOH A 587 . ? 1_555 ? 9 AC1 9 HOH H . ? HOH A 744 . ? 1_555 ? 10 AC2 2 TRP A 237 ? TRP A 240 . ? 1_555 ? 11 AC2 2 NAG C . ? NAG A 330 . ? 1_555 ? 12 AC3 2 LYS A 17 ? LYS A 25 . ? 1_555 ? 13 AC3 2 ASN A 25 ? ASN A 33 . ? 1_555 ? 14 AC4 7 LEU A 119 ? LEU A 121 . ? 1_555 ? 15 AC4 7 PRO A 120 ? PRO A 122 . ? 1_555 ? 16 AC4 7 ARG A 123 ? ARG A 126 . ? 1_555 ? 17 AC4 7 TRP A 124 ? TRP A 127 . ? 1_555 ? 18 AC4 7 HOH H . ? HOH A 375 . ? 1_555 ? 19 AC4 7 HOH H . ? HOH A 628 . ? 1_555 ? 20 AC4 7 HOH H . ? HOH A 674 . ? 1_555 ? 21 AC5 3 TRP B 14 ? TRP B 14 . ? 1_555 ? 22 AC5 3 HIS B 25 ? HIS B 25 . ? 1_555 ? 23 AC5 3 ASN B 135 ? ASN B 135 . ? 1_555 ? # _atom_sites.entry_id 3KU6 _atom_sites.fract_transf_matrix[1][1] 0.014188 _atom_sites.fract_transf_matrix[1][2] 0.008191 _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] 0.016382 _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 ? -12.026 -26.722 48.440 1.00 26.42 ? 9 PRO A N 1 ATOM 2 C CA . PRO A 1 1 ? -11.701 -26.026 47.188 1.00 26.38 ? 9 PRO A CA 1 ATOM 3 C C . PRO A 1 1 ? -10.549 -25.018 47.358 1.00 26.05 ? 9 PRO A C 1 ATOM 4 O O . PRO A 1 1 ? -10.548 -24.219 48.307 1.00 26.02 ? 9 PRO A O 1 ATOM 5 C CB . PRO A 1 1 ? -13.012 -25.310 46.831 1.00 26.57 ? 9 PRO A CB 1 ATOM 6 C CG . PRO A 1 1 ? -13.747 -25.146 48.141 1.00 26.52 ? 9 PRO A CG 1 ATOM 7 C CD . PRO A 1 1 ? -13.147 -26.092 49.163 1.00 26.53 ? 9 PRO A CD 1 ATOM 8 N N . GLY A 1 2 ? -9.574 -25.059 46.436 1.00 25.53 ? 10 GLY A N 1 ATOM 9 C CA . GLY A 1 2 ? -8.401 -24.188 46.502 1.00 24.58 ? 10 GLY A CA 1 ATOM 10 C C . GLY A 1 2 ? -8.070 -23.487 45.161 1.00 23.64 ? 10 GLY A C 1 ATOM 11 O O . GLY A 1 2 ? -8.789 -23.688 44.191 1.00 23.83 ? 10 GLY A O 1 ATOM 12 N N . ASP A 1 3 ? -6.975 -22.647 45.060 1.00 22.76 ? 11 ASP A N 1 ATOM 13 C CA . ASP A 1 3 ? -6.465 -21.996 43.850 1.00 22.29 ? 11 ASP A CA 1 ATOM 14 C C . ASP A 1 3 ? -6.261 -23.055 42.785 1.00 21.59 ? 11 ASP A C 1 ATOM 15 O O . ASP A 1 3 ? -5.906 -24.198 43.085 1.00 20.95 ? 11 ASP A O 1 ATOM 16 C CB . ASP A 1 3 ? -5.142 -21.256 44.081 1.00 21.87 ? 11 ASP A CB 1 ATOM 17 C CG . ASP A 1 3 ? -5.300 -20.081 45.138 1.00 22.90 ? 11 ASP A CG 1 ATOM 18 O OD1 . ASP A 1 3 ? -6.449 -19.685 45.444 1.00 21.77 ? 11 ASP A OD1 1 ATOM 19 O OD2 . ASP A 1 3 ? -4.252 -19.544 45.679 1.00 20.82 ? 11 ASP A OD2 1 ATOM 20 N N . GLN A 1 4 ? -6.521 -22.667 41.516 1.00 21.42 ? 12 GLN A N 1 ATOM 21 C CA . GLN A 1 4 ? -6.448 -23.561 40.326 1.00 21.31 ? 12 GLN A CA 1 ATOM 22 C C . GLN A 1 4 ? -5.682 -22.955 39.109 1.00 20.68 ? 12 GLN A C 1 ATOM 23 O O . GLN A 1 4 ? -5.655 -21.727 38.839 1.00 20.51 ? 12 GLN A O 1 ATOM 24 C CB . GLN A 1 4 ? -7.847 -23.935 39.876 1.00 21.61 ? 12 GLN A CB 1 ATOM 25 C CG . GLN A 1 4 ? -8.490 -25.119 40.722 1.00 23.44 ? 12 GLN A CG 1 ATOM 26 C CD . GLN A 1 4 ? -9.799 -25.557 40.009 1.00 25.26 ? 12 GLN A CD 1 ATOM 27 O OE1 . GLN A 1 4 ? -9.943 -25.512 38.771 1.00 25.77 ? 12 GLN A OE1 1 ATOM 28 N NE2 . GLN A 1 4 ? -10.766 -25.989 40.801 1.00 25.79 ? 12 GLN A NE2 1 ATOM 29 N N . ILE A 1 5 ? -5.051 -23.838 38.415 1.00 20.30 ? 13 ILE A N 1 ATOM 30 C CA . ILE A 1 5 ? -4.581 -23.519 37.061 1.00 19.48 ? 13 ILE A CA 1 ATOM 31 C C . ILE A 1 5 ? -5.087 -24.610 36.165 1.00 19.36 ? 13 ILE A C 1 ATOM 32 O O . ILE A 1 5 ? -5.095 -25.798 36.531 1.00 18.31 ? 13 ILE A O 1 ATOM 33 C CB . ILE A 1 5 ? -3.029 -23.364 36.899 1.00 19.72 ? 13 ILE A CB 1 ATOM 34 C CG1 . ILE A 1 5 ? -2.653 -22.733 35.593 1.00 18.94 ? 13 ILE A CG1 1 ATOM 35 C CG2 . ILE A 1 5 ? -2.292 -24.702 37.137 1.00 19.36 ? 13 ILE A CG2 1 ATOM 36 C CD1 . ILE A 1 5 ? -1.210 -22.285 35.434 1.00 19.22 ? 13 ILE A CD1 1 ATOM 37 N N . CYS A 1 6 ? -5.554 -24.171 34.976 1.00 18.77 ? 14 CYS A N 1 ATOM 38 C CA . CYS A 1 6 ? -6.169 -25.055 33.958 1.00 19.29 ? 14 CYS A CA 1 ATOM 39 C C . CYS A 1 6 ? -5.461 -24.925 32.637 1.00 18.28 ? 14 CYS A C 1 ATOM 40 O O . CYS A 1 6 ? -5.010 -23.841 32.254 1.00 18.52 ? 14 CYS A O 1 ATOM 41 C CB . CYS A 1 6 ? -7.679 -24.762 33.785 1.00 19.56 ? 14 CYS A CB 1 ATOM 42 S SG . CYS A 1 6 ? -8.697 -24.927 35.330 1.00 23.20 ? 14 CYS A SG 1 ATOM 43 N N . ILE A 1 7 ? -5.358 -26.045 31.941 1.00 18.31 ? 15 ILE A N 1 ATOM 44 C CA . ILE A 1 7 ? -4.793 -26.085 30.598 1.00 16.63 ? 15 ILE A CA 1 ATOM 45 C C . ILE A 1 7 ? -5.925 -26.233 29.605 1.00 17.17 ? 15 ILE A C 1 ATOM 46 O O . ILE A 1 7 ? -6.895 -26.953 29.866 1.00 16.80 ? 15 ILE A O 1 ATOM 47 C CB . ILE A 1 7 ? -3.832 -27.310 30.397 1.00 17.12 ? 15 ILE A CB 1 ATOM 48 C CG1 . ILE A 1 7 ? -2.634 -27.286 31.456 1.00 16.65 ? 15 ILE A CG1 1 ATOM 49 C CG2 . ILE A 1 7 ? -3.311 -27.400 28.950 1.00 14.74 ? 15 ILE A CG2 1 ATOM 50 C CD1 . ILE A 1 7 ? -1.743 -26.055 31.345 1.00 16.43 ? 15 ILE A CD1 1 ATOM 51 N N . GLY A 1 8 ? -5.796 -25.539 28.484 1.00 15.91 ? 16 GLY A N 1 ATOM 52 C CA . GLY A 1 8 ? -6.840 -25.498 27.430 1.00 17.11 ? 16 GLY A CA 1 ATOM 53 C C . GLY A 1 8 ? -6.418 -24.968 26.066 1.00 16.41 ? 16 GLY A C 1 ATOM 54 O O . GLY A 1 8 ? -5.229 -24.675 25.835 1.00 17.59 ? 16 GLY A O 1 ATOM 55 N N . TYR A 1 9 ? -7.389 -24.842 25.141 1.00 16.21 ? 17 TYR A N 1 ATOM 56 C CA . TYR A 1 9 ? -7.150 -24.466 23.750 1.00 15.75 ? 17 TYR A CA 1 ATOM 57 C C . TYR A 1 9 ? -8.154 -23.435 23.225 1.00 16.24 ? 17 TYR A C 1 ATOM 58 O O . TYR A 1 9 ? -9.260 -23.303 23.763 1.00 16.44 ? 17 TYR A O 1 ATOM 59 C CB . TYR A 1 9 ? -7.184 -25.699 22.816 1.00 14.40 ? 17 TYR A CB 1 ATOM 60 C CG . TYR A 1 9 ? -8.369 -26.619 23.048 1.00 11.61 ? 17 TYR A CG 1 ATOM 61 C CD1 . TYR A 1 9 ? -9.556 -26.467 22.321 1.00 11.17 ? 17 TYR A CD1 1 ATOM 62 C CD2 . TYR A 1 9 ? -8.293 -27.639 23.971 1.00 12.04 ? 17 TYR A CD2 1 ATOM 63 C CE1 . TYR A 1 9 ? -10.640 -27.318 22.537 1.00 12.05 ? 17 TYR A CE1 1 ATOM 64 C CE2 . TYR A 1 9 ? -9.371 -28.491 24.216 1.00 13.02 ? 17 TYR A CE2 1 ATOM 65 C CZ . TYR A 1 9 ? -10.543 -28.323 23.466 1.00 10.80 ? 17 TYR A CZ 1 ATOM 66 O OH . TYR A 1 9 ? -11.590 -29.182 23.726 1.00 13.37 ? 17 TYR A OH 1 ATOM 67 N N . HIS A 1 10 ? -7.733 -22.738 22.176 1.00 16.79 ? 18 HIS A N 1 ATOM 68 C CA . HIS A 1 10 ? -8.481 -21.679 21.480 1.00 18.14 ? 18 HIS A CA 1 ATOM 69 C C . HIS A 1 10 ? -9.785 -22.191 20.879 1.00 18.73 ? 18 HIS A C 1 ATOM 70 O O . HIS A 1 10 ? -9.874 -23.323 20.389 1.00 18.88 ? 18 HIS A O 1 ATOM 71 C CB . HIS A 1 10 ? -7.584 -21.082 20.392 1.00 18.10 ? 18 HIS A CB 1 ATOM 72 C CG . HIS A 1 10 ? -8.202 -19.972 19.601 1.00 19.67 ? 18 HIS A CG 1 ATOM 73 N ND1 . HIS A 1 10 ? -8.550 -18.757 20.156 1.00 21.08 ? 18 HIS A ND1 1 ATOM 74 C CD2 . HIS A 1 10 ? -8.493 -19.882 18.282 1.00 20.95 ? 18 HIS A CD2 1 ATOM 75 C CE1 . HIS A 1 10 ? -9.042 -17.973 19.211 1.00 22.00 ? 18 HIS A CE1 1 ATOM 76 N NE2 . HIS A 1 10 ? -9.016 -18.630 18.064 1.00 21.11 ? 18 HIS A NE2 1 ATOM 77 N N . ALA A 1 11 ? -10.814 -21.361 20.969 1.00 19.18 ? 19 ALA A N 1 ATOM 78 C CA . ALA A 1 11 ? -11.995 -21.536 20.150 1.00 19.82 ? 19 ALA A CA 1 ATOM 79 C C . ALA A 1 11 ? -12.431 -20.157 19.703 1.00 20.65 ? 19 ALA A C 1 ATOM 80 O O . ALA A 1 11 ? -12.037 -19.145 20.298 1.00 20.39 ? 19 ALA A O 1 ATOM 81 C CB . ALA A 1 11 ? -13.090 -22.245 20.915 1.00 19.68 ? 19 ALA A CB 1 ATOM 82 N N . ASN A 1 12 ? -13.225 -20.118 18.643 1.00 21.33 ? 20 ASN A N 1 ATOM 83 C CA . ASN A 1 12 ? -13.665 -18.860 18.064 1.00 22.68 ? 20 ASN A CA 1 ATOM 84 C C . ASN A 1 12 ? -14.988 -19.024 17.340 1.00 23.97 ? 20 ASN A C 1 ATOM 85 O O . ASN A 1 12 ? -15.680 -20.029 17.524 1.00 24.21 ? 20 ASN A O 1 ATOM 86 C CB . ASN A 1 12 ? -12.582 -18.262 17.147 1.00 21.80 ? 20 ASN A CB 1 ATOM 87 C CG . ASN A 1 12 ? -12.266 -19.144 15.935 1.00 22.16 ? 20 ASN A CG 1 ATOM 88 O OD1 . ASN A 1 12 ? -13.049 -20.018 15.555 1.00 20.70 ? 20 ASN A OD1 1 ATOM 89 N ND2 . ASN A 1 12 ? -11.118 -18.910 15.331 1.00 20.62 ? 20 ASN A ND2 1 ATOM 90 N N . ASN A 1 13 ? -15.332 -18.035 16.517 1.00 25.95 ? 21 ASN A N 1 ATOM 91 C CA . ASN A 1 13 ? -16.605 -18.016 15.799 1.00 27.76 ? 21 ASN A CA 1 ATOM 92 C C . ASN A 1 13 ? -16.550 -18.622 14.390 1.00 28.08 ? 21 ASN A C 1 ATOM 93 O O . ASN A 1 13 ? -17.501 -18.478 13.611 1.00 28.49 ? 21 ASN A O 1 ATOM 94 C CB . ASN A 1 13 ? -17.149 -16.576 15.734 1.00 28.46 ? 21 ASN A CB 1 ATOM 95 C CG . ASN A 1 13 ? -16.210 -15.605 15.010 1.00 31.63 ? 21 ASN A CG 1 ATOM 96 O OD1 . ASN A 1 13 ? -15.367 -16.007 14.185 1.00 35.92 ? 21 ASN A OD1 1 ATOM 97 N ND2 . ASN A 1 13 ? -16.383 -14.308 15.285 1.00 33.63 ? 21 ASN A ND2 1 ATOM 98 N N . SER A 1 14 ? -15.438 -19.279 14.057 1.00 28.13 ? 22 SER A N 1 ATOM 99 C CA . SER A 1 14 ? -15.234 -19.795 12.700 1.00 28.08 ? 22 SER A CA 1 ATOM 100 C C . SER A 1 14 ? -16.253 -20.885 12.393 1.00 28.32 ? 22 SER A C 1 ATOM 101 O O . SER A 1 14 ? -16.563 -21.706 13.252 1.00 27.95 ? 22 SER A O 1 ATOM 102 C CB . SER A 1 14 ? -13.807 -20.332 12.527 1.00 28.33 ? 22 SER A CB 1 ATOM 103 O OG . SER A 1 14 ? -13.629 -20.947 11.248 1.00 26.37 ? 22 SER A OG 1 ATOM 104 N N . THR A 1 15 ? -16.786 -20.864 11.168 1.00 29.14 ? 23 THR A N 1 ATOM 105 C CA . THR A 1 15 ? -17.653 -21.940 10.684 1.00 29.41 ? 23 THR A CA 1 ATOM 106 C C . THR A 1 15 ? -17.006 -22.629 9.480 1.00 29.63 ? 23 THR A C 1 ATOM 107 O O . THR A 1 15 ? -17.666 -23.378 8.757 1.00 29.50 ? 23 THR A O 1 ATOM 108 C CB . THR A 1 15 ? -19.059 -21.424 10.288 1.00 29.94 ? 23 THR A CB 1 ATOM 109 O OG1 . THR A 1 15 ? -18.931 -20.436 9.257 1.00 29.40 ? 23 THR A OG1 1 ATOM 110 C CG2 . THR A 1 15 ? -19.786 -20.831 11.499 1.00 29.56 ? 23 THR A CG2 1 ATOM 111 N N . GLU A 1 16 ? -15.716 -22.363 9.277 1.00 29.77 ? 24 GLU A N 1 ATOM 112 C CA . GLU A 1 16 ? -14.935 -22.974 8.196 1.00 30.15 ? 24 GLU A CA 1 ATOM 113 C C . GLU A 1 16 ? -14.875 -24.480 8.386 1.00 29.39 ? 24 GLU A C 1 ATOM 114 O O . GLU A 1 16 ? -14.577 -24.961 9.480 1.00 29.03 ? 24 GLU A O 1 ATOM 115 C CB . GLU A 1 16 ? -13.513 -22.396 8.163 1.00 30.39 ? 24 GLU A CB 1 ATOM 116 C CG . GLU A 1 16 ? -13.474 -20.877 8.027 1.00 33.98 ? 24 GLU A CG 1 ATOM 117 C CD . GLU A 1 16 ? -14.117 -20.392 6.731 1.00 38.29 ? 24 GLU A CD 1 ATOM 118 O OE1 . GLU A 1 16 ? -13.613 -20.778 5.655 1.00 40.25 ? 24 GLU A OE1 1 ATOM 119 O OE2 . GLU A 1 16 ? -15.116 -19.627 6.786 1.00 40.40 ? 24 GLU A OE2 1 ATOM 120 N N . LYS A 1 17 ? -15.168 -25.220 7.320 1.00 28.50 ? 25 LYS A N 1 ATOM 121 C CA . LYS A 1 17 ? -15.156 -26.674 7.389 1.00 28.05 ? 25 LYS A CA 1 ATOM 122 C C . LYS A 1 17 ? -14.035 -27.302 6.572 1.00 26.41 ? 25 LYS A C 1 ATOM 123 O O . LYS A 1 17 ? -13.612 -26.747 5.550 1.00 26.75 ? 25 LYS A O 1 ATOM 124 C CB . LYS A 1 17 ? -16.518 -27.270 6.999 1.00 28.31 ? 25 LYS A CB 1 ATOM 125 C CG . LYS A 1 17 ? -17.557 -27.213 8.120 1.00 30.96 ? 25 LYS A CG 1 ATOM 126 C CD . LYS A 1 17 ? -18.636 -26.186 7.794 1.00 34.43 ? 25 LYS A CD 1 ATOM 127 C CE . LYS A 1 17 ? -19.524 -25.873 8.998 1.00 36.16 ? 25 LYS A CE 1 ATOM 128 N NZ . LYS A 1 17 ? -19.849 -27.088 9.793 1.00 37.49 ? 25 LYS A NZ 1 ATOM 129 N N . VAL A 1 18 ? -13.555 -28.449 7.050 1.00 25.64 ? 26 VAL A N 1 ATOM 130 C CA . VAL A 1 18 ? -12.563 -29.271 6.342 1.00 23.98 ? 26 VAL A CA 1 ATOM 131 C C . VAL A 1 18 ? -12.946 -30.743 6.414 1.00 24.13 ? 26 VAL A C 1 ATOM 132 O O . VAL A 1 18 ? -13.698 -31.154 7.296 1.00 24.51 ? 26 VAL A O 1 ATOM 133 C CB . VAL A 1 18 ? -11.112 -29.099 6.889 1.00 23.51 ? 26 VAL A CB 1 ATOM 134 C CG1 . VAL A 1 18 ? -10.660 -27.651 6.790 1.00 22.14 ? 26 VAL A CG1 1 ATOM 135 C CG2 . VAL A 1 18 ? -10.974 -29.636 8.339 1.00 22.77 ? 26 VAL A CG2 1 ATOM 136 N N . ASP A 1 19 ? -12.413 -31.543 5.493 1.00 23.57 ? 27 ASP A N 1 ATOM 137 C CA . ASP A 1 19 ? -12.634 -32.983 5.561 1.00 23.53 ? 27 ASP A CA 1 ATOM 138 C C . ASP A 1 19 ? -11.342 -33.682 5.922 1.00 23.12 ? 27 ASP A C 1 ATOM 139 O O . ASP A 1 19 ? -10.260 -33.176 5.633 1.00 23.02 ? 27 ASP A O 1 ATOM 140 C CB . ASP A 1 19 ? -13.137 -33.539 4.223 1.00 24.03 ? 27 ASP A CB 1 ATOM 141 C CG . ASP A 1 19 ? -14.487 -32.967 3.802 1.00 25.57 ? 27 ASP A CG 1 ATOM 142 O OD1 . ASP A 1 19 ? -15.324 -32.635 4.669 1.00 26.93 ? 27 ASP A OD1 1 ATOM 143 O OD2 . ASP A 1 19 ? -14.710 -32.868 2.576 1.00 29.68 ? 27 ASP A OD2 1 ATOM 144 N N . THR A 1 20 ? -11.466 -34.847 6.539 1.00 23.29 ? 28 THR A N 1 ATOM 145 C CA . THR A 1 20 ? -10.334 -35.729 6.759 1.00 24.68 ? 28 THR A CA 1 ATOM 146 C C . THR A 1 20 ? -10.719 -37.109 6.229 1.00 25.77 ? 28 THR A C 1 ATOM 147 O O . THR A 1 20 ? -11.821 -37.289 5.715 1.00 26.64 ? 28 THR A O 1 ATOM 148 C CB . THR A 1 20 ? -9.946 -35.813 8.273 1.00 24.02 ? 28 THR A CB 1 ATOM 149 O OG1 . THR A 1 20 ? -10.978 -36.483 9.005 1.00 24.31 ? 28 THR A OG1 1 ATOM 150 C CG2 . THR A 1 20 ? -9.733 -34.425 8.865 1.00 24.79 ? 28 THR A CG2 1 ATOM 151 N N . ILE A 1 21 ? -9.825 -38.079 6.358 1.00 26.97 ? 29 ILE A N 1 ATOM 152 C CA . ILE A 1 21 ? -10.149 -39.472 6.021 1.00 28.12 ? 29 ILE A CA 1 ATOM 153 C C . ILE A 1 21 ? -11.214 -40.056 6.967 1.00 28.32 ? 29 ILE A C 1 ATOM 154 O O . ILE A 1 21 ? -12.124 -40.768 6.545 1.00 27.96 ? 29 ILE A O 1 ATOM 155 C CB . ILE A 1 21 ? -8.868 -40.350 6.040 1.00 28.43 ? 29 ILE A CB 1 ATOM 156 C CG1 . ILE A 1 21 ? -7.855 -39.880 4.981 1.00 29.23 ? 29 ILE A CG1 1 ATOM 157 C CG2 . ILE A 1 21 ? -9.201 -41.846 5.930 1.00 28.96 ? 29 ILE A CG2 1 ATOM 158 C CD1 . ILE A 1 21 ? -8.235 -40.151 3.521 1.00 30.95 ? 29 ILE A CD1 1 ATOM 159 N N . LEU A 1 22 ? -11.103 -39.732 8.253 1.00 28.51 ? 30 LEU A N 1 ATOM 160 C CA . LEU A 1 22 ? -11.907 -40.366 9.292 1.00 29.39 ? 30 LEU A CA 1 ATOM 161 C C . LEU A 1 22 ? -13.231 -39.641 9.499 1.00 29.35 ? 30 LEU A C 1 ATOM 162 O O . LEU A 1 22 ? -14.216 -40.238 9.939 1.00 29.34 ? 30 LEU A O 1 ATOM 163 C CB . LEU A 1 22 ? -11.111 -40.348 10.600 1.00 29.18 ? 30 LEU A CB 1 ATOM 164 C CG . LEU A 1 22 ? -10.929 -41.516 11.547 1.00 30.53 ? 30 LEU A CG 1 ATOM 165 C CD1 . LEU A 1 22 ? -10.684 -42.863 10.859 1.00 31.03 ? 30 LEU A CD1 1 ATOM 166 C CD2 . LEU A 1 22 ? -9.754 -41.150 12.446 1.00 29.62 ? 30 LEU A CD2 1 ATOM 167 N N . GLU A 1 23 ? -13.240 -38.351 9.179 1.00 30.14 ? 31 GLU A N 1 ATOM 168 C CA . GLU A 1 23 ? -14.384 -37.497 9.452 1.00 31.18 ? 31 GLU A CA 1 ATOM 169 C C . GLU A 1 23 ? -14.587 -36.452 8.358 1.00 31.32 ? 31 GLU A C 1 ATOM 170 O O . GLU A 1 23 ? -13.632 -35.986 7.730 1.00 31.79 ? 31 GLU A O 1 ATOM 171 C CB . GLU A 1 23 ? -14.205 -36.817 10.817 1.00 31.42 ? 31 GLU A CB 1 ATOM 172 C CG . GLU A 1 23 ? -15.456 -36.114 11.348 1.00 31.86 ? 31 GLU A CG 1 ATOM 173 C CD . GLU A 1 23 ? -15.352 -35.703 12.815 1.00 32.27 ? 31 GLU A CD 1 ATOM 174 O OE1 . GLU A 1 23 ? -14.325 -36.017 13.482 1.00 29.86 ? 31 GLU A OE1 1 ATOM 175 O OE2 . GLU A 1 23 ? -16.325 -35.067 13.289 1.00 32.79 ? 31 GLU A OE2 1 ATOM 176 N N . ARG A 1 24 ? -15.842 -36.083 8.141 1.00 31.73 ? 32 ARG A N 1 ATOM 177 C CA . ARG A 1 24 ? -16.193 -35.054 7.172 1.00 32.18 ? 32 ARG A CA 1 ATOM 178 C C . ARG A 1 24 ? -16.871 -33.848 7.839 1.00 31.75 ? 32 ARG A C 1 ATOM 179 O O . ARG A 1 24 ? -17.459 -33.988 8.918 1.00 32.03 ? 32 ARG A O 1 ATOM 180 C CB . ARG A 1 24 ? -17.104 -35.651 6.103 1.00 33.00 ? 32 ARG A CB 1 ATOM 181 C CG . ARG A 1 24 ? -16.387 -36.616 5.160 1.00 35.96 ? 32 ARG A CG 1 ATOM 182 C CD . ARG A 1 24 ? -17.354 -37.209 4.162 1.00 41.40 ? 32 ARG A CD 1 ATOM 183 N NE . ARG A 1 24 ? -16.938 -38.533 3.703 1.00 45.68 ? 32 ARG A NE 1 ATOM 184 C CZ . ARG A 1 24 ? -17.562 -39.230 2.749 1.00 48.39 ? 32 ARG A CZ 1 ATOM 185 N NH1 . ARG A 1 24 ? -18.631 -38.721 2.132 1.00 48.12 ? 32 ARG A NH1 1 ATOM 186 N NH2 . ARG A 1 24 ? -17.111 -40.434 2.401 1.00 48.84 ? 32 ARG A NH2 1 ATOM 187 N N . ASN A 1 25 ? -16.769 -32.673 7.209 1.00 31.28 ? 33 ASN A N 1 ATOM 188 C CA . ASN A 1 25 ? -17.494 -31.474 7.663 1.00 30.94 ? 33 ASN A CA 1 ATOM 189 C C . ASN A 1 25 ? -17.078 -31.060 9.093 1.00 29.11 ? 33 ASN A C 1 ATOM 190 O O . ASN A 1 25 ? -17.915 -30.735 9.939 1.00 28.48 ? 33 ASN A O 1 ATOM 191 C CB . ASN A 1 25 ? -19.015 -31.725 7.533 1.00 32.36 ? 33 ASN A CB 1 ATOM 192 C CG . ASN A 1 25 ? -19.862 -30.457 7.633 1.00 37.84 ? 33 ASN A CG 1 ATOM 193 O OD1 . ASN A 1 25 ? -19.450 -29.367 7.210 1.00 39.56 ? 33 ASN A OD1 1 ATOM 194 N ND2 . ASN A 1 25 ? -21.087 -30.618 8.167 1.00 45.76 ? 33 ASN A ND2 1 ATOM 195 N N . VAL A 1 26 ? -15.773 -31.104 9.352 1.00 26.65 ? 34 VAL A N 1 ATOM 196 C CA . VAL A 1 26 ? -15.206 -30.724 10.642 1.00 24.38 ? 34 VAL A CA 1 ATOM 197 C C . VAL A 1 26 ? -14.999 -29.217 10.682 1.00 23.43 ? 34 VAL A C 1 ATOM 198 O O . VAL A 1 26 ? -14.389 -28.664 9.782 1.00 23.01 ? 34 VAL A O 1 ATOM 199 C CB . VAL A 1 26 ? -13.844 -31.400 10.899 1.00 24.26 ? 34 VAL A CB 1 ATOM 200 C CG1 . VAL A 1 26 ? -13.275 -30.963 12.257 1.00 23.09 ? 34 VAL A CG1 1 ATOM 201 C CG2 . VAL A 1 26 ? -13.957 -32.930 10.836 1.00 24.20 ? 34 VAL A CG2 1 ATOM 202 N N . THR A 1 27 ? -15.498 -28.562 11.735 1.00 22.30 ? 35 THR A N 1 ATOM 203 C CA . THR A 1 27 ? -15.282 -27.128 11.913 1.00 21.04 ? 35 THR A CA 1 ATOM 204 C C . THR A 1 27 ? -13.928 -26.890 12.581 1.00 19.90 ? 35 THR A C 1 ATOM 205 O O . THR A 1 27 ? -13.602 -27.534 13.574 1.00 19.11 ? 35 THR A O 1 ATOM 206 C CB . THR A 1 27 ? -16.428 -26.453 12.759 1.00 21.52 ? 35 THR A CB 1 ATOM 207 O OG1 . THR A 1 27 ? -17.699 -26.687 12.129 1.00 22.96 ? 35 THR A OG1 1 ATOM 208 C CG2 . THR A 1 27 ? -16.226 -24.952 12.851 1.00 20.33 ? 35 THR A CG2 1 ATOM 209 N N . VAL A 1 28 ? -13.159 -25.963 12.020 1.00 19.39 ? 36 VAL A N 1 ATOM 210 C CA . VAL A 1 28 ? -11.829 -25.632 12.505 1.00 18.88 ? 36 VAL A CA 1 ATOM 211 C C . VAL A 1 28 ? -11.700 -24.131 12.787 1.00 19.47 ? 36 VAL A C 1 ATOM 212 O O . VAL A 1 28 ? -12.384 -23.307 12.177 1.00 19.75 ? 36 VAL A O 1 ATOM 213 C CB . VAL A 1 28 ? -10.715 -26.101 11.515 1.00 18.71 ? 36 VAL A CB 1 ATOM 214 C CG1 . VAL A 1 28 ? -10.663 -27.641 11.450 1.00 17.58 ? 36 VAL A CG1 1 ATOM 215 C CG2 . VAL A 1 28 ? -10.907 -25.490 10.128 1.00 19.38 ? 36 VAL A CG2 1 ATOM 216 N N . THR A 1 29 ? -10.809 -23.775 13.708 1.00 19.31 ? 37 THR A N 1 ATOM 217 C CA . THR A 1 29 ? -10.594 -22.364 14.055 1.00 19.45 ? 37 THR A CA 1 ATOM 218 C C . THR A 1 29 ? -9.986 -21.524 12.931 1.00 19.40 ? 37 THR A C 1 ATOM 219 O O . THR A 1 29 ? -10.204 -20.302 12.861 1.00 19.12 ? 37 THR A O 1 ATOM 220 C CB . THR A 1 29 ? -9.705 -22.228 15.305 1.00 19.55 ? 37 THR A CB 1 ATOM 221 O OG1 . THR A 1 29 ? -8.403 -22.766 15.024 1.00 19.26 ? 37 THR A OG1 1 ATOM 222 C CG2 . THR A 1 29 ? -10.330 -22.958 16.486 1.00 19.54 ? 37 THR A CG2 1 ATOM 223 N N . HIS A 1 30 ? -9.199 -22.181 12.075 1.00 18.87 ? 38 HIS A N 1 ATOM 224 C CA . HIS A 1 30 ? -8.489 -21.523 10.984 1.00 19.74 ? 38 HIS A CA 1 ATOM 225 C C . HIS A 1 30 ? -8.293 -22.531 9.872 1.00 19.22 ? 38 HIS A C 1 ATOM 226 O O . HIS A 1 30 ? -8.071 -23.712 10.129 1.00 17.73 ? 38 HIS A O 1 ATOM 227 C CB . HIS A 1 30 ? -7.115 -21.027 11.445 1.00 20.21 ? 38 HIS A CB 1 ATOM 228 C CG . HIS A 1 30 ? -7.174 -20.030 12.560 1.00 21.72 ? 38 HIS A CG 1 ATOM 229 N ND1 . HIS A 1 30 ? -7.213 -20.394 13.889 1.00 23.83 ? 38 HIS A ND1 1 ATOM 230 C CD2 . HIS A 1 30 ? -7.206 -18.678 12.539 1.00 22.91 ? 38 HIS A CD2 1 ATOM 231 C CE1 . HIS A 1 30 ? -7.274 -19.309 14.639 1.00 23.65 ? 38 HIS A CE1 1 ATOM 232 N NE2 . HIS A 1 30 ? -7.267 -18.254 13.844 1.00 22.56 ? 38 HIS A NE2 1 ATOM 233 N N . ALA A 1 31 ? -8.360 -22.043 8.636 1.00 19.92 ? 39 ALA A N 1 ATOM 234 C CA . ALA A 1 31 ? -8.225 -22.894 7.461 1.00 20.97 ? 39 ALA A CA 1 ATOM 235 C C . ALA A 1 31 ? -7.720 -22.066 6.290 1.00 21.62 ? 39 ALA A C 1 ATOM 236 O O . ALA A 1 31 ? -7.799 -20.827 6.315 1.00 21.16 ? 39 ALA A O 1 ATOM 237 C CB . ALA A 1 31 ? -9.553 -23.534 7.127 1.00 21.32 ? 39 ALA A CB 1 ATOM 238 N N . LYS A 1 32 ? -7.204 -22.751 5.274 1.00 22.14 ? 40 LYS A N 1 ATOM 239 C CA . LYS A 1 32 ? -6.622 -22.093 4.100 1.00 23.91 ? 40 LYS A CA 1 ATOM 240 C C . LYS A 1 32 ? -7.203 -22.733 2.847 1.00 24.16 ? 40 LYS A C 1 ATOM 241 O O . LYS A 1 32 ? -6.945 -23.905 2.550 1.00 24.05 ? 40 LYS A O 1 ATOM 242 C CB . LYS A 1 32 ? -5.089 -22.225 4.126 1.00 24.50 ? 40 LYS A CB 1 ATOM 243 C CG . LYS A 1 32 ? -4.352 -21.669 2.898 1.00 27.07 ? 40 LYS A CG 1 ATOM 244 C CD . LYS A 1 32 ? -4.081 -20.197 3.023 1.00 32.54 ? 40 LYS A CD 1 ATOM 245 C CE . LYS A 1 32 ? -3.770 -19.584 1.660 1.00 33.38 ? 40 LYS A CE 1 ATOM 246 N NZ . LYS A 1 32 ? -4.404 -18.231 1.602 1.00 36.81 ? 40 LYS A NZ 1 ATOM 247 N N . ASP A 1 33 ? -8.011 -21.958 2.132 1.00 24.90 ? 41 ASP A N 1 ATOM 248 C CA . ASP A 1 33 ? -8.535 -22.379 0.839 1.00 25.44 ? 41 ASP A CA 1 ATOM 249 C C . ASP A 1 33 ? -7.425 -22.223 -0.197 1.00 25.20 ? 41 ASP A C 1 ATOM 250 O O . ASP A 1 33 ? -6.888 -21.125 -0.389 1.00 25.72 ? 41 ASP A O 1 ATOM 251 C CB . ASP A 1 33 ? -9.734 -21.513 0.483 1.00 26.00 ? 41 ASP A CB 1 ATOM 252 C CG . ASP A 1 33 ? -10.509 -22.033 -0.722 1.00 27.11 ? 41 ASP A CG 1 ATOM 253 O OD1 . ASP A 1 33 ? -10.027 -22.963 -1.413 1.00 26.97 ? 41 ASP A OD1 1 ATOM 254 O OD2 . ASP A 1 33 ? -11.617 -21.499 -0.954 1.00 29.86 ? 41 ASP A OD2 1 ATOM 255 N N . ILE A 1 34 ? -7.072 -23.318 -0.860 1.00 24.66 ? 42 ILE A N 1 ATOM 256 C CA . ILE A 1 34 ? -5.981 -23.269 -1.829 1.00 24.26 ? 42 ILE A CA 1 ATOM 257 C C . ILE A 1 34 ? -6.471 -23.410 -3.284 1.00 24.23 ? 42 ILE A C 1 ATOM 258 O O . ILE A 1 34 ? -5.672 -23.602 -4.181 1.00 23.94 ? 42 ILE A O 1 ATOM 259 C CB . ILE A 1 34 ? -4.845 -24.282 -1.500 1.00 24.33 ? 42 ILE A CB 1 ATOM 260 C CG1 . ILE A 1 34 ? -5.383 -25.727 -1.477 1.00 23.33 ? 42 ILE A CG1 1 ATOM 261 C CG2 . ILE A 1 34 ? -4.145 -23.889 -0.183 1.00 24.99 ? 42 ILE A CG2 1 ATOM 262 C CD1 . ILE A 1 34 ? -4.294 -26.831 -1.322 1.00 23.93 ? 42 ILE A CD1 1 ATOM 263 N N . LEU A 1 35 ? -7.781 -23.290 -3.499 1.00 23.73 ? 43 LEU A N 1 ATOM 264 C CA . LEU A 1 35 ? -8.351 -23.471 -4.834 1.00 23.10 ? 43 LEU A CA 1 ATOM 265 C C . LEU A 1 35 ? -9.072 -22.233 -5.383 1.00 23.22 ? 43 LEU A C 1 ATOM 266 O O . LEU A 1 35 ? -10.116 -21.822 -4.866 1.00 23.07 ? 43 LEU A O 1 ATOM 267 C CB . LEU A 1 35 ? -9.282 -24.693 -4.862 1.00 23.38 ? 43 LEU A CB 1 ATOM 268 C CG . LEU A 1 35 ? -9.914 -25.003 -6.227 1.00 23.67 ? 43 LEU A CG 1 ATOM 269 C CD1 . LEU A 1 35 ? -8.882 -25.672 -7.122 1.00 25.24 ? 43 LEU A CD1 1 ATOM 270 C CD2 . LEU A 1 35 ? -11.177 -25.851 -6.115 1.00 23.29 ? 43 LEU A CD2 1 ATOM 271 N N . GLU A 1 36 ? -8.529 -21.665 -6.463 1.00 22.51 ? 44 GLU A N 1 ATOM 272 C CA . GLU A 1 36 ? -9.165 -20.523 -7.128 1.00 23.03 ? 44 GLU A CA 1 ATOM 273 C C . GLU A 1 36 ? -10.295 -21.012 -8.015 1.00 22.95 ? 44 GLU A C 1 ATOM 274 O O . GLU A 1 36 ? -10.085 -21.860 -8.873 1.00 22.70 ? 44 GLU A O 1 ATOM 275 C CB . GLU A 1 36 ? -8.169 -19.742 -7.979 1.00 22.55 ? 44 GLU A CB 1 ATOM 276 C CG . GLU A 1 36 ? -8.807 -18.485 -8.642 1.00 24.57 ? 44 GLU A CG 1 ATOM 277 C CD . GLU A 1 36 ? -9.402 -17.519 -7.604 1.00 26.47 ? 44 GLU A CD 1 ATOM 278 O OE1 . GLU A 1 36 ? -8.631 -16.997 -6.776 1.00 28.10 ? 44 GLU A OE1 1 ATOM 279 O OE2 . GLU A 1 36 ? -10.640 -17.302 -7.602 1.00 26.50 ? 44 GLU A OE2 1 ATOM 280 N N . LYS A 1 37 ? -11.489 -20.472 -7.798 1.00 23.14 ? 45 LYS A N 1 ATOM 281 C CA . LYS A 1 37 ? -12.674 -20.914 -8.523 1.00 24.34 ? 45 LYS A CA 1 ATOM 282 C C . LYS A 1 37 ? -13.248 -19.787 -9.389 1.00 24.42 ? 45 LYS A C 1 ATOM 283 O O . LYS A 1 37 ? -14.243 -19.994 -10.068 1.00 25.40 ? 45 LYS A O 1 ATOM 284 C CB . LYS A 1 37 ? -13.750 -21.392 -7.521 1.00 24.47 ? 45 LYS A CB 1 ATOM 285 C CG . LYS A 1 37 ? -13.305 -22.594 -6.702 1.00 23.85 ? 45 LYS A CG 1 ATOM 286 C CD . LYS A 1 37 ? -14.264 -22.909 -5.510 1.00 26.50 ? 45 LYS A CD 1 ATOM 287 C CE . LYS A 1 37 ? -13.939 -22.114 -4.239 1.00 30.75 ? 45 LYS A CE 1 ATOM 288 N NZ . LYS A 1 37 ? -12.536 -22.226 -3.699 1.00 29.80 ? 45 LYS A NZ 1 ATOM 289 N N . THR A 1 38 ? -12.634 -18.611 -9.361 1.00 24.47 ? 46 THR A N 1 ATOM 290 C CA . THR A 1 38 ? -13.211 -17.445 -10.055 1.00 25.31 ? 46 THR A CA 1 ATOM 291 C C . THR A 1 38 ? -12.352 -16.946 -11.243 1.00 25.50 ? 46 THR A C 1 ATOM 292 O O . THR A 1 38 ? -11.141 -17.169 -11.301 1.00 25.03 ? 46 THR A O 1 ATOM 293 C CB . THR A 1 38 ? -13.511 -16.276 -9.115 1.00 25.26 ? 46 THR A CB 1 ATOM 294 O OG1 . THR A 1 38 ? -12.296 -15.621 -8.741 1.00 26.22 ? 46 THR A OG1 1 ATOM 295 C CG2 . THR A 1 38 ? -14.225 -16.754 -7.847 1.00 25.12 ? 46 THR A CG2 1 ATOM 296 N N . HIS A 1 39 ? -13.004 -16.259 -12.172 1.00 26.07 ? 47 HIS A N 1 ATOM 297 C CA . HIS A 1 39 ? -12.327 -15.704 -13.361 1.00 25.95 ? 47 HIS A CA 1 ATOM 298 C C . HIS A 1 39 ? -13.186 -14.529 -13.755 1.00 26.12 ? 47 HIS A C 1 ATOM 299 O O . HIS A 1 39 ? -14.320 -14.429 -13.268 1.00 27.11 ? 47 HIS A O 1 ATOM 300 C CB . HIS A 1 39 ? -12.247 -16.745 -14.484 1.00 25.90 ? 47 HIS A CB 1 ATOM 301 C CG . HIS A 1 39 ? -13.584 -17.238 -14.964 1.00 28.04 ? 47 HIS A CG 1 ATOM 302 N ND1 . HIS A 1 39 ? -14.368 -16.519 -15.847 1.00 29.11 ? 47 HIS A ND1 1 ATOM 303 C CD2 . HIS A 1 39 ? -14.266 -18.381 -14.699 1.00 28.88 ? 47 HIS A CD2 1 ATOM 304 C CE1 . HIS A 1 39 ? -15.475 -17.197 -16.103 1.00 30.85 ? 47 HIS A CE1 1 ATOM 305 N NE2 . HIS A 1 39 ? -15.440 -18.330 -15.417 1.00 29.65 ? 47 HIS A NE2 1 ATOM 306 N N . ASN A 1 40 ? -12.674 -13.638 -14.609 1.00 24.60 ? 48 ASN A N 1 ATOM 307 C CA . ASN A 1 40 ? -13.393 -12.388 -14.903 1.00 24.65 ? 48 ASN A CA 1 ATOM 308 C C . ASN A 1 40 ? -14.340 -12.433 -16.101 1.00 23.75 ? 48 ASN A C 1 ATOM 309 O O . ASN A 1 40 ? -14.964 -11.420 -16.438 1.00 24.67 ? 48 ASN A O 1 ATOM 310 C CB . ASN A 1 40 ? -12.425 -11.216 -15.003 1.00 24.23 ? 48 ASN A CB 1 ATOM 311 C CG . ASN A 1 40 ? -11.600 -11.254 -16.259 1.00 24.51 ? 48 ASN A CG 1 ATOM 312 O OD1 . ASN A 1 40 ? -11.742 -12.163 -17.079 1.00 23.85 ? 48 ASN A OD1 1 ATOM 313 N ND2 . ASN A 1 40 ? -10.720 -10.268 -16.413 1.00 23.92 ? 48 ASN A ND2 1 ATOM 314 N N . GLY A 1 41 ? -14.474 -13.614 -16.694 1.00 24.16 ? 49 GLY A N 1 ATOM 315 C CA . GLY A 1 41 ? -15.366 -13.858 -17.821 1.00 24.79 ? 49 GLY A CA 1 ATOM 316 C C . GLY A 1 41 ? -14.968 -13.167 -19.113 1.00 24.99 ? 49 GLY A C 1 ATOM 317 O O . GLY A 1 41 ? -15.769 -13.115 -20.045 1.00 26.59 ? 49 GLY A O 1 ATOM 318 N N . LYS A 1 42 ? -13.747 -12.621 -19.167 1.00 22.90 ? 50 LYS A N 1 ATOM 319 C CA . LYS A 1 42 ? -13.318 -11.833 -20.330 1.00 22.37 ? 50 LYS A CA 1 ATOM 320 C C . LYS A 1 42 ? -12.071 -12.426 -20.988 1.00 21.75 ? 50 LYS A C 1 ATOM 321 O O . LYS A 1 42 ? -11.258 -13.084 -20.323 1.00 21.40 ? 50 LYS A O 1 ATOM 322 C CB . LYS A 1 42 ? -12.999 -10.405 -19.907 1.00 21.70 ? 50 LYS A CB 1 ATOM 323 C CG . LYS A 1 42 ? -14.180 -9.642 -19.285 1.00 24.10 ? 50 LYS A CG 1 ATOM 324 C CD . LYS A 1 42 ? -13.754 -8.272 -18.848 1.00 26.92 ? 50 LYS A CD 1 ATOM 325 C CE . LYS A 1 42 ? -14.907 -7.510 -18.230 1.00 30.13 ? 50 LYS A CE 1 ATOM 326 N NZ . LYS A 1 42 ? -14.386 -6.242 -17.697 1.00 34.48 ? 50 LYS A NZ 1 ATOM 327 N N . LEU A 1 43 ? -11.929 -12.159 -22.290 1.00 20.81 ? 51 LEU A N 1 ATOM 328 C CA . LEU A 1 43 ? -10.672 -12.412 -23.010 1.00 20.62 ? 51 LEU A CA 1 ATOM 329 C C . LEU A 1 43 ? -9.855 -11.113 -22.964 1.00 19.02 ? 51 LEU A C 1 ATOM 330 O O . LEU A 1 43 ? -10.388 -10.025 -23.212 1.00 19.06 ? 51 LEU A O 1 ATOM 331 C CB . LEU A 1 43 ? -10.970 -12.801 -24.463 1.00 20.57 ? 51 LEU A CB 1 ATOM 332 C CG . LEU A 1 43 ? -11.751 -14.117 -24.584 1.00 23.44 ? 51 LEU A CG 1 ATOM 333 C CD1 . LEU A 1 43 ? -12.331 -14.319 -25.966 1.00 26.51 ? 51 LEU A CD1 1 ATOM 334 C CD2 . LEU A 1 43 ? -10.859 -15.293 -24.200 1.00 26.95 ? 51 LEU A CD2 1 ATOM 335 N N . CYS A 1 44 ? -8.585 -11.226 -22.596 1.00 19.59 ? 52 CYS A N 1 ATOM 336 C CA . CYS A 1 44 ? -7.770 -10.045 -22.263 1.00 19.70 ? 52 CYS A CA 1 ATOM 337 C C . CYS A 1 44 ? -6.402 -10.058 -22.957 1.00 18.84 ? 52 CYS A C 1 ATOM 338 O O . CYS A 1 44 ? -6.004 -11.065 -23.535 1.00 19.64 ? 52 CYS A O 1 ATOM 339 C CB . CYS A 1 44 ? -7.521 -10.003 -20.753 1.00 19.96 ? 52 CYS A CB 1 ATOM 340 S SG . CYS A 1 44 ? -9.047 -9.948 -19.749 1.00 23.33 ? 52 CYS A SG 1 ATOM 341 N N . LYS A 1 45 ? -5.690 -8.924 -22.851 1.00 18.85 ? 53 LYS A N 1 ATOM 342 C CA . LYS A 1 45 ? -4.275 -8.878 -23.216 1.00 19.54 ? 53 LYS A CA 1 ATOM 343 C C . LYS A 1 45 ? -3.563 -9.749 -22.214 1.00 20.84 ? 53 LYS A C 1 ATOM 344 O O . LYS A 1 45 ? -4.020 -9.849 -21.068 1.00 21.20 ? 53 LYS A O 1 ATOM 345 C CB . LYS A 1 45 ? -3.743 -7.454 -23.088 1.00 19.27 ? 53 LYS A CB 1 ATOM 346 C CG . LYS A 1 45 ? -4.327 -6.499 -24.086 1.00 20.43 ? 53 LYS A CG 1 ATOM 347 C CD . LYS A 1 45 ? -3.711 -5.082 -23.871 1.00 24.62 ? 53 LYS A CD 1 ATOM 348 C CE . LYS A 1 45 ? -4.387 -4.356 -22.691 1.00 32.25 ? 53 LYS A CE 1 ATOM 349 N NZ . LYS A 1 45 ? -5.781 -3.917 -22.998 1.00 33.81 ? 53 LYS A NZ 1 ATOM 350 N N . LEU A 1 46 A -2.481 -10.406 -22.647 1.00 21.26 ? 53 LEU A N 1 ATOM 351 C CA . LEU A 1 46 A -1.664 -11.249 -21.782 1.00 23.23 ? 53 LEU A CA 1 ATOM 352 C C . LEU A 1 46 A -0.359 -10.508 -21.594 1.00 24.52 ? 53 LEU A C 1 ATOM 353 O O . LEU A 1 46 A 0.433 -10.414 -22.544 1.00 23.67 ? 53 LEU A O 1 ATOM 354 C CB . LEU A 1 46 A -1.389 -12.602 -22.441 1.00 23.45 ? 53 LEU A CB 1 ATOM 355 C CG . LEU A 1 46 A -0.767 -13.754 -21.613 1.00 23.46 ? 53 LEU A CG 1 ATOM 356 C CD1 . LEU A 1 46 A -1.661 -14.124 -20.467 1.00 26.88 ? 53 LEU A CD1 1 ATOM 357 C CD2 . LEU A 1 46 A -0.514 -14.992 -22.465 1.00 25.96 ? 53 LEU A CD2 1 ATOM 358 N N . ASN A 1 47 ? -0.151 -9.978 -20.383 1.00 25.39 ? 54 ASN A N 1 ATOM 359 C CA . ASN A 1 47 ? 1.003 -9.124 -20.076 1.00 26.83 ? 54 ASN A CA 1 ATOM 360 C C . ASN A 1 47 ? 1.122 -7.951 -21.021 1.00 26.70 ? 54 ASN A C 1 ATOM 361 O O . ASN A 1 47 ? 2.214 -7.642 -21.525 1.00 27.97 ? 54 ASN A O 1 ATOM 362 C CB . ASN A 1 47 ? 2.296 -9.929 -20.112 1.00 28.20 ? 54 ASN A CB 1 ATOM 363 C CG . ASN A 1 47 ? 2.234 -11.154 -19.257 1.00 31.11 ? 54 ASN A CG 1 ATOM 364 O OD1 . ASN A 1 47 ? 2.500 -12.265 -19.722 1.00 35.63 ? 54 ASN A OD1 1 ATOM 365 N ND2 . ASN A 1 47 ? 1.863 -10.973 -17.994 1.00 33.82 ? 54 ASN A ND2 1 ATOM 366 N N . GLY A 1 48 ? -0.009 -7.343 -21.327 1.00 24.51 ? 55 GLY A N 1 ATOM 367 C CA . GLY A 1 48 ? -0.060 -6.164 -22.172 1.00 24.41 ? 55 GLY A CA 1 ATOM 368 C C . GLY A 1 48 ? 0.033 -6.432 -23.661 1.00 23.24 ? 55 GLY A C 1 ATOM 369 O O . GLY A 1 48 ? -0.049 -5.490 -24.436 1.00 24.21 ? 55 GLY A O 1 ATOM 370 N N . ILE A 1 49 ? 0.186 -7.706 -24.060 1.00 21.53 ? 56 ILE A N 1 ATOM 371 C CA . ILE A 1 49 ? 0.252 -8.070 -25.490 1.00 20.85 ? 56 ILE A CA 1 ATOM 372 C C . ILE A 1 49 ? -1.099 -8.675 -25.920 1.00 20.32 ? 56 ILE A C 1 ATOM 373 O O . ILE A 1 49 ? -1.529 -9.691 -25.352 1.00 20.64 ? 56 ILE A O 1 ATOM 374 C CB . ILE A 1 49 ? 1.393 -9.081 -25.772 1.00 20.55 ? 56 ILE A CB 1 ATOM 375 C CG1 . ILE A 1 49 ? 2.759 -8.467 -25.364 1.00 21.09 ? 56 ILE A CG1 1 ATOM 376 C CG2 . ILE A 1 49 ? 1.398 -9.513 -27.255 1.00 22.79 ? 56 ILE A CG2 1 ATOM 377 C CD1 . ILE A 1 49 ? 3.895 -9.477 -25.314 1.00 22.29 ? 56 ILE A CD1 1 ATOM 378 N N . PRO A 1 50 ? -1.768 -8.063 -26.904 1.00 19.47 ? 57 PRO A N 1 ATOM 379 C CA . PRO A 1 50 ? -3.104 -8.580 -27.247 1.00 19.45 ? 57 PRO A CA 1 ATOM 380 C C . PRO A 1 50 ? -3.051 -9.867 -28.040 1.00 18.59 ? 57 PRO A C 1 ATOM 381 O O . PRO A 1 50 ? -2.047 -10.161 -28.719 1.00 18.80 ? 57 PRO A O 1 ATOM 382 C CB . PRO A 1 50 ? -3.732 -7.469 -28.109 1.00 18.87 ? 57 PRO A CB 1 ATOM 383 C CG . PRO A 1 50 ? -2.743 -6.319 -28.109 1.00 21.39 ? 57 PRO A CG 1 ATOM 384 C CD . PRO A 1 50 ? -1.403 -6.880 -27.711 1.00 19.94 ? 57 PRO A CD 1 ATOM 385 N N . PRO A 1 51 ? -4.111 -10.670 -27.945 1.00 18.14 ? 58 PRO A N 1 ATOM 386 C CA . PRO A 1 51 ? -4.188 -11.824 -28.848 1.00 18.44 ? 58 PRO A CA 1 ATOM 387 C C . PRO A 1 51 ? -4.468 -11.397 -30.300 1.00 17.30 ? 58 PRO A C 1 ATOM 388 O O . PRO A 1 51 ? -4.843 -10.224 -30.555 1.00 17.52 ? 58 PRO A O 1 ATOM 389 C CB . PRO A 1 51 ? -5.392 -12.605 -28.314 1.00 18.48 ? 58 PRO A CB 1 ATOM 390 C CG . PRO A 1 51 ? -6.280 -11.521 -27.752 1.00 18.04 ? 58 PRO A CG 1 ATOM 391 C CD . PRO A 1 51 ? -5.309 -10.547 -27.085 1.00 19.74 ? 58 PRO A CD 1 ATOM 392 N N . LEU A 1 52 ? -4.277 -12.350 -31.225 1.00 17.41 ? 59 LEU A N 1 ATOM 393 C CA . LEU A 1 52 ? -4.670 -12.183 -32.630 1.00 17.52 ? 59 LEU A CA 1 ATOM 394 C C . LEU A 1 52 ? -6.103 -12.644 -32.695 1.00 17.66 ? 59 LEU A C 1 ATOM 395 O O . LEU A 1 52 ? -6.378 -13.799 -32.456 1.00 18.40 ? 59 LEU A O 1 ATOM 396 C CB . LEU A 1 52 ? -3.788 -13.038 -33.573 1.00 17.68 ? 59 LEU A CB 1 ATOM 397 C CG . LEU A 1 52 ? -4.243 -13.132 -35.043 1.00 16.26 ? 59 LEU A CG 1 ATOM 398 C CD1 . LEU A 1 52 ? -4.410 -11.697 -35.615 1.00 19.17 ? 59 LEU A CD1 1 ATOM 399 C CD2 . LEU A 1 52 ? -3.162 -13.897 -35.812 1.00 16.59 ? 59 LEU A CD2 1 ATOM 400 N N . GLU A 1 53 ? -7.006 -11.708 -32.974 1.00 17.76 ? 60 GLU A N 1 ATOM 401 C CA . GLU A 1 53 ? -8.423 -12.051 -33.008 1.00 19.07 ? 60 GLU A CA 1 ATOM 402 C C . GLU A 1 53 ? -8.811 -12.348 -34.468 1.00 18.42 ? 60 GLU A C 1 ATOM 403 O O . GLU A 1 53 ? -8.969 -11.421 -35.276 1.00 18.34 ? 60 GLU A O 1 ATOM 404 C CB . GLU A 1 53 ? -9.279 -10.910 -32.387 1.00 19.19 ? 60 GLU A CB 1 ATOM 405 C CG . GLU A 1 53 ? -10.771 -11.247 -32.425 1.00 21.43 ? 60 GLU A CG 1 ATOM 406 C CD . GLU A 1 53 ? -11.665 -10.425 -31.520 1.00 21.79 ? 60 GLU A CD 1 ATOM 407 O OE1 . GLU A 1 53 ? -11.169 -9.717 -30.619 1.00 23.44 ? 60 GLU A OE1 1 ATOM 408 O OE2 . GLU A 1 53 ? -12.898 -10.488 -31.755 1.00 22.67 ? 60 GLU A OE2 1 ATOM 409 N N . LEU A 1 54 ? -8.958 -13.637 -34.806 1.00 17.76 ? 61 LEU A N 1 ATOM 410 C CA . LEU A 1 54 ? -9.311 -14.006 -36.206 1.00 17.46 ? 61 LEU A CA 1 ATOM 411 C C . LEU A 1 54 ? -10.746 -13.606 -36.608 1.00 18.22 ? 61 LEU A C 1 ATOM 412 O O . LEU A 1 54 ? -11.019 -13.476 -37.805 1.00 18.17 ? 61 LEU A O 1 ATOM 413 C CB . LEU A 1 54 ? -9.108 -15.511 -36.444 1.00 18.16 ? 61 LEU A CB 1 ATOM 414 C CG . LEU A 1 54 ? -7.655 -15.940 -36.271 1.00 15.34 ? 61 LEU A CG 1 ATOM 415 C CD1 . LEU A 1 54 ? -7.564 -17.450 -36.383 1.00 19.39 ? 61 LEU A CD1 1 ATOM 416 C CD2 . LEU A 1 54 ? -6.735 -15.188 -37.266 1.00 17.75 ? 61 LEU A CD2 1 ATOM 417 N N . GLY A 1 55 ? -11.639 -13.467 -35.616 1.00 18.30 ? 62 GLY A N 1 ATOM 418 C CA . GLY A 1 55 ? -13.049 -13.096 -35.859 1.00 19.70 ? 62 GLY A CA 1 ATOM 419 C C . GLY A 1 55 ? -13.725 -14.216 -36.611 1.00 18.81 ? 62 GLY A C 1 ATOM 420 O O . GLY A 1 55 ? -13.761 -15.360 -36.106 1.00 19.95 ? 62 GLY A O 1 ATOM 421 N N . ASP A 1 56 ? -14.238 -13.941 -37.819 1.00 18.97 ? 63 ASP A N 1 ATOM 422 C CA . ASP A 1 56 ? -14.880 -15.028 -38.577 1.00 19.57 ? 63 ASP A CA 1 ATOM 423 C C . ASP A 1 56 ? -13.921 -15.799 -39.489 1.00 19.70 ? 63 ASP A C 1 ATOM 424 O O . ASP A 1 56 ? -14.372 -16.626 -40.273 1.00 19.58 ? 63 ASP A O 1 ATOM 425 C CB . ASP A 1 56 ? -16.015 -14.494 -39.442 1.00 20.02 ? 63 ASP A CB 1 ATOM 426 C CG . ASP A 1 56 ? -17.200 -14.006 -38.615 1.00 21.78 ? 63 ASP A CG 1 ATOM 427 O OD1 . ASP A 1 56 ? -17.634 -14.708 -37.674 1.00 25.11 ? 63 ASP A OD1 1 ATOM 428 O OD2 . ASP A 1 56 ? -17.674 -12.899 -38.907 1.00 25.13 ? 63 ASP A OD2 1 ATOM 429 N N . CYS A 1 57 ? -12.623 -15.498 -39.416 1.00 19.49 ? 64 CYS A N 1 ATOM 430 C CA . CYS A 1 57 ? -11.660 -16.154 -40.297 1.00 19.30 ? 64 CYS A CA 1 ATOM 431 C C . CYS A 1 57 ? -11.046 -17.378 -39.649 1.00 18.79 ? 64 CYS A C 1 ATOM 432 O O . CYS A 1 57 ? -10.835 -17.392 -38.439 1.00 18.94 ? 64 CYS A O 1 ATOM 433 C CB . CYS A 1 57 ? -10.558 -15.154 -40.676 1.00 21.13 ? 64 CYS A CB 1 ATOM 434 S SG . CYS A 1 57 ? -11.250 -13.804 -41.669 1.00 23.40 ? 64 CYS A SG 1 ATOM 435 N N . SER A 1 58 ? -10.733 -18.395 -40.449 1.00 17.77 ? 65 SER A N 1 ATOM 436 C CA . SER A 1 58 ? -9.905 -19.477 -39.940 1.00 17.97 ? 65 SER A CA 1 ATOM 437 C C . SER A 1 58 ? -8.429 -19.164 -40.150 1.00 18.12 ? 65 SER A C 1 ATOM 438 O O . SER A 1 58 ? -8.089 -18.238 -40.886 1.00 17.36 ? 65 SER A O 1 ATOM 439 C CB . SER A 1 58 ? -10.213 -20.777 -40.687 1.00 19.57 ? 65 SER A CB 1 ATOM 440 O OG . SER A 1 58 ? -9.801 -20.706 -42.055 1.00 16.37 ? 65 SER A OG 1 ATOM 441 N N . ILE A 1 59 ? -7.581 -19.982 -39.546 1.00 17.26 ? 66 ILE A N 1 ATOM 442 C CA . ILE A 1 59 ? -6.111 -19.950 -39.813 1.00 17.37 ? 66 ILE A CA 1 ATOM 443 C C . ILE A 1 59 ? -5.833 -19.986 -41.321 1.00 17.19 ? 66 ILE A C 1 ATOM 444 O O . ILE A 1 59 ? -5.091 -19.156 -41.837 1.00 16.59 ? 66 ILE A O 1 ATOM 445 C CB . ILE A 1 59 ? -5.387 -21.090 -39.057 1.00 18.07 ? 66 ILE A CB 1 ATOM 446 C CG1 . ILE A 1 59 ? -5.529 -20.844 -37.539 1.00 18.45 ? 66 ILE A CG1 1 ATOM 447 C CG2 . ILE A 1 59 ? -3.904 -21.142 -39.486 1.00 18.21 ? 66 ILE A CG2 1 ATOM 448 C CD1 . ILE A 1 59 ? -4.797 -19.598 -37.045 1.00 20.83 ? 66 ILE A CD1 1 ATOM 449 N N . ALA A 1 60 ? -6.468 -20.915 -42.036 1.00 16.65 ? 67 ALA A N 1 ATOM 450 C CA . ALA A 1 60 ? -6.333 -20.972 -43.505 1.00 16.73 ? 67 ALA A CA 1 ATOM 451 C C . ALA A 1 60 ? -6.816 -19.691 -44.203 1.00 16.84 ? 67 ALA A C 1 ATOM 452 O O . ALA A 1 60 ? -6.144 -19.171 -45.109 1.00 16.38 ? 67 ALA A O 1 ATOM 453 C CB . ALA A 1 60 ? -7.123 -22.216 -44.067 1.00 17.75 ? 67 ALA A CB 1 ATOM 454 N N . GLY A 1 61 ? -7.999 -19.186 -43.813 1.00 15.90 ? 68 GLY A N 1 ATOM 455 C CA . GLY A 1 61 ? -8.509 -17.936 -44.401 1.00 17.61 ? 68 GLY A CA 1 ATOM 456 C C . GLY A 1 61 ? -7.536 -16.789 -44.232 1.00 16.71 ? 68 GLY A C 1 ATOM 457 O O . GLY A 1 61 ? -7.288 -16.024 -45.166 1.00 17.75 ? 68 GLY A O 1 ATOM 458 N N . TRP A 1 62 ? -6.952 -16.685 -43.045 1.00 16.23 ? 69 TRP A N 1 ATOM 459 C CA . TRP A 1 62 ? -5.912 -15.680 -42.780 1.00 15.18 ? 69 TRP A CA 1 ATOM 460 C C . TRP A 1 62 ? -4.692 -15.854 -43.685 1.00 16.01 ? 69 TRP A C 1 ATOM 461 O O . TRP A 1 62 ? -4.308 -14.920 -44.420 1.00 16.39 ? 69 TRP A O 1 ATOM 462 C CB . TRP A 1 62 ? -5.516 -15.757 -41.290 1.00 15.61 ? 69 TRP A CB 1 ATOM 463 C CG . TRP A 1 62 ? -4.258 -15.056 -40.877 1.00 16.26 ? 69 TRP A CG 1 ATOM 464 C CD1 . TRP A 1 62 ? -3.745 -13.880 -41.377 1.00 16.30 ? 69 TRP A CD1 1 ATOM 465 C CD2 . TRP A 1 62 ? -3.348 -15.500 -39.851 1.00 15.99 ? 69 TRP A CD2 1 ATOM 466 N NE1 . TRP A 1 62 ? -2.572 -13.566 -40.710 1.00 16.67 ? 69 TRP A NE1 1 ATOM 467 C CE2 . TRP A 1 62 ? -2.310 -14.531 -39.769 1.00 16.39 ? 69 TRP A CE2 1 ATOM 468 C CE3 . TRP A 1 62 ? -3.321 -16.608 -38.980 1.00 16.46 ? 69 TRP A CE3 1 ATOM 469 C CZ2 . TRP A 1 62 ? -1.252 -14.641 -38.849 1.00 16.83 ? 69 TRP A CZ2 1 ATOM 470 C CZ3 . TRP A 1 62 ? -2.236 -16.743 -38.077 1.00 17.09 ? 69 TRP A CZ3 1 ATOM 471 C CH2 . TRP A 1 62 ? -1.226 -15.759 -38.022 1.00 18.26 ? 69 TRP A CH2 1 ATOM 472 N N . LEU A 1 63 ? -4.078 -17.038 -43.660 1.00 16.43 ? 70 LEU A N 1 ATOM 473 C CA . LEU A 1 63 ? -2.769 -17.186 -44.302 1.00 17.28 ? 70 LEU A CA 1 ATOM 474 C C . LEU A 1 63 ? -2.869 -17.171 -45.826 1.00 16.91 ? 70 LEU A C 1 ATOM 475 O O . LEU A 1 63 ? -1.968 -16.666 -46.489 1.00 17.26 ? 70 LEU A O 1 ATOM 476 C CB . LEU A 1 63 ? -2.028 -18.434 -43.784 1.00 17.11 ? 70 LEU A CB 1 ATOM 477 C CG . LEU A 1 63 ? -1.734 -18.357 -42.263 1.00 17.37 ? 70 LEU A CG 1 ATOM 478 C CD1 . LEU A 1 63 ? -1.243 -19.727 -41.786 1.00 19.74 ? 70 LEU A CD1 1 ATOM 479 C CD2 . LEU A 1 63 ? -0.757 -17.213 -41.918 1.00 18.56 ? 70 LEU A CD2 1 ATOM 480 N N . LEU A 1 64 ? -3.959 -17.713 -46.357 1.00 16.21 ? 71 LEU A N 1 ATOM 481 C CA . LEU A 1 64 ? -4.183 -17.703 -47.790 1.00 15.74 ? 71 LEU A CA 1 ATOM 482 C C . LEU A 1 64 ? -4.601 -16.283 -48.241 1.00 16.64 ? 71 LEU A C 1 ATOM 483 O O . LEU A 1 64 ? -4.322 -15.895 -49.393 1.00 15.49 ? 71 LEU A O 1 ATOM 484 C CB . LEU A 1 64 ? -5.275 -18.703 -48.199 1.00 15.84 ? 71 LEU A CB 1 ATOM 485 C CG . LEU A 1 64 ? -4.946 -20.183 -48.025 1.00 14.08 ? 71 LEU A CG 1 ATOM 486 C CD1 . LEU A 1 64 ? -6.233 -21.009 -48.155 1.00 16.17 ? 71 LEU A CD1 1 ATOM 487 C CD2 . LEU A 1 64 ? -3.841 -20.526 -49.006 1.00 17.42 ? 71 LEU A CD2 1 ATOM 488 N N . GLY A 1 65 ? -5.298 -15.551 -47.347 1.00 15.52 ? 72 GLY A N 1 ATOM 489 C CA . GLY A 1 65 ? -5.799 -14.236 -47.681 1.00 16.32 ? 72 GLY A CA 1 ATOM 490 C C . GLY A 1 65 ? -7.189 -14.235 -48.286 1.00 16.41 ? 72 GLY A C 1 ATOM 491 O O . GLY A 1 65 ? -7.470 -13.483 -49.250 1.00 15.82 ? 72 GLY A O 1 ATOM 492 N N . ASN A 1 66 ? -8.081 -15.036 -47.707 1.00 15.48 ? 73 ASN A N 1 ATOM 493 C CA . ASN A 1 66 ? -9.489 -14.940 -48.124 1.00 15.26 ? 73 ASN A CA 1 ATOM 494 C C . ASN A 1 66 ? -9.877 -13.443 -48.081 1.00 15.53 ? 73 ASN A C 1 ATOM 495 O O . ASN A 1 66 ? -9.544 -12.786 -47.102 1.00 16.41 ? 73 ASN A O 1 ATOM 496 C CB . ASN A 1 66 ? -10.277 -15.773 -47.127 1.00 16.14 ? 73 ASN A CB 1 ATOM 497 C CG . ASN A 1 66 ? -11.771 -15.715 -47.346 1.00 15.33 ? 73 ASN A CG 1 ATOM 498 O OD1 . ASN A 1 66 ? -12.305 -14.672 -47.677 1.00 19.05 ? 73 ASN A OD1 1 ATOM 499 N ND2 . ASN A 1 66 ? -12.456 -16.842 -47.100 1.00 16.00 ? 73 ASN A ND2 1 ATOM 500 N N . PRO A 1 67 ? -10.480 -12.894 -49.159 1.00 16.01 ? 74 PRO A N 1 ATOM 501 C CA . PRO A 1 67 ? -10.777 -11.433 -49.157 1.00 17.81 ? 74 PRO A CA 1 ATOM 502 C C . PRO A 1 67 ? -11.686 -10.963 -48.021 1.00 18.67 ? 74 PRO A C 1 ATOM 503 O O . PRO A 1 67 ? -11.770 -9.752 -47.792 1.00 20.84 ? 74 PRO A O 1 ATOM 504 C CB . PRO A 1 67 ? -11.428 -11.175 -50.532 1.00 19.03 ? 74 PRO A CB 1 ATOM 505 C CG . PRO A 1 67 ? -10.952 -12.316 -51.392 1.00 19.54 ? 74 PRO A CG 1 ATOM 506 C CD . PRO A 1 67 ? -10.794 -13.502 -50.469 1.00 17.05 ? 74 PRO A CD 1 ATOM 507 N N . GLU A 1 68 ? -12.372 -11.870 -47.338 1.00 18.29 ? 75 GLU A N 1 ATOM 508 C CA . GLU A 1 68 ? -13.169 -11.479 -46.148 1.00 20.05 ? 75 GLU A CA 1 ATOM 509 C C . GLU A 1 68 ? -12.293 -11.270 -44.897 1.00 20.13 ? 75 GLU A C 1 ATOM 510 O O . GLU A 1 68 ? -12.784 -10.849 -43.827 1.00 21.70 ? 75 GLU A O 1 ATOM 511 C CB . GLU A 1 68 ? -14.277 -12.502 -45.856 1.00 21.18 ? 75 GLU A CB 1 ATOM 512 C CG . GLU A 1 68 ? -15.265 -12.718 -47.004 1.00 22.32 ? 75 GLU A CG 1 ATOM 513 C CD . GLU A 1 68 ? -16.144 -11.498 -47.321 1.00 31.02 ? 75 GLU A CD 1 ATOM 514 O OE1 . GLU A 1 68 ? -16.451 -10.699 -46.407 1.00 31.24 ? 75 GLU A OE1 1 ATOM 515 O OE2 . GLU A 1 68 ? -16.523 -11.344 -48.511 1.00 34.34 ? 75 GLU A OE2 1 ATOM 516 N N . CYS A 1 69 ? -10.990 -11.489 -45.039 1.00 19.23 ? 76 CYS A N 1 ATOM 517 C CA . CYS A 1 69 ? -10.072 -11.474 -43.897 1.00 19.94 ? 76 CYS A CA 1 ATOM 518 C C . CYS A 1 69 ? -9.051 -10.344 -44.064 1.00 19.37 ? 76 CYS A C 1 ATOM 519 O O . CYS A 1 69 ? -8.000 -10.375 -43.477 1.00 18.75 ? 76 CYS A O 1 ATOM 520 C CB . CYS A 1 69 ? -9.349 -12.817 -43.771 1.00 20.21 ? 76 CYS A CB 1 ATOM 521 S SG . CYS A 1 69 ? -10.506 -14.175 -43.588 1.00 23.56 ? 76 CYS A SG 1 ATOM 522 N N . ASP A 1 70 ? -9.374 -9.353 -44.895 1.00 19.61 ? 77 ASP A N 1 ATOM 523 C CA . ASP A 1 70 ? -8.413 -8.320 -45.253 1.00 20.21 ? 77 ASP A CA 1 ATOM 524 C C . ASP A 1 70 ? -7.863 -7.547 -44.052 1.00 19.94 ? 77 ASP A C 1 ATOM 525 O O . ASP A 1 70 ? -6.771 -6.973 -44.129 1.00 19.24 ? 77 ASP A O 1 ATOM 526 C CB . ASP A 1 70 ? -9.045 -7.326 -46.220 1.00 21.46 ? 77 ASP A CB 1 ATOM 527 C CG . ASP A 1 70 ? -9.011 -7.791 -47.673 1.00 24.35 ? 77 ASP A CG 1 ATOM 528 O OD1 . ASP A 1 70 ? -8.436 -8.847 -47.996 1.00 24.70 ? 77 ASP A OD1 1 ATOM 529 O OD2 . ASP A 1 70 ? -9.561 -7.051 -48.515 1.00 26.32 ? 77 ASP A OD2 1 ATOM 530 N N . ARG A 1 71 ? -8.620 -7.480 -42.957 1.00 20.11 ? 78 ARG A N 1 ATOM 531 C CA . ARG A 1 71 ? -8.093 -6.808 -41.744 1.00 22.14 ? 78 ARG A CA 1 ATOM 532 C C . ARG A 1 71 ? -6.838 -7.503 -41.182 1.00 21.19 ? 78 ARG A C 1 ATOM 533 O O . ARG A 1 71 ? -6.097 -6.911 -40.361 1.00 22.54 ? 78 ARG A O 1 ATOM 534 C CB . ARG A 1 71 ? -9.142 -6.742 -40.637 1.00 23.38 ? 78 ARG A CB 1 ATOM 535 C CG . ARG A 1 71 ? -9.568 -8.104 -40.142 1.00 26.38 ? 78 ARG A CG 1 ATOM 536 C CD . ARG A 1 71 ? -10.774 -7.995 -39.190 1.00 35.11 ? 78 ARG A CD 1 ATOM 537 N NE . ARG A 1 71 ? -11.469 -9.280 -38.958 1.00 37.05 ? 78 ARG A NE 1 ATOM 538 C CZ . ARG A 1 71 ? -12.078 -10.021 -39.894 1.00 41.33 ? 78 ARG A CZ 1 ATOM 539 N NH1 . ARG A 1 71 ? -12.068 -9.626 -41.179 1.00 41.08 ? 78 ARG A NH1 1 ATOM 540 N NH2 . ARG A 1 71 ? -12.714 -11.165 -39.550 1.00 40.51 ? 78 ARG A NH2 1 ATOM 541 N N . LEU A 1 72 ? -6.611 -8.743 -41.614 1.00 18.52 ? 79 LEU A N 1 ATOM 542 C CA . LEU A 1 72 ? -5.507 -9.541 -41.113 1.00 17.40 ? 79 LEU A CA 1 ATOM 543 C C . LEU A 1 72 ? -4.301 -9.530 -42.066 1.00 17.59 ? 79 LEU A C 1 ATOM 544 O O . LEU A 1 72 ? -3.375 -10.365 -41.873 1.00 17.62 ? 79 LEU A O 1 ATOM 545 C CB . LEU A 1 72 ? -5.958 -10.998 -40.933 1.00 15.98 ? 79 LEU A CB 1 ATOM 546 C CG . LEU A 1 72 ? -7.216 -11.250 -40.054 1.00 16.27 ? 79 LEU A CG 1 ATOM 547 C CD1 . LEU A 1 72 ? -7.440 -12.752 -39.910 1.00 19.38 ? 79 LEU A CD1 1 ATOM 548 C CD2 . LEU A 1 72 ? -7.032 -10.572 -38.647 1.00 19.37 ? 79 LEU A CD2 1 ATOM 549 N N . LEU A 1 73 ? -4.344 -8.694 -43.111 1.00 17.51 ? 80 LEU A N 1 ATOM 550 C CA . LEU A 1 73 ? -3.237 -8.676 -44.092 1.00 17.91 ? 80 LEU A CA 1 ATOM 551 C C . LEU A 1 73 ? -1.858 -8.318 -43.522 1.00 17.59 ? 80 LEU A C 1 ATOM 552 O O . LEU A 1 73 ? -0.817 -8.745 -44.068 1.00 19.42 ? 80 LEU A O 1 ATOM 553 C CB . LEU A 1 73 ? -3.578 -7.832 -45.334 1.00 18.39 ? 80 LEU A CB 1 ATOM 554 C CG . LEU A 1 73 ? -4.603 -8.423 -46.321 1.00 17.81 ? 80 LEU A CG 1 ATOM 555 C CD1 . LEU A 1 73 ? -5.149 -7.344 -47.254 1.00 21.19 ? 80 LEU A CD1 1 ATOM 556 C CD2 . LEU A 1 73 ? -4.047 -9.633 -47.140 1.00 20.10 ? 80 LEU A CD2 1 ATOM 557 N N . SER A 1 74 ? -1.855 -7.522 -42.456 1.00 18.40 ? 81 SER A N 1 ATOM 558 C CA . SER A 1 74 ? -0.615 -7.251 -41.704 1.00 20.09 ? 81 SER A CA 1 ATOM 559 C C . SER A 1 74 ? -1.014 -7.216 -40.239 1.00 19.97 ? 81 SER A C 1 ATOM 560 O O . SER A 1 74 ? -1.848 -6.388 -39.863 1.00 21.45 ? 81 SER A O 1 ATOM 561 C CB . SER A 1 74 ? -0.048 -5.909 -42.115 1.00 21.08 ? 81 SER A CB 1 ATOM 562 O OG . SER A 1 74 ? 1.158 -5.651 -41.426 1.00 22.12 ? 81 SER A OG 1 ATOM 563 N N . VAL A 1 75 A -0.474 -8.127 -39.435 1.00 19.44 ? 81 VAL A N 1 ATOM 564 C CA . VAL A 1 75 A -0.823 -8.144 -38.003 1.00 19.83 ? 81 VAL A CA 1 ATOM 565 C C . VAL A 1 75 A 0.423 -8.118 -37.137 1.00 19.59 ? 81 VAL A C 1 ATOM 566 O O . VAL A 1 75 A 1.428 -8.748 -37.492 1.00 19.17 ? 81 VAL A O 1 ATOM 567 C CB . VAL A 1 75 A -1.732 -9.313 -37.621 1.00 19.29 ? 81 VAL A CB 1 ATOM 568 C CG1 . VAL A 1 75 A -3.039 -9.228 -38.407 1.00 21.20 ? 81 VAL A CG1 1 ATOM 569 C CG2 . VAL A 1 75 A -1.032 -10.634 -37.878 1.00 20.11 ? 81 VAL A CG2 1 ATOM 570 N N . PRO A 1 76 ? 0.375 -7.381 -36.017 1.00 19.83 ? 82 PRO A N 1 ATOM 571 C CA . PRO A 1 76 ? 1.554 -7.271 -35.122 1.00 20.02 ? 82 PRO A CA 1 ATOM 572 C C . PRO A 1 76 ? 1.689 -8.505 -34.238 1.00 19.39 ? 82 PRO A C 1 ATOM 573 O O . PRO A 1 76 ? 0.828 -9.400 -34.296 1.00 19.95 ? 82 PRO A O 1 ATOM 574 C CB . PRO A 1 76 ? 1.218 -6.040 -34.257 1.00 20.07 ? 82 PRO A CB 1 ATOM 575 C CG . PRO A 1 76 ? -0.307 -6.054 -34.185 1.00 19.53 ? 82 PRO A CG 1 ATOM 576 C CD . PRO A 1 76 ? -0.779 -6.578 -35.538 1.00 20.50 ? 82 PRO A CD 1 ATOM 577 N N . GLU A 1 77 ? 2.747 -8.568 -33.430 1.00 19.59 ? 83 GLU A N 1 ATOM 578 C CA . GLU A 1 77 ? 2.969 -9.700 -32.535 1.00 19.89 ? 83 GLU A CA 1 ATOM 579 C C . GLU A 1 77 ? 1.755 -9.968 -31.639 1.00 17.95 ? 83 GLU A C 1 ATOM 580 O O . GLU A 1 77 ? 1.093 -9.038 -31.192 1.00 19.61 ? 83 GLU A O 1 ATOM 581 C CB . GLU A 1 77 ? 4.235 -9.471 -31.683 1.00 20.42 ? 83 GLU A CB 1 ATOM 582 C CG . GLU A 1 77 ? 4.359 -10.423 -30.527 1.00 25.43 ? 83 GLU A CG 1 ATOM 583 C CD . GLU A 1 77 ? 5.467 -10.034 -29.522 1.00 25.30 ? 83 GLU A CD 1 ATOM 584 O OE1 . GLU A 1 77 ? 6.029 -8.938 -29.640 1.00 31.09 ? 83 GLU A OE1 1 ATOM 585 O OE2 . GLU A 1 77 ? 5.756 -10.889 -28.649 1.00 33.25 ? 83 GLU A OE2 1 ATOM 586 N N . TRP A 1 78 ? 1.479 -11.240 -31.406 1.00 18.47 ? 84 TRP A N 1 ATOM 587 C CA . TRP A 1 78 ? 0.334 -11.663 -30.549 1.00 17.86 ? 84 TRP A CA 1 ATOM 588 C C . TRP A 1 78 ? 0.784 -12.536 -29.376 1.00 18.84 ? 84 TRP A C 1 ATOM 589 O O . TRP A 1 78 ? 1.899 -13.109 -29.390 1.00 18.55 ? 84 TRP A O 1 ATOM 590 C CB . TRP A 1 78 ? -0.714 -12.428 -31.383 1.00 18.90 ? 84 TRP A CB 1 ATOM 591 C CG . TRP A 1 78 ? -0.151 -13.669 -32.045 1.00 18.41 ? 84 TRP A CG 1 ATOM 592 C CD1 . TRP A 1 78 ? -0.013 -14.892 -31.492 1.00 20.02 ? 84 TRP A CD1 1 ATOM 593 C CD2 . TRP A 1 78 ? 0.387 -13.767 -33.385 1.00 17.88 ? 84 TRP A CD2 1 ATOM 594 N NE1 . TRP A 1 78 ? 0.578 -15.771 -32.387 1.00 21.16 ? 84 TRP A NE1 1 ATOM 595 C CE2 . TRP A 1 78 ? 0.812 -15.104 -33.566 1.00 18.72 ? 84 TRP A CE2 1 ATOM 596 C CE3 . TRP A 1 78 ? 0.540 -12.850 -34.445 1.00 17.13 ? 84 TRP A CE3 1 ATOM 597 C CZ2 . TRP A 1 78 ? 1.384 -15.568 -34.769 1.00 19.15 ? 84 TRP A CZ2 1 ATOM 598 C CZ3 . TRP A 1 78 ? 1.128 -13.317 -35.648 1.00 19.43 ? 84 TRP A CZ3 1 ATOM 599 C CH2 . TRP A 1 78 ? 1.537 -14.662 -35.789 1.00 18.88 ? 84 TRP A CH2 1 ATOM 600 N N . SER A 1 79 ? -0.109 -12.700 -28.392 1.00 18.32 ? 85 SER A N 1 ATOM 601 C CA . SER A 1 79 ? 0.191 -13.546 -27.235 1.00 19.26 ? 85 SER A CA 1 ATOM 602 C C . SER A 1 79 ? -0.519 -14.887 -27.284 1.00 19.39 ? 85 SER A C 1 ATOM 603 O O . SER A 1 79 ? -0.064 -15.837 -26.653 1.00 20.54 ? 85 SER A O 1 ATOM 604 C CB . SER A 1 79 ? -0.211 -12.798 -25.957 1.00 19.00 ? 85 SER A CB 1 ATOM 605 O OG . SER A 1 79 ? -1.521 -12.273 -26.084 1.00 19.61 ? 85 SER A OG 1 ATOM 606 N N . TYR A 1 80 ? -1.639 -14.939 -28.006 1.00 19.25 ? 86 TYR A N 1 ATOM 607 C CA . TYR A 1 80 ? -2.365 -16.179 -28.312 1.00 18.29 ? 86 TYR A CA 1 ATOM 608 C C . TYR A 1 80 ? -3.265 -15.852 -29.495 1.00 18.57 ? 86 TYR A C 1 ATOM 609 O O . TYR A 1 80 ? -3.405 -14.682 -29.880 1.00 18.37 ? 86 TYR A O 1 ATOM 610 C CB . TYR A 1 80 ? -3.187 -16.702 -27.083 1.00 17.76 ? 86 TYR A CB 1 ATOM 611 C CG . TYR A 1 80 ? -4.197 -15.749 -26.454 1.00 18.54 ? 86 TYR A CG 1 ATOM 612 C CD1 . TYR A 1 80 ? -5.557 -15.932 -26.658 1.00 18.24 ? 86 TYR A CD1 1 ATOM 613 C CD2 . TYR A 1 80 ? -3.795 -14.719 -25.578 1.00 20.15 ? 86 TYR A CD2 1 ATOM 614 C CE1 . TYR A 1 80 ? -6.497 -15.083 -26.107 1.00 19.31 ? 86 TYR A CE1 1 ATOM 615 C CE2 . TYR A 1 80 ? -4.753 -13.866 -24.974 1.00 19.09 ? 86 TYR A CE2 1 ATOM 616 C CZ . TYR A 1 80 ? -6.098 -14.071 -25.238 1.00 17.91 ? 86 TYR A CZ 1 ATOM 617 O OH . TYR A 1 80 ? -7.027 -13.270 -24.667 1.00 19.02 ? 86 TYR A OH 1 ATOM 618 N N . ILE A 1 81 ? -3.836 -16.873 -30.113 1.00 17.97 ? 87 ILE A N 1 ATOM 619 C CA . ILE A 1 81 ? -4.686 -16.664 -31.275 1.00 18.74 ? 87 ILE A CA 1 ATOM 620 C C . ILE A 1 81 ? -6.084 -17.096 -30.889 1.00 18.96 ? 87 ILE A C 1 ATOM 621 O O . ILE A 1 81 ? -6.259 -18.197 -30.374 1.00 22.23 ? 87 ILE A O 1 ATOM 622 C CB . ILE A 1 81 ? -4.195 -17.480 -32.480 1.00 18.78 ? 87 ILE A CB 1 ATOM 623 C CG1 . ILE A 1 81 ? -2.778 -17.010 -32.853 1.00 17.55 ? 87 ILE A CG1 1 ATOM 624 C CG2 . ILE A 1 81 ? -5.155 -17.339 -33.677 1.00 19.32 ? 87 ILE A CG2 1 ATOM 625 C CD1 . ILE A 1 81 ? -2.058 -17.857 -33.967 1.00 19.86 ? 87 ILE A CD1 1 ATOM 626 N N . MET A 1 82 ? -7.066 -16.254 -31.158 1.00 17.42 ? 88 MET A N 1 ATOM 627 C CA . MET A 1 82 ? -8.472 -16.631 -30.918 1.00 19.53 ? 88 MET A CA 1 ATOM 628 C C . MET A 1 82 ? -9.091 -17.104 -32.212 1.00 18.81 ? 88 MET A C 1 ATOM 629 O O . MET A 1 82 ? -9.102 -16.352 -33.191 1.00 18.96 ? 88 MET A O 1 ATOM 630 C CB . MET A 1 82 ? -9.271 -15.449 -30.382 1.00 19.67 ? 88 MET A CB 1 ATOM 631 C CG . MET A 1 82 ? -8.795 -14.953 -29.014 1.00 19.93 ? 88 MET A CG 1 ATOM 632 S SD . MET A 1 82 ? -9.243 -13.234 -28.742 1.00 22.94 ? 88 MET A SD 1 ATOM 633 C CE . MET A 1 82 ? -10.977 -13.155 -29.205 1.00 22.81 ? 88 MET A CE 1 ATOM 634 N N . GLU A 1 83 ? -9.627 -18.335 -32.215 1.00 18.10 ? 89 GLU A N 1 ATOM 635 C CA . GLU A 1 83 ? -10.285 -18.867 -33.415 1.00 18.68 ? 89 GLU A CA 1 ATOM 636 C C . GLU A 1 83 ? -11.626 -19.426 -33.014 1.00 19.11 ? 89 GLU A C 1 ATOM 637 O O . GLU A 1 83 ? -11.730 -20.077 -31.975 1.00 20.02 ? 89 GLU A O 1 ATOM 638 C CB . GLU A 1 83 ? -9.426 -19.975 -34.089 1.00 18.55 ? 89 GLU A CB 1 ATOM 639 C CG . GLU A 1 83 ? -9.981 -20.343 -35.510 1.00 19.90 ? 89 GLU A CG 1 ATOM 640 C CD . GLU A 1 83 ? -9.277 -21.517 -36.174 1.00 20.81 ? 89 GLU A CD 1 ATOM 641 O OE1 . GLU A 1 83 ? -8.971 -22.531 -35.469 1.00 21.65 ? 89 GLU A OE1 1 ATOM 642 O OE2 . GLU A 1 83 ? -9.055 -21.457 -37.425 1.00 20.54 ? 89 GLU A OE2 1 ATOM 643 N N . LYS A 1 84 ? -12.648 -19.182 -33.836 1.00 19.80 ? 90 LYS A N 1 ATOM 644 C CA . LYS A 1 84 ? -13.971 -19.732 -33.545 1.00 20.42 ? 90 LYS A CA 1 ATOM 645 C C . LYS A 1 84 ? -14.006 -21.214 -33.838 1.00 21.61 ? 90 LYS A C 1 ATOM 646 O O . LYS A 1 84 ? -13.123 -21.754 -34.500 1.00 21.81 ? 90 LYS A O 1 ATOM 647 C CB . LYS A 1 84 ? -15.056 -19.009 -34.315 1.00 20.07 ? 90 LYS A CB 1 ATOM 648 C CG . LYS A 1 84 ? -15.218 -17.543 -33.892 1.00 20.68 ? 90 LYS A CG 1 ATOM 649 C CD . LYS A 1 84 ? -16.358 -16.864 -34.587 1.00 22.58 ? 90 LYS A CD 1 ATOM 650 C CE . LYS A 1 84 ? -16.425 -15.424 -34.111 1.00 26.42 ? 90 LYS A CE 1 ATOM 651 N NZ . LYS A 1 84 ? -17.568 -14.700 -34.763 1.00 30.18 ? 90 LYS A NZ 1 ATOM 652 N N . GLU A 1 85 ? -15.041 -21.875 -33.331 1.00 23.61 ? 91 GLU A N 1 ATOM 653 C CA . GLU A 1 85 ? -15.163 -23.316 -33.560 1.00 24.54 ? 91 GLU A CA 1 ATOM 654 C C . GLU A 1 85 ? -15.340 -23.657 -35.043 1.00 24.35 ? 91 GLU A C 1 ATOM 655 O O . GLU A 1 85 ? -14.734 -24.614 -35.553 1.00 25.15 ? 91 GLU A O 1 ATOM 656 C CB . GLU A 1 85 ? -16.329 -23.852 -32.721 1.00 24.56 ? 91 GLU A CB 1 ATOM 657 C CG . GLU A 1 85 ? -16.500 -25.366 -32.819 1.00 30.65 ? 91 GLU A CG 1 ATOM 658 C CD . GLU A 1 85 ? -15.307 -26.191 -32.284 1.00 37.31 ? 91 GLU A CD 1 ATOM 659 O OE1 . GLU A 1 85 ? -14.437 -25.693 -31.523 1.00 40.22 ? 91 GLU A OE1 1 ATOM 660 O OE2 . GLU A 1 85 ? -15.255 -27.395 -32.631 1.00 44.44 ? 91 GLU A OE2 1 ATOM 661 N N . ASN A 1 86 ? -16.145 -22.864 -35.739 1.00 24.11 ? 92 ASN A N 1 ATOM 662 C CA . ASN A 1 86 ? -16.500 -23.112 -37.128 1.00 24.83 ? 92 ASN A CA 1 ATOM 663 C C . ASN A 1 86 ? -16.448 -21.787 -37.884 1.00 23.89 ? 92 ASN A C 1 ATOM 664 O O . ASN A 1 86 ? -17.482 -21.237 -38.218 1.00 22.71 ? 92 ASN A O 1 ATOM 665 C CB . ASN A 1 86 ? -17.926 -23.697 -37.200 1.00 26.15 ? 92 ASN A CB 1 ATOM 666 C CG . ASN A 1 86 ? -18.038 -25.064 -36.514 1.00 31.27 ? 92 ASN A CG 1 ATOM 667 O OD1 . ASN A 1 86 ? -18.918 -25.276 -35.658 1.00 38.17 ? 92 ASN A OD1 1 ATOM 668 N ND2 . ASN A 1 86 ? -17.155 -25.989 -36.885 1.00 35.51 ? 92 ASN A ND2 1 ATOM 669 N N . PRO A 1 87 ? -15.238 -21.240 -38.112 1.00 22.36 ? 93 PRO A N 1 ATOM 670 C CA . PRO A 1 87 ? -15.160 -19.927 -38.764 1.00 21.49 ? 93 PRO A CA 1 ATOM 671 C C . PRO A 1 87 ? -15.750 -19.978 -40.163 1.00 21.83 ? 93 PRO A C 1 ATOM 672 O O . PRO A 1 87 ? -15.516 -20.942 -40.915 1.00 22.16 ? 93 PRO A O 1 ATOM 673 C CB . PRO A 1 87 ? -13.643 -19.695 -38.889 1.00 20.92 ? 93 PRO A CB 1 ATOM 674 C CG . PRO A 1 87 ? -13.066 -20.534 -37.858 1.00 22.86 ? 93 PRO A CG 1 ATOM 675 C CD . PRO A 1 87 ? -13.891 -21.781 -37.866 1.00 22.85 ? 93 PRO A CD 1 ATOM 676 N N . ARG A 1 88 ? -16.538 -18.959 -40.501 1.00 21.61 ? 94 ARG A N 1 ATOM 677 C CA . ARG A 1 88 ? -17.165 -18.852 -41.812 1.00 22.47 ? 94 ARG A CA 1 ATOM 678 C C . ARG A 1 88 ? -16.199 -18.666 -42.986 1.00 22.03 ? 94 ARG A C 1 ATOM 679 O O . ARG A 1 88 ? -16.457 -19.158 -44.097 1.00 22.44 ? 94 ARG A O 1 ATOM 680 C CB . ARG A 1 88 ? -18.129 -17.665 -41.784 1.00 23.80 ? 94 ARG A CB 1 ATOM 681 C CG . ARG A 1 88 ? -19.031 -17.546 -42.955 1.00 28.27 ? 94 ARG A CG 1 ATOM 682 C CD . ARG A 1 88 ? -19.986 -16.353 -42.732 1.00 35.11 ? 94 ARG A CD 1 ATOM 683 N NE . ARG A 1 88 ? -20.733 -16.504 -41.472 1.00 39.82 ? 94 ARG A NE 1 ATOM 684 C CZ . ARG A 1 88 ? -20.624 -15.701 -40.413 1.00 42.27 ? 94 ARG A CZ 1 ATOM 685 N NH1 . ARG A 1 88 ? -19.807 -14.651 -40.439 1.00 43.10 ? 94 ARG A NH1 1 ATOM 686 N NH2 . ARG A 1 88 ? -21.349 -15.937 -39.323 1.00 43.28 ? 94 ARG A NH2 1 ATOM 687 N N . ASP A 1 89 ? -15.094 -17.936 -42.748 1.00 21.02 ? 95 ASP A N 1 ATOM 688 C CA . ASP A 1 89 ? -14.225 -17.456 -43.823 1.00 20.04 ? 95 ASP A CA 1 ATOM 689 C C . ASP A 1 89 ? -12.908 -18.220 -43.836 1.00 19.17 ? 95 ASP A C 1 ATOM 690 O O . ASP A 1 89 ? -11.955 -17.879 -43.150 1.00 18.70 ? 95 ASP A O 1 ATOM 691 C CB . ASP A 1 89 ? -14.031 -15.955 -43.720 1.00 20.39 ? 95 ASP A CB 1 ATOM 692 C CG . ASP A 1 89 ? -15.352 -15.220 -43.840 1.00 21.34 ? 95 ASP A CG 1 ATOM 693 O OD1 . ASP A 1 89 ? -16.106 -15.531 -44.807 1.00 19.50 ? 95 ASP A OD1 1 ATOM 694 O OD2 . ASP A 1 89 ? -15.685 -14.381 -42.941 1.00 22.83 ? 95 ASP A OD2 1 ATOM 695 N N . GLY A 1 90 A -12.897 -19.266 -44.646 1.00 17.49 ? 95 GLY A N 1 ATOM 696 C CA . GLY A 1 90 A -11.730 -20.129 -44.705 1.00 17.75 ? 95 GLY A CA 1 ATOM 697 C C . GLY A 1 90 A -11.356 -20.258 -46.164 1.00 18.03 ? 95 GLY A C 1 ATOM 698 O O . GLY A 1 90 A -10.884 -19.296 -46.776 1.00 17.22 ? 95 GLY A O 1 ATOM 699 N N . LEU A 1 91 ? -11.579 -21.470 -46.706 1.00 18.05 ? 96 LEU A N 1 ATOM 700 C CA . LEU A 1 91 ? -11.318 -21.728 -48.135 1.00 18.98 ? 96 LEU A CA 1 ATOM 701 C C . LEU A 1 91 ? -12.505 -21.226 -48.976 1.00 18.70 ? 96 LEU A C 1 ATOM 702 O O . LEU A 1 91 ? -13.455 -21.991 -49.239 1.00 19.61 ? 96 LEU A O 1 ATOM 703 C CB . LEU A 1 91 ? -11.081 -23.238 -48.354 1.00 19.09 ? 96 LEU A CB 1 ATOM 704 C CG . LEU A 1 91 ? -9.620 -23.720 -48.385 1.00 23.92 ? 96 LEU A CG 1 ATOM 705 C CD1 . LEU A 1 91 ? -8.722 -23.216 -47.282 1.00 25.64 ? 96 LEU A CD1 1 ATOM 706 C CD2 . LEU A 1 91 ? -9.573 -25.243 -48.453 1.00 22.90 ? 96 LEU A CD2 1 ATOM 707 N N . CYS A 1 92 ? -12.441 -19.963 -49.437 1.00 18.12 ? 97 CYS A N 1 ATOM 708 C CA . CYS A 1 92 ? -13.604 -19.428 -50.194 1.00 19.31 ? 97 CYS A CA 1 ATOM 709 C C . CYS A 1 92 ? -13.798 -20.207 -51.483 1.00 18.43 ? 97 CYS A C 1 ATOM 710 O O . CYS A 1 92 ? -14.928 -20.510 -51.853 1.00 19.34 ? 97 CYS A O 1 ATOM 711 C CB . CYS A 1 92 ? -13.498 -17.928 -50.516 1.00 19.21 ? 97 CYS A CB 1 ATOM 712 S SG . CYS A 1 92 ? -11.913 -17.347 -51.154 1.00 24.34 ? 97 CYS A SG 1 ATOM 713 N N . TYR A 1 93 ? -12.689 -20.499 -52.159 1.00 17.76 ? 98 TYR A N 1 ATOM 714 C CA . TYR A 1 93 ? -12.677 -21.482 -53.237 1.00 16.79 ? 98 TYR A CA 1 ATOM 715 C C . TYR A 1 93 ? -12.505 -22.815 -52.483 1.00 16.85 ? 98 TYR A C 1 ATOM 716 O O . TYR A 1 93 ? -11.496 -22.983 -51.804 1.00 18.72 ? 98 TYR A O 1 ATOM 717 C CB . TYR A 1 93 ? -11.489 -21.257 -54.234 1.00 16.44 ? 98 TYR A CB 1 ATOM 718 C CG . TYR A 1 93 ? -11.760 -21.995 -55.542 1.00 17.77 ? 98 TYR A CG 1 ATOM 719 C CD1 . TYR A 1 93 ? -12.194 -21.340 -56.699 1.00 16.14 ? 98 TYR A CD1 1 ATOM 720 C CD2 . TYR A 1 93 ? -11.643 -23.395 -55.599 1.00 19.18 ? 98 TYR A CD2 1 ATOM 721 C CE1 . TYR A 1 93 ? -12.498 -22.065 -57.880 1.00 17.78 ? 98 TYR A CE1 1 ATOM 722 C CE2 . TYR A 1 93 ? -11.953 -24.114 -56.783 1.00 17.63 ? 98 TYR A CE2 1 ATOM 723 C CZ . TYR A 1 93 ? -12.357 -23.461 -57.901 1.00 17.63 ? 98 TYR A CZ 1 ATOM 724 O OH . TYR A 1 93 ? -12.654 -24.205 -59.039 1.00 17.40 ? 98 TYR A OH 1 ATOM 725 N N . PRO A 1 94 ? -13.479 -23.741 -52.609 1.00 17.48 ? 99 PRO A N 1 ATOM 726 C CA . PRO A 1 94 ? -13.477 -24.913 -51.725 1.00 17.77 ? 99 PRO A CA 1 ATOM 727 C C . PRO A 1 94 ? -12.301 -25.841 -52.017 1.00 18.21 ? 99 PRO A C 1 ATOM 728 O O . PRO A 1 94 ? -11.725 -25.795 -53.104 1.00 17.66 ? 99 PRO A O 1 ATOM 729 C CB . PRO A 1 94 ? -14.788 -25.634 -52.068 1.00 18.39 ? 99 PRO A CB 1 ATOM 730 C CG . PRO A 1 94 ? -15.090 -25.251 -53.505 1.00 18.27 ? 99 PRO A CG 1 ATOM 731 C CD . PRO A 1 94 ? -14.608 -23.774 -53.574 1.00 17.93 ? 99 PRO A CD 1 ATOM 732 N N . GLY A 1 95 ? -11.970 -26.685 -51.056 1.00 18.52 ? 100 GLY A N 1 ATOM 733 C CA . GLY A 1 95 ? -10.878 -27.622 -51.272 1.00 19.40 ? 100 GLY A CA 1 ATOM 734 C C . GLY A 1 95 ? -10.380 -28.217 -49.989 1.00 19.17 ? 100 GLY A C 1 ATOM 735 O O . GLY A 1 95 ? -11.164 -28.529 -49.093 1.00 19.31 ? 100 GLY A O 1 ATOM 736 N N . SER A 1 96 ? -9.061 -28.350 -49.886 1.00 16.21 ? 101 SER A N 1 ATOM 737 C CA . SER A 1 96 ? -8.480 -29.008 -48.720 1.00 18.32 ? 101 SER A CA 1 ATOM 738 C C . SER A 1 96 ? -7.121 -28.360 -48.405 1.00 17.74 ? 101 SER A C 1 ATOM 739 O O . SER A 1 96 ? -6.586 -27.605 -49.226 1.00 18.43 ? 101 SER A O 1 ATOM 740 C CB . SER A 1 96 ? -8.305 -30.505 -49.013 1.00 19.04 ? 101 SER A CB 1 ATOM 741 O OG . SER A 1 96 ? -7.426 -30.710 -50.107 1.00 19.55 ? 101 SER A OG 1 ATOM 742 N N . PHE A 1 97 ? -6.576 -28.656 -47.217 1.00 17.18 ? 102 PHE A N 1 ATOM 743 C CA . PHE A 1 97 ? -5.319 -28.043 -46.770 1.00 16.33 ? 102 PHE A CA 1 ATOM 744 C C . PHE A 1 97 ? -4.581 -29.185 -46.119 1.00 17.87 ? 102 PHE A C 1 ATOM 745 O O . PHE A 1 97 ? -4.937 -29.635 -44.995 1.00 18.41 ? 102 PHE A O 1 ATOM 746 C CB . PHE A 1 97 ? -5.621 -26.894 -45.775 1.00 16.85 ? 102 PHE A CB 1 ATOM 747 C CG . PHE A 1 97 ? -4.504 -25.893 -45.630 1.00 17.91 ? 102 PHE A CG 1 ATOM 748 C CD1 . PHE A 1 97 ? -4.693 -24.557 -46.037 1.00 16.19 ? 102 PHE A CD1 1 ATOM 749 C CD2 . PHE A 1 97 ? -3.284 -26.284 -45.106 1.00 20.53 ? 102 PHE A CD2 1 ATOM 750 C CE1 . PHE A 1 97 ? -3.666 -23.606 -45.919 1.00 19.32 ? 102 PHE A CE1 1 ATOM 751 C CE2 . PHE A 1 97 ? -2.211 -25.322 -44.965 1.00 17.43 ? 102 PHE A CE2 1 ATOM 752 C CZ . PHE A 1 97 ? -2.425 -23.974 -45.395 1.00 18.76 ? 102 PHE A CZ 1 ATOM 753 N N . ASN A 1 98 ? -3.595 -29.708 -46.831 1.00 17.55 ? 103 ASN A N 1 ATOM 754 C CA . ASN A 1 98 ? -2.795 -30.814 -46.316 1.00 17.90 ? 103 ASN A CA 1 ATOM 755 C C . ASN A 1 98 ? -2.001 -30.481 -45.051 1.00 18.86 ? 103 ASN A C 1 ATOM 756 O O . ASN A 1 98 ? -1.427 -29.388 -44.961 1.00 18.29 ? 103 ASN A O 1 ATOM 757 C CB . ASN A 1 98 ? -1.825 -31.273 -47.390 1.00 18.24 ? 103 ASN A CB 1 ATOM 758 C CG . ASN A 1 98 ? -2.543 -31.905 -48.571 1.00 19.02 ? 103 ASN A CG 1 ATOM 759 O OD1 . ASN A 1 98 ? -3.423 -32.792 -48.383 1.00 19.68 ? 103 ASN A OD1 1 ATOM 760 N ND2 . ASN A 1 98 ? -2.160 -31.509 -49.779 1.00 18.53 ? 103 ASN A ND2 1 ATOM 761 N N . ASP A 1 99 ? -1.963 -31.436 -44.103 1.00 17.72 ? 104 ASP A N 1 ATOM 762 C CA . ASP A 1 99 ? -1.224 -31.237 -42.825 1.00 18.89 ? 104 ASP A CA 1 ATOM 763 C C . ASP A 1 99 ? -1.617 -29.912 -42.125 1.00 17.06 ? 104 ASP A C 1 ATOM 764 O O . ASP A 1 99 ? -0.794 -29.172 -41.563 1.00 18.68 ? 104 ASP A O 1 ATOM 765 C CB . ASP A 1 99 ? 0.302 -31.283 -43.070 1.00 19.62 ? 104 ASP A CB 1 ATOM 766 C CG . ASP A 1 99 ? 0.717 -32.439 -43.935 1.00 26.98 ? 104 ASP A CG 1 ATOM 767 O OD1 . ASP A 1 99 ? 0.570 -33.574 -43.486 1.00 29.15 ? 104 ASP A OD1 1 ATOM 768 O OD2 . ASP A 1 99 ? 1.222 -32.191 -45.055 1.00 32.76 ? 104 ASP A OD2 1 ATOM 769 N N . TYR A 1 100 ? -2.910 -29.614 -42.152 1.00 17.88 ? 105 TYR A N 1 ATOM 770 C CA . TYR A 1 100 ? -3.434 -28.359 -41.574 1.00 17.14 ? 105 TYR A CA 1 ATOM 771 C C . TYR A 1 100 ? -3.261 -28.327 -40.055 1.00 17.44 ? 105 TYR A C 1 ATOM 772 O O . TYR A 1 100 ? -2.861 -27.335 -39.478 1.00 16.72 ? 105 TYR A O 1 ATOM 773 C CB . TYR A 1 100 ? -4.923 -28.270 -41.930 1.00 17.44 ? 105 TYR A CB 1 ATOM 774 C CG . TYR A 1 100 ? -5.583 -26.974 -41.579 1.00 19.51 ? 105 TYR A CG 1 ATOM 775 C CD1 . TYR A 1 100 ? -4.949 -25.742 -41.840 1.00 18.30 ? 105 TYR A CD1 1 ATOM 776 C CD2 . TYR A 1 100 ? -6.850 -26.958 -40.995 1.00 18.63 ? 105 TYR A CD2 1 ATOM 777 C CE1 . TYR A 1 100 ? -5.587 -24.512 -41.521 1.00 18.56 ? 105 TYR A CE1 1 ATOM 778 C CE2 . TYR A 1 100 ? -7.492 -25.734 -40.665 1.00 19.98 ? 105 TYR A CE2 1 ATOM 779 C CZ . TYR A 1 100 ? -6.846 -24.519 -40.931 1.00 18.73 ? 105 TYR A CZ 1 ATOM 780 O OH . TYR A 1 100 ? -7.495 -23.340 -40.603 1.00 19.55 ? 105 TYR A OH 1 ATOM 781 N N . GLU A 1 101 ? -3.569 -29.458 -39.392 1.00 16.97 ? 106 GLU A N 1 ATOM 782 C CA . GLU A 1 101 ? -3.399 -29.543 -37.943 1.00 18.28 ? 106 GLU A CA 1 ATOM 783 C C . GLU A 1 101 ? -1.943 -29.410 -37.508 1.00 17.40 ? 106 GLU A C 1 ATOM 784 O O . GLU A 1 101 ? -1.645 -28.794 -36.483 1.00 17.29 ? 106 GLU A O 1 ATOM 785 C CB . GLU A 1 101 ? -4.002 -30.850 -37.423 1.00 18.58 ? 106 GLU A CB 1 ATOM 786 C CG . GLU A 1 101 ? -5.540 -30.810 -37.532 1.00 22.16 ? 106 GLU A CG 1 ATOM 787 C CD . GLU A 1 101 ? -6.051 -31.027 -38.954 1.00 21.68 ? 106 GLU A CD 1 ATOM 788 O OE1 . GLU A 1 101 ? -5.367 -31.696 -39.772 1.00 23.24 ? 106 GLU A OE1 1 ATOM 789 O OE2 . GLU A 1 101 ? -7.143 -30.495 -39.233 1.00 30.02 ? 106 GLU A OE2 1 ATOM 790 N N . GLU A 1 102 ? -1.029 -29.966 -38.307 1.00 17.37 ? 107 GLU A N 1 ATOM 791 C CA . GLU A 1 102 ? 0.405 -29.723 -38.076 1.00 17.54 ? 107 GLU A CA 1 ATOM 792 C C . GLU A 1 102 ? 0.798 -28.238 -38.162 1.00 18.48 ? 107 GLU A C 1 ATOM 793 O O . GLU A 1 102 ? 1.584 -27.725 -37.348 1.00 17.37 ? 107 GLU A O 1 ATOM 794 C CB . GLU A 1 102 ? 1.234 -30.581 -39.037 1.00 17.67 ? 107 GLU A CB 1 ATOM 795 C CG . GLU A 1 102 ? 1.244 -32.069 -38.557 1.00 16.86 ? 107 GLU A CG 1 ATOM 796 C CD . GLU A 1 102 ? 2.189 -32.308 -37.365 1.00 18.68 ? 107 GLU A CD 1 ATOM 797 O OE1 . GLU A 1 102 ? 3.348 -31.861 -37.396 1.00 18.75 ? 107 GLU A OE1 1 ATOM 798 O OE2 . GLU A 1 102 ? 1.756 -32.992 -36.408 1.00 19.19 ? 107 GLU A OE2 1 ATOM 799 N N . LEU A 1 103 ? 0.239 -27.560 -39.158 1.00 17.31 ? 108 LEU A N 1 ATOM 800 C CA . LEU A 1 103 ? 0.467 -26.111 -39.292 1.00 18.50 ? 108 LEU A CA 1 ATOM 801 C C . LEU A 1 103 ? -0.071 -25.353 -38.056 1.00 18.49 ? 108 LEU A C 1 ATOM 802 O O . LEU A 1 103 ? 0.630 -24.498 -37.491 1.00 18.35 ? 108 LEU A O 1 ATOM 803 C CB . LEU A 1 103 ? -0.197 -25.598 -40.585 1.00 19.19 ? 108 LEU A CB 1 ATOM 804 C CG . LEU A 1 103 ? 0.075 -24.109 -40.808 1.00 19.59 ? 108 LEU A CG 1 ATOM 805 C CD1 . LEU A 1 103 ? 1.581 -23.818 -40.730 1.00 23.38 ? 108 LEU A CD1 1 ATOM 806 C CD2 . LEU A 1 103 ? -0.488 -23.729 -42.187 1.00 23.14 ? 108 LEU A CD2 1 ATOM 807 N N . LYS A 1 104 ? -1.286 -25.689 -37.606 1.00 18.68 ? 109 LYS A N 1 ATOM 808 C CA . LYS A 1 104 ? -1.851 -25.058 -36.390 1.00 19.84 ? 109 LYS A CA 1 ATOM 809 C C . LYS A 1 104 ? -0.950 -25.303 -35.180 1.00 18.79 ? 109 LYS A C 1 ATOM 810 O O . LYS A 1 104 ? -0.756 -24.413 -34.321 1.00 20.25 ? 109 LYS A O 1 ATOM 811 C CB . LYS A 1 104 ? -3.268 -25.598 -36.121 1.00 19.36 ? 109 LYS A CB 1 ATOM 812 C CG . LYS A 1 104 ? -4.236 -25.168 -37.257 1.00 19.53 ? 109 LYS A CG 1 ATOM 813 C CD . LYS A 1 104 ? -5.680 -25.617 -37.015 1.00 24.66 ? 109 LYS A CD 1 ATOM 814 C CE . LYS A 1 104 ? -6.542 -24.519 -36.563 1.00 28.32 ? 109 LYS A CE 1 ATOM 815 N NZ . LYS A 1 104 ? -7.966 -25.033 -36.529 1.00 27.15 ? 109 LYS A NZ 1 ATOM 816 N N . HIS A 1 105 ? -0.397 -26.508 -35.081 1.00 19.18 ? 110 HIS A N 1 ATOM 817 C CA . HIS A 1 105 ? 0.497 -26.822 -33.982 1.00 19.59 ? 110 HIS A CA 1 ATOM 818 C C . HIS A 1 105 ? 1.755 -25.952 -34.017 1.00 19.89 ? 110 HIS A C 1 ATOM 819 O O . HIS A 1 105 ? 2.193 -25.481 -32.979 1.00 19.92 ? 110 HIS A O 1 ATOM 820 C CB . HIS A 1 105 ? 0.900 -28.304 -33.978 1.00 20.98 ? 110 HIS A CB 1 ATOM 821 C CG . HIS A 1 105 ? 1.786 -28.659 -32.839 1.00 20.95 ? 110 HIS A CG 1 ATOM 822 N ND1 . HIS A 1 105 ? 1.344 -28.672 -31.531 1.00 23.11 ? 110 HIS A ND1 1 ATOM 823 C CD2 . HIS A 1 105 ? 3.101 -28.957 -32.799 1.00 24.08 ? 110 HIS A CD2 1 ATOM 824 C CE1 . HIS A 1 105 ? 2.348 -29.017 -30.745 1.00 24.47 ? 110 HIS A CE1 1 ATOM 825 N NE2 . HIS A 1 105 ? 3.423 -29.196 -31.489 1.00 25.14 ? 110 HIS A NE2 1 ATOM 826 N N . LEU A 1 106 ? 2.310 -25.738 -35.209 1.00 20.43 ? 111 LEU A N 1 ATOM 827 C CA . LEU A 1 106 ? 3.457 -24.833 -35.370 1.00 21.78 ? 111 LEU A CA 1 ATOM 828 C C . LEU A 1 106 ? 3.130 -23.473 -34.764 1.00 22.52 ? 111 LEU A C 1 ATOM 829 O O . LEU A 1 106 ? 3.949 -22.866 -34.053 1.00 22.83 ? 111 LEU A O 1 ATOM 830 C CB . LEU A 1 106 ? 3.826 -24.695 -36.864 1.00 21.78 ? 111 LEU A CB 1 ATOM 831 C CG . LEU A 1 106 ? 4.851 -23.582 -37.126 1.00 23.84 ? 111 LEU A CG 1 ATOM 832 C CD1 . LEU A 1 106 ? 6.184 -23.874 -36.460 1.00 24.29 ? 111 LEU A CD1 1 ATOM 833 C CD2 . LEU A 1 106 ? 5.008 -23.340 -38.592 1.00 25.94 ? 111 LEU A CD2 1 ATOM 834 N N . LEU A 1 107 ? 1.926 -23.004 -35.041 1.00 24.32 ? 112 LEU A N 1 ATOM 835 C CA . LEU A 1 107 ? 1.482 -21.684 -34.568 1.00 25.85 ? 112 LEU A CA 1 ATOM 836 C C . LEU A 1 107 ? 1.505 -21.519 -33.040 1.00 27.10 ? 112 LEU A C 1 ATOM 837 O O . LEU A 1 107 ? 1.687 -20.397 -32.528 1.00 27.70 ? 112 LEU A O 1 ATOM 838 C CB . LEU A 1 107 ? 0.130 -21.364 -35.181 1.00 26.52 ? 112 LEU A CB 1 ATOM 839 C CG . LEU A 1 107 ? 0.245 -21.021 -36.660 1.00 27.32 ? 112 LEU A CG 1 ATOM 840 C CD1 . LEU A 1 107 ? -1.154 -20.802 -37.184 1.00 29.92 ? 112 LEU A CD1 1 ATOM 841 C CD2 . LEU A 1 107 ? 1.102 -19.721 -36.881 1.00 29.71 ? 112 LEU A CD2 1 ATOM 842 N N . SER A 1 108 ? 1.431 -22.635 -32.303 1.00 26.23 ? 113 SER A N 1 ATOM 843 C CA . SER A 1 108 ? 1.604 -22.627 -30.833 1.00 27.67 ? 113 SER A CA 1 ATOM 844 C C . SER A 1 108 ? 2.917 -22.124 -30.321 1.00 27.29 ? 113 SER A C 1 ATOM 845 O O . SER A 1 108 ? 3.026 -21.795 -29.136 1.00 28.19 ? 113 SER A O 1 ATOM 846 C CB . SER A 1 108 ? 1.404 -24.029 -30.245 1.00 29.32 ? 113 SER A CB 1 ATOM 847 O OG . SER A 1 108 ? 0.048 -24.355 -30.394 1.00 31.48 ? 113 SER A OG 1 ATOM 848 N N . SER A 1 109 ? 3.941 -22.103 -31.172 1.00 25.32 ? 114 SER A N 1 ATOM 849 C CA . SER A 1 109 ? 5.234 -21.602 -30.733 1.00 24.85 ? 114 SER A CA 1 ATOM 850 C C . SER A 1 109 ? 5.686 -20.393 -31.562 1.00 23.46 ? 114 SER A C 1 ATOM 851 O O . SER A 1 109 ? 6.870 -20.042 -31.527 1.00 23.67 ? 114 SER A O 1 ATOM 852 C CB . SER A 1 109 ? 6.287 -22.711 -30.746 1.00 27.13 ? 114 SER A CB 1 ATOM 853 O OG . SER A 1 109 ? 6.358 -23.351 -32.015 1.00 28.89 ? 114 SER A OG 1 ATOM 854 N N . VAL A 1 110 ? 4.767 -19.836 -32.345 1.00 22.53 ? 115 VAL A N 1 ATOM 855 C CA . VAL A 1 110 ? 5.048 -18.615 -33.153 1.00 21.43 ? 115 VAL A CA 1 ATOM 856 C C . VAL A 1 110 ? 4.216 -17.458 -32.599 1.00 21.25 ? 115 VAL A C 1 ATOM 857 O O . VAL A 1 110 ? 2.995 -17.608 -32.357 1.00 20.60 ? 115 VAL A O 1 ATOM 858 C CB . VAL A 1 110 ? 4.714 -18.806 -34.663 1.00 22.29 ? 115 VAL A CB 1 ATOM 859 C CG1 . VAL A 1 110 ? 4.942 -17.470 -35.450 1.00 20.51 ? 115 VAL A CG1 1 ATOM 860 C CG2 . VAL A 1 110 ? 5.511 -19.964 -35.276 1.00 23.19 ? 115 VAL A CG2 1 ATOM 861 N N . LYS A 1 111 ? 4.875 -16.301 -32.436 1.00 19.57 ? 116 LYS A N 1 ATOM 862 C CA . LYS A 1 111 ? 4.234 -15.113 -31.865 1.00 20.57 ? 116 LYS A CA 1 ATOM 863 C C . LYS A 1 111 ? 4.175 -13.967 -32.884 1.00 19.87 ? 116 LYS A C 1 ATOM 864 O O . LYS A 1 111 ? 3.494 -12.979 -32.649 1.00 19.61 ? 116 LYS A O 1 ATOM 865 C CB . LYS A 1 111 ? 4.997 -14.648 -30.628 1.00 21.63 ? 116 LYS A CB 1 ATOM 866 C CG . LYS A 1 111 ? 4.744 -15.520 -29.378 1.00 24.68 ? 116 LYS A CG 1 ATOM 867 C CD . LYS A 1 111 ? 5.686 -15.022 -28.273 1.00 29.77 ? 116 LYS A CD 1 ATOM 868 C CE . LYS A 1 111 ? 5.148 -15.390 -26.888 1.00 33.22 ? 116 LYS A CE 1 ATOM 869 N NZ . LYS A 1 111 ? 6.200 -15.180 -25.886 1.00 33.97 ? 116 LYS A NZ 1 ATOM 870 N N . HIS A 1 112 A 4.871 -14.115 -34.017 1.00 18.97 ? 116 HIS A N 1 ATOM 871 C CA . HIS A 1 112 A 4.793 -13.097 -35.073 1.00 18.50 ? 116 HIS A CA 1 ATOM 872 C C . HIS A 1 112 A 5.352 -13.621 -36.373 1.00 18.21 ? 116 HIS A C 1 ATOM 873 O O . HIS A 1 112 A 6.290 -14.442 -36.381 1.00 18.55 ? 116 HIS A O 1 ATOM 874 C CB . HIS A 1 112 A 5.583 -11.826 -34.671 1.00 18.32 ? 116 HIS A CB 1 ATOM 875 C CG . HIS A 1 112 A 5.266 -10.611 -35.507 1.00 18.20 ? 116 HIS A CG 1 ATOM 876 N ND1 . HIS A 1 112 A 6.245 -9.754 -35.990 1.00 20.82 ? 116 HIS A ND1 1 ATOM 877 C CD2 . HIS A 1 112 A 4.080 -10.119 -35.953 1.00 20.95 ? 116 HIS A CD2 1 ATOM 878 C CE1 . HIS A 1 112 A 5.667 -8.782 -36.684 1.00 21.94 ? 116 HIS A CE1 1 ATOM 879 N NE2 . HIS A 1 112 A 4.356 -8.988 -36.691 1.00 20.60 ? 116 HIS A NE2 1 ATOM 880 N N . PHE A 1 113 B 4.753 -13.134 -37.464 1.00 17.56 ? 116 PHE A N 1 ATOM 881 C CA . PHE A 1 113 B 5.282 -13.326 -38.826 1.00 17.46 ? 116 PHE A CA 1 ATOM 882 C C . PHE A 1 113 B 5.628 -11.990 -39.447 1.00 18.57 ? 116 PHE A C 1 ATOM 883 O O . PHE A 1 113 B 5.033 -10.959 -39.116 1.00 18.34 ? 116 PHE A O 1 ATOM 884 C CB . PHE A 1 113 B 4.191 -13.908 -39.731 1.00 17.75 ? 116 PHE A CB 1 ATOM 885 C CG . PHE A 1 113 B 3.889 -15.343 -39.494 1.00 17.11 ? 116 PHE A CG 1 ATOM 886 C CD1 . PHE A 1 113 B 4.899 -16.312 -39.532 1.00 20.82 ? 116 PHE A CD1 1 ATOM 887 C CD2 . PHE A 1 113 B 2.559 -15.754 -39.362 1.00 19.74 ? 116 PHE A CD2 1 ATOM 888 C CE1 . PHE A 1 113 B 4.609 -17.664 -39.369 1.00 20.00 ? 116 PHE A CE1 1 ATOM 889 C CE2 . PHE A 1 113 B 2.233 -17.098 -39.142 1.00 19.96 ? 116 PHE A CE2 1 ATOM 890 C CZ . PHE A 1 113 B 3.277 -18.086 -39.172 1.00 21.06 ? 116 PHE A CZ 1 ATOM 891 N N . GLU A 1 114 C 6.567 -12.014 -40.383 1.00 18.69 ? 116 GLU A N 1 ATOM 892 C CA . GLU A 1 114 C 6.734 -10.892 -41.315 1.00 20.14 ? 116 GLU A CA 1 ATOM 893 C C . GLU A 1 114 C 6.367 -11.466 -42.683 1.00 20.45 ? 116 GLU A C 1 ATOM 894 O O . GLU A 1 114 C 6.998 -12.422 -43.158 1.00 18.61 ? 116 GLU A O 1 ATOM 895 C CB . GLU A 1 114 C 8.176 -10.371 -41.318 1.00 19.92 ? 116 GLU A CB 1 ATOM 896 C CG . GLU A 1 114 C 8.498 -9.593 -40.058 1.00 24.81 ? 116 GLU A CG 1 ATOM 897 C CD . GLU A 1 114 C 9.943 -9.081 -40.001 1.00 27.10 ? 116 GLU A CD 1 ATOM 898 O OE1 . GLU A 1 114 C 10.634 -9.021 -41.060 1.00 31.38 ? 116 GLU A OE1 1 ATOM 899 O OE2 . GLU A 1 114 C 10.373 -8.675 -38.881 1.00 35.92 ? 116 GLU A OE2 1 ATOM 900 N N . LYS A 1 115 ? 5.329 -10.907 -43.315 1.00 20.32 ? 117 LYS A N 1 ATOM 901 C CA . LYS A 1 115 ? 4.946 -11.400 -44.631 1.00 21.58 ? 117 LYS A CA 1 ATOM 902 C C . LYS A 1 115 ? 5.882 -10.766 -45.657 1.00 20.80 ? 117 LYS A C 1 ATOM 903 O O . LYS A 1 115 ? 6.058 -9.534 -45.694 1.00 22.83 ? 117 LYS A O 1 ATOM 904 C CB . LYS A 1 115 ? 3.449 -11.095 -44.893 1.00 21.33 ? 117 LYS A CB 1 ATOM 905 C CG . LYS A 1 115 ? 2.812 -11.928 -46.031 1.00 22.82 ? 117 LYS A CG 1 ATOM 906 C CD . LYS A 1 115 ? 1.257 -11.707 -46.107 1.00 23.20 ? 117 LYS A CD 1 ATOM 907 C CE . LYS A 1 115 ? 0.910 -10.358 -46.708 1.00 23.22 ? 117 LYS A CE 1 ATOM 908 N NZ . LYS A 1 115 ? -0.599 -10.278 -46.882 1.00 17.82 ? 117 LYS A NZ 1 ATOM 909 N N . VAL A 1 116 ? 6.487 -11.593 -46.486 1.00 18.71 ? 118 VAL A N 1 ATOM 910 C CA . VAL A 1 116 ? 7.530 -11.173 -47.422 1.00 19.87 ? 118 VAL A CA 1 ATOM 911 C C . VAL A 1 116 ? 7.059 -11.489 -48.844 1.00 19.61 ? 118 VAL A C 1 ATOM 912 O O . VAL A 1 116 ? 6.596 -12.616 -49.111 1.00 18.99 ? 118 VAL A O 1 ATOM 913 C CB . VAL A 1 116 ? 8.852 -11.923 -47.113 1.00 19.67 ? 118 VAL A CB 1 ATOM 914 C CG1 . VAL A 1 116 ? 9.919 -11.741 -48.215 1.00 22.77 ? 118 VAL A CG1 1 ATOM 915 C CG2 . VAL A 1 116 ? 9.383 -11.490 -45.737 1.00 21.90 ? 118 VAL A CG2 1 ATOM 916 N N . LYS A 1 117 ? 7.169 -10.503 -49.741 1.00 18.28 ? 119 LYS A N 1 ATOM 917 C CA . LYS A 1 117 ? 6.721 -10.738 -51.135 1.00 19.60 ? 119 LYS A CA 1 ATOM 918 C C . LYS A 1 117 ? 7.765 -11.508 -51.939 1.00 20.23 ? 119 LYS A C 1 ATOM 919 O O . LYS A 1 117 ? 8.585 -10.928 -52.709 1.00 22.60 ? 119 LYS A O 1 ATOM 920 C CB . LYS A 1 117 ? 6.275 -9.412 -51.828 1.00 19.25 ? 119 LYS A CB 1 ATOM 921 C CG . LYS A 1 117 ? 5.561 -9.683 -53.164 1.00 21.35 ? 119 LYS A CG 1 ATOM 922 C CD . LYS A 1 117 ? 5.268 -8.401 -53.921 1.00 22.73 ? 119 LYS A CD 1 ATOM 923 C CE . LYS A 1 117 ? 4.158 -7.626 -53.316 1.00 24.37 ? 119 LYS A CE 1 ATOM 924 N NZ . LYS A 1 117 ? 4.142 -6.275 -54.026 1.00 26.80 ? 119 LYS A NZ 1 ATOM 925 N N . ILE A 1 118 ? 7.704 -12.827 -51.818 1.00 19.67 ? 120 ILE A N 1 ATOM 926 C CA . ILE A 1 118 ? 8.728 -13.704 -52.363 1.00 19.86 ? 120 ILE A CA 1 ATOM 927 C C . ILE A 1 118 ? 8.661 -13.921 -53.880 1.00 19.60 ? 120 ILE A C 1 ATOM 928 O O . ILE A 1 118 ? 9.691 -14.181 -54.517 1.00 20.56 ? 120 ILE A O 1 ATOM 929 C CB . ILE A 1 118 ? 8.737 -15.099 -51.633 1.00 18.90 ? 120 ILE A CB 1 ATOM 930 C CG1 . ILE A 1 118 ? 7.397 -15.824 -51.785 1.00 20.23 ? 120 ILE A CG1 1 ATOM 931 C CG2 . ILE A 1 118 ? 9.081 -14.925 -50.162 1.00 21.75 ? 120 ILE A CG2 1 ATOM 932 C CD1 . ILE A 1 118 ? 7.428 -17.344 -51.278 1.00 20.45 ? 120 ILE A CD1 1 ATOM 933 N N . LEU A 1 119 ? 7.458 -13.876 -54.460 1.00 18.74 ? 121 LEU A N 1 ATOM 934 C CA . LEU A 1 119 ? 7.274 -14.187 -55.871 1.00 18.46 ? 121 LEU A CA 1 ATOM 935 C C . LEU A 1 119 ? 6.300 -13.183 -56.435 1.00 19.83 ? 121 LEU A C 1 ATOM 936 O O . LEU A 1 119 ? 5.128 -13.484 -56.664 1.00 18.88 ? 121 LEU A O 1 ATOM 937 C CB . LEU A 1 119 ? 6.757 -15.621 -56.082 1.00 19.00 ? 121 LEU A CB 1 ATOM 938 C CG . LEU A 1 119 ? 7.810 -16.709 -55.840 1.00 20.58 ? 121 LEU A CG 1 ATOM 939 C CD1 . LEU A 1 119 ? 7.055 -18.040 -55.711 1.00 23.85 ? 121 LEU A CD1 1 ATOM 940 C CD2 . LEU A 1 119 ? 8.795 -16.748 -56.993 1.00 24.11 ? 121 LEU A CD2 1 ATOM 941 N N . PRO A 1 120 ? 6.757 -11.942 -56.598 1.00 20.83 ? 122 PRO A N 1 ATOM 942 C CA . PRO A 1 120 ? 5.837 -10.871 -56.974 1.00 22.13 ? 122 PRO A CA 1 ATOM 943 C C . PRO A 1 120 ? 5.029 -11.245 -58.212 1.00 22.65 ? 122 PRO A C 1 ATOM 944 O O . PRO A 1 120 ? 5.588 -11.771 -59.171 1.00 23.33 ? 122 PRO A O 1 ATOM 945 C CB . PRO A 1 120 ? 6.779 -9.706 -57.287 1.00 21.97 ? 122 PRO A CB 1 ATOM 946 C CG . PRO A 1 120 ? 7.968 -9.977 -56.470 1.00 23.32 ? 122 PRO A CG 1 ATOM 947 C CD . PRO A 1 120 ? 8.137 -11.463 -56.395 1.00 22.24 ? 122 PRO A CD 1 ATOM 948 N N . LYS A 1 121 ? 3.733 -10.978 -58.162 1.00 23.70 ? 123 LYS A N 1 ATOM 949 C CA . LYS A 1 121 ? 2.760 -11.419 -59.179 1.00 27.37 ? 123 LYS A CA 1 ATOM 950 C C . LYS A 1 121 ? 3.079 -10.875 -60.571 1.00 27.71 ? 123 LYS A C 1 ATOM 951 O O . LYS A 1 121 ? 2.900 -11.566 -61.575 1.00 27.96 ? 123 LYS A O 1 ATOM 952 C CB . LYS A 1 121 ? 1.360 -10.968 -58.732 1.00 27.33 ? 123 LYS A CB 1 ATOM 953 C CG . LYS A 1 121 ? 0.177 -11.345 -59.623 1.00 30.37 ? 123 LYS A CG 1 ATOM 954 C CD . LYS A 1 121 ? -1.147 -11.416 -58.809 1.00 29.21 ? 123 LYS A CD 1 ATOM 955 C CE . LYS A 1 121 ? -1.487 -10.135 -58.049 1.00 30.82 ? 123 LYS A CE 1 ATOM 956 N NZ . LYS A 1 121 ? -2.774 -10.273 -57.282 1.00 28.81 ? 123 LYS A NZ 1 ATOM 957 N N . ASP A 1 122 ? 3.558 -9.635 -60.620 1.00 28.67 ? 125 ASP A N 1 ATOM 958 C CA . ASP A 1 122 ? 3.840 -8.969 -61.897 1.00 30.77 ? 125 ASP A CA 1 ATOM 959 C C . ASP A 1 122 ? 4.980 -9.597 -62.700 1.00 31.14 ? 125 ASP A C 1 ATOM 960 O O . ASP A 1 122 ? 5.171 -9.243 -63.867 1.00 31.90 ? 125 ASP A O 1 ATOM 961 C CB . ASP A 1 122 ? 4.039 -7.448 -61.711 1.00 30.79 ? 125 ASP A CB 1 ATOM 962 C CG . ASP A 1 122 ? 5.304 -7.087 -60.924 1.00 34.56 ? 125 ASP A CG 1 ATOM 963 O OD1 . ASP A 1 122 ? 5.988 -7.959 -60.354 1.00 36.59 ? 125 ASP A OD1 1 ATOM 964 O OD2 . ASP A 1 122 ? 5.624 -5.883 -60.868 1.00 38.99 ? 125 ASP A OD2 1 ATOM 965 N N . ARG A 1 123 ? 5.712 -10.533 -62.094 1.00 31.90 ? 126 ARG A N 1 ATOM 966 C CA . ARG A 1 123 ? 6.819 -11.225 -62.744 1.00 32.33 ? 126 ARG A CA 1 ATOM 967 C C . ARG A 1 123 ? 6.383 -12.458 -63.568 1.00 32.30 ? 126 ARG A C 1 ATOM 968 O O . ARG A 1 123 ? 7.222 -13.073 -64.236 1.00 32.05 ? 126 ARG A O 1 ATOM 969 C CB . ARG A 1 123 ? 7.923 -11.609 -61.735 1.00 33.77 ? 126 ARG A CB 1 ATOM 970 C CG . ARG A 1 123 ? 8.728 -10.413 -61.102 1.00 36.18 ? 126 ARG A CG 1 ATOM 971 C CD . ARG A 1 123 ? 9.892 -9.948 -61.973 1.00 43.64 ? 126 ARG A CD 1 ATOM 972 N NE . ARG A 1 123 ? 10.597 -8.793 -61.399 1.00 47.36 ? 126 ARG A NE 1 ATOM 973 C CZ . ARG A 1 123 ? 11.803 -8.360 -61.784 1.00 48.98 ? 126 ARG A CZ 1 ATOM 974 N NH1 . ARG A 1 123 ? 12.479 -8.984 -62.748 1.00 50.51 ? 126 ARG A NH1 1 ATOM 975 N NH2 . ARG A 1 123 ? 12.340 -7.299 -61.197 1.00 48.32 ? 126 ARG A NH2 1 ATOM 976 N N . TRP A 1 124 ? 5.099 -12.825 -63.487 1.00 30.72 ? 127 TRP A N 1 ATOM 977 C CA . TRP A 1 124 ? 4.512 -13.886 -64.318 1.00 30.76 ? 127 TRP A CA 1 ATOM 978 C C . TRP A 1 124 ? 3.995 -13.250 -65.620 1.00 32.03 ? 127 TRP A C 1 ATOM 979 O O . TRP A 1 124 ? 2.776 -13.119 -65.845 1.00 32.86 ? 127 TRP A O 1 ATOM 980 C CB . TRP A 1 124 ? 3.335 -14.585 -63.615 1.00 28.50 ? 127 TRP A CB 1 ATOM 981 C CG . TRP A 1 124 ? 3.643 -15.332 -62.340 1.00 25.35 ? 127 TRP A CG 1 ATOM 982 C CD1 . TRP A 1 124 ? 3.200 -15.007 -61.061 1.00 23.29 ? 127 TRP A CD1 1 ATOM 983 C CD2 . TRP A 1 124 ? 4.385 -16.551 -62.201 1.00 23.91 ? 127 TRP A CD2 1 ATOM 984 N NE1 . TRP A 1 124 ? 3.658 -15.931 -60.172 1.00 19.12 ? 127 TRP A NE1 1 ATOM 985 C CE2 . TRP A 1 124 ? 4.371 -16.897 -60.826 1.00 21.32 ? 127 TRP A CE2 1 ATOM 986 C CE3 . TRP A 1 124 ? 5.071 -17.390 -63.102 1.00 23.23 ? 127 TRP A CE3 1 ATOM 987 C CZ2 . TRP A 1 124 ? 5.034 -18.035 -60.326 1.00 24.55 ? 127 TRP A CZ2 1 ATOM 988 C CZ3 . TRP A 1 124 ? 5.726 -18.532 -62.599 1.00 24.50 ? 127 TRP A CZ3 1 ATOM 989 C CH2 . TRP A 1 124 ? 5.694 -18.844 -61.231 1.00 25.34 ? 127 TRP A CH2 1 ATOM 990 N N . THR A 1 125 ? 4.933 -12.840 -66.465 1.00 33.71 ? 128 THR A N 1 ATOM 991 C CA . THR A 1 125 ? 4.602 -12.118 -67.686 1.00 35.43 ? 128 THR A CA 1 ATOM 992 C C . THR A 1 125 ? 4.039 -13.010 -68.808 1.00 36.16 ? 128 THR A C 1 ATOM 993 O O . THR A 1 125 ? 3.433 -12.497 -69.768 1.00 37.61 ? 128 THR A O 1 ATOM 994 C CB . THR A 1 125 ? 5.821 -11.330 -68.192 1.00 34.65 ? 128 THR A CB 1 ATOM 995 O OG1 . THR A 1 125 ? 6.972 -12.184 -68.191 1.00 35.85 ? 128 THR A OG1 1 ATOM 996 C CG2 . THR A 1 125 ? 6.078 -10.133 -67.278 1.00 34.56 ? 128 THR A CG2 1 ATOM 997 N N . GLN A 1 126 ? 4.244 -14.322 -68.689 1.00 36.65 ? 129 GLN A N 1 ATOM 998 C CA . GLN A 1 126 ? 3.828 -15.288 -69.708 1.00 37.09 ? 129 GLN A CA 1 ATOM 999 C C . GLN A 1 126 ? 2.453 -15.909 -69.418 1.00 36.22 ? 129 GLN A C 1 ATOM 1000 O O . GLN A 1 126 ? 1.962 -16.722 -70.208 1.00 36.48 ? 129 GLN A O 1 ATOM 1001 C CB . GLN A 1 126 ? 4.886 -16.389 -69.873 1.00 37.28 ? 129 GLN A CB 1 ATOM 1002 C CG . GLN A 1 126 ? 6.111 -16.006 -70.715 1.00 39.31 ? 129 GLN A CG 1 ATOM 1003 C CD . GLN A 1 126 ? 7.067 -17.188 -70.931 1.00 40.24 ? 129 GLN A CD 1 ATOM 1004 O OE1 . GLN A 1 126 ? 7.818 -17.574 -70.024 1.00 44.91 ? 129 GLN A OE1 1 ATOM 1005 N NE2 . GLN A 1 126 ? 7.045 -17.763 -72.135 1.00 43.02 ? 129 GLN A NE2 1 ATOM 1006 N N . HIS A 1 127 ? 1.845 -15.516 -68.294 1.00 34.87 ? 130 HIS A N 1 ATOM 1007 C CA . HIS A 1 127 ? 0.564 -16.072 -67.832 1.00 33.91 ? 130 HIS A CA 1 ATOM 1008 C C . HIS A 1 127 ? -0.372 -14.974 -67.345 1.00 33.87 ? 130 HIS A C 1 ATOM 1009 O O . HIS A 1 127 ? 0.070 -13.899 -66.924 1.00 34.30 ? 130 HIS A O 1 ATOM 1010 C CB . HIS A 1 127 ? 0.777 -17.078 -66.684 1.00 33.30 ? 130 HIS A CB 1 ATOM 1011 C CG . HIS A 1 127 ? 1.641 -18.246 -67.036 1.00 31.06 ? 130 HIS A CG 1 ATOM 1012 N ND1 . HIS A 1 127 ? 3.017 -18.166 -67.079 1.00 29.30 ? 130 HIS A ND1 1 ATOM 1013 C CD2 . HIS A 1 127 ? 1.333 -19.530 -67.338 1.00 30.64 ? 130 HIS A CD2 1 ATOM 1014 C CE1 . HIS A 1 127 ? 3.518 -19.344 -67.400 1.00 29.07 ? 130 HIS A CE1 1 ATOM 1015 N NE2 . HIS A 1 127 ? 2.517 -20.193 -67.553 1.00 28.63 ? 130 HIS A NE2 1 ATOM 1016 N N . THR A 1 128 ? -1.674 -15.250 -67.389 1.00 33.39 ? 131 THR A N 1 ATOM 1017 C CA . THR A 1 128 ? -2.671 -14.375 -66.819 1.00 33.24 ? 131 THR A CA 1 ATOM 1018 C C . THR A 1 128 ? -2.661 -14.643 -65.311 1.00 33.07 ? 131 THR A C 1 ATOM 1019 O O . THR A 1 128 ? -2.501 -15.791 -64.891 1.00 32.78 ? 131 THR A O 1 ATOM 1020 C CB . THR A 1 128 ? -4.054 -14.681 -67.399 1.00 33.63 ? 131 THR A CB 1 ATOM 1021 O OG1 . THR A 1 128 ? -4.014 -14.481 -68.824 1.00 35.29 ? 131 THR A OG1 1 ATOM 1022 C CG2 . THR A 1 128 ? -5.104 -13.779 -66.807 1.00 33.69 ? 131 THR A CG2 1 ATOM 1023 N N . THR A 1 129 ? -2.804 -13.585 -64.524 1.00 32.89 ? 132 THR A N 1 ATOM 1024 C CA . THR A 1 129 ? -2.796 -13.690 -63.051 1.00 32.71 ? 132 THR A CA 1 ATOM 1025 C C . THR A 1 129 ? -3.994 -13.000 -62.420 1.00 33.17 ? 132 THR A C 1 ATOM 1026 O O . THR A 1 129 ? -4.137 -12.957 -61.198 1.00 32.68 ? 132 THR A O 1 ATOM 1027 C CB . THR A 1 129 ? -1.517 -13.084 -62.450 1.00 32.59 ? 132 THR A CB 1 ATOM 1028 O OG1 . THR A 1 129 ? -1.464 -11.686 -62.763 1.00 31.31 ? 132 THR A OG1 1 ATOM 1029 C CG2 . THR A 1 129 ? -0.271 -13.788 -62.979 1.00 33.96 ? 132 THR A CG2 1 ATOM 1030 N N . THR A 1 130 ? -4.860 -12.447 -63.254 1.00 33.63 ? 133 THR A N 1 ATOM 1031 C CA . THR A 1 130 ? -6.043 -11.757 -62.776 1.00 33.90 ? 133 THR A CA 1 ATOM 1032 C C . THR A 1 130 ? -7.190 -12.761 -62.568 1.00 33.70 ? 133 THR A C 1 ATOM 1033 O O . THR A 1 130 ? -8.323 -12.357 -62.360 1.00 34.90 ? 133 THR A O 1 ATOM 1034 C CB . THR A 1 130 ? -6.467 -10.600 -63.726 1.00 34.61 ? 133 THR A CB 1 ATOM 1035 O OG1 . THR A 1 130 ? -6.376 -11.053 -65.080 1.00 34.21 ? 133 THR A OG1 1 ATOM 1036 C CG2 . THR A 1 130 ? -5.559 -9.385 -63.558 1.00 34.45 ? 133 THR A CG2 1 ATOM 1037 N N . GLY A 1 131 ? -6.856 -14.057 -62.587 1.00 33.31 ? 134 GLY A N 1 ATOM 1038 C CA . GLY A 1 131 ? -7.784 -15.178 -62.315 1.00 31.29 ? 134 GLY A CA 1 ATOM 1039 C C . GLY A 1 131 ? -8.385 -15.180 -60.917 1.00 29.52 ? 134 GLY A C 1 ATOM 1040 O O . GLY A 1 131 ? -7.673 -15.008 -59.902 1.00 28.75 ? 134 GLY A O 1 ATOM 1041 N N . GLY A 1 132 ? -9.706 -15.406 -60.896 1.00 28.84 ? 135 GLY A N 1 ATOM 1042 C CA . GLY A 1 132 ? -10.526 -15.370 -59.694 1.00 25.69 ? 135 GLY A CA 1 ATOM 1043 C C . GLY A 1 132 ? -11.875 -16.036 -59.873 1.00 23.99 ? 135 GLY A C 1 ATOM 1044 O O . GLY A 1 132 ? -12.206 -16.552 -60.953 1.00 25.25 ? 135 GLY A O 1 ATOM 1045 N N . SER A 1 133 ? -12.658 -16.028 -58.806 1.00 20.57 ? 136 SER A N 1 ATOM 1046 C CA . SER A 1 133 ? -13.901 -16.746 -58.760 1.00 21.06 ? 136 SER A CA 1 ATOM 1047 C C . SER A 1 133 ? -14.966 -15.944 -58.016 1.00 19.74 ? 136 SER A C 1 ATOM 1048 O O . SER A 1 133 ? -14.662 -15.179 -57.093 1.00 19.09 ? 136 SER A O 1 ATOM 1049 C CB . SER A 1 133 ? -13.660 -18.077 -58.014 1.00 19.97 ? 136 SER A CB 1 ATOM 1050 O OG . SER A 1 133 ? -14.890 -18.730 -57.862 1.00 21.98 ? 136 SER A OG 1 ATOM 1051 N N . ARG A 1 134 ? -16.224 -16.117 -58.425 1.00 20.63 ? 137 ARG A N 1 ATOM 1052 C CA . ARG A 1 134 ? -17.324 -15.551 -57.704 1.00 23.57 ? 137 ARG A CA 1 ATOM 1053 C C . ARG A 1 134 ? -17.397 -16.041 -56.256 1.00 22.99 ? 137 ARG A C 1 ATOM 1054 O O . ARG A 1 134 ? -17.974 -15.377 -55.396 1.00 23.78 ? 137 ARG A O 1 ATOM 1055 C CB . ARG A 1 134 ? -18.634 -15.875 -58.443 1.00 24.99 ? 137 ARG A CB 1 ATOM 1056 C CG . ARG A 1 134 ? -18.996 -14.800 -59.418 1.00 31.64 ? 137 ARG A CG 1 ATOM 1057 C CD . ARG A 1 134 ? -20.484 -14.439 -59.278 1.00 39.14 ? 137 ARG A CD 1 ATOM 1058 N NE . ARG A 1 134 ? -20.802 -13.577 -58.121 1.00 46.31 ? 137 ARG A NE 1 ATOM 1059 C CZ . ARG A 1 134 ? -20.095 -12.520 -57.699 1.00 48.27 ? 137 ARG A CZ 1 ATOM 1060 N NH1 . ARG A 1 134 ? -18.985 -12.129 -58.333 1.00 47.69 ? 137 ARG A NH1 1 ATOM 1061 N NH2 . ARG A 1 134 ? -20.519 -11.836 -56.630 1.00 48.71 ? 137 ARG A NH2 1 ATOM 1062 N N . ALA A 1 135 ? -16.812 -17.211 -55.985 1.00 22.55 ? 138 ALA A N 1 ATOM 1063 C CA . ALA A 1 135 ? -16.835 -17.744 -54.625 1.00 22.68 ? 138 ALA A CA 1 ATOM 1064 C C . ALA A 1 135 ? -15.939 -16.930 -53.687 1.00 21.94 ? 138 ALA A C 1 ATOM 1065 O O . ALA A 1 135 ? -16.078 -17.039 -52.450 1.00 22.91 ? 138 ALA A O 1 ATOM 1066 C CB . ALA A 1 135 ? -16.399 -19.210 -54.620 1.00 21.71 ? 138 ALA A CB 1 ATOM 1067 N N . CYS A 1 136 ? -14.989 -16.177 -54.265 1.00 20.73 ? 139 CYS A N 1 ATOM 1068 C CA . CYS A 1 136 ? -14.089 -15.303 -53.505 1.00 20.29 ? 139 CYS A CA 1 ATOM 1069 C C . CYS A 1 136 ? -14.326 -13.850 -53.971 1.00 20.98 ? 139 CYS A C 1 ATOM 1070 O O . CYS A 1 136 ? -13.352 -13.107 -54.180 1.00 20.35 ? 139 CYS A O 1 ATOM 1071 C CB . CYS A 1 136 ? -12.626 -15.615 -53.800 1.00 19.90 ? 139 CYS A CB 1 ATOM 1072 S SG . CYS A 1 136 ? -12.202 -17.359 -53.356 1.00 24.28 ? 139 CYS A SG 1 ATOM 1073 N N . ALA A 1 137 ? -15.588 -13.491 -54.187 1.00 22.79 ? 140 ALA A N 1 ATOM 1074 C CA . ALA A 1 137 ? -15.894 -12.233 -54.888 1.00 24.48 ? 140 ALA A CA 1 ATOM 1075 C C . ALA A 1 137 ? -15.638 -11.063 -53.972 1.00 25.96 ? 140 ALA A C 1 ATOM 1076 O O . ALA A 1 137 ? -15.699 -11.197 -52.749 1.00 27.35 ? 140 ALA A O 1 ATOM 1077 C CB . ALA A 1 137 ? -17.336 -12.201 -55.361 1.00 25.75 ? 140 ALA A CB 1 ATOM 1078 N N . VAL A 1 138 ? -15.339 -9.917 -54.573 1.00 26.45 ? 141 VAL A N 1 ATOM 1079 C CA . VAL A 1 138 ? -15.124 -8.698 -53.830 1.00 26.88 ? 141 VAL A CA 1 ATOM 1080 C C . VAL A 1 138 ? -15.875 -7.638 -54.626 1.00 26.75 ? 141 VAL A C 1 ATOM 1081 O O . VAL A 1 138 ? -15.581 -7.428 -55.799 1.00 25.69 ? 141 VAL A O 1 ATOM 1082 C CB . VAL A 1 138 ? -13.641 -8.353 -53.773 1.00 26.08 ? 141 VAL A CB 1 ATOM 1083 C CG1 . VAL A 1 138 ? -13.418 -6.896 -53.336 1.00 29.71 ? 141 VAL A CG1 1 ATOM 1084 C CG2 . VAL A 1 138 ? -12.923 -9.329 -52.831 1.00 27.21 ? 141 VAL A CG2 1 ATOM 1085 N N . SER A 1 139 ? -16.860 -7.022 -53.980 1.00 27.65 ? 142 SER A N 1 ATOM 1086 C CA . SER A 1 139 ? -17.641 -5.975 -54.604 1.00 27.99 ? 142 SER A CA 1 ATOM 1087 C C . SER A 1 139 ? -18.348 -6.497 -55.834 1.00 28.23 ? 142 SER A C 1 ATOM 1088 O O . SER A 1 139 ? -18.432 -5.821 -56.873 1.00 28.49 ? 142 SER A O 1 ATOM 1089 C CB . SER A 1 139 ? -16.733 -4.804 -54.932 1.00 28.98 ? 142 SER A CB 1 ATOM 1090 O OG . SER A 1 139 ? -16.285 -4.235 -53.722 1.00 29.04 ? 142 SER A OG 1 ATOM 1091 N N . GLY A 1 140 ? -18.850 -7.720 -55.709 1.00 27.38 ? 143 GLY A N 1 ATOM 1092 C CA . GLY A 1 140 ? -19.621 -8.319 -56.762 1.00 28.16 ? 143 GLY A CA 1 ATOM 1093 C C . GLY A 1 140 ? -18.818 -8.796 -57.950 1.00 26.93 ? 143 GLY A C 1 ATOM 1094 O O . GLY A 1 140 ? -19.415 -9.253 -58.937 1.00 28.80 ? 143 GLY A O 1 ATOM 1095 N N . ASN A 1 141 ? -17.491 -8.685 -57.892 1.00 25.53 ? 144 ASN A N 1 ATOM 1096 C CA . ASN A 1 141 ? -16.672 -9.202 -58.980 1.00 23.79 ? 144 ASN A CA 1 ATOM 1097 C C . ASN A 1 141 ? -15.797 -10.373 -58.556 1.00 21.98 ? 144 ASN A C 1 ATOM 1098 O O . ASN A 1 141 ? -15.330 -10.414 -57.427 1.00 21.12 ? 144 ASN A O 1 ATOM 1099 C CB . ASN A 1 141 ? -15.808 -8.140 -59.609 1.00 24.27 ? 144 ASN A CB 1 ATOM 1100 C CG . ASN A 1 141 ? -16.647 -7.122 -60.381 1.00 28.30 ? 144 ASN A CG 1 ATOM 1101 O OD1 . ASN A 1 141 ? -16.860 -6.014 -59.908 1.00 33.69 ? 144 ASN A OD1 1 ATOM 1102 N ND2 . ASN A 1 141 ? -17.174 -7.531 -61.543 1.00 34.04 ? 144 ASN A ND2 1 ATOM 1103 N N . PRO A 1 142 ? -15.577 -11.304 -59.477 1.00 20.46 ? 145 PRO A N 1 ATOM 1104 C CA . PRO A 1 142 ? -14.699 -12.421 -59.135 1.00 18.63 ? 145 PRO A CA 1 ATOM 1105 C C . PRO A 1 142 ? -13.350 -11.936 -58.595 1.00 18.10 ? 145 PRO A C 1 ATOM 1106 O O . PRO A 1 142 ? -12.774 -10.957 -59.110 1.00 19.78 ? 145 PRO A O 1 ATOM 1107 C CB . PRO A 1 142 ? -14.546 -13.150 -60.470 1.00 18.74 ? 145 PRO A CB 1 ATOM 1108 C CG . PRO A 1 142 ? -15.867 -12.898 -61.179 1.00 20.66 ? 145 PRO A CG 1 ATOM 1109 C CD . PRO A 1 142 ? -16.138 -11.439 -60.837 1.00 20.44 ? 145 PRO A CD 1 ATOM 1110 N N . SER A 1 143 ? -12.846 -12.605 -57.562 1.00 16.84 ? 146 SER A N 1 ATOM 1111 C CA . SER A 1 143 ? -11.530 -12.281 -57.013 1.00 16.74 ? 146 SER A CA 1 ATOM 1112 C C . SER A 1 143 ? -10.919 -13.568 -56.452 1.00 16.33 ? 146 SER A C 1 ATOM 1113 O O . SER A 1 143 ? -11.347 -14.681 -56.815 1.00 15.72 ? 146 SER A O 1 ATOM 1114 C CB . SER A 1 143 ? -11.642 -11.162 -55.966 1.00 17.61 ? 146 SER A CB 1 ATOM 1115 O OG . SER A 1 143 ? -10.377 -10.562 -55.732 1.00 22.26 ? 146 SER A OG 1 ATOM 1116 N N . PHE A 1 144 ? -9.927 -13.432 -55.594 1.00 16.59 ? 147 PHE A N 1 ATOM 1117 C CA . PHE A 1 144 ? -9.164 -14.608 -55.172 1.00 16.52 ? 147 PHE A CA 1 ATOM 1118 C C . PHE A 1 144 ? -8.411 -14.296 -53.884 1.00 16.91 ? 147 PHE A C 1 ATOM 1119 O O . PHE A 1 144 ? -8.269 -13.126 -53.495 1.00 17.89 ? 147 PHE A O 1 ATOM 1120 C CB . PHE A 1 144 ? -8.146 -14.997 -56.254 1.00 17.49 ? 147 PHE A CB 1 ATOM 1121 C CG . PHE A 1 144 ? -7.671 -16.450 -56.174 1.00 16.62 ? 147 PHE A CG 1 ATOM 1122 C CD1 . PHE A 1 144 ? -8.582 -17.498 -56.209 1.00 18.71 ? 147 PHE A CD1 1 ATOM 1123 C CD2 . PHE A 1 144 ? -6.310 -16.755 -56.049 1.00 17.21 ? 147 PHE A CD2 1 ATOM 1124 C CE1 . PHE A 1 144 ? -8.146 -18.832 -56.142 1.00 21.19 ? 147 PHE A CE1 1 ATOM 1125 C CE2 . PHE A 1 144 ? -5.885 -18.107 -56.021 1.00 17.20 ? 147 PHE A CE2 1 ATOM 1126 C CZ . PHE A 1 144 ? -6.784 -19.111 -56.055 1.00 19.98 ? 147 PHE A CZ 1 ATOM 1127 N N . PHE A 1 145 ? -7.924 -15.351 -53.251 1.00 16.99 ? 148 PHE A N 1 ATOM 1128 C CA . PHE A 1 145 ? -7.059 -15.255 -52.080 1.00 15.87 ? 148 PHE A CA 1 ATOM 1129 C C . PHE A 1 145 ? -5.960 -14.236 -52.323 1.00 16.31 ? 148 PHE A C 1 ATOM 1130 O O . PHE A 1 145 ? -5.290 -14.279 -53.387 1.00 17.90 ? 148 PHE A O 1 ATOM 1131 C CB . PHE A 1 145 ? -6.399 -16.619 -51.826 1.00 16.29 ? 148 PHE A CB 1 ATOM 1132 C CG . PHE A 1 145 ? -7.381 -17.735 -51.547 1.00 15.33 ? 148 PHE A CG 1 ATOM 1133 C CD1 . PHE A 1 145 ? -7.981 -17.852 -50.293 1.00 16.46 ? 148 PHE A CD1 1 ATOM 1134 C CD2 . PHE A 1 145 ? -7.590 -18.754 -52.508 1.00 16.51 ? 148 PHE A CD2 1 ATOM 1135 C CE1 . PHE A 1 145 ? -8.844 -18.957 -49.995 1.00 19.02 ? 148 PHE A CE1 1 ATOM 1136 C CE2 . PHE A 1 145 ? -8.447 -19.830 -52.249 1.00 16.79 ? 148 PHE A CE2 1 ATOM 1137 C CZ . PHE A 1 145 ? -9.066 -19.949 -50.970 1.00 16.99 ? 148 PHE A CZ 1 ATOM 1138 N N . ARG A 1 146 ? -5.820 -13.289 -51.405 1.00 15.91 ? 149 ARG A N 1 ATOM 1139 C CA . ARG A 1 146 ? -4.947 -12.147 -51.645 1.00 17.03 ? 149 ARG A CA 1 ATOM 1140 C C . ARG A 1 146 ? -3.489 -12.541 -51.694 1.00 16.39 ? 149 ARG A C 1 ATOM 1141 O O . ARG A 1 146 ? -2.685 -11.810 -52.313 1.00 16.59 ? 149 ARG A O 1 ATOM 1142 C CB . ARG A 1 146 ? -5.100 -11.097 -50.556 1.00 18.10 ? 149 ARG A CB 1 ATOM 1143 C CG . ARG A 1 146 ? -6.547 -10.637 -50.350 1.00 23.22 ? 149 ARG A CG 1 ATOM 1144 C CD . ARG A 1 146 ? -6.954 -9.708 -51.339 1.00 28.77 ? 149 ARG A CD 1 ATOM 1145 N NE . ARG A 1 146 ? -8.151 -8.946 -50.935 1.00 26.93 ? 149 ARG A NE 1 ATOM 1146 C CZ . ARG A 1 146 ? -8.782 -8.126 -51.779 1.00 33.62 ? 149 ARG A CZ 1 ATOM 1147 N NH1 . ARG A 1 146 ? -8.357 -8.020 -53.030 1.00 33.90 ? 149 ARG A NH1 1 ATOM 1148 N NH2 . ARG A 1 146 ? -9.835 -7.415 -51.390 1.00 28.26 ? 149 ARG A NH2 1 ATOM 1149 N N . ASN A 1 147 ? -3.152 -13.631 -51.014 1.00 15.20 ? 150 ASN A N 1 ATOM 1150 C CA . ASN A 1 147 ? -1.719 -13.999 -50.882 1.00 16.45 ? 150 ASN A CA 1 ATOM 1151 C C . ASN A 1 147 ? -1.259 -14.980 -51.967 1.00 15.98 ? 150 ASN A C 1 ATOM 1152 O O . ASN A 1 147 ? -0.082 -15.347 -52.016 1.00 16.07 ? 150 ASN A O 1 ATOM 1153 C CB . ASN A 1 147 ? -1.403 -14.513 -49.473 1.00 15.77 ? 150 ASN A CB 1 ATOM 1154 C CG . ASN A 1 147 ? -1.626 -13.462 -48.420 1.00 14.76 ? 150 ASN A CG 1 ATOM 1155 O OD1 . ASN A 1 147 ? -1.412 -12.267 -48.695 1.00 17.07 ? 150 ASN A OD1 1 ATOM 1156 N ND2 . ASN A 1 147 ? -2.012 -13.876 -47.212 1.00 14.51 ? 150 ASN A ND2 1 ATOM 1157 N N . MET A 1 148 ? -2.193 -15.366 -52.832 1.00 16.18 ? 151 MET A N 1 ATOM 1158 C CA . MET A 1 148 ? -1.965 -16.446 -53.788 1.00 15.96 ? 151 MET A CA 1 ATOM 1159 C C . MET A 1 148 ? -2.197 -15.907 -55.195 1.00 16.60 ? 151 MET A C 1 ATOM 1160 O O . MET A 1 148 ? -2.841 -14.860 -55.382 1.00 17.80 ? 151 MET A O 1 ATOM 1161 C CB . MET A 1 148 ? -2.915 -17.635 -53.539 1.00 15.80 ? 151 MET A CB 1 ATOM 1162 C CG . MET A 1 148 ? -2.948 -18.127 -52.080 1.00 17.45 ? 151 MET A CG 1 ATOM 1163 S SD . MET A 1 148 ? -1.315 -18.629 -51.480 1.00 18.31 ? 151 MET A SD 1 ATOM 1164 C CE . MET A 1 148 ? -1.037 -20.097 -52.511 1.00 17.69 ? 151 MET A CE 1 ATOM 1165 N N . VAL A 1 149 ? -1.659 -16.634 -56.171 1.00 16.12 ? 152 VAL A N 1 ATOM 1166 C CA . VAL A 1 149 ? -1.794 -16.286 -57.584 1.00 16.57 ? 152 VAL A CA 1 ATOM 1167 C C . VAL A 1 149 ? -2.336 -17.466 -58.405 1.00 16.38 ? 152 VAL A C 1 ATOM 1168 O O . VAL A 1 149 ? -1.726 -18.539 -58.411 1.00 16.92 ? 152 VAL A O 1 ATOM 1169 C CB . VAL A 1 149 ? -0.437 -15.878 -58.133 1.00 17.43 ? 152 VAL A CB 1 ATOM 1170 C CG1 . VAL A 1 149 ? -0.609 -15.348 -59.572 1.00 18.13 ? 152 VAL A CG1 1 ATOM 1171 C CG2 . VAL A 1 149 ? 0.197 -14.796 -57.219 1.00 18.35 ? 152 VAL A CG2 1 ATOM 1172 N N . TRP A 1 150 ? -3.482 -17.270 -59.075 1.00 16.86 ? 153 TRP A N 1 ATOM 1173 C CA . TRP A 1 150 ? -4.063 -18.315 -59.906 1.00 18.10 ? 153 TRP A CA 1 ATOM 1174 C C . TRP A 1 150 ? -3.557 -18.064 -61.344 1.00 19.44 ? 153 TRP A C 1 ATOM 1175 O O . TRP A 1 150 ? -4.033 -17.152 -62.032 1.00 20.16 ? 153 TRP A O 1 ATOM 1176 C CB . TRP A 1 150 ? -5.577 -18.176 -59.890 1.00 18.03 ? 153 TRP A CB 1 ATOM 1177 C CG . TRP A 1 150 ? -6.315 -19.302 -60.472 1.00 18.03 ? 153 TRP A CG 1 ATOM 1178 C CD1 . TRP A 1 150 ? -5.834 -20.331 -61.260 1.00 19.21 ? 153 TRP A CD1 1 ATOM 1179 C CD2 . TRP A 1 150 ? -7.719 -19.512 -60.342 1.00 19.10 ? 153 TRP A CD2 1 ATOM 1180 N NE1 . TRP A 1 150 ? -6.878 -21.202 -61.584 1.00 19.92 ? 153 TRP A NE1 1 ATOM 1181 C CE2 . TRP A 1 150 ? -8.038 -20.706 -61.041 1.00 18.32 ? 153 TRP A CE2 1 ATOM 1182 C CE3 . TRP A 1 150 ? -8.741 -18.817 -59.674 1.00 19.23 ? 153 TRP A CE3 1 ATOM 1183 C CZ2 . TRP A 1 150 ? -9.347 -21.216 -61.094 1.00 19.83 ? 153 TRP A CZ2 1 ATOM 1184 C CZ3 . TRP A 1 150 ? -10.039 -19.323 -59.722 1.00 20.43 ? 153 TRP A CZ3 1 ATOM 1185 C CH2 . TRP A 1 150 ? -10.328 -20.514 -60.419 1.00 20.11 ? 153 TRP A CH2 1 ATOM 1186 N N . LEU A 1 151 ? -2.591 -18.860 -61.777 1.00 19.31 ? 154 LEU A N 1 ATOM 1187 C CA . LEU A 1 151 ? -1.997 -18.691 -63.112 1.00 21.22 ? 154 LEU A CA 1 ATOM 1188 C C . LEU A 1 151 ? -2.927 -19.372 -64.107 1.00 22.04 ? 154 LEU A C 1 ATOM 1189 O O . LEU A 1 151 ? -3.307 -20.524 -63.910 1.00 22.06 ? 154 LEU A O 1 ATOM 1190 C CB . LEU A 1 151 ? -0.641 -19.392 -63.147 1.00 21.55 ? 154 LEU A CB 1 ATOM 1191 C CG . LEU A 1 151 ? 0.538 -18.630 -62.504 1.00 23.27 ? 154 LEU A CG 1 ATOM 1192 C CD1 . LEU A 1 151 ? 0.453 -18.591 -60.999 1.00 28.02 ? 154 LEU A CD1 1 ATOM 1193 C CD2 . LEU A 1 151 ? 1.787 -19.397 -62.905 1.00 26.65 ? 154 LEU A CD2 1 ATOM 1194 N N . THR A 1 152 ? -3.289 -18.633 -65.156 1.00 24.82 ? 155 THR A N 1 ATOM 1195 C CA . THR A 1 152 ? -4.101 -19.192 -66.245 1.00 27.11 ? 155 THR A CA 1 ATOM 1196 C C . THR A 1 152 ? -3.496 -18.823 -67.612 1.00 29.33 ? 155 THR A C 1 ATOM 1197 O O . THR A 1 152 ? -2.585 -18.007 -67.699 1.00 29.90 ? 155 THR A O 1 ATOM 1198 C CB . THR A 1 152 ? -5.576 -18.737 -66.161 1.00 26.79 ? 155 THR A CB 1 ATOM 1199 O OG1 . THR A 1 152 ? -5.674 -17.312 -66.232 1.00 27.19 ? 155 THR A OG1 1 ATOM 1200 C CG2 . THR A 1 152 ? -6.230 -19.217 -64.849 1.00 25.92 ? 155 THR A CG2 1 ATOM 1201 N N . GLU A 1 153 ? -4.038 -19.439 -68.662 1.00 31.39 ? 156 GLU A N 1 ATOM 1202 C CA . GLU A 1 153 ? -3.703 -19.121 -70.047 1.00 34.03 ? 156 GLU A CA 1 ATOM 1203 C C . GLU A 1 153 ? -3.595 -17.631 -70.358 1.00 34.08 ? 156 GLU A C 1 ATOM 1204 O O . GLU A 1 153 ? -4.409 -16.817 -69.904 1.00 34.25 ? 156 GLU A O 1 ATOM 1205 C CB . GLU A 1 153 ? -4.724 -19.827 -70.966 1.00 34.19 ? 156 GLU A CB 1 ATOM 1206 C CG . GLU A 1 153 ? -4.847 -19.256 -72.362 1.00 38.19 ? 156 GLU A CG 1 ATOM 1207 C CD . GLU A 1 153 ? -5.843 -18.134 -72.447 1.00 40.21 ? 156 GLU A CD 1 ATOM 1208 O OE1 . GLU A 1 153 ? -6.994 -18.303 -71.991 1.00 43.22 ? 156 GLU A OE1 1 ATOM 1209 O OE2 . GLU A 1 153 ? -5.467 -17.076 -72.981 1.00 43.41 ? 156 GLU A OE2 1 ATOM 1210 N N . LYS A 1 154 ? -2.583 -17.286 -71.154 1.00 35.85 ? 157 LYS A N 1 ATOM 1211 C CA . LYS A 1 154 ? -2.460 -15.958 -71.721 1.00 36.87 ? 157 LYS A CA 1 ATOM 1212 C C . LYS A 1 154 ? -2.350 -16.071 -73.246 1.00 37.67 ? 157 LYS A C 1 ATOM 1213 O O . LYS A 1 154 ? -1.449 -16.743 -73.751 1.00 37.48 ? 157 LYS A O 1 ATOM 1214 C CB . LYS A 1 154 ? -1.226 -15.266 -71.175 1.00 37.44 ? 157 LYS A CB 1 ATOM 1215 C CG . LYS A 1 154 ? -1.193 -13.783 -71.470 1.00 38.42 ? 157 LYS A CG 1 ATOM 1216 C CD . LYS A 1 154 ? 0.118 -13.186 -71.010 1.00 40.09 ? 157 LYS A CD 1 ATOM 1217 C CE . LYS A 1 154 ? 0.051 -11.688 -71.045 1.00 42.53 ? 157 LYS A CE 1 ATOM 1218 N NZ . LYS A 1 154 ? 1.376 -11.128 -71.419 1.00 43.27 ? 157 LYS A NZ 1 ATOM 1219 N N . GLY A 1 155 ? -3.268 -15.407 -73.948 1.00 38.57 ? 158 GLY A N 1 ATOM 1220 C CA . GLY A 1 155 ? -3.312 -15.422 -75.414 1.00 39.70 ? 158 GLY A CA 1 ATOM 1221 C C . GLY A 1 155 ? -3.438 -16.833 -75.957 1.00 40.16 ? 158 GLY A C 1 ATOM 1222 O O . GLY A 1 155 ? -2.781 -17.192 -76.938 1.00 41.35 ? 158 GLY A O 1 ATOM 1223 N N . SER A 1 156 ? -4.294 -17.620 -75.310 1.00 40.19 ? 159 SER A N 1 ATOM 1224 C CA . SER A 1 156 ? -4.498 -19.053 -75.588 1.00 40.16 ? 159 SER A CA 1 ATOM 1225 C C . SER A 1 156 ? -3.267 -19.959 -75.420 1.00 39.49 ? 159 SER A C 1 ATOM 1226 O O . SER A 1 156 ? -3.260 -21.087 -75.904 1.00 40.03 ? 159 SER A O 1 ATOM 1227 C CB . SER A 1 156 ? -5.198 -19.292 -76.937 1.00 40.40 ? 159 SER A CB 1 ATOM 1228 O OG . SER A 1 156 ? -5.752 -20.604 -76.971 1.00 41.71 ? 159 SER A OG 1 ATOM 1229 N N . ASN A 1 157 ? -2.250 -19.491 -74.697 1.00 38.82 ? 160 ASN A N 1 ATOM 1230 C CA . ASN A 1 157 ? -1.107 -20.350 -74.341 1.00 37.69 ? 160 ASN A CA 1 ATOM 1231 C C . ASN A 1 157 ? -0.821 -20.398 -72.831 1.00 36.46 ? 160 ASN A C 1 ATOM 1232 O O . ASN A 1 157 ? -1.034 -19.417 -72.132 1.00 37.08 ? 160 ASN A O 1 ATOM 1233 C CB . ASN A 1 157 ? 0.163 -19.887 -75.066 1.00 38.41 ? 160 ASN A CB 1 ATOM 1234 C CG . ASN A 1 157 ? 0.143 -20.199 -76.557 1.00 39.52 ? 160 ASN A CG 1 ATOM 1235 O OD1 . ASN A 1 157 ? -0.025 -21.351 -76.967 1.00 42.36 ? 160 ASN A OD1 1 ATOM 1236 N ND2 . ASN A 1 157 ? 0.339 -19.173 -77.374 1.00 41.67 ? 160 ASN A ND2 1 ATOM 1237 N N . TYR A 1 158 ? -0.325 -21.536 -72.355 1.00 34.63 ? 161 TYR A N 1 ATOM 1238 C CA . TYR A 1 158 ? 0.166 -21.668 -70.972 1.00 33.78 ? 161 TYR A CA 1 ATOM 1239 C C . TYR A 1 158 ? 1.566 -22.285 -71.016 1.00 33.43 ? 161 TYR A C 1 ATOM 1240 O O . TYR A 1 158 ? 1.722 -23.487 -70.898 1.00 33.47 ? 161 TYR A O 1 ATOM 1241 C CB . TYR A 1 158 ? -0.807 -22.497 -70.095 1.00 31.71 ? 161 TYR A CB 1 ATOM 1242 C CG . TYR A 1 158 ? -0.509 -22.521 -68.591 1.00 31.27 ? 161 TYR A CG 1 ATOM 1243 C CD1 . TYR A 1 158 ? -1.393 -21.928 -67.676 1.00 28.69 ? 161 TYR A CD1 1 ATOM 1244 C CD2 . TYR A 1 158 ? 0.634 -23.146 -68.090 1.00 29.63 ? 161 TYR A CD2 1 ATOM 1245 C CE1 . TYR A 1 158 ? -1.151 -21.962 -66.297 1.00 27.93 ? 161 TYR A CE1 1 ATOM 1246 C CE2 . TYR A 1 158 ? 0.918 -23.154 -66.703 1.00 29.45 ? 161 TYR A CE2 1 ATOM 1247 C CZ . TYR A 1 158 ? 0.007 -22.573 -65.818 1.00 27.68 ? 161 TYR A CZ 1 ATOM 1248 O OH . TYR A 1 158 ? 0.268 -22.629 -64.456 1.00 27.36 ? 161 TYR A OH 1 ATOM 1249 N N . PRO A 1 159 ? 2.602 -21.443 -71.201 1.00 33.94 ? 162 PRO A N 1 ATOM 1250 C CA . PRO A 1 159 ? 3.970 -21.981 -71.198 1.00 34.16 ? 162 PRO A CA 1 ATOM 1251 C C . PRO A 1 159 ? 4.383 -22.549 -69.826 1.00 34.53 ? 162 PRO A C 1 ATOM 1252 O O . PRO A 1 159 ? 3.684 -22.321 -68.817 1.00 34.51 ? 162 PRO A O 1 ATOM 1253 C CB . PRO A 1 159 ? 4.824 -20.767 -71.573 1.00 34.31 ? 162 PRO A CB 1 ATOM 1254 C CG . PRO A 1 159 ? 4.026 -19.609 -71.247 1.00 34.88 ? 162 PRO A CG 1 ATOM 1255 C CD . PRO A 1 159 ? 2.578 -19.988 -71.398 1.00 33.54 ? 162 PRO A CD 1 ATOM 1256 N N . VAL A 1 160 ? 5.476 -23.308 -69.779 1.00 33.58 ? 163 VAL A N 1 ATOM 1257 C CA . VAL A 1 160 ? 5.918 -23.901 -68.513 1.00 33.05 ? 163 VAL A CA 1 ATOM 1258 C C . VAL A 1 160 ? 6.178 -22.760 -67.511 1.00 32.28 ? 163 VAL A C 1 ATOM 1259 O O . VAL A 1 160 ? 6.883 -21.807 -67.818 1.00 32.41 ? 163 VAL A O 1 ATOM 1260 C CB . VAL A 1 160 ? 7.157 -24.837 -68.690 1.00 33.42 ? 163 VAL A CB 1 ATOM 1261 C CG1 . VAL A 1 160 ? 7.503 -25.562 -67.380 1.00 33.27 ? 163 VAL A CG1 1 ATOM 1262 C CG2 . VAL A 1 160 ? 6.877 -25.877 -69.773 1.00 34.82 ? 163 VAL A CG2 1 ATOM 1263 N N . ALA A 1 161 ? 5.559 -22.862 -66.337 1.00 31.03 ? 164 ALA A N 1 ATOM 1264 C CA . ALA A 1 161 ? 5.632 -21.812 -65.307 1.00 29.49 ? 164 ALA A CA 1 ATOM 1265 C C . ALA A 1 161 ? 6.736 -22.170 -64.308 1.00 28.07 ? 164 ALA A C 1 ATOM 1266 O O . ALA A 1 161 ? 6.686 -23.209 -63.676 1.00 27.81 ? 164 ALA A O 1 ATOM 1267 C CB . ALA A 1 161 ? 4.289 -21.692 -64.595 1.00 28.74 ? 164 ALA A CB 1 ATOM 1268 N N . LYS A 1 162 ? 7.734 -21.298 -64.152 1.00 27.76 ? 165 LYS A N 1 ATOM 1269 C CA . LYS A 1 162 ? 8.830 -21.589 -63.224 1.00 28.06 ? 165 LYS A CA 1 ATOM 1270 C C . LYS A 1 162 ? 9.002 -20.376 -62.311 1.00 26.47 ? 165 LYS A C 1 ATOM 1271 O O . LYS A 1 162 ? 9.026 -19.245 -62.787 1.00 26.89 ? 165 LYS A O 1 ATOM 1272 C CB . LYS A 1 162 ? 10.159 -21.843 -63.955 1.00 29.07 ? 165 LYS A CB 1 ATOM 1273 C CG . LYS A 1 162 ? 10.065 -22.742 -65.184 1.00 31.11 ? 165 LYS A CG 1 ATOM 1274 C CD . LYS A 1 162 ? 11.421 -22.779 -65.935 1.00 30.79 ? 165 LYS A CD 1 ATOM 1275 C CE . LYS A 1 162 ? 11.248 -23.305 -67.365 1.00 38.86 ? 165 LYS A CE 1 ATOM 1276 N NZ . LYS A 1 162 ? 12.438 -23.029 -68.249 1.00 40.64 ? 165 LYS A NZ 1 ATOM 1277 N N . GLY A 1 163 ? 9.101 -20.621 -61.011 1.00 25.09 ? 166 GLY A N 1 ATOM 1278 C CA . GLY A 1 163 ? 9.473 -19.560 -60.047 1.00 24.09 ? 166 GLY A CA 1 ATOM 1279 C C . GLY A 1 163 ? 10.334 -20.185 -58.968 1.00 23.72 ? 166 GLY A C 1 ATOM 1280 O O . GLY A 1 163 ? 10.187 -21.377 -58.647 1.00 24.38 ? 166 GLY A O 1 ATOM 1281 N N . SER A 1 164 ? 11.266 -19.403 -58.418 1.00 22.29 ? 167 SER A N 1 ATOM 1282 C CA . SER A 1 164 ? 12.056 -19.913 -57.313 1.00 22.85 ? 167 SER A CA 1 ATOM 1283 C C . SER A 1 164 ? 12.397 -18.778 -56.371 1.00 21.78 ? 167 SER A C 1 ATOM 1284 O O . SER A 1 164 ? 12.356 -17.581 -56.764 1.00 20.61 ? 167 SER A O 1 ATOM 1285 C CB . SER A 1 164 ? 13.342 -20.638 -57.791 1.00 23.73 ? 167 SER A CB 1 ATOM 1286 O OG . SER A 1 164 ? 14.336 -19.755 -58.182 1.00 28.40 ? 167 SER A OG 1 ATOM 1287 N N . TYR A 1 165 ? 12.666 -19.155 -55.124 1.00 20.08 ? 168 TYR A N 1 ATOM 1288 C CA . TYR A 1 165 ? 12.962 -18.191 -54.058 1.00 19.51 ? 168 TYR A CA 1 ATOM 1289 C C . TYR A 1 165 ? 13.991 -18.773 -53.096 1.00 18.69 ? 168 TYR A C 1 ATOM 1290 O O . TYR A 1 165 ? 13.781 -19.858 -52.521 1.00 17.19 ? 168 TYR A O 1 ATOM 1291 C CB . TYR A 1 165 ? 11.691 -17.839 -53.257 1.00 18.56 ? 168 TYR A CB 1 ATOM 1292 C CG . TYR A 1 165 ? 12.006 -16.968 -52.048 1.00 18.36 ? 168 TYR A CG 1 ATOM 1293 C CD1 . TYR A 1 165 ? 12.383 -15.631 -52.221 1.00 20.53 ? 168 TYR A CD1 1 ATOM 1294 C CD2 . TYR A 1 165 ? 12.005 -17.493 -50.734 1.00 18.35 ? 168 TYR A CD2 1 ATOM 1295 C CE1 . TYR A 1 165 ? 12.730 -14.826 -51.119 1.00 18.26 ? 168 TYR A CE1 1 ATOM 1296 C CE2 . TYR A 1 165 ? 12.336 -16.690 -49.627 1.00 18.53 ? 168 TYR A CE2 1 ATOM 1297 C CZ . TYR A 1 165 ? 12.707 -15.364 -49.835 1.00 20.02 ? 168 TYR A CZ 1 ATOM 1298 O OH . TYR A 1 165 ? 13.048 -14.589 -48.729 1.00 20.27 ? 168 TYR A OH 1 ATOM 1299 N N . ASN A 1 166 ? 15.081 -18.033 -52.918 1.00 16.74 ? 169 ASN A N 1 ATOM 1300 C CA . ASN A 1 166 ? 16.064 -18.333 -51.906 1.00 17.17 ? 169 ASN A CA 1 ATOM 1301 C C . ASN A 1 166 ? 15.741 -17.573 -50.612 1.00 17.39 ? 169 ASN A C 1 ATOM 1302 O O . ASN A 1 166 ? 15.674 -16.332 -50.610 1.00 17.00 ? 169 ASN A O 1 ATOM 1303 C CB . ASN A 1 166 ? 17.443 -17.934 -52.454 1.00 17.04 ? 169 ASN A CB 1 ATOM 1304 C CG . ASN A 1 166 ? 18.595 -18.338 -51.534 1.00 22.35 ? 169 ASN A CG 1 ATOM 1305 O OD1 . ASN A 1 166 ? 18.404 -18.642 -50.345 1.00 20.15 ? 169 ASN A OD1 1 ATOM 1306 N ND2 . ASN A 1 166 ? 19.832 -18.314 -52.103 1.00 22.21 ? 169 ASN A ND2 1 ATOM 1307 N N . ASN A 1 167 ? 15.523 -18.326 -49.535 1.00 17.10 ? 170 ASN A N 1 ATOM 1308 C CA . ASN A 1 167 ? 15.223 -17.744 -48.236 1.00 16.81 ? 170 ASN A CA 1 ATOM 1309 C C . ASN A 1 167 ? 16.403 -17.013 -47.587 1.00 18.43 ? 170 ASN A C 1 ATOM 1310 O O . ASN A 1 167 ? 17.137 -17.576 -46.783 1.00 18.97 ? 170 ASN A O 1 ATOM 1311 C CB . ASN A 1 167 ? 14.581 -18.781 -47.275 1.00 18.03 ? 170 ASN A CB 1 ATOM 1312 C CG . ASN A 1 167 ? 14.185 -18.146 -45.958 1.00 14.74 ? 170 ASN A CG 1 ATOM 1313 O OD1 . ASN A 1 167 ? 14.217 -16.907 -45.842 1.00 17.62 ? 170 ASN A OD1 1 ATOM 1314 N ND2 . ASN A 1 167 ? 13.770 -18.949 -44.982 1.00 17.00 ? 170 ASN A ND2 1 ATOM 1315 N N . THR A 1 168 ? 16.531 -15.733 -47.937 1.00 18.42 ? 171 THR A N 1 ATOM 1316 C CA . THR A 1 168 ? 17.581 -14.865 -47.399 1.00 19.88 ? 171 THR A CA 1 ATOM 1317 C C . THR A 1 168 ? 16.998 -14.015 -46.256 1.00 20.87 ? 171 THR A C 1 ATOM 1318 O O . THR A 1 168 ? 17.648 -13.093 -45.726 1.00 20.80 ? 171 THR A O 1 ATOM 1319 C CB . THR A 1 168 ? 18.134 -13.966 -48.512 1.00 20.12 ? 171 THR A CB 1 ATOM 1320 O OG1 . THR A 1 168 ? 17.080 -13.171 -49.080 1.00 20.76 ? 171 THR A OG1 1 ATOM 1321 C CG2 . THR A 1 168 ? 18.808 -14.827 -49.619 1.00 21.46 ? 171 THR A CG2 1 ATOM 1322 N N . SER A 1 169 ? 15.786 -14.376 -45.842 1.00 20.52 ? 172 SER A N 1 ATOM 1323 C CA . SER A 1 169 ? 15.026 -13.524 -44.900 1.00 20.13 ? 172 SER A CA 1 ATOM 1324 C C . SER A 1 169 ? 15.575 -13.449 -43.473 1.00 21.55 ? 172 SER A C 1 ATOM 1325 O O . SER A 1 169 ? 15.170 -12.551 -42.707 1.00 22.38 ? 172 SER A O 1 ATOM 1326 C CB . SER A 1 169 ? 13.554 -13.965 -44.858 1.00 19.90 ? 172 SER A CB 1 ATOM 1327 O OG . SER A 1 169 ? 13.450 -15.082 -44.007 1.00 19.74 ? 172 SER A OG 1 ATOM 1328 N N . GLY A 1 170 ? 16.438 -14.396 -43.102 1.00 21.25 ? 173 GLY A N 1 ATOM 1329 C CA . GLY A 1 170 ? 17.017 -14.469 -41.764 1.00 22.34 ? 173 GLY A CA 1 ATOM 1330 C C . GLY A 1 170 ? 16.307 -15.368 -40.759 1.00 23.10 ? 173 GLY A C 1 ATOM 1331 O O . GLY A 1 170 ? 16.755 -15.511 -39.628 1.00 23.51 ? 173 GLY A O 1 ATOM 1332 N N . GLU A 1 171 ? 15.184 -15.962 -41.155 1.00 20.54 ? 174 GLU A N 1 ATOM 1333 C CA . GLU A 1 171 ? 14.508 -16.964 -40.333 1.00 20.80 ? 174 GLU A CA 1 ATOM 1334 C C . GLU A 1 171 ? 13.807 -17.977 -41.241 1.00 19.40 ? 174 GLU A C 1 ATOM 1335 O O . GLU A 1 171 ? 13.689 -17.762 -42.446 1.00 19.23 ? 174 GLU A O 1 ATOM 1336 C CB . GLU A 1 171 ? 13.476 -16.342 -39.356 1.00 21.61 ? 174 GLU A CB 1 ATOM 1337 C CG . GLU A 1 171 ? 13.945 -16.308 -37.880 1.00 28.30 ? 174 GLU A CG 1 ATOM 1338 C CD . GLU A 1 171 ? 13.702 -17.665 -37.148 1.00 33.81 ? 174 GLU A CD 1 ATOM 1339 O OE1 . GLU A 1 171 ? 13.609 -18.738 -37.827 1.00 34.36 ? 174 GLU A OE1 1 ATOM 1340 O OE2 . GLU A 1 171 ? 13.613 -17.655 -35.882 1.00 34.69 ? 174 GLU A OE2 1 ATOM 1341 N N . GLN A 1 172 ? 13.367 -19.076 -40.657 1.00 19.46 ? 175 GLN A N 1 ATOM 1342 C CA . GLN A 1 172 ? 12.570 -20.059 -41.397 1.00 19.10 ? 175 GLN A CA 1 ATOM 1343 C C . GLN A 1 172 ? 11.311 -19.355 -41.884 1.00 19.33 ? 175 GLN A C 1 ATOM 1344 O O . GLN A 1 172 ? 10.811 -18.436 -41.221 1.00 18.65 ? 175 GLN A O 1 ATOM 1345 C CB . GLN A 1 172 ? 12.134 -21.198 -40.502 1.00 21.05 ? 175 GLN A CB 1 ATOM 1346 C CG . GLN A 1 172 ? 13.222 -22.163 -40.094 1.00 26.82 ? 175 GLN A CG 1 ATOM 1347 C CD . GLN A 1 172 ? 12.608 -23.361 -39.383 1.00 31.38 ? 175 GLN A CD 1 ATOM 1348 O OE1 . GLN A 1 172 ? 11.886 -23.193 -38.395 1.00 32.21 ? 175 GLN A OE1 1 ATOM 1349 N NE2 . GLN A 1 172 ? 12.857 -24.564 -39.902 1.00 29.39 ? 175 GLN A NE2 1 ATOM 1350 N N . MET A 1 173 ? 10.827 -19.804 -43.030 1.00 18.02 ? 176 MET A N 1 ATOM 1351 C CA . MET A 1 173 ? 9.680 -19.165 -43.712 1.00 17.60 ? 176 MET A CA 1 ATOM 1352 C C . MET A 1 173 ? 8.608 -20.176 -44.116 1.00 16.97 ? 176 MET A C 1 ATOM 1353 O O . MET A 1 173 ? 8.887 -21.150 -44.818 1.00 17.60 ? 176 MET A O 1 ATOM 1354 C CB . MET A 1 173 ? 10.199 -18.462 -44.960 1.00 17.69 ? 176 MET A CB 1 ATOM 1355 C CG . MET A 1 173 ? 9.078 -17.764 -45.712 1.00 20.25 ? 176 MET A CG 1 ATOM 1356 S SD . MET A 1 173 ? 9.673 -16.906 -47.155 1.00 20.03 ? 176 MET A SD 1 ATOM 1357 C CE . MET A 1 173 ? 10.570 -15.466 -46.533 1.00 21.60 ? 176 MET A CE 1 ATOM 1358 N N . LEU A 1 174 ? 7.382 -19.903 -43.688 1.00 16.94 ? 177 LEU A N 1 ATOM 1359 C CA . LEU A 1 174 ? 6.212 -20.727 -44.012 1.00 17.19 ? 177 LEU A CA 1 ATOM 1360 C C . LEU A 1 174 ? 5.776 -20.303 -45.418 1.00 16.98 ? 177 LEU A C 1 ATOM 1361 O O . LEU A 1 174 ? 5.570 -19.085 -45.695 1.00 16.94 ? 177 LEU A O 1 ATOM 1362 C CB . LEU A 1 174 ? 5.136 -20.412 -42.993 1.00 16.87 ? 177 LEU A CB 1 ATOM 1363 C CG . LEU A 1 174 ? 3.770 -20.992 -43.329 1.00 19.44 ? 177 LEU A CG 1 ATOM 1364 C CD1 . LEU A 1 174 ? 3.840 -22.523 -43.453 1.00 19.97 ? 177 LEU A CD1 1 ATOM 1365 C CD2 . LEU A 1 174 ? 2.688 -20.528 -42.358 1.00 24.47 ? 177 LEU A CD2 1 ATOM 1366 N N . ILE A 1 175 ? 5.692 -21.279 -46.302 1.00 15.41 ? 178 ILE A N 1 ATOM 1367 C CA . ILE A 1 175 ? 5.237 -21.046 -47.694 1.00 15.76 ? 178 ILE A CA 1 ATOM 1368 C C . ILE A 1 175 ? 4.124 -22.020 -48.054 1.00 16.62 ? 178 ILE A C 1 ATOM 1369 O O . ILE A 1 175 ? 4.237 -23.237 -47.764 1.00 16.38 ? 178 ILE A O 1 ATOM 1370 C CB . ILE A 1 175 ? 6.429 -21.126 -48.709 1.00 14.20 ? 178 ILE A CB 1 ATOM 1371 C CG1 . ILE A 1 175 ? 7.540 -20.093 -48.330 1.00 16.08 ? 178 ILE A CG1 1 ATOM 1372 C CG2 . ILE A 1 175 ? 5.928 -21.011 -50.183 1.00 14.83 ? 178 ILE A CG2 1 ATOM 1373 C CD1 . ILE A 1 175 ? 8.777 -20.283 -49.149 1.00 18.46 ? 178 ILE A CD1 1 ATOM 1374 N N . ILE A 1 176 ? 3.019 -21.473 -48.604 1.00 15.44 ? 179 ILE A N 1 ATOM 1375 C CA . ILE A 1 176 ? 1.879 -22.330 -49.031 1.00 15.75 ? 179 ILE A CA 1 ATOM 1376 C C . ILE A 1 176 ? 1.707 -22.303 -50.567 1.00 16.19 ? 179 ILE A C 1 ATOM 1377 O O . ILE A 1 176 ? 1.977 -21.277 -51.221 1.00 16.39 ? 179 ILE A O 1 ATOM 1378 C CB . ILE A 1 176 ? 0.574 -21.822 -48.370 1.00 15.73 ? 179 ILE A CB 1 ATOM 1379 C CG1 . ILE A 1 176 ? 0.760 -21.728 -46.831 1.00 14.57 ? 179 ILE A CG1 1 ATOM 1380 C CG2 . ILE A 1 176 ? -0.615 -22.607 -48.802 1.00 16.64 ? 179 ILE A CG2 1 ATOM 1381 C CD1 . ILE A 1 176 ? -0.183 -20.749 -46.148 1.00 16.40 ? 179 ILE A CD1 1 ATOM 1382 N N . TRP A 1 177 ? 1.287 -23.413 -51.173 1.00 15.75 ? 180 TRP A N 1 ATOM 1383 C CA . TRP A 1 177 ? 0.976 -23.398 -52.606 1.00 16.96 ? 180 TRP A CA 1 ATOM 1384 C C . TRP A 1 177 ? -0.227 -24.346 -52.786 1.00 15.77 ? 180 TRP A C 1 ATOM 1385 O O . TRP A 1 177 ? -0.610 -25.047 -51.840 1.00 16.33 ? 180 TRP A O 1 ATOM 1386 C CB . TRP A 1 177 ? 2.136 -23.888 -53.459 1.00 17.69 ? 180 TRP A CB 1 ATOM 1387 C CG . TRP A 1 177 ? 2.525 -25.335 -53.138 1.00 18.59 ? 180 TRP A CG 1 ATOM 1388 C CD1 . TRP A 1 177 ? 2.094 -26.467 -53.773 1.00 21.67 ? 180 TRP A CD1 1 ATOM 1389 C CD2 . TRP A 1 177 ? 3.380 -25.763 -52.075 1.00 20.64 ? 180 TRP A CD2 1 ATOM 1390 N NE1 . TRP A 1 177 ? 2.648 -27.588 -53.168 1.00 18.63 ? 180 TRP A NE1 1 ATOM 1391 C CE2 . TRP A 1 177 ? 3.441 -27.178 -52.128 1.00 22.23 ? 180 TRP A CE2 1 ATOM 1392 C CE3 . TRP A 1 177 ? 4.115 -25.090 -51.093 1.00 19.67 ? 180 TRP A CE3 1 ATOM 1393 C CZ2 . TRP A 1 177 ? 4.182 -27.928 -51.203 1.00 21.09 ? 180 TRP A CZ2 1 ATOM 1394 C CZ3 . TRP A 1 177 ? 4.893 -25.851 -50.162 1.00 20.13 ? 180 TRP A CZ3 1 ATOM 1395 C CH2 . TRP A 1 177 ? 4.892 -27.251 -50.232 1.00 20.88 ? 180 TRP A CH2 1 ATOM 1396 N N . GLY A 1 178 ? -0.834 -24.314 -53.963 1.00 16.83 ? 181 GLY A N 1 ATOM 1397 C CA . GLY A 1 178 ? -1.980 -25.205 -54.208 1.00 17.20 ? 181 GLY A CA 1 ATOM 1398 C C . GLY A 1 178 ? -1.964 -25.804 -55.620 1.00 17.78 ? 181 GLY A C 1 ATOM 1399 O O . GLY A 1 178 ? -1.190 -25.386 -56.485 1.00 18.46 ? 181 GLY A O 1 ATOM 1400 N N . VAL A 1 179 ? -2.873 -26.751 -55.829 1.00 17.52 ? 182 VAL A N 1 ATOM 1401 C CA . VAL A 1 179 ? -3.157 -27.318 -57.142 1.00 16.37 ? 182 VAL A CA 1 ATOM 1402 C C . VAL A 1 179 ? -4.662 -27.260 -57.354 1.00 16.56 ? 182 VAL A C 1 ATOM 1403 O O . VAL A 1 179 ? -5.420 -27.578 -56.443 1.00 16.47 ? 182 VAL A O 1 ATOM 1404 C CB . VAL A 1 179 ? -2.683 -28.784 -57.221 1.00 17.67 ? 182 VAL A CB 1 ATOM 1405 C CG1 . VAL A 1 179 ? -3.290 -29.657 -56.118 1.00 21.93 ? 182 VAL A CG1 1 ATOM 1406 C CG2 . VAL A 1 179 ? -3.005 -29.371 -58.567 1.00 17.20 ? 182 VAL A CG2 1 ATOM 1407 N N . HIS A 1 180 ? -5.073 -26.800 -58.526 1.00 16.43 ? 183 HIS A N 1 ATOM 1408 C CA . HIS A 1 180 ? -6.506 -26.742 -58.840 1.00 16.32 ? 183 HIS A CA 1 ATOM 1409 C C . HIS A 1 180 ? -6.914 -28.066 -59.460 1.00 16.47 ? 183 HIS A C 1 ATOM 1410 O O . HIS A 1 180 ? -6.295 -28.511 -60.450 1.00 16.75 ? 183 HIS A O 1 ATOM 1411 C CB . HIS A 1 180 ? -6.742 -25.596 -59.800 1.00 17.82 ? 183 HIS A CB 1 ATOM 1412 C CG . HIS A 1 180 ? -8.160 -25.451 -60.233 1.00 18.33 ? 183 HIS A CG 1 ATOM 1413 N ND1 . HIS A 1 180 ? -8.501 -25.055 -61.509 1.00 21.09 ? 183 HIS A ND1 1 ATOM 1414 C CD2 . HIS A 1 180 ? -9.326 -25.609 -59.561 1.00 19.73 ? 183 HIS A CD2 1 ATOM 1415 C CE1 . HIS A 1 180 ? -9.819 -25.013 -61.616 1.00 21.90 ? 183 HIS A CE1 1 ATOM 1416 N NE2 . HIS A 1 180 ? -10.344 -25.332 -60.445 1.00 20.78 ? 183 HIS A NE2 1 ATOM 1417 N N . HIS A 1 181 ? -7.922 -28.675 -58.851 1.00 15.29 ? 184 HIS A N 1 ATOM 1418 C CA . HIS A 1 181 ? -8.569 -29.894 -59.389 1.00 15.83 ? 184 HIS A CA 1 ATOM 1419 C C . HIS A 1 181 ? -9.907 -29.489 -60.035 1.00 16.18 ? 184 HIS A C 1 ATOM 1420 O O . HIS A 1 181 ? -10.888 -29.295 -59.315 1.00 17.36 ? 184 HIS A O 1 ATOM 1421 C CB . HIS A 1 181 ? -8.855 -30.861 -58.243 1.00 17.37 ? 184 HIS A CB 1 ATOM 1422 C CG . HIS A 1 181 ? -7.637 -31.310 -57.513 1.00 18.63 ? 184 HIS A CG 1 ATOM 1423 N ND1 . HIS A 1 181 ? -6.661 -32.083 -58.109 1.00 20.90 ? 184 HIS A ND1 1 ATOM 1424 C CD2 . HIS A 1 181 ? -7.231 -31.102 -56.239 1.00 21.03 ? 184 HIS A CD2 1 ATOM 1425 C CE1 . HIS A 1 181 ? -5.701 -32.334 -57.229 1.00 22.68 ? 184 HIS A CE1 1 ATOM 1426 N NE2 . HIS A 1 181 ? -6.040 -31.784 -56.077 1.00 19.83 ? 184 HIS A NE2 1 ATOM 1427 N N . PRO A 1 182 ? -9.941 -29.340 -61.374 1.00 16.91 ? 185 PRO A N 1 ATOM 1428 C CA . PRO A 1 182 ? -11.184 -28.891 -62.050 1.00 18.42 ? 185 PRO A CA 1 ATOM 1429 C C . PRO A 1 182 ? -12.365 -29.882 -62.016 1.00 19.56 ? 185 PRO A C 1 ATOM 1430 O O . PRO A 1 182 ? -12.215 -31.026 -61.627 1.00 18.63 ? 185 PRO A O 1 ATOM 1431 C CB . PRO A 1 182 ? -10.736 -28.636 -63.498 1.00 18.35 ? 185 PRO A CB 1 ATOM 1432 C CG . PRO A 1 182 ? -9.217 -28.468 -63.445 1.00 19.76 ? 185 PRO A CG 1 ATOM 1433 C CD . PRO A 1 182 ? -8.814 -29.475 -62.328 1.00 18.07 ? 185 PRO A CD 1 ATOM 1434 N N . ASN A 1 183 ? -13.549 -29.375 -62.351 1.00 21.59 ? 186 ASN A N 1 ATOM 1435 C CA . ASN A 1 183 ? -14.794 -30.150 -62.337 1.00 24.62 ? 186 ASN A CA 1 ATOM 1436 C C . ASN A 1 183 ? -14.887 -30.953 -63.628 1.00 26.58 ? 186 ASN A C 1 ATOM 1437 O O . ASN A 1 183 ? -15.353 -32.121 -63.652 1.00 26.20 ? 186 ASN A O 1 ATOM 1438 C CB . ASN A 1 183 ? -15.967 -29.142 -62.161 1.00 24.96 ? 186 ASN A CB 1 ATOM 1439 C CG . ASN A 1 183 ? -17.351 -29.803 -62.126 1.00 28.08 ? 186 ASN A CG 1 ATOM 1440 O OD1 . ASN A 1 183 ? -17.766 -30.385 -61.121 1.00 29.03 ? 186 ASN A OD1 1 ATOM 1441 N ND2 . ASN A 1 183 ? -18.096 -29.646 -63.211 1.00 33.35 ? 186 ASN A ND2 1 ATOM 1442 N N . ASP A 1 184 ? -14.375 -30.354 -64.700 1.00 28.76 ? 187 ASP A N 1 ATOM 1443 C CA . ASP A 1 184 ? -14.543 -30.921 -66.036 1.00 31.57 ? 187 ASP A CA 1 ATOM 1444 C C . ASP A 1 184 ? -13.444 -30.422 -66.966 1.00 32.65 ? 187 ASP A C 1 ATOM 1445 O O . ASP A 1 184 ? -12.658 -29.535 -66.610 1.00 31.70 ? 187 ASP A O 1 ATOM 1446 C CB . ASP A 1 184 ? -15.949 -30.588 -66.590 1.00 31.39 ? 187 ASP A CB 1 ATOM 1447 C CG . ASP A 1 184 ? -16.216 -29.100 -66.632 1.00 33.49 ? 187 ASP A CG 1 ATOM 1448 O OD1 . ASP A 1 184 ? -15.565 -28.413 -67.437 1.00 33.63 ? 187 ASP A OD1 1 ATOM 1449 O OD2 . ASP A 1 184 ? -17.059 -28.610 -65.843 1.00 37.57 ? 187 ASP A OD2 1 ATOM 1450 N N . GLU A 1 185 ? -13.399 -30.997 -68.162 1.00 33.91 ? 188 GLU A N 1 ATOM 1451 C CA . GLU A 1 185 ? -12.342 -30.671 -69.125 1.00 35.56 ? 188 GLU A CA 1 ATOM 1452 C C . GLU A 1 185 ? -12.554 -29.372 -69.911 1.00 35.71 ? 188 GLU A C 1 ATOM 1453 O O . GLU A 1 185 ? -11.586 -28.765 -70.386 1.00 35.37 ? 188 GLU A O 1 ATOM 1454 C CB . GLU A 1 185 ? -12.048 -31.867 -70.021 1.00 36.61 ? 188 GLU A CB 1 ATOM 1455 C CG . GLU A 1 185 ? -11.781 -33.116 -69.178 1.00 40.81 ? 188 GLU A CG 1 ATOM 1456 C CD . GLU A 1 185 ? -10.585 -33.943 -69.625 1.00 46.78 ? 188 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 185 ? -10.087 -33.744 -70.767 1.00 50.55 ? 188 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 185 ? -10.135 -34.799 -68.815 1.00 48.17 ? 188 GLU A OE2 1 ATOM 1459 N N . THR A 1 186 ? -13.800 -28.923 -70.036 1.00 36.36 ? 189 THR A N 1 ATOM 1460 C CA . THR A 1 186 ? -14.016 -27.596 -70.633 1.00 36.95 ? 189 THR A CA 1 ATOM 1461 C C . THR A 1 186 ? -13.283 -26.566 -69.766 1.00 36.94 ? 189 THR A C 1 ATOM 1462 O O . THR A 1 186 ? -12.551 -25.719 -70.292 1.00 37.45 ? 189 THR A O 1 ATOM 1463 C CB . THR A 1 186 ? -15.515 -27.228 -70.836 1.00 37.17 ? 189 THR A CB 1 ATOM 1464 O OG1 . THR A 1 186 ? -16.125 -26.918 -69.573 1.00 39.01 ? 189 THR A OG1 1 ATOM 1465 C CG2 . THR A 1 186 ? -16.250 -28.371 -71.509 1.00 36.97 ? 189 THR A CG2 1 ATOM 1466 N N . GLU A 1 187 ? -13.436 -26.704 -68.445 1.00 36.35 ? 190 GLU A N 1 ATOM 1467 C CA . GLU A 1 187 ? -12.779 -25.853 -67.440 1.00 36.57 ? 190 GLU A CA 1 ATOM 1468 C C . GLU A 1 187 ? -11.262 -25.894 -67.601 1.00 35.12 ? 190 GLU A C 1 ATOM 1469 O O . GLU A 1 187 ? -10.604 -24.859 -67.675 1.00 35.09 ? 190 GLU A O 1 ATOM 1470 C CB . GLU A 1 187 ? -13.165 -26.342 -66.033 1.00 36.21 ? 190 GLU A CB 1 ATOM 1471 C CG . GLU A 1 187 ? -12.668 -25.522 -64.822 1.00 38.56 ? 190 GLU A CG 1 ATOM 1472 C CD . GLU A 1 187 ? -13.162 -26.118 -63.488 1.00 39.53 ? 190 GLU A CD 1 ATOM 1473 O OE1 . GLU A 1 187 ? -13.778 -27.201 -63.542 1.00 41.53 ? 190 GLU A OE1 1 ATOM 1474 O OE2 . GLU A 1 187 ? -12.927 -25.547 -62.386 1.00 43.39 ? 190 GLU A OE2 1 ATOM 1475 N N . GLN A 1 188 ? -10.726 -27.102 -67.672 1.00 33.74 ? 191 GLN A N 1 ATOM 1476 C CA . GLN A 1 188 ? -9.299 -27.290 -67.806 1.00 33.22 ? 191 GLN A CA 1 ATOM 1477 C C . GLN A 1 188 ? -8.760 -26.592 -69.057 1.00 33.70 ? 191 GLN A C 1 ATOM 1478 O O . GLN A 1 188 ? -7.740 -25.914 -68.992 1.00 32.84 ? 191 GLN A O 1 ATOM 1479 C CB . GLN A 1 188 ? -8.960 -28.778 -67.821 1.00 32.07 ? 191 GLN A CB 1 ATOM 1480 C CG . GLN A 1 188 ? -7.470 -29.108 -68.077 1.00 31.82 ? 191 GLN A CG 1 ATOM 1481 C CD . GLN A 1 188 ? -6.575 -28.826 -66.863 1.00 27.98 ? 191 GLN A CD 1 ATOM 1482 O OE1 . GLN A 1 188 ? -7.028 -28.889 -65.717 1.00 26.71 ? 191 GLN A OE1 1 ATOM 1483 N NE2 . GLN A 1 188 ? -5.296 -28.555 -67.116 1.00 24.38 ? 191 GLN A NE2 1 ATOM 1484 N N . ARG A 1 189 ? -9.430 -26.757 -70.202 1.00 33.74 ? 192 ARG A N 1 ATOM 1485 C CA . ARG A 1 189 ? -8.917 -26.172 -71.434 1.00 34.75 ? 192 ARG A CA 1 ATOM 1486 C C . ARG A 1 189 ? -9.087 -24.650 -71.456 1.00 34.92 ? 192 ARG A C 1 ATOM 1487 O O . ARG A 1 189 ? -8.172 -23.921 -71.864 1.00 35.48 ? 192 ARG A O 1 ATOM 1488 C CB . ARG A 1 189 ? -9.556 -26.826 -72.674 1.00 35.55 ? 192 ARG A CB 1 ATOM 1489 C CG . ARG A 1 189 ? -9.133 -26.187 -73.996 1.00 38.29 ? 192 ARG A CG 1 ATOM 1490 C CD . ARG A 1 189 ? -10.222 -26.301 -75.055 1.00 43.98 ? 192 ARG A CD 1 ATOM 1491 N NE . ARG A 1 189 ? -11.400 -25.526 -74.663 1.00 47.97 ? 192 ARG A NE 1 ATOM 1492 C CZ . ARG A 1 189 ? -12.551 -26.058 -74.261 1.00 49.56 ? 192 ARG A CZ 1 ATOM 1493 N NH1 . ARG A 1 189 ? -12.709 -27.380 -74.224 1.00 50.60 ? 192 ARG A NH1 1 ATOM 1494 N NH2 . ARG A 1 189 ? -13.553 -25.263 -73.914 1.00 50.39 ? 192 ARG A NH2 1 ATOM 1495 N N . THR A 1 190 ? -10.245 -24.161 -71.015 1.00 35.15 ? 193 THR A N 1 ATOM 1496 C CA . THR A 1 190 ? -10.464 -22.715 -70.971 1.00 35.69 ? 193 THR A CA 1 ATOM 1497 C C . THR A 1 190 ? -9.406 -22.020 -70.096 1.00 35.31 ? 193 THR A C 1 ATOM 1498 O O . THR A 1 190 ? -8.892 -20.952 -70.460 1.00 35.40 ? 193 THR A O 1 ATOM 1499 C CB . THR A 1 190 ? -11.865 -22.352 -70.468 1.00 35.93 ? 193 THR A CB 1 ATOM 1500 O OG1 . THR A 1 190 ? -12.089 -22.977 -69.203 1.00 40.46 ? 193 THR A OG1 1 ATOM 1501 C CG2 . THR A 1 190 ? -12.934 -22.831 -71.438 1.00 36.45 ? 193 THR A CG2 1 ATOM 1502 N N . LEU A 1 191 ? -9.091 -22.631 -68.948 1.00 34.73 ? 194 LEU A N 1 ATOM 1503 C CA . LEU A 1 191 ? -8.132 -22.074 -67.988 1.00 33.63 ? 194 LEU A CA 1 ATOM 1504 C C . LEU A 1 191 ? -6.662 -22.299 -68.338 1.00 33.61 ? 194 LEU A C 1 ATOM 1505 O O . LEU A 1 191 ? -5.847 -21.386 -68.172 1.00 33.68 ? 194 LEU A O 1 ATOM 1506 C CB . LEU A 1 191 ? -8.377 -22.654 -66.586 1.00 33.81 ? 194 LEU A CB 1 ATOM 1507 C CG . LEU A 1 191 ? -9.654 -22.231 -65.863 1.00 33.24 ? 194 LEU A CG 1 ATOM 1508 C CD1 . LEU A 1 191 ? -9.743 -22.992 -64.553 1.00 32.87 ? 194 LEU A CD1 1 ATOM 1509 C CD2 . LEU A 1 191 ? -9.692 -20.720 -65.634 1.00 34.94 ? 194 LEU A CD2 1 ATOM 1510 N N . TYR A 1 192 ? -6.318 -23.510 -68.775 1.00 32.70 ? 195 TYR A N 1 ATOM 1511 C CA . TYR A 1 192 ? -4.902 -23.905 -68.876 1.00 33.14 ? 195 TYR A CA 1 ATOM 1512 C C . TYR A 1 192 ? -4.445 -24.307 -70.263 1.00 34.89 ? 195 TYR A C 1 ATOM 1513 O O . TYR A 1 192 ? -3.269 -24.623 -70.441 1.00 35.13 ? 195 TYR A O 1 ATOM 1514 C CB . TYR A 1 192 ? -4.572 -25.037 -67.894 1.00 31.09 ? 195 TYR A CB 1 ATOM 1515 C CG . TYR A 1 192 ? -5.079 -24.727 -66.498 1.00 27.46 ? 195 TYR A CG 1 ATOM 1516 C CD1 . TYR A 1 192 ? -4.525 -23.680 -65.753 1.00 24.94 ? 195 TYR A CD1 1 ATOM 1517 C CD2 . TYR A 1 192 ? -6.118 -25.470 -65.936 1.00 26.80 ? 195 TYR A CD2 1 ATOM 1518 C CE1 . TYR A 1 192 ? -5.009 -23.354 -64.492 1.00 21.33 ? 195 TYR A CE1 1 ATOM 1519 C CE2 . TYR A 1 192 ? -6.604 -25.163 -64.669 1.00 22.79 ? 195 TYR A CE2 1 ATOM 1520 C CZ . TYR A 1 192 ? -6.038 -24.111 -63.952 1.00 26.20 ? 195 TYR A CZ 1 ATOM 1521 O OH . TYR A 1 192 ? -6.509 -23.810 -62.700 1.00 22.86 ? 195 TYR A OH 1 ATOM 1522 N N . GLN A 1 193 ? -5.387 -24.325 -71.212 1.00 36.36 ? 196 GLN A N 1 ATOM 1523 C CA . GLN A 1 193 ? -5.166 -24.839 -72.575 1.00 38.63 ? 196 GLN A CA 1 ATOM 1524 C C . GLN A 1 193 ? -4.616 -26.259 -72.598 1.00 38.96 ? 196 GLN A C 1 ATOM 1525 O O . GLN A 1 193 ? -5.153 -27.121 -73.286 1.00 40.58 ? 196 GLN A O 1 ATOM 1526 C CB . GLN A 1 193 ? -4.290 -23.887 -73.394 1.00 38.55 ? 196 GLN A CB 1 ATOM 1527 C CG . GLN A 1 193 ? -4.897 -22.492 -73.545 1.00 41.59 ? 196 GLN A CG 1 ATOM 1528 C CD . GLN A 1 193 ? -6.279 -22.504 -74.182 1.00 45.22 ? 196 GLN A CD 1 ATOM 1529 O OE1 . GLN A 1 193 ? -6.464 -23.040 -75.279 1.00 48.17 ? 196 GLN A OE1 1 ATOM 1530 N NE2 . GLN A 1 193 ? -7.260 -21.910 -73.498 1.00 46.52 ? 196 GLN A NE2 1 ATOM 1531 N N . ASN A 1 194 ? -3.552 -26.493 -71.837 1.00 39.81 ? 197 ASN A N 1 ATOM 1532 C CA . ASN A 1 194 ? -2.918 -27.801 -71.719 1.00 40.11 ? 197 ASN A CA 1 ATOM 1533 C C . ASN A 1 194 ? -3.759 -28.852 -70.982 1.00 40.23 ? 197 ASN A C 1 ATOM 1534 O O . ASN A 1 194 ? -4.641 -28.532 -70.159 1.00 40.33 ? 197 ASN A O 1 ATOM 1535 C CB . ASN A 1 194 ? -1.535 -27.663 -71.050 1.00 40.62 ? 197 ASN A CB 1 ATOM 1536 C CG . ASN A 1 194 ? -0.687 -26.541 -71.662 1.00 42.08 ? 197 ASN A CG 1 ATOM 1537 O OD1 . ASN A 1 194 ? -0.830 -26.206 -72.845 1.00 42.82 ? 197 ASN A OD1 1 ATOM 1538 N ND2 . ASN A 1 194 ? 0.201 -25.957 -70.854 1.00 42.13 ? 197 ASN A ND2 1 ATOM 1539 N N . VAL A 1 195 ? -3.464 -30.112 -71.290 1.00 39.48 ? 198 VAL A N 1 ATOM 1540 C CA . VAL A 1 195 ? -4.061 -31.265 -70.625 1.00 38.82 ? 198 VAL A CA 1 ATOM 1541 C C . VAL A 1 195 ? -2.935 -32.167 -70.168 1.00 37.68 ? 198 VAL A C 1 ATOM 1542 O O . VAL A 1 195 ? -1.836 -32.107 -70.715 1.00 38.94 ? 198 VAL A O 1 ATOM 1543 C CB . VAL A 1 195 ? -5.037 -32.020 -71.558 1.00 39.46 ? 198 VAL A CB 1 ATOM 1544 C CG1 . VAL A 1 195 ? -6.358 -31.277 -71.631 1.00 39.59 ? 198 VAL A CG1 1 ATOM 1545 C CG2 . VAL A 1 195 ? -4.427 -32.192 -72.972 1.00 39.34 ? 198 VAL A CG2 1 ATOM 1546 N N . GLY A 1 196 ? -3.180 -32.990 -69.160 1.00 36.40 ? 199 GLY A N 1 ATOM 1547 C CA . GLY A 1 196 ? -2.119 -33.838 -68.607 1.00 34.63 ? 199 GLY A CA 1 ATOM 1548 C C . GLY A 1 196 ? -1.015 -32.946 -68.042 1.00 33.66 ? 199 GLY A C 1 ATOM 1549 O O . GLY A 1 196 ? 0.168 -33.106 -68.343 1.00 33.72 ? 199 GLY A O 1 ATOM 1550 N N . THR A 1 197 ? -1.437 -31.996 -67.215 1.00 31.32 ? 200 THR A N 1 ATOM 1551 C CA . THR A 1 197 ? -0.547 -30.998 -66.611 1.00 28.78 ? 200 THR A CA 1 ATOM 1552 C C . THR A 1 197 ? 0.044 -31.516 -65.283 1.00 26.68 ? 200 THR A C 1 ATOM 1553 O O . THR A 1 197 ? -0.331 -32.568 -64.773 1.00 26.61 ? 200 THR A O 1 ATOM 1554 C CB . THR A 1 197 ? -1.356 -29.734 -66.336 1.00 28.67 ? 200 THR A CB 1 ATOM 1555 O OG1 . THR A 1 197 ? -2.418 -30.074 -65.429 1.00 27.29 ? 200 THR A OG1 1 ATOM 1556 C CG2 . THR A 1 197 ? -1.947 -29.178 -67.617 1.00 29.40 ? 200 THR A CG2 1 ATOM 1557 N N . TYR A 1 198 ? 0.940 -30.742 -64.665 1.00 26.71 ? 201 TYR A N 1 ATOM 1558 C CA . TYR A 1 198 ? 1.545 -31.142 -63.404 1.00 25.41 ? 201 TYR A CA 1 ATOM 1559 C C . TYR A 1 198 ? 1.952 -29.893 -62.581 1.00 24.18 ? 201 TYR A C 1 ATOM 1560 O O . TYR A 1 198 ? 2.143 -28.851 -63.165 1.00 24.85 ? 201 TYR A O 1 ATOM 1561 C CB . TYR A 1 198 ? 2.834 -31.950 -63.676 1.00 28.23 ? 201 TYR A CB 1 ATOM 1562 C CG . TYR A 1 198 ? 3.932 -31.182 -64.431 1.00 31.01 ? 201 TYR A CG 1 ATOM 1563 C CD1 . TYR A 1 198 ? 4.916 -30.465 -63.740 1.00 32.90 ? 201 TYR A CD1 1 ATOM 1564 C CD2 . TYR A 1 198 ? 4.007 -31.206 -65.840 1.00 30.21 ? 201 TYR A CD2 1 ATOM 1565 C CE1 . TYR A 1 198 ? 5.923 -29.768 -64.419 1.00 33.22 ? 201 TYR A CE1 1 ATOM 1566 C CE2 . TYR A 1 198 ? 5.011 -30.504 -66.535 1.00 32.02 ? 201 TYR A CE2 1 ATOM 1567 C CZ . TYR A 1 198 ? 5.977 -29.795 -65.820 1.00 33.14 ? 201 TYR A CZ 1 ATOM 1568 O OH . TYR A 1 198 ? 6.975 -29.105 -66.502 1.00 33.04 ? 201 TYR A OH 1 ATOM 1569 N N . VAL A 1 199 ? 2.025 -30.041 -61.265 1.00 24.15 ? 202 VAL A N 1 ATOM 1570 C CA . VAL A 1 199 ? 2.599 -29.014 -60.374 1.00 24.66 ? 202 VAL A CA 1 ATOM 1571 C C . VAL A 1 199 ? 3.705 -29.672 -59.574 1.00 24.37 ? 202 VAL A C 1 ATOM 1572 O O . VAL A 1 199 ? 3.454 -30.552 -58.765 1.00 26.15 ? 202 VAL A O 1 ATOM 1573 C CB . VAL A 1 199 ? 1.584 -28.410 -59.384 1.00 24.87 ? 202 VAL A CB 1 ATOM 1574 C CG1 . VAL A 1 199 ? 2.296 -27.396 -58.490 1.00 23.97 ? 202 VAL A CG1 1 ATOM 1575 C CG2 . VAL A 1 199 ? 0.415 -27.760 -60.156 1.00 23.46 ? 202 VAL A CG2 1 ATOM 1576 N N . SER A 1 200 ? 4.922 -29.167 -59.742 1.00 24.97 ? 203 SER A N 1 ATOM 1577 C CA . SER A 1 200 ? 6.028 -29.695 -58.982 1.00 23.04 ? 203 SER A CA 1 ATOM 1578 C C . SER A 1 200 ? 6.682 -28.656 -58.045 1.00 23.60 ? 203 SER A C 1 ATOM 1579 O O . SER A 1 200 ? 6.833 -27.490 -58.431 1.00 22.22 ? 203 SER A O 1 ATOM 1580 C CB . SER A 1 200 ? 7.069 -30.230 -59.965 1.00 26.00 ? 203 SER A CB 1 ATOM 1581 O OG . SER A 1 200 ? 8.139 -30.762 -59.228 1.00 30.53 ? 203 SER A OG 1 ATOM 1582 N N . VAL A 1 201 ? 7.031 -29.076 -56.830 1.00 22.57 ? 204 VAL A N 1 ATOM 1583 C CA . VAL A 1 201 ? 7.657 -28.207 -55.817 1.00 23.12 ? 204 VAL A CA 1 ATOM 1584 C C . VAL A 1 201 ? 8.864 -28.962 -55.246 1.00 23.45 ? 204 VAL A C 1 ATOM 1585 O O . VAL A 1 201 ? 8.772 -30.183 -54.940 1.00 23.35 ? 204 VAL A O 1 ATOM 1586 C CB . VAL A 1 201 ? 6.667 -27.860 -54.700 1.00 23.80 ? 204 VAL A CB 1 ATOM 1587 C CG1 . VAL A 1 201 ? 7.278 -26.867 -53.689 1.00 24.75 ? 204 VAL A CG1 1 ATOM 1588 C CG2 . VAL A 1 201 ? 5.342 -27.356 -55.302 1.00 23.97 ? 204 VAL A CG2 1 ATOM 1589 N N . GLY A 1 202 ? 9.982 -28.251 -55.084 1.00 22.50 ? 205 GLY A N 1 ATOM 1590 C CA . GLY A 1 202 ? 11.216 -28.904 -54.604 1.00 21.64 ? 205 GLY A CA 1 ATOM 1591 C C . GLY A 1 202 ? 12.038 -27.929 -53.799 1.00 21.06 ? 205 GLY A C 1 ATOM 1592 O O . GLY A 1 202 ? 12.170 -26.741 -54.186 1.00 20.75 ? 205 GLY A O 1 ATOM 1593 N N . THR A 1 203 ? 12.473 -28.405 -52.644 1.00 19.93 ? 206 THR A N 1 ATOM 1594 C CA . THR A 1 203 ? 13.491 -27.748 -51.829 1.00 20.17 ? 206 THR A CA 1 ATOM 1595 C C . THR A 1 203 ? 14.629 -28.755 -51.592 1.00 19.63 ? 206 THR A C 1 ATOM 1596 O O . THR A 1 203 ? 14.698 -29.780 -52.301 1.00 19.45 ? 206 THR A O 1 ATOM 1597 C CB . THR A 1 203 ? 12.930 -27.267 -50.473 1.00 19.21 ? 206 THR A CB 1 ATOM 1598 O OG1 . THR A 1 203 ? 12.684 -28.404 -49.610 1.00 21.66 ? 206 THR A OG1 1 ATOM 1599 C CG2 . THR A 1 203 ? 11.629 -26.396 -50.659 1.00 20.30 ? 206 THR A CG2 1 ATOM 1600 N N . SER A 1 204 ? 15.503 -28.464 -50.630 1.00 19.01 ? 207 SER A N 1 ATOM 1601 C CA A SER A 1 204 ? 16.608 -29.377 -50.343 0.50 19.72 ? 207 SER A CA 1 ATOM 1602 C CA B SER A 1 204 ? 16.606 -29.376 -50.319 0.50 20.39 ? 207 SER A CA 1 ATOM 1603 C C . SER A 1 204 ? 16.047 -30.678 -49.764 1.00 21.18 ? 207 SER A C 1 ATOM 1604 O O . SER A 1 204 ? 16.642 -31.728 -49.937 1.00 20.82 ? 207 SER A O 1 ATOM 1605 C CB A SER A 1 204 ? 17.635 -28.735 -49.406 0.50 19.66 ? 207 SER A CB 1 ATOM 1606 C CB B SER A 1 204 ? 17.576 -28.750 -49.321 0.50 20.42 ? 207 SER A CB 1 ATOM 1607 O OG A SER A 1 204 ? 18.475 -27.803 -50.091 0.50 15.69 ? 207 SER A OG 1 ATOM 1608 O OG B SER A 1 204 ? 16.954 -28.498 -48.071 0.50 20.61 ? 207 SER A OG 1 ATOM 1609 N N . THR A 1 205 ? 14.877 -30.589 -49.123 1.00 22.46 ? 208 THR A N 1 ATOM 1610 C CA . THR A 1 205 ? 14.287 -31.738 -48.419 1.00 26.00 ? 208 THR A CA 1 ATOM 1611 C C . THR A 1 205 ? 12.915 -32.163 -48.945 1.00 26.02 ? 208 THR A C 1 ATOM 1612 O O . THR A 1 205 ? 12.515 -33.312 -48.760 1.00 28.07 ? 208 THR A O 1 ATOM 1613 C CB . THR A 1 205 ? 14.184 -31.479 -46.889 1.00 26.48 ? 208 THR A CB 1 ATOM 1614 O OG1 . THR A 1 205 ? 13.419 -30.280 -46.656 1.00 30.17 ? 208 THR A OG1 1 ATOM 1615 C CG2 . THR A 1 205 ? 15.522 -31.350 -46.261 1.00 28.68 ? 208 THR A CG2 1 ATOM 1616 N N . LEU A 1 206 ? 12.184 -31.277 -49.611 1.00 25.04 ? 209 LEU A N 1 ATOM 1617 C CA . LEU A 1 206 ? 10.862 -31.621 -50.099 1.00 25.64 ? 209 LEU A CA 1 ATOM 1618 C C . LEU A 1 206 ? 10.853 -31.841 -51.592 1.00 25.12 ? 209 LEU A C 1 ATOM 1619 O O . LEU A 1 206 ? 11.458 -31.107 -52.380 1.00 23.90 ? 209 LEU A O 1 ATOM 1620 C CB . LEU A 1 206 ? 9.821 -30.557 -49.656 1.00 26.47 ? 209 LEU A CB 1 ATOM 1621 C CG . LEU A 1 206 ? 8.364 -30.962 -49.854 1.00 29.84 ? 209 LEU A CG 1 ATOM 1622 C CD1 . LEU A 1 206 ? 7.988 -32.143 -48.931 1.00 32.25 ? 209 LEU A CD1 1 ATOM 1623 C CD2 . LEU A 1 206 ? 7.539 -29.717 -49.564 1.00 34.04 ? 209 LEU A CD2 1 ATOM 1624 N N . ASN A 1 207 ? 10.224 -32.931 -51.995 1.00 23.90 ? 210 ASN A N 1 ATOM 1625 C CA . ASN A 1 207 ? 10.020 -33.157 -53.377 1.00 25.95 ? 210 ASN A CA 1 ATOM 1626 C C . ASN A 1 207 ? 8.564 -33.590 -53.444 1.00 27.50 ? 210 ASN A C 1 ATOM 1627 O O . ASN A 1 207 ? 8.257 -34.731 -53.407 1.00 26.72 ? 210 ASN A O 1 ATOM 1628 C CB . ASN A 1 207 ? 10.966 -34.241 -53.904 1.00 25.70 ? 210 ASN A CB 1 ATOM 1629 C CG . ASN A 1 207 ? 10.645 -34.630 -55.345 1.00 29.65 ? 210 ASN A CG 1 ATOM 1630 O OD1 . ASN A 1 207 ? 10.631 -33.780 -56.255 1.00 32.48 ? 210 ASN A OD1 1 ATOM 1631 N ND2 . ASN A 1 207 ? 10.339 -35.908 -55.557 1.00 30.28 ? 210 ASN A ND2 1 ATOM 1632 N N . LYS A 1 208 ? 7.655 -32.639 -53.478 1.00 29.85 ? 211 LYS A N 1 ATOM 1633 C CA . LYS A 1 208 ? 6.245 -33.040 -53.401 1.00 31.67 ? 211 LYS A CA 1 ATOM 1634 C C . LYS A 1 208 ? 5.634 -32.696 -54.716 1.00 32.68 ? 211 LYS A C 1 ATOM 1635 O O . LYS A 1 208 ? 5.693 -31.544 -55.103 1.00 33.51 ? 211 LYS A O 1 ATOM 1636 C CB . LYS A 1 208 ? 5.557 -32.263 -52.290 1.00 32.30 ? 211 LYS A CB 1 ATOM 1637 C CG . LYS A 1 208 ? 4.138 -32.714 -51.991 1.00 33.37 ? 211 LYS A CG 1 ATOM 1638 C CD . LYS A 1 208 ? 3.549 -31.897 -50.810 1.00 32.42 ? 211 LYS A CD 1 ATOM 1639 C CE . LYS A 1 208 ? 2.029 -32.155 -50.700 1.00 40.38 ? 211 LYS A CE 1 ATOM 1640 N NZ . LYS A 1 208 ? 1.336 -31.612 -51.920 1.00 39.37 ? 211 LYS A NZ 1 ATOM 1641 N N . ARG A 1 209 ? 5.024 -33.662 -55.401 1.00 33.71 ? 212 ARG A N 1 ATOM 1642 C CA . ARG A 1 209 ? 4.372 -33.310 -56.672 1.00 34.19 ? 212 ARG A CA 1 ATOM 1643 C C . ARG A 1 209 ? 2.867 -33.614 -56.870 1.00 35.58 ? 212 ARG A C 1 ATOM 1644 O O . ARG A 1 209 ? 2.260 -34.344 -56.046 1.00 35.74 ? 212 ARG A O 1 ATOM 1645 C CB . ARG A 1 209 ? 5.146 -33.855 -57.864 1.00 33.14 ? 212 ARG A CB 1 ATOM 1646 C CG . ARG A 1 209 ? 4.148 -34.005 -59.012 1.00 33.59 ? 212 ARG A CG 1 ATOM 1647 C CD . ARG A 1 209 ? 4.735 -34.573 -60.225 1.00 34.40 ? 212 ARG A CD 1 ATOM 1648 N NE . ARG A 1 209 ? 6.006 -33.957 -60.501 1.00 33.49 ? 212 ARG A NE 1 ATOM 1649 C CZ . ARG A 1 209 ? 6.677 -34.208 -61.620 1.00 36.52 ? 212 ARG A CZ 1 ATOM 1650 N NH1 . ARG A 1 209 ? 6.128 -35.030 -62.501 1.00 34.80 ? 212 ARG A NH1 1 ATOM 1651 N NH2 . ARG A 1 209 ? 7.854 -33.635 -61.856 1.00 33.71 ? 212 ARG A NH2 1 ATOM 1652 N N . SER A 1 210 ? 2.321 -33.145 -58.024 1.00 35.56 ? 213 SER A N 1 ATOM 1653 C CA . SER A 1 210 ? 0.884 -33.310 -58.369 1.00 34.66 ? 213 SER A CA 1 ATOM 1654 C C . SER A 1 210 ? 0.432 -33.299 -59.848 1.00 33.83 ? 213 SER A C 1 ATOM 1655 O O . SER A 1 210 ? 0.893 -32.502 -60.679 1.00 33.13 ? 213 SER A O 1 ATOM 1656 C CB . SER A 1 210 ? 0.076 -32.271 -57.630 1.00 34.89 ? 213 SER A CB 1 ATOM 1657 O OG . SER A 1 210 ? 0.429 -32.317 -56.259 1.00 37.03 ? 213 SER A OG 1 ATOM 1658 N N . THR A 1 211 ? -0.527 -34.179 -60.134 1.00 32.15 ? 214 THR A N 1 ATOM 1659 C CA . THR A 1 211 ? -1.278 -34.137 -61.371 1.00 31.93 ? 214 THR A CA 1 ATOM 1660 C C . THR A 1 211 ? -2.698 -33.790 -60.884 1.00 31.01 ? 214 THR A C 1 ATOM 1661 O O . THR A 1 211 ? -3.207 -34.401 -59.944 1.00 31.24 ? 214 THR A O 1 ATOM 1662 C CB . THR A 1 211 ? -1.307 -35.484 -62.086 1.00 32.85 ? 214 THR A CB 1 ATOM 1663 O OG1 . THR A 1 211 ? -1.665 -36.467 -61.133 1.00 34.93 ? 214 THR A OG1 1 ATOM 1664 C CG2 . THR A 1 211 ? 0.079 -35.849 -62.696 1.00 32.92 ? 214 THR A CG2 1 ATOM 1665 N N . PRO A 1 212 ? -3.278 -32.745 -61.465 1.00 30.06 ? 215 PRO A N 1 ATOM 1666 C CA . PRO A 1 212 ? -4.642 -32.294 -61.164 1.00 28.89 ? 215 PRO A CA 1 ATOM 1667 C C . PRO A 1 212 ? -5.638 -33.353 -61.521 1.00 29.65 ? 215 PRO A C 1 ATOM 1668 O O . PRO A 1 212 ? -5.442 -34.097 -62.502 1.00 29.15 ? 215 PRO A O 1 ATOM 1669 C CB . PRO A 1 212 ? -4.816 -31.079 -62.061 1.00 29.62 ? 215 PRO A CB 1 ATOM 1670 C CG . PRO A 1 212 ? -3.386 -30.612 -62.354 1.00 28.82 ? 215 PRO A CG 1 ATOM 1671 C CD . PRO A 1 212 ? -2.594 -31.883 -62.434 1.00 30.07 ? 215 PRO A CD 1 ATOM 1672 N N . GLU A 1 213 ? -6.714 -33.425 -60.748 1.00 29.08 ? 216 GLU A N 1 ATOM 1673 C CA . GLU A 1 213 ? -7.739 -34.404 -61.023 1.00 29.04 ? 216 GLU A CA 1 ATOM 1674 C C . GLU A 1 213 ? -8.979 -33.686 -61.518 1.00 28.77 ? 216 GLU A C 1 ATOM 1675 O O . GLU A 1 213 ? -9.504 -32.816 -60.837 1.00 28.90 ? 216 GLU A O 1 ATOM 1676 C CB . GLU A 1 213 ? -8.021 -35.168 -59.755 1.00 29.02 ? 216 GLU A CB 1 ATOM 1677 C CG . GLU A 1 213 ? -6.823 -35.918 -59.340 1.00 31.66 ? 216 GLU A CG 1 ATOM 1678 C CD . GLU A 1 213 ? -6.797 -36.299 -57.903 1.00 32.61 ? 216 GLU A CD 1 ATOM 1679 O OE1 . GLU A 1 213 ? -7.812 -36.137 -57.216 1.00 37.31 ? 216 GLU A OE1 1 ATOM 1680 O OE2 . GLU A 1 213 ? -5.748 -36.812 -57.462 1.00 34.75 ? 216 GLU A OE2 1 ATOM 1681 N N . ILE A 1 214 ? -9.410 -34.020 -62.726 1.00 27.60 ? 217 ILE A N 1 ATOM 1682 C CA . ILE A 1 214 ? -10.680 -33.521 -63.225 1.00 26.67 ? 217 ILE A CA 1 ATOM 1683 C C . ILE A 1 214 ? -11.815 -34.496 -62.912 1.00 26.67 ? 217 ILE A C 1 ATOM 1684 O O . ILE A 1 214 ? -11.698 -35.699 -63.194 1.00 27.32 ? 217 ILE A O 1 ATOM 1685 C CB . ILE A 1 214 ? -10.584 -33.297 -64.715 1.00 27.39 ? 217 ILE A CB 1 ATOM 1686 C CG1 . ILE A 1 214 ? -9.526 -32.235 -65.013 1.00 26.30 ? 217 ILE A CG1 1 ATOM 1687 C CG2 . ILE A 1 214 ? -11.952 -32.917 -65.255 1.00 26.09 ? 217 ILE A CG2 1 ATOM 1688 C CD1 . ILE A 1 214 ? -9.025 -32.281 -66.457 1.00 31.17 ? 217 ILE A CD1 1 ATOM 1689 N N . ALA A 1 215 ? -12.915 -34.008 -62.321 1.00 24.93 ? 218 ALA A N 1 ATOM 1690 C CA . ALA A 1 215 ? -13.943 -34.926 -61.773 1.00 25.98 ? 218 ALA A CA 1 ATOM 1691 C C . ALA A 1 215 ? -15.132 -34.174 -61.228 1.00 25.92 ? 218 ALA A C 1 ATOM 1692 O O . ALA A 1 215 ? -14.955 -33.265 -60.470 1.00 24.34 ? 218 ALA A O 1 ATOM 1693 C CB . ALA A 1 215 ? -13.360 -35.754 -60.626 1.00 24.30 ? 218 ALA A CB 1 ATOM 1694 N N . THR A 1 216 ? -16.350 -34.630 -61.566 1.00 27.44 ? 219 THR A N 1 ATOM 1695 C CA . THR A 1 216 ? -17.586 -34.090 -60.954 1.00 28.32 ? 219 THR A CA 1 ATOM 1696 C C . THR A 1 216 ? -17.774 -34.280 -59.409 1.00 27.21 ? 219 THR A C 1 ATOM 1697 O O . THR A 1 216 ? -17.743 -35.383 -58.875 1.00 28.62 ? 219 THR A O 1 ATOM 1698 C CB . THR A 1 216 ? -18.823 -34.644 -61.755 1.00 29.54 ? 219 THR A CB 1 ATOM 1699 O OG1 . THR A 1 216 ? -18.767 -34.108 -63.085 1.00 32.72 ? 219 THR A OG1 1 ATOM 1700 C CG2 . THR A 1 216 ? -20.141 -34.259 -61.085 1.00 30.79 ? 219 THR A CG2 1 ATOM 1701 N N . ARG A 1 217 ? -18.013 -33.184 -58.691 1.00 23.98 ? 220 ARG A N 1 ATOM 1702 C CA . ARG A 1 217 ? -18.193 -33.223 -57.232 1.00 21.87 ? 220 ARG A CA 1 ATOM 1703 C C . ARG A 1 217 ? -19.363 -32.335 -56.862 1.00 21.60 ? 220 ARG A C 1 ATOM 1704 O O . ARG A 1 217 ? -19.706 -31.444 -57.656 1.00 18.75 ? 220 ARG A O 1 ATOM 1705 C CB . ARG A 1 217 ? -16.947 -32.649 -56.532 1.00 22.01 ? 220 ARG A CB 1 ATOM 1706 C CG . ARG A 1 217 ? -15.624 -33.296 -56.957 1.00 21.23 ? 220 ARG A CG 1 ATOM 1707 C CD . ARG A 1 217 ? -14.378 -32.562 -56.485 1.00 22.03 ? 220 ARG A CD 1 ATOM 1708 N NE . ARG A 1 217 ? -13.184 -33.043 -57.196 1.00 23.92 ? 220 ARG A NE 1 ATOM 1709 C CZ . ARG A 1 217 ? -12.663 -32.421 -58.259 1.00 23.15 ? 220 ARG A CZ 1 ATOM 1710 N NH1 . ARG A 1 217 ? -13.236 -31.317 -58.699 1.00 26.57 ? 220 ARG A NH1 1 ATOM 1711 N NH2 . ARG A 1 217 ? -11.609 -32.921 -58.886 1.00 26.35 ? 220 ARG A NH2 1 ATOM 1712 N N . PRO A 1 218 ? -19.974 -32.552 -55.665 1.00 21.84 ? 221 PRO A N 1 ATOM 1713 C CA . PRO A 1 218 ? -21.056 -31.666 -55.293 1.00 22.12 ? 221 PRO A CA 1 ATOM 1714 C C . PRO A 1 218 ? -20.558 -30.252 -55.119 1.00 21.12 ? 221 PRO A C 1 ATOM 1715 O O . PRO A 1 218 ? -19.381 -30.029 -54.817 1.00 20.93 ? 221 PRO A O 1 ATOM 1716 C CB . PRO A 1 218 ? -21.565 -32.224 -53.948 1.00 22.85 ? 221 PRO A CB 1 ATOM 1717 C CG . PRO A 1 218 ? -20.607 -33.121 -53.497 1.00 23.41 ? 221 PRO A CG 1 ATOM 1718 C CD . PRO A 1 218 ? -19.745 -33.596 -54.633 1.00 22.76 ? 221 PRO A CD 1 ATOM 1719 N N . LYS A 1 219 ? -21.453 -29.298 -55.349 1.00 21.41 ? 222 LYS A N 1 ATOM 1720 C CA . LYS A 1 219 ? -21.066 -27.899 -55.250 1.00 21.17 ? 222 LYS A CA 1 ATOM 1721 C C . LYS A 1 219 ? -20.871 -27.466 -53.806 1.00 21.18 ? 222 LYS A C 1 ATOM 1722 O O . LYS A 1 219 ? -21.703 -27.791 -52.929 1.00 20.48 ? 222 LYS A O 1 ATOM 1723 C CB . LYS A 1 219 ? -22.105 -27.010 -55.952 1.00 21.79 ? 222 LYS A CB 1 ATOM 1724 C CG . LYS A 1 219 ? -22.125 -27.221 -57.443 1.00 24.25 ? 222 LYS A CG 1 ATOM 1725 C CD . LYS A 1 219 ? -23.000 -26.156 -58.138 1.00 31.77 ? 222 LYS A CD 1 ATOM 1726 C CE . LYS A 1 219 ? -23.046 -26.396 -59.641 1.00 37.13 ? 222 LYS A CE 1 ATOM 1727 N NZ . LYS A 1 219 ? -21.731 -26.137 -60.299 1.00 40.74 ? 222 LYS A NZ 1 ATOM 1728 N N . VAL A 1 220 ? -19.768 -26.735 -53.567 1.00 20.50 ? 223 VAL A N 1 ATOM 1729 C CA . VAL A 1 220 ? -19.477 -26.111 -52.286 1.00 20.55 ? 223 VAL A CA 1 ATOM 1730 C C . VAL A 1 220 ? -19.158 -24.649 -52.630 1.00 21.94 ? 223 VAL A C 1 ATOM 1731 O O . VAL A 1 220 ? -18.325 -24.361 -53.536 1.00 20.68 ? 223 VAL A O 1 ATOM 1732 C CB . VAL A 1 220 ? -18.292 -26.769 -51.563 1.00 21.38 ? 223 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 220 ? -17.960 -26.051 -50.238 1.00 21.46 ? 223 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 220 ? -18.567 -28.323 -51.376 1.00 20.03 ? 223 VAL A CG2 1 ATOM 1735 N N . ASN A 1 221 ? -19.858 -23.732 -51.959 1.00 22.07 ? 224 ASN A N 1 ATOM 1736 C CA . ASN A 1 221 ? -19.738 -22.297 -52.330 1.00 23.27 ? 224 ASN A CA 1 ATOM 1737 C C . ASN A 1 221 ? -20.014 -22.112 -53.812 1.00 23.03 ? 224 ASN A C 1 ATOM 1738 O O . ASN A 1 221 ? -19.434 -21.231 -54.461 1.00 24.15 ? 224 ASN A O 1 ATOM 1739 C CB . ASN A 1 221 ? -18.339 -21.773 -51.969 1.00 23.74 ? 224 ASN A CB 1 ATOM 1740 C CG . ASN A 1 221 ? -18.063 -21.820 -50.479 1.00 25.38 ? 224 ASN A CG 1 ATOM 1741 O OD1 . ASN A 1 221 ? -18.996 -21.883 -49.668 1.00 28.98 ? 224 ASN A OD1 1 ATOM 1742 N ND2 . ASN A 1 221 ? -16.781 -21.819 -50.109 1.00 23.77 ? 224 ASN A ND2 1 ATOM 1743 N N . GLY A 1 222 ? -20.916 -22.937 -54.345 1.00 22.96 ? 225 GLY A N 1 ATOM 1744 C CA . GLY A 1 222 ? -21.287 -22.964 -55.773 1.00 23.22 ? 225 GLY A CA 1 ATOM 1745 C C . GLY A 1 222 ? -20.393 -23.688 -56.763 1.00 23.21 ? 225 GLY A C 1 ATOM 1746 O O . GLY A 1 222 ? -20.695 -23.741 -57.972 1.00 23.56 ? 225 GLY A O 1 ATOM 1747 N N . LEU A 1 223 ? -19.300 -24.275 -56.273 1.00 21.00 ? 226 LEU A N 1 ATOM 1748 C CA . LEU A 1 223 ? -18.297 -24.826 -57.166 1.00 20.80 ? 226 LEU A CA 1 ATOM 1749 C C . LEU A 1 223 ? -18.050 -26.317 -56.963 1.00 20.39 ? 226 LEU A C 1 ATOM 1750 O O . LEU A 1 223 ? -17.932 -26.753 -55.827 1.00 19.90 ? 226 LEU A O 1 ATOM 1751 C CB . LEU A 1 223 ? -16.982 -24.111 -56.916 1.00 20.12 ? 226 LEU A CB 1 ATOM 1752 C CG . LEU A 1 223 ? -17.015 -22.621 -57.254 1.00 23.37 ? 226 LEU A CG 1 ATOM 1753 C CD1 . LEU A 1 223 ? -15.820 -21.969 -56.604 1.00 21.56 ? 226 LEU A CD1 1 ATOM 1754 C CD2 . LEU A 1 223 ? -16.994 -22.416 -58.770 1.00 27.57 ? 226 LEU A CD2 1 ATOM 1755 N N . GLY A 1 224 ? -17.915 -27.044 -58.069 1.00 19.76 ? 227 GLY A N 1 ATOM 1756 C CA . GLY A 1 224 ? -17.553 -28.474 -58.058 1.00 20.12 ? 227 GLY A CA 1 ATOM 1757 C C . GLY A 1 224 ? -16.035 -28.672 -58.088 1.00 19.32 ? 227 GLY A C 1 ATOM 1758 O O . GLY A 1 224 ? -15.521 -29.748 -57.767 1.00 20.51 ? 227 GLY A O 1 ATOM 1759 N N . GLY A 1 225 ? -15.311 -27.640 -58.518 1.00 18.22 ? 228 GLY A N 1 ATOM 1760 C CA . GLY A 1 225 ? -13.820 -27.677 -58.493 1.00 18.06 ? 228 GLY A CA 1 ATOM 1761 C C . GLY A 1 225 ? -13.277 -27.633 -57.074 1.00 16.68 ? 228 GLY A C 1 ATOM 1762 O O . GLY A 1 225 ? -13.999 -27.308 -56.116 1.00 16.10 ? 228 GLY A O 1 ATOM 1763 N N . ARG A 1 226 ? -11.990 -27.943 -56.922 1.00 15.27 ? 229 ARG A N 1 ATOM 1764 C CA . ARG A 1 226 ? -11.365 -27.863 -55.620 1.00 15.07 ? 229 ARG A CA 1 ATOM 1765 C C . ARG A 1 226 ? -9.956 -27.328 -55.750 1.00 15.44 ? 229 ARG A C 1 ATOM 1766 O O . ARG A 1 226 ? -9.309 -27.535 -56.786 1.00 16.93 ? 229 ARG A O 1 ATOM 1767 C CB . ARG A 1 226 ? -11.247 -29.290 -55.000 1.00 13.82 ? 229 ARG A CB 1 ATOM 1768 C CG . ARG A 1 226 ? -12.634 -29.978 -54.803 1.00 15.95 ? 229 ARG A CG 1 ATOM 1769 C CD . ARG A 1 226 ? -13.429 -29.360 -53.672 1.00 16.04 ? 229 ARG A CD 1 ATOM 1770 N NE . ARG A 1 226 ? -14.668 -30.138 -53.433 1.00 14.66 ? 229 ARG A NE 1 ATOM 1771 C CZ . ARG A 1 226 ? -15.889 -29.817 -53.884 1.00 18.74 ? 229 ARG A CZ 1 ATOM 1772 N NH1 . ARG A 1 226 ? -16.104 -28.695 -54.594 1.00 18.71 ? 229 ARG A NH1 1 ATOM 1773 N NH2 . ARG A 1 226 ? -16.926 -30.607 -53.571 1.00 16.29 ? 229 ARG A NH2 1 ATOM 1774 N N . MET A 1 227 ? -9.480 -26.681 -54.694 1.00 15.73 ? 230 MET A N 1 ATOM 1775 C CA . MET A 1 227 ? -8.060 -26.331 -54.624 1.00 16.37 ? 230 MET A CA 1 ATOM 1776 C C . MET A 1 227 ? -7.450 -26.999 -53.391 1.00 16.74 ? 230 MET A C 1 ATOM 1777 O O . MET A 1 227 ? -7.960 -26.879 -52.276 1.00 17.48 ? 230 MET A O 1 ATOM 1778 C CB . MET A 1 227 ? -7.898 -24.797 -54.578 1.00 16.98 ? 230 MET A CB 1 ATOM 1779 C CG . MET A 1 227 ? -8.107 -24.187 -55.939 1.00 18.13 ? 230 MET A CG 1 ATOM 1780 S SD . MET A 1 227 ? -7.904 -22.424 -55.933 1.00 21.15 ? 230 MET A SD 1 ATOM 1781 C CE . MET A 1 227 ? -8.532 -22.177 -57.627 1.00 20.40 ? 230 MET A CE 1 ATOM 1782 N N . GLU A 1 228 ? -6.373 -27.731 -53.625 1.00 15.67 ? 231 GLU A N 1 ATOM 1783 C CA . GLU A 1 228 ? -5.736 -28.522 -52.593 1.00 17.03 ? 231 GLU A CA 1 ATOM 1784 C C . GLU A 1 228 ? -4.446 -27.790 -52.236 1.00 16.70 ? 231 GLU A C 1 ATOM 1785 O O . GLU A 1 228 ? -3.539 -27.722 -53.067 1.00 16.57 ? 231 GLU A O 1 ATOM 1786 C CB . GLU A 1 228 ? -5.414 -29.949 -53.119 1.00 17.54 ? 231 GLU A CB 1 ATOM 1787 C CG . GLU A 1 228 ? -4.551 -30.747 -52.131 1.00 17.25 ? 231 GLU A CG 1 ATOM 1788 C CD . GLU A 1 228 ? -4.178 -32.133 -52.631 1.00 20.41 ? 231 GLU A CD 1 ATOM 1789 O OE1 . GLU A 1 228 ? -4.841 -32.606 -53.574 1.00 23.61 ? 231 GLU A OE1 1 ATOM 1790 O OE2 . GLU A 1 228 ? -3.195 -32.725 -52.087 1.00 23.76 ? 231 GLU A OE2 1 ATOM 1791 N N . PHE A 1 229 ? -4.367 -27.305 -51.003 1.00 16.06 ? 232 PHE A N 1 ATOM 1792 C CA . PHE A 1 229 ? -3.192 -26.539 -50.547 1.00 16.12 ? 232 PHE A CA 1 ATOM 1793 C C . PHE A 1 229 ? -2.257 -27.400 -49.745 1.00 15.35 ? 232 PHE A C 1 ATOM 1794 O O . PHE A 1 229 ? -2.676 -28.347 -49.048 1.00 15.90 ? 232 PHE A O 1 ATOM 1795 C CB . PHE A 1 229 ? -3.626 -25.318 -49.742 1.00 16.26 ? 232 PHE A CB 1 ATOM 1796 C CG . PHE A 1 229 ? -4.368 -24.337 -50.576 1.00 15.35 ? 232 PHE A CG 1 ATOM 1797 C CD1 . PHE A 1 229 ? -3.668 -23.449 -51.442 1.00 16.08 ? 232 PHE A CD1 1 ATOM 1798 C CD2 . PHE A 1 229 ? -5.757 -24.326 -50.558 1.00 16.92 ? 232 PHE A CD2 1 ATOM 1799 C CE1 . PHE A 1 229 ? -4.382 -22.517 -52.298 1.00 17.06 ? 232 PHE A CE1 1 ATOM 1800 C CE2 . PHE A 1 229 ? -6.477 -23.391 -51.375 1.00 18.08 ? 232 PHE A CE2 1 ATOM 1801 C CZ . PHE A 1 229 ? -5.791 -22.510 -52.255 1.00 18.10 ? 232 PHE A CZ 1 ATOM 1802 N N . SER A 1 230 ? -0.979 -27.087 -49.871 1.00 17.03 ? 233 SER A N 1 ATOM 1803 C CA . SER A 1 230 ? 0.075 -27.738 -49.117 1.00 16.61 ? 233 SER A CA 1 ATOM 1804 C C . SER A 1 230 ? 1.038 -26.662 -48.598 1.00 16.93 ? 233 SER A C 1 ATOM 1805 O O . SER A 1 230 ? 1.029 -25.542 -49.071 1.00 17.56 ? 233 SER A O 1 ATOM 1806 C CB . SER A 1 230 ? 0.869 -28.684 -50.016 1.00 17.37 ? 233 SER A CB 1 ATOM 1807 O OG . SER A 1 230 ? 0.048 -29.729 -50.527 1.00 18.46 ? 233 SER A OG 1 ATOM 1808 N N . TRP A 1 231 ? 1.886 -27.023 -47.647 1.00 16.89 ? 234 TRP A N 1 ATOM 1809 C CA . TRP A 1 231 ? 2.823 -26.010 -47.099 1.00 17.57 ? 234 TRP A CA 1 ATOM 1810 C C . TRP A 1 231 ? 4.149 -26.614 -46.712 1.00 18.98 ? 234 TRP A C 1 ATOM 1811 O O . TRP A 1 231 ? 4.277 -27.850 -46.564 1.00 19.15 ? 234 TRP A O 1 ATOM 1812 C CB . TRP A 1 231 ? 2.178 -25.338 -45.914 1.00 19.17 ? 234 TRP A CB 1 ATOM 1813 C CG . TRP A 1 231 ? 1.941 -26.246 -44.763 1.00 18.69 ? 234 TRP A CG 1 ATOM 1814 C CD1 . TRP A 1 231 ? 0.854 -27.110 -44.554 1.00 21.91 ? 234 TRP A CD1 1 ATOM 1815 C CD2 . TRP A 1 231 ? 2.780 -26.379 -43.618 1.00 21.67 ? 234 TRP A CD2 1 ATOM 1816 N NE1 . TRP A 1 231 ? 1.015 -27.748 -43.343 1.00 22.80 ? 234 TRP A NE1 1 ATOM 1817 C CE2 . TRP A 1 231 ? 2.176 -27.323 -42.752 1.00 24.82 ? 234 TRP A CE2 1 ATOM 1818 C CE3 . TRP A 1 231 ? 3.986 -25.779 -43.231 1.00 24.76 ? 234 TRP A CE3 1 ATOM 1819 C CZ2 . TRP A 1 231 ? 2.770 -27.698 -41.527 1.00 24.64 ? 234 TRP A CZ2 1 ATOM 1820 C CZ3 . TRP A 1 231 ? 4.564 -26.140 -42.001 1.00 25.04 ? 234 TRP A CZ3 1 ATOM 1821 C CH2 . TRP A 1 231 ? 3.944 -27.093 -41.176 1.00 24.93 ? 234 TRP A CH2 1 ATOM 1822 N N . THR A 1 232 ? 5.157 -25.767 -46.554 1.00 19.10 ? 235 THR A N 1 ATOM 1823 C CA . THR A 1 232 ? 6.439 -26.270 -46.096 1.00 19.63 ? 235 THR A CA 1 ATOM 1824 C C . THR A 1 232 ? 7.063 -25.136 -45.285 1.00 20.31 ? 235 THR A C 1 ATOM 1825 O O . THR A 1 232 ? 6.651 -23.967 -45.435 1.00 19.34 ? 235 THR A O 1 ATOM 1826 C CB . THR A 1 232 ? 7.354 -26.648 -47.274 1.00 20.58 ? 235 THR A CB 1 ATOM 1827 O OG1 . THR A 1 232 ? 8.522 -27.353 -46.757 1.00 21.13 ? 235 THR A OG1 1 ATOM 1828 C CG2 . THR A 1 232 ? 7.822 -25.371 -48.049 1.00 21.68 ? 235 THR A CG2 1 ATOM 1829 N N . LEU A 1 233 ? 8.005 -25.475 -44.403 1.00 21.35 ? 236 LEU A N 1 ATOM 1830 C CA . LEU A 1 233 ? 8.807 -24.434 -43.740 1.00 22.27 ? 236 LEU A CA 1 ATOM 1831 C C . LEU A 1 233 ? 10.134 -24.418 -44.520 1.00 22.18 ? 236 LEU A C 1 ATOM 1832 O O . LEU A 1 233 ? 10.861 -25.445 -44.593 1.00 21.24 ? 236 LEU A O 1 ATOM 1833 C CB . LEU A 1 233 ? 8.964 -24.768 -42.244 1.00 23.38 ? 236 LEU A CB 1 ATOM 1834 C CG . LEU A 1 233 ? 9.427 -23.781 -41.155 1.00 25.96 ? 236 LEU A CG 1 ATOM 1835 C CD1 . LEU A 1 233 ? 8.568 -22.517 -41.231 1.00 25.26 ? 236 LEU A CD1 1 ATOM 1836 C CD2 . LEU A 1 233 ? 9.242 -24.412 -39.772 1.00 25.61 ? 236 LEU A CD2 1 ATOM 1837 N N . LEU A 1 234 ? 10.428 -23.305 -45.184 1.00 19.18 ? 237 LEU A N 1 ATOM 1838 C CA . LEU A 1 234 ? 11.646 -23.212 -45.983 1.00 19.12 ? 237 LEU A CA 1 ATOM 1839 C C . LEU A 1 234 ? 12.775 -22.765 -45.059 1.00 19.85 ? 237 LEU A C 1 ATOM 1840 O O . LEU A 1 234 ? 12.715 -21.681 -44.447 1.00 19.51 ? 237 LEU A O 1 ATOM 1841 C CB . LEU A 1 234 ? 11.480 -22.221 -47.154 1.00 19.23 ? 237 LEU A CB 1 ATOM 1842 C CG . LEU A 1 234 ? 12.665 -22.086 -48.119 1.00 18.71 ? 237 LEU A CG 1 ATOM 1843 C CD1 . LEU A 1 234 ? 12.985 -23.424 -48.821 1.00 20.89 ? 237 LEU A CD1 1 ATOM 1844 C CD2 . LEU A 1 234 ? 12.378 -21.012 -49.182 1.00 19.56 ? 237 LEU A CD2 1 ATOM 1845 N N . ASP A 1 235 ? 13.812 -23.598 -44.911 1.00 19.42 ? 238 ASP A N 1 ATOM 1846 C CA . ASP A 1 235 ? 14.899 -23.199 -44.015 1.00 20.53 ? 238 ASP A CA 1 ATOM 1847 C C . ASP A 1 235 ? 15.697 -21.978 -44.513 1.00 20.29 ? 238 ASP A C 1 ATOM 1848 O O . ASP A 1 235 ? 15.737 -21.672 -45.715 1.00 19.23 ? 238 ASP A O 1 ATOM 1849 C CB . ASP A 1 235 ? 15.887 -24.362 -43.816 1.00 22.02 ? 238 ASP A CB 1 ATOM 1850 C CG . ASP A 1 235 ? 15.339 -25.485 -42.955 1.00 25.98 ? 238 ASP A CG 1 ATOM 1851 O OD1 . ASP A 1 235 ? 14.323 -25.329 -42.230 1.00 26.69 ? 238 ASP A OD1 1 ATOM 1852 O OD2 . ASP A 1 235 ? 16.009 -26.547 -42.961 1.00 33.28 ? 238 ASP A OD2 1 ATOM 1853 N N . MET A 1 236 ? 16.384 -21.327 -43.583 1.00 20.53 ? 239 MET A N 1 ATOM 1854 C CA . MET A 1 236 ? 17.271 -20.235 -43.938 1.00 22.44 ? 239 MET A CA 1 ATOM 1855 C C . MET A 1 236 ? 18.247 -20.703 -44.987 1.00 21.63 ? 239 MET A C 1 ATOM 1856 O O . MET A 1 236 ? 18.817 -21.791 -44.862 1.00 21.19 ? 239 MET A O 1 ATOM 1857 C CB . MET A 1 236 ? 18.018 -19.725 -42.703 1.00 21.69 ? 239 MET A CB 1 ATOM 1858 C CG . MET A 1 236 ? 17.136 -19.042 -41.697 1.00 25.05 ? 239 MET A CG 1 ATOM 1859 S SD . MET A 1 236 ? 18.037 -18.552 -40.232 1.00 31.15 ? 239 MET A SD 1 ATOM 1860 C CE . MET A 1 236 ? 17.969 -20.047 -39.270 1.00 36.60 ? 239 MET A CE 1 ATOM 1861 N N . TRP A 1 237 ? 18.416 -19.885 -46.021 1.00 21.34 ? 240 TRP A N 1 ATOM 1862 C CA . TRP A 1 237 ? 19.385 -20.080 -47.112 1.00 21.06 ? 240 TRP A CA 1 ATOM 1863 C C . TRP A 1 237 ? 19.023 -21.235 -48.073 1.00 20.11 ? 240 TRP A C 1 ATOM 1864 O O . TRP A 1 237 ? 19.805 -21.530 -48.975 1.00 20.74 ? 240 TRP A O 1 ATOM 1865 C CB . TRP A 1 237 ? 20.836 -20.223 -46.576 1.00 21.41 ? 240 TRP A CB 1 ATOM 1866 C CG . TRP A 1 237 ? 21.120 -19.326 -45.396 1.00 23.19 ? 240 TRP A CG 1 ATOM 1867 C CD1 . TRP A 1 237 ? 21.392 -19.709 -44.118 1.00 23.88 ? 240 TRP A CD1 1 ATOM 1868 C CD2 . TRP A 1 237 ? 21.069 -17.892 -45.385 1.00 24.14 ? 240 TRP A CD2 1 ATOM 1869 N NE1 . TRP A 1 237 ? 21.549 -18.597 -43.311 1.00 25.86 ? 240 TRP A NE1 1 ATOM 1870 C CE2 . TRP A 1 237 ? 21.358 -17.470 -44.067 1.00 26.19 ? 240 TRP A CE2 1 ATOM 1871 C CE3 . TRP A 1 237 ? 20.830 -16.923 -46.371 1.00 25.47 ? 240 TRP A CE3 1 ATOM 1872 C CZ2 . TRP A 1 237 ? 21.413 -16.106 -43.701 1.00 26.05 ? 240 TRP A CZ2 1 ATOM 1873 C CZ3 . TRP A 1 237 ? 20.865 -15.578 -46.018 1.00 25.22 ? 240 TRP A CZ3 1 ATOM 1874 C CH2 . TRP A 1 237 ? 21.173 -15.178 -44.692 1.00 25.87 ? 240 TRP A CH2 1 ATOM 1875 N N . ASP A 1 238 ? 17.876 -21.893 -47.857 1.00 20.07 ? 241 ASP A N 1 ATOM 1876 C CA . ASP A 1 238 ? 17.400 -22.919 -48.801 1.00 20.82 ? 241 ASP A CA 1 ATOM 1877 C C . ASP A 1 238 ? 16.536 -22.248 -49.861 1.00 21.14 ? 241 ASP A C 1 ATOM 1878 O O . ASP A 1 238 ? 16.032 -21.118 -49.644 1.00 20.64 ? 241 ASP A O 1 ATOM 1879 C CB . ASP A 1 238 ? 16.600 -24.035 -48.101 1.00 20.61 ? 241 ASP A CB 1 ATOM 1880 C CG . ASP A 1 238 ? 16.526 -25.316 -48.938 1.00 21.51 ? 241 ASP A CG 1 ATOM 1881 O OD1 . ASP A 1 238 ? 17.314 -25.445 -49.920 1.00 20.62 ? 241 ASP A OD1 1 ATOM 1882 O OD2 . ASP A 1 238 ? 15.682 -26.169 -48.616 1.00 20.16 ? 241 ASP A OD2 1 ATOM 1883 N N . THR A 1 239 ? 16.357 -22.938 -50.986 1.00 20.04 ? 242 THR A N 1 ATOM 1884 C CA . THR A 1 239 ? 15.603 -22.459 -52.138 1.00 20.00 ? 242 THR A CA 1 ATOM 1885 C C . THR A 1 239 ? 14.404 -23.367 -52.388 1.00 20.96 ? 242 THR A C 1 ATOM 1886 O O . THR A 1 239 ? 14.503 -24.590 -52.222 1.00 19.97 ? 242 THR A O 1 ATOM 1887 C CB . THR A 1 239 ? 16.519 -22.386 -53.370 1.00 21.20 ? 242 THR A CB 1 ATOM 1888 O OG1 . THR A 1 239 ? 17.522 -21.389 -53.130 1.00 21.50 ? 242 THR A OG1 1 ATOM 1889 C CG2 . THR A 1 239 ? 15.718 -22.062 -54.672 1.00 22.03 ? 242 THR A CG2 1 ATOM 1890 N N . ILE A 1 240 ? 13.272 -22.755 -52.719 1.00 19.59 ? 243 ILE A N 1 ATOM 1891 C CA . ILE A 1 240 ? 12.085 -23.471 -53.193 1.00 19.48 ? 243 ILE A CA 1 ATOM 1892 C C . ILE A 1 240 ? 11.902 -23.209 -54.686 1.00 19.99 ? 243 ILE A C 1 ATOM 1893 O O . ILE A 1 240 ? 12.035 -22.058 -55.140 1.00 18.95 ? 243 ILE A O 1 ATOM 1894 C CB . ILE A 1 240 ? 10.793 -23.093 -52.370 1.00 19.49 ? 243 ILE A CB 1 ATOM 1895 C CG1 . ILE A 1 240 ? 9.592 -23.979 -52.769 1.00 19.79 ? 243 ILE A CG1 1 ATOM 1896 C CG2 . ILE A 1 240 ? 10.459 -21.576 -52.465 1.00 19.69 ? 243 ILE A CG2 1 ATOM 1897 C CD1 . ILE A 1 240 ? 8.456 -23.932 -51.753 1.00 20.89 ? 243 ILE A CD1 1 ATOM 1898 N N . ASN A 1 241 ? 11.657 -24.279 -55.453 1.00 18.77 ? 244 ASN A N 1 ATOM 1899 C CA . ASN A 1 241 ? 11.390 -24.168 -56.884 1.00 19.50 ? 244 ASN A CA 1 ATOM 1900 C C . ASN A 1 241 ? 9.989 -24.667 -57.219 1.00 20.07 ? 244 ASN A C 1 ATOM 1901 O O . ASN A 1 241 ? 9.628 -25.818 -56.877 1.00 20.62 ? 244 ASN A O 1 ATOM 1902 C CB . ASN A 1 241 ? 12.429 -25.003 -57.672 1.00 20.41 ? 244 ASN A CB 1 ATOM 1903 C CG . ASN A 1 241 ? 13.829 -24.449 -57.521 1.00 22.06 ? 244 ASN A CG 1 ATOM 1904 O OD1 . ASN A 1 241 ? 14.088 -23.285 -57.854 1.00 30.94 ? 244 ASN A OD1 1 ATOM 1905 N ND2 . ASN A 1 241 ? 14.720 -25.237 -56.992 1.00 25.35 ? 244 ASN A ND2 1 ATOM 1906 N N . PHE A 1 242 ? 9.212 -23.838 -57.913 1.00 19.50 ? 245 PHE A N 1 ATOM 1907 C CA . PHE A 1 242 ? 7.896 -24.242 -58.432 1.00 20.47 ? 245 PHE A CA 1 ATOM 1908 C C . PHE A 1 242 ? 8.017 -24.428 -59.939 1.00 22.32 ? 245 PHE A C 1 ATOM 1909 O O . PHE A 1 242 ? 8.686 -23.632 -60.623 1.00 22.12 ? 245 PHE A O 1 ATOM 1910 C CB . PHE A 1 242 ? 6.895 -23.111 -58.163 1.00 19.36 ? 245 PHE A CB 1 ATOM 1911 C CG . PHE A 1 242 ? 6.595 -22.941 -56.714 1.00 18.38 ? 245 PHE A CG 1 ATOM 1912 C CD1 . PHE A 1 242 ? 5.676 -23.790 -56.089 1.00 18.42 ? 245 PHE A CD1 1 ATOM 1913 C CD2 . PHE A 1 242 ? 7.247 -21.957 -55.948 1.00 19.90 ? 245 PHE A CD2 1 ATOM 1914 C CE1 . PHE A 1 242 ? 5.395 -23.662 -54.708 1.00 19.04 ? 245 PHE A CE1 1 ATOM 1915 C CE2 . PHE A 1 242 ? 6.965 -21.801 -54.558 1.00 20.08 ? 245 PHE A CE2 1 ATOM 1916 C CZ . PHE A 1 242 ? 6.036 -22.669 -53.944 1.00 19.98 ? 245 PHE A CZ 1 ATOM 1917 N N . GLU A 1 243 ? 7.343 -25.443 -60.466 1.00 23.78 ? 246 GLU A N 1 ATOM 1918 C CA . GLU A 1 243 ? 7.396 -25.738 -61.886 1.00 26.84 ? 246 GLU A CA 1 ATOM 1919 C C . GLU A 1 243 ? 6.020 -26.277 -62.301 1.00 26.18 ? 246 GLU A C 1 ATOM 1920 O O . GLU A 1 243 ? 5.514 -27.194 -61.645 1.00 27.50 ? 246 GLU A O 1 ATOM 1921 C CB . GLU A 1 243 ? 8.548 -26.745 -62.086 1.00 26.20 ? 246 GLU A CB 1 ATOM 1922 C CG . GLU A 1 243 ? 8.646 -27.506 -63.391 1.00 32.04 ? 246 GLU A CG 1 ATOM 1923 C CD . GLU A 1 243 ? 9.784 -28.553 -63.371 1.00 30.63 ? 246 GLU A CD 1 ATOM 1924 O OE1 . GLU A 1 243 ? 10.951 -28.111 -63.346 1.00 34.53 ? 246 GLU A OE1 1 ATOM 1925 O OE2 . GLU A 1 243 ? 9.516 -29.814 -63.380 1.00 32.16 ? 246 GLU A OE2 1 ATOM 1926 N N . SER A 1 244 ? 5.405 -25.697 -63.333 1.00 26.73 ? 247 SER A N 1 ATOM 1927 C CA . SER A 1 244 ? 4.052 -26.168 -63.759 1.00 26.56 ? 247 SER A CA 1 ATOM 1928 C C . SER A 1 244 ? 3.660 -25.914 -65.218 1.00 25.98 ? 247 SER A C 1 ATOM 1929 O O . SER A 1 244 ? 4.002 -24.880 -65.792 1.00 26.33 ? 247 SER A O 1 ATOM 1930 C CB . SER A 1 244 ? 2.972 -25.557 -62.826 1.00 26.15 ? 247 SER A CB 1 ATOM 1931 O OG . SER A 1 244 ? 1.663 -26.049 -63.121 1.00 26.99 ? 247 SER A OG 1 ATOM 1932 N N . THR A 1 245 ? 2.879 -26.846 -65.795 1.00 27.69 ? 248 THR A N 1 ATOM 1933 C CA . THR A 1 245 ? 2.289 -26.669 -67.132 1.00 28.49 ? 248 THR A CA 1 ATOM 1934 C C . THR A 1 245 ? 0.782 -26.468 -67.024 1.00 27.54 ? 248 THR A C 1 ATOM 1935 O O . THR A 1 245 ? 0.047 -26.445 -68.027 1.00 28.82 ? 248 THR A O 1 ATOM 1936 C CB . THR A 1 245 ? 2.525 -27.897 -68.019 1.00 29.24 ? 248 THR A CB 1 ATOM 1937 O OG1 . THR A 1 245 ? 2.158 -29.073 -67.291 1.00 28.63 ? 248 THR A OG1 1 ATOM 1938 C CG2 . THR A 1 245 ? 3.989 -27.966 -68.421 1.00 29.84 ? 248 THR A CG2 1 ATOM 1939 N N . GLY A 1 246 ? 0.333 -26.289 -65.789 1.00 26.43 ? 249 GLY A N 1 ATOM 1940 C CA . GLY A 1 246 ? -1.053 -26.006 -65.529 1.00 23.47 ? 249 GLY A CA 1 ATOM 1941 C C . GLY A 1 246 ? -1.439 -26.365 -64.112 1.00 21.13 ? 249 GLY A C 1 ATOM 1942 O O . GLY A 1 246 ? -0.877 -27.287 -63.492 1.00 20.34 ? 249 GLY A O 1 ATOM 1943 N N . ASN A 1 247 ? -2.400 -25.588 -63.605 1.00 20.22 ? 250 ASN A N 1 ATOM 1944 C CA . ASN A 1 247 ? -3.100 -25.874 -62.340 1.00 19.47 ? 250 ASN A CA 1 ATOM 1945 C C . ASN A 1 247 ? -2.380 -25.442 -61.054 1.00 18.25 ? 250 ASN A C 1 ATOM 1946 O O . ASN A 1 247 ? -2.858 -25.719 -59.971 1.00 19.26 ? 250 ASN A O 1 ATOM 1947 C CB . ASN A 1 247 ? -3.570 -27.347 -62.228 1.00 19.10 ? 250 ASN A CB 1 ATOM 1948 C CG . ASN A 1 247 ? -4.347 -27.803 -63.459 1.00 21.62 ? 250 ASN A CG 1 ATOM 1949 O OD1 . ASN A 1 247 ? -3.798 -27.836 -64.561 1.00 23.11 ? 250 ASN A OD1 1 ATOM 1950 N ND2 . ASN A 1 247 ? -5.637 -28.129 -63.282 1.00 20.99 ? 250 ASN A ND2 1 ATOM 1951 N N . LEU A 1 248 ? -1.216 -24.803 -61.191 1.00 18.23 ? 251 LEU A N 1 ATOM 1952 C CA . LEU A 1 248 ? -0.504 -24.228 -60.047 1.00 16.47 ? 251 LEU A CA 1 ATOM 1953 C C . LEU A 1 248 ? -1.234 -23.010 -59.478 1.00 16.98 ? 251 LEU A C 1 ATOM 1954 O O . LEU A 1 248 ? -1.568 -22.064 -60.200 1.00 16.76 ? 251 LEU A O 1 ATOM 1955 C CB . LEU A 1 248 ? 0.925 -23.816 -60.479 1.00 16.59 ? 251 LEU A CB 1 ATOM 1956 C CG . LEU A 1 248 ? 1.756 -22.957 -59.528 1.00 17.56 ? 251 LEU A CG 1 ATOM 1957 C CD1 . LEU A 1 248 ? 2.076 -23.745 -58.238 1.00 18.46 ? 251 LEU A CD1 1 ATOM 1958 C CD2 . LEU A 1 248 ? 3.020 -22.569 -60.276 1.00 16.65 ? 251 LEU A CD2 1 ATOM 1959 N N . ILE A 1 249 ? -1.404 -23.037 -58.154 1.00 15.47 ? 252 ILE A N 1 ATOM 1960 C CA . ILE A 1 249 ? -1.821 -21.866 -57.397 1.00 16.51 ? 252 ILE A CA 1 ATOM 1961 C C . ILE A 1 249 ? -0.571 -21.447 -56.621 1.00 17.17 ? 252 ILE A C 1 ATOM 1962 O O . ILE A 1 249 ? -0.154 -22.108 -55.638 1.00 16.52 ? 252 ILE A O 1 ATOM 1963 C CB . ILE A 1 249 ? -3.010 -22.187 -56.442 1.00 15.65 ? 252 ILE A CB 1 ATOM 1964 C CG1 . ILE A 1 249 ? -4.212 -22.811 -57.210 1.00 16.89 ? 252 ILE A CG1 1 ATOM 1965 C CG2 . ILE A 1 249 ? -3.433 -20.883 -55.759 1.00 15.67 ? 252 ILE A CG2 1 ATOM 1966 C CD1 . ILE A 1 249 ? -4.646 -22.033 -58.471 1.00 19.35 ? 252 ILE A CD1 1 ATOM 1967 N N . ALA A 1 250 ? 0.066 -20.389 -57.107 1.00 16.31 ? 253 ALA A N 1 ATOM 1968 C CA . ALA A 1 250 ? 1.377 -20.018 -56.583 1.00 16.03 ? 253 ALA A CA 1 ATOM 1969 C C . ALA A 1 250 ? 1.213 -19.103 -55.374 1.00 15.95 ? 253 ALA A C 1 ATOM 1970 O O . ALA A 1 250 ? 0.325 -18.231 -55.375 1.00 16.73 ? 253 ALA A O 1 ATOM 1971 C CB . ALA A 1 250 ? 2.176 -19.266 -57.658 1.00 14.93 ? 253 ALA A CB 1 ATOM 1972 N N . PRO A 1 251 ? 2.138 -19.199 -54.398 1.00 16.20 ? 254 PRO A N 1 ATOM 1973 C CA . PRO A 1 251 ? 2.155 -18.124 -53.400 1.00 16.17 ? 254 PRO A CA 1 ATOM 1974 C C . PRO A 1 251 ? 2.754 -16.854 -54.018 1.00 15.62 ? 254 PRO A C 1 ATOM 1975 O O . PRO A 1 251 ? 3.652 -16.949 -54.878 1.00 15.14 ? 254 PRO A O 1 ATOM 1976 C CB . PRO A 1 251 ? 3.105 -18.646 -52.327 1.00 16.41 ? 254 PRO A CB 1 ATOM 1977 C CG . PRO A 1 251 ? 4.060 -19.617 -53.101 1.00 17.01 ? 254 PRO A CG 1 ATOM 1978 C CD . PRO A 1 251 ? 3.224 -20.201 -54.200 1.00 15.75 ? 254 PRO A CD 1 ATOM 1979 N N . GLU A 1 252 ? 2.227 -15.674 -53.641 1.00 14.47 ? 255 GLU A N 1 ATOM 1980 C CA . GLU A 1 252 ? 2.993 -14.447 -53.892 1.00 16.03 ? 255 GLU A CA 1 ATOM 1981 C C . GLU A 1 252 ? 3.880 -14.109 -52.682 1.00 15.31 ? 255 GLU A C 1 ATOM 1982 O O . GLU A 1 252 ? 4.926 -13.438 -52.818 1.00 16.50 ? 255 GLU A O 1 ATOM 1983 C CB . GLU A 1 252 ? 2.024 -13.303 -54.207 1.00 15.72 ? 255 GLU A CB 1 ATOM 1984 C CG . GLU A 1 252 ? 2.760 -12.059 -54.649 1.00 18.22 ? 255 GLU A CG 1 ATOM 1985 C CD . GLU A 1 252 ? 1.902 -10.889 -55.084 1.00 20.46 ? 255 GLU A CD 1 ATOM 1986 O OE1 . GLU A 1 252 ? 0.730 -10.779 -54.676 1.00 24.46 ? 255 GLU A OE1 1 ATOM 1987 O OE2 . GLU A 1 252 ? 2.508 -10.023 -55.802 1.00 22.76 ? 255 GLU A OE2 1 ATOM 1988 N N . TYR A 1 253 ? 3.433 -14.532 -51.499 1.00 16.63 ? 256 TYR A N 1 ATOM 1989 C CA . TYR A 1 253 ? 4.128 -14.230 -50.238 1.00 16.44 ? 256 TYR A CA 1 ATOM 1990 C C . TYR A 1 253 ? 4.580 -15.451 -49.501 1.00 17.77 ? 256 TYR A C 1 ATOM 1991 O O . TYR A 1 253 ? 4.013 -16.545 -49.708 1.00 17.79 ? 256 TYR A O 1 ATOM 1992 C CB . TYR A 1 253 ? 3.209 -13.457 -49.280 1.00 17.14 ? 256 TYR A CB 1 ATOM 1993 C CG . TYR A 1 253 ? 2.740 -12.156 -49.858 1.00 16.11 ? 256 TYR A CG 1 ATOM 1994 C CD1 . TYR A 1 253 ? 3.437 -10.965 -49.624 1.00 18.27 ? 256 TYR A CD1 1 ATOM 1995 C CD2 . TYR A 1 253 ? 1.585 -12.112 -50.649 1.00 19.24 ? 256 TYR A CD2 1 ATOM 1996 C CE1 . TYR A 1 253 ? 2.979 -9.745 -50.185 1.00 19.47 ? 256 TYR A CE1 1 ATOM 1997 C CE2 . TYR A 1 253 ? 1.124 -10.922 -51.192 1.00 21.49 ? 256 TYR A CE2 1 ATOM 1998 C CZ . TYR A 1 253 ? 1.806 -9.758 -50.946 1.00 22.10 ? 256 TYR A CZ 1 ATOM 1999 O OH . TYR A 1 253 ? 1.303 -8.593 -51.488 1.00 23.46 ? 256 TYR A OH 1 ATOM 2000 N N . GLY A 1 254 ? 5.538 -15.246 -48.589 1.00 16.84 ? 257 GLY A N 1 ATOM 2001 C CA . GLY A 1 254 ? 5.926 -16.243 -47.573 1.00 17.87 ? 257 GLY A CA 1 ATOM 2002 C C . GLY A 1 254 ? 5.839 -15.571 -46.200 1.00 17.56 ? 257 GLY A C 1 ATOM 2003 O O . GLY A 1 254 ? 5.924 -14.330 -46.097 1.00 19.15 ? 257 GLY A O 1 ATOM 2004 N N . PHE A 1 255 ? 5.658 -16.359 -45.141 1.00 16.76 ? 258 PHE A N 1 ATOM 2005 C CA . PHE A 1 255 ? 5.583 -15.781 -43.804 1.00 15.76 ? 258 PHE A CA 1 ATOM 2006 C C . PHE A 1 255 ? 6.835 -16.155 -43.044 1.00 15.79 ? 258 PHE A C 1 ATOM 2007 O O . PHE A 1 255 ? 7.012 -17.306 -42.633 1.00 16.23 ? 258 PHE A O 1 ATOM 2008 C CB . PHE A 1 255 ? 4.352 -16.332 -43.058 1.00 16.38 ? 258 PHE A CB 1 ATOM 2009 C CG . PHE A 1 255 ? 3.047 -15.868 -43.640 1.00 17.08 ? 258 PHE A CG 1 ATOM 2010 C CD1 . PHE A 1 255 ? 2.406 -14.770 -43.077 1.00 18.39 ? 258 PHE A CD1 1 ATOM 2011 C CD2 . PHE A 1 255 ? 2.469 -16.503 -44.727 1.00 17.96 ? 258 PHE A CD2 1 ATOM 2012 C CE1 . PHE A 1 255 ? 1.167 -14.297 -43.600 1.00 21.12 ? 258 PHE A CE1 1 ATOM 2013 C CE2 . PHE A 1 255 ? 1.231 -16.044 -45.284 1.00 19.09 ? 258 PHE A CE2 1 ATOM 2014 C CZ . PHE A 1 255 ? 0.578 -14.926 -44.700 1.00 19.79 ? 258 PHE A CZ 1 ATOM 2015 N N . LYS A 1 256 ? 7.718 -15.181 -42.935 1.00 15.64 ? 259 LYS A N 1 ATOM 2016 C CA . LYS A 1 256 ? 8.923 -15.348 -42.141 1.00 16.60 ? 259 LYS A CA 1 ATOM 2017 C C . LYS A 1 256 ? 8.537 -15.412 -40.661 1.00 16.84 ? 259 LYS A C 1 ATOM 2018 O O . LYS A 1 256 ? 7.802 -14.552 -40.161 1.00 18.16 ? 259 LYS A O 1 ATOM 2019 C CB . LYS A 1 256 ? 9.846 -14.146 -42.394 1.00 16.14 ? 259 LYS A CB 1 ATOM 2020 C CG . LYS A 1 256 ? 11.111 -14.207 -41.553 1.00 17.89 ? 259 LYS A CG 1 ATOM 2021 C CD . LYS A 1 256 ? 11.797 -12.823 -41.607 1.00 20.45 ? 259 LYS A CD 1 ATOM 2022 C CE . LYS A 1 256 ? 12.659 -12.585 -40.396 1.00 28.78 ? 259 LYS A CE 1 ATOM 2023 N NZ . LYS A 1 256 ? 13.453 -11.300 -40.622 1.00 27.72 ? 259 LYS A NZ 1 ATOM 2024 N N . ILE A 1 257 ? 9.048 -16.404 -39.938 1.00 17.56 ? 260 ILE A N 1 ATOM 2025 C CA . ILE A 1 257 ? 8.801 -16.481 -38.505 1.00 19.78 ? 260 ILE A CA 1 ATOM 2026 C C . ILE A 1 257 ? 9.656 -15.438 -37.820 1.00 21.29 ? 260 ILE A C 1 ATOM 2027 O O . ILE A 1 257 ? 10.879 -15.591 -37.731 1.00 23.82 ? 260 ILE A O 1 ATOM 2028 C CB . ILE A 1 257 ? 9.119 -17.879 -37.967 1.00 19.91 ? 260 ILE A CB 1 ATOM 2029 C CG1 . ILE A 1 257 ? 8.135 -18.873 -38.560 1.00 21.48 ? 260 ILE A CG1 1 ATOM 2030 C CG2 . ILE A 1 257 ? 9.119 -17.900 -36.395 1.00 22.81 ? 260 ILE A CG2 1 ATOM 2031 C CD1 . ILE A 1 257 ? 8.475 -20.347 -38.230 1.00 26.71 ? 260 ILE A CD1 1 ATOM 2032 N N . SER A 1 258 ? 9.026 -14.397 -37.306 1.00 20.55 ? 261 SER A N 1 ATOM 2033 C CA . SER A 1 258 ? 9.804 -13.258 -36.791 1.00 21.94 ? 261 SER A CA 1 ATOM 2034 C C . SER A 1 258 ? 9.907 -13.208 -35.281 1.00 22.90 ? 261 SER A C 1 ATOM 2035 O O . SER A 1 258 ? 10.769 -12.496 -34.733 1.00 23.99 ? 261 SER A O 1 ATOM 2036 C CB . SER A 1 258 ? 9.249 -11.955 -37.342 1.00 21.47 ? 261 SER A CB 1 ATOM 2037 O OG . SER A 1 258 ? 7.862 -11.874 -37.091 1.00 24.28 ? 261 SER A OG 1 ATOM 2038 N N . LYS A 1 259 ? 9.004 -13.915 -34.598 1.00 22.91 ? 262 LYS A N 1 ATOM 2039 C CA . LYS A 1 259 ? 9.105 -14.102 -33.165 1.00 23.89 ? 262 LYS A CA 1 ATOM 2040 C C . LYS A 1 259 ? 8.580 -15.481 -32.751 1.00 23.55 ? 262 LYS A C 1 ATOM 2041 O O . LYS A 1 259 ? 7.524 -15.922 -33.195 1.00 22.99 ? 262 LYS A O 1 ATOM 2042 C CB . LYS A 1 259 ? 8.372 -13.003 -32.416 1.00 24.19 ? 262 LYS A CB 1 ATOM 2043 C CG . LYS A 1 259 ? 8.479 -13.127 -30.936 1.00 27.97 ? 262 LYS A CG 1 ATOM 2044 C CD . LYS A 1 259 ? 8.020 -11.862 -30.253 1.00 33.22 ? 262 LYS A CD 1 ATOM 2045 C CE . LYS A 1 259 ? 8.748 -11.703 -28.904 1.00 39.51 ? 262 LYS A CE 1 ATOM 2046 N NZ . LYS A 1 259 ? 10.064 -11.007 -29.070 1.00 43.33 ? 262 LYS A NZ 1 ATOM 2047 N N . ARG A 1 260 ? 9.344 -16.131 -31.878 1.00 23.73 ? 263 ARG A N 1 ATOM 2048 C CA . ARG A 1 260 ? 9.007 -17.454 -31.368 1.00 24.98 ? 263 ARG A CA 1 ATOM 2049 C C . ARG A 1 260 ? 8.711 -17.393 -29.863 1.00 25.21 ? 263 ARG A C 1 ATOM 2050 O O . ARG A 1 260 ? 9.191 -16.503 -29.159 1.00 24.81 ? 263 ARG A O 1 ATOM 2051 C CB . ARG A 1 260 ? 10.161 -18.426 -31.661 1.00 24.86 ? 263 ARG A CB 1 ATOM 2052 C CG . ARG A 1 260 ? 10.319 -18.773 -33.149 1.00 28.35 ? 263 ARG A CG 1 ATOM 2053 C CD . ARG A 1 260 ? 11.640 -19.490 -33.385 1.00 30.60 ? 263 ARG A CD 1 ATOM 2054 N NE . ARG A 1 260 ? 11.947 -19.767 -34.795 1.00 30.07 ? 263 ARG A NE 1 ATOM 2055 C CZ . ARG A 1 260 ? 11.467 -20.783 -35.516 1.00 31.01 ? 263 ARG A CZ 1 ATOM 2056 N NH1 . ARG A 1 260 ? 10.577 -21.642 -35.017 1.00 30.99 ? 263 ARG A NH1 1 ATOM 2057 N NH2 . ARG A 1 260 ? 11.868 -20.928 -36.780 1.00 32.19 ? 263 ARG A NH2 1 ATOM 2058 N N . GLY A 1 261 A 7.869 -18.306 -29.384 1.00 25.80 ? 263 GLY A N 1 ATOM 2059 C CA . GLY A 1 261 A 7.622 -18.439 -27.957 1.00 26.57 ? 263 GLY A CA 1 ATOM 2060 C C . GLY A 1 261 A 6.322 -19.146 -27.652 1.00 27.48 ? 263 GLY A C 1 ATOM 2061 O O . GLY A 1 261 A 5.569 -19.461 -28.562 1.00 27.44 ? 263 GLY A O 1 ATOM 2062 N N . SER A 1 262 ? 6.029 -19.351 -26.364 1.00 28.62 ? 264 SER A N 1 ATOM 2063 C CA . SER A 1 262 ? 4.858 -20.123 -25.984 1.00 30.30 ? 264 SER A CA 1 ATOM 2064 C C . SER A 1 262 ? 3.619 -19.304 -26.270 1.00 29.60 ? 264 SER A C 1 ATOM 2065 O O . SER A 1 262 ? 3.505 -18.143 -25.848 1.00 29.28 ? 264 SER A O 1 ATOM 2066 C CB . SER A 1 262 ? 4.917 -20.535 -24.513 1.00 31.39 ? 264 SER A CB 1 ATOM 2067 O OG . SER A 1 262 ? 4.049 -21.637 -24.326 1.00 35.95 ? 264 SER A OG 1 ATOM 2068 N N . SER A 1 263 ? 2.734 -19.886 -27.064 1.00 28.18 ? 265 SER A N 1 ATOM 2069 C CA . SER A 1 263 ? 1.537 -19.196 -27.488 1.00 27.68 ? 265 SER A CA 1 ATOM 2070 C C . SER A 1 263 ? 0.411 -20.219 -27.482 1.00 27.72 ? 265 SER A C 1 ATOM 2071 O O . SER A 1 263 ? 0.361 -21.095 -26.587 1.00 29.58 ? 265 SER A O 1 ATOM 2072 C CB . SER A 1 263 ? 1.749 -18.593 -28.871 1.00 27.44 ? 265 SER A CB 1 ATOM 2073 O OG . SER A 1 263 ? 0.742 -17.646 -29.118 1.00 31.41 ? 265 SER A OG 1 ATOM 2074 N N . GLY A 1 264 ? -0.460 -20.163 -28.481 1.00 26.52 ? 266 GLY A N 1 ATOM 2075 C CA . GLY A 1 264 ? -1.507 -21.170 -28.576 1.00 25.60 ? 266 GLY A CA 1 ATOM 2076 C C . GLY A 1 264 ? -2.722 -20.600 -29.256 1.00 25.25 ? 266 GLY A C 1 ATOM 2077 O O . GLY A 1 264 ? -2.880 -19.381 -29.353 1.00 24.51 ? 266 GLY A O 1 ATOM 2078 N N . ILE A 1 265 ? -3.547 -21.507 -29.762 1.00 25.64 ? 267 ILE A N 1 ATOM 2079 C CA . ILE A 1 265 ? -4.799 -21.135 -30.369 1.00 25.59 ? 267 ILE A CA 1 ATOM 2080 C C . ILE A 1 265 ? -5.842 -21.484 -29.351 1.00 25.92 ? 267 ILE A C 1 ATOM 2081 O O . ILE A 1 265 ? -5.934 -22.652 -28.899 1.00 26.50 ? 267 ILE A O 1 ATOM 2082 C CB . ILE A 1 265 ? -5.071 -21.915 -31.660 1.00 25.56 ? 267 ILE A CB 1 ATOM 2083 C CG1 . ILE A 1 265 ? -3.960 -21.630 -32.695 1.00 26.54 ? 267 ILE A CG1 1 ATOM 2084 C CG2 . ILE A 1 265 ? -6.447 -21.552 -32.208 1.00 29.74 ? 267 ILE A CG2 1 ATOM 2085 C CD1 . ILE A 1 265 ? -4.169 -22.383 -34.041 1.00 27.57 ? 267 ILE A CD1 1 ATOM 2086 N N . MET A 1 266 ? -6.590 -20.479 -28.951 1.00 24.26 ? 268 MET A N 1 ATOM 2087 C CA . MET A 1 266 ? -7.712 -20.683 -28.070 1.00 26.70 ? 268 MET A CA 1 ATOM 2088 C C . MET A 1 266 ? -8.995 -20.725 -28.880 1.00 25.37 ? 268 MET A C 1 ATOM 2089 O O . MET A 1 266 ? -9.277 -19.800 -29.667 1.00 24.12 ? 268 MET A O 1 ATOM 2090 C CB . MET A 1 266 ? -7.802 -19.526 -27.093 1.00 25.57 ? 268 MET A CB 1 ATOM 2091 C CG . MET A 1 266 ? -9.027 -19.608 -26.206 1.00 28.23 ? 268 MET A CG 1 ATOM 2092 S SD . MET A 1 266 ? -8.961 -18.261 -25.014 1.00 34.62 ? 268 MET A SD 1 ATOM 2093 C CE . MET A 1 266 ? -7.593 -18.899 -24.090 1.00 28.09 ? 268 MET A CE 1 ATOM 2094 N N . LYS A 1 267 ? -9.788 -21.772 -28.671 1.00 24.08 ? 269 LYS A N 1 ATOM 2095 C CA . LYS A 1 267 ? -11.081 -21.848 -29.338 1.00 23.86 ? 269 LYS A CA 1 ATOM 2096 C C . LYS A 1 267 ? -12.107 -21.067 -28.511 1.00 23.87 ? 269 LYS A C 1 ATOM 2097 O O . LYS A 1 267 ? -12.359 -21.392 -27.335 1.00 23.64 ? 269 LYS A O 1 ATOM 2098 C CB . LYS A 1 267 ? -11.516 -23.318 -29.550 1.00 24.10 ? 269 LYS A CB 1 ATOM 2099 C CG . LYS A 1 267 ? -10.688 -24.131 -30.599 1.00 27.64 ? 269 LYS A CG 1 ATOM 2100 C CD . LYS A 1 267 ? -10.810 -23.495 -32.034 1.00 29.25 ? 269 LYS A CD 1 ATOM 2101 C CE . LYS A 1 267 ? -10.877 -24.502 -33.206 1.00 33.00 ? 269 LYS A CE 1 ATOM 2102 N NZ . LYS A 1 267 ? -11.410 -23.894 -34.539 1.00 28.69 ? 269 LYS A NZ 1 ATOM 2103 N N . THR A 1 268 ? -12.660 -20.009 -29.100 1.00 22.75 ? 270 THR A N 1 ATOM 2104 C CA . THR A 1 268 ? -13.635 -19.147 -28.413 1.00 22.94 ? 270 THR A CA 1 ATOM 2105 C C . THR A 1 268 ? -14.493 -18.440 -29.423 1.00 23.02 ? 270 THR A C 1 ATOM 2106 O O . THR A 1 268 ? -14.003 -18.100 -30.499 1.00 23.47 ? 270 THR A O 1 ATOM 2107 C CB . THR A 1 268 ? -12.949 -18.095 -27.481 1.00 23.18 ? 270 THR A CB 1 ATOM 2108 O OG1 . THR A 1 268 ? -13.933 -17.211 -26.946 1.00 22.68 ? 270 THR A OG1 1 ATOM 2109 C CG2 . THR A 1 268 ? -11.877 -17.268 -28.263 1.00 23.22 ? 270 THR A CG2 1 ATOM 2110 N N . GLU A 1 269 ? -15.759 -18.172 -29.055 1.00 23.03 ? 271 GLU A N 1 ATOM 2111 C CA . GLU A 1 269 ? -16.680 -17.380 -29.868 1.00 23.50 ? 271 GLU A CA 1 ATOM 2112 C C . GLU A 1 269 ? -16.652 -15.891 -29.471 1.00 23.10 ? 271 GLU A C 1 ATOM 2113 O O . GLU A 1 269 ? -17.322 -15.032 -30.095 1.00 23.39 ? 271 GLU A O 1 ATOM 2114 C CB . GLU A 1 269 ? -18.112 -17.943 -29.744 1.00 23.77 ? 271 GLU A CB 1 ATOM 2115 C CG . GLU A 1 269 ? -18.234 -19.439 -30.033 1.00 24.73 ? 271 GLU A CG 1 ATOM 2116 C CD . GLU A 1 269 ? -17.619 -19.832 -31.380 1.00 25.13 ? 271 GLU A CD 1 ATOM 2117 O OE1 . GLU A 1 269 ? -18.030 -19.248 -32.403 1.00 24.70 ? 271 GLU A OE1 1 ATOM 2118 O OE2 . GLU A 1 269 ? -16.733 -20.718 -31.393 1.00 27.03 ? 271 GLU A OE2 1 ATOM 2119 N N . GLY A 1 270 ? -15.864 -15.575 -28.441 1.00 22.94 ? 272 GLY A N 1 ATOM 2120 C CA . GLY A 1 270 ? -15.876 -14.234 -27.839 1.00 22.63 ? 272 GLY A CA 1 ATOM 2121 C C . GLY A 1 270 ? -14.941 -13.243 -28.515 1.00 22.55 ? 272 GLY A C 1 ATOM 2122 O O . GLY A 1 270 ? -14.289 -13.569 -29.493 1.00 22.35 ? 272 GLY A O 1 ATOM 2123 N N . THR A 1 271 ? -14.879 -12.038 -27.964 1.00 22.46 ? 273 THR A N 1 ATOM 2124 C CA . THR A 1 271 ? -14.130 -10.939 -28.536 1.00 22.22 ? 273 THR A CA 1 ATOM 2125 C C . THR A 1 271 ? -13.207 -10.354 -27.461 1.00 22.01 ? 273 THR A C 1 ATOM 2126 O O . THR A 1 271 ? -13.468 -10.501 -26.261 1.00 22.27 ? 273 THR A O 1 ATOM 2127 C CB . THR A 1 271 ? -15.087 -9.905 -29.196 1.00 23.04 ? 273 THR A CB 1 ATOM 2128 O OG1 . THR A 1 271 ? -14.373 -9.046 -30.093 1.00 22.98 ? 273 THR A OG1 1 ATOM 2129 C CG2 . THR A 1 271 ? -15.845 -9.060 -28.133 1.00 22.64 ? 273 THR A CG2 1 ATOM 2130 N N . LEU A 1 272 ? -12.106 -9.739 -27.881 1.00 19.86 ? 274 LEU A N 1 ATOM 2131 C CA . LEU A 1 272 ? -11.138 -9.195 -26.932 1.00 20.25 ? 274 LEU A CA 1 ATOM 2132 C C . LEU A 1 272 ? -11.727 -7.983 -26.220 1.00 20.71 ? 274 LEU A C 1 ATOM 2133 O O . LEU A 1 272 ? -12.378 -7.134 -26.857 1.00 21.46 ? 274 LEU A O 1 ATOM 2134 C CB . LEU A 1 272 ? -9.875 -8.761 -27.673 1.00 20.72 ? 274 LEU A CB 1 ATOM 2135 C CG . LEU A 1 272 ? -8.819 -8.058 -26.818 1.00 19.48 ? 274 LEU A CG 1 ATOM 2136 C CD1 . LEU A 1 272 ? -8.272 -9.015 -25.753 1.00 20.03 ? 274 LEU A CD1 1 ATOM 2137 C CD2 . LEU A 1 272 ? -7.706 -7.508 -27.763 1.00 21.76 ? 274 LEU A CD2 1 ATOM 2138 N N . GLU A 1 273 ? -11.562 -7.927 -24.896 1.00 20.28 ? 275 GLU A N 1 ATOM 2139 C CA . GLU A 1 273 ? -12.012 -6.752 -24.144 1.00 21.49 ? 275 GLU A CA 1 ATOM 2140 C C . GLU A 1 273 ? -10.806 -5.967 -23.642 1.00 21.11 ? 275 GLU A C 1 ATOM 2141 O O . GLU A 1 273 ? -9.659 -6.456 -23.712 1.00 22.32 ? 275 GLU A O 1 ATOM 2142 C CB . GLU A 1 273 ? -12.949 -7.164 -22.994 1.00 21.77 ? 275 GLU A CB 1 ATOM 2143 C CG . GLU A 1 273 ? -14.265 -7.777 -23.506 1.00 24.27 ? 275 GLU A CG 1 ATOM 2144 C CD . GLU A 1 273 ? -15.237 -8.160 -22.401 1.00 23.95 ? 275 GLU A CD 1 ATOM 2145 O OE1 . GLU A 1 273 ? -15.587 -7.278 -21.563 1.00 29.13 ? 275 GLU A OE1 1 ATOM 2146 O OE2 . GLU A 1 273 ? -15.668 -9.336 -22.396 1.00 24.82 ? 275 GLU A OE2 1 ATOM 2147 N N . ASN A 1 274 ? -11.062 -4.753 -23.161 1.00 21.28 ? 276 ASN A N 1 ATOM 2148 C CA . ASN A 1 274 ? -9.981 -3.884 -22.675 1.00 21.58 ? 276 ASN A CA 1 ATOM 2149 C C . ASN A 1 274 ? -9.624 -4.275 -21.239 1.00 22.24 ? 276 ASN A C 1 ATOM 2150 O O . ASN A 1 274 ? -10.107 -3.682 -20.272 1.00 23.03 ? 276 ASN A O 1 ATOM 2151 C CB . ASN A 1 274 ? -10.404 -2.402 -22.788 1.00 21.05 ? 276 ASN A CB 1 ATOM 2152 C CG . ASN A 1 274 ? -9.286 -1.454 -22.400 1.00 21.97 ? 276 ASN A CG 1 ATOM 2153 O OD1 . ASN A 1 274 ? -8.146 -1.872 -22.227 1.00 25.29 ? 276 ASN A OD1 1 ATOM 2154 N ND2 . ASN A 1 274 ? -9.611 -0.162 -22.271 1.00 23.56 ? 276 ASN A ND2 1 ATOM 2155 N N . CYS A 1 275 ? -8.813 -5.322 -21.105 1.00 21.94 ? 277 CYS A N 1 ATOM 2156 C CA . CYS A 1 275 ? -8.426 -5.831 -19.797 1.00 23.29 ? 277 CYS A CA 1 ATOM 2157 C C . CYS A 1 275 ? -7.061 -6.482 -19.948 1.00 23.41 ? 277 CYS A C 1 ATOM 2158 O O . CYS A 1 275 ? -6.580 -6.750 -21.086 1.00 22.48 ? 277 CYS A O 1 ATOM 2159 C CB . CYS A 1 275 ? -9.449 -6.822 -19.223 1.00 23.97 ? 277 CYS A CB 1 ATOM 2160 S SG . CYS A 1 275 ? -9.973 -8.176 -20.348 1.00 28.93 ? 277 CYS A SG 1 ATOM 2161 N N . GLU A 1 276 ? -6.434 -6.700 -18.800 1.00 23.53 ? 278 GLU A N 1 ATOM 2162 C CA . GLU A 1 276 ? -5.071 -7.195 -18.731 1.00 23.96 ? 278 GLU A CA 1 ATOM 2163 C C . GLU A 1 276 ? -5.036 -8.423 -17.793 1.00 23.83 ? 278 GLU A C 1 ATOM 2164 O O . GLU A 1 276 ? -5.750 -8.440 -16.774 1.00 24.69 ? 278 GLU A O 1 ATOM 2165 C CB . GLU A 1 276 ? -4.196 -6.040 -18.214 1.00 24.84 ? 278 GLU A CB 1 ATOM 2166 C CG . GLU A 1 276 ? -2.831 -6.437 -17.648 1.00 27.66 ? 278 GLU A CG 1 ATOM 2167 C CD . GLU A 1 276 ? -1.935 -7.029 -18.703 1.00 32.44 ? 278 GLU A CD 1 ATOM 2168 O OE1 . GLU A 1 276 ? -2.241 -6.818 -19.892 1.00 31.47 ? 278 GLU A OE1 1 ATOM 2169 O OE2 . GLU A 1 276 ? -0.924 -7.669 -18.338 1.00 33.42 ? 278 GLU A OE2 1 ATOM 2170 N N . THR A 1 277 ? -4.256 -9.435 -18.142 1.00 23.28 ? 279 THR A N 1 ATOM 2171 C CA . THR A 1 277 ? -4.072 -10.632 -17.290 1.00 23.71 ? 279 THR A CA 1 ATOM 2172 C C . THR A 1 277 ? -2.691 -11.258 -17.450 1.00 24.11 ? 279 THR A C 1 ATOM 2173 O O . THR A 1 277 ? -1.986 -10.977 -18.416 1.00 24.57 ? 279 THR A O 1 ATOM 2174 C CB . THR A 1 277 ? -5.190 -11.703 -17.526 1.00 23.94 ? 279 THR A CB 1 ATOM 2175 O OG1 . THR A 1 277 ? -5.189 -12.683 -16.472 1.00 23.99 ? 279 THR A OG1 1 ATOM 2176 C CG2 . THR A 1 277 ? -5.020 -12.425 -18.878 1.00 22.42 ? 279 THR A CG2 1 ATOM 2177 N N . LYS A 1 278 ? -2.309 -12.091 -16.482 1.00 24.32 ? 280 LYS A N 1 ATOM 2178 C CA . LYS A 1 278 ? -1.123 -12.941 -16.583 1.00 25.44 ? 280 LYS A CA 1 ATOM 2179 C C . LYS A 1 278 ? -1.515 -14.388 -16.937 1.00 24.37 ? 280 LYS A C 1 ATOM 2180 O O . LYS A 1 278 ? -0.652 -15.202 -17.273 1.00 24.75 ? 280 LYS A O 1 ATOM 2181 C CB . LYS A 1 278 ? -0.331 -12.895 -15.245 1.00 25.96 ? 280 LYS A CB 1 ATOM 2182 C CG . LYS A 1 278 ? 0.150 -11.476 -14.872 1.00 27.19 ? 280 LYS A CG 1 ATOM 2183 C CD . LYS A 1 278 ? 0.698 -11.348 -13.414 1.00 29.47 ? 280 LYS A CD 1 ATOM 2184 C CE . LYS A 1 278 ? 0.081 -10.090 -12.759 1.00 35.08 ? 280 LYS A CE 1 ATOM 2185 N NZ . LYS A 1 278 ? 0.999 -9.202 -11.944 1.00 37.79 ? 280 LYS A NZ 1 ATOM 2186 N N . CYS A 1 279 ? -2.812 -14.708 -16.817 1.00 24.33 ? 281 CYS A N 1 ATOM 2187 C CA . CYS A 1 279 ? -3.334 -16.063 -17.010 1.00 23.92 ? 281 CYS A CA 1 ATOM 2188 C C . CYS A 1 279 ? -4.691 -16.023 -17.726 1.00 23.38 ? 281 CYS A C 1 ATOM 2189 O O . CYS A 1 279 ? -5.659 -15.522 -17.171 1.00 23.58 ? 281 CYS A O 1 ATOM 2190 C CB . CYS A 1 279 ? -3.483 -16.789 -15.645 1.00 23.46 ? 281 CYS A CB 1 ATOM 2191 S SG . CYS A 1 279 ? -4.222 -18.416 -15.787 1.00 26.20 ? 281 CYS A SG 1 ATOM 2192 N N . GLN A 1 280 ? -4.754 -16.506 -18.968 1.00 23.30 ? 282 GLN A N 1 ATOM 2193 C CA . GLN A 1 280 ? -5.997 -16.473 -19.729 1.00 22.84 ? 282 GLN A CA 1 ATOM 2194 C C . GLN A 1 280 ? -6.569 -17.887 -19.903 1.00 22.28 ? 282 GLN A C 1 ATOM 2195 O O . GLN A 1 280 ? -5.853 -18.814 -20.282 1.00 23.23 ? 282 GLN A O 1 ATOM 2196 C CB . GLN A 1 280 ? -5.765 -15.862 -21.123 1.00 22.92 ? 282 GLN A CB 1 ATOM 2197 C CG . GLN A 1 280 ? -7.038 -15.696 -21.906 1.00 21.06 ? 282 GLN A CG 1 ATOM 2198 C CD . GLN A 1 280 ? -7.917 -14.618 -21.306 1.00 21.25 ? 282 GLN A CD 1 ATOM 2199 O OE1 . GLN A 1 280 ? -7.471 -13.494 -21.114 1.00 21.63 ? 282 GLN A OE1 1 ATOM 2200 N NE2 . GLN A 1 280 ? -9.167 -14.970 -20.992 1.00 22.22 ? 282 GLN A NE2 1 ATOM 2201 N N . THR A 1 281 ? -7.859 -18.040 -19.629 1.00 23.07 ? 283 THR A N 1 ATOM 2202 C CA . THR A 1 281 ? -8.572 -19.273 -20.025 1.00 23.84 ? 283 THR A CA 1 ATOM 2203 C C . THR A 1 281 ? -9.645 -18.947 -21.076 1.00 25.03 ? 283 THR A C 1 ATOM 2204 O O . THR A 1 281 ? -10.047 -17.789 -21.224 1.00 23.76 ? 283 THR A O 1 ATOM 2205 C CB . THR A 1 281 ? -9.220 -20.000 -18.817 1.00 24.03 ? 283 THR A CB 1 ATOM 2206 O OG1 . THR A 1 281 ? -10.547 -19.505 -18.612 1.00 24.17 ? 283 THR A OG1 1 ATOM 2207 C CG2 . THR A 1 281 ? -8.396 -19.797 -17.559 1.00 24.50 ? 283 THR A CG2 1 ATOM 2208 N N . PRO A 1 282 ? -10.166 -19.970 -21.775 1.00 26.06 ? 284 PRO A N 1 ATOM 2209 C CA . PRO A 1 282 ? -11.239 -19.661 -22.721 1.00 26.93 ? 284 PRO A CA 1 ATOM 2210 C C . PRO A 1 282 ? -12.513 -19.128 -22.089 1.00 27.91 ? 284 PRO A C 1 ATOM 2211 O O . PRO A 1 282 ? -13.304 -18.458 -22.774 1.00 29.22 ? 284 PRO A O 1 ATOM 2212 C CB . PRO A 1 282 ? -11.510 -21.021 -23.409 1.00 26.75 ? 284 PRO A CB 1 ATOM 2213 C CG . PRO A 1 282 ? -10.271 -21.824 -23.168 1.00 26.33 ? 284 PRO A CG 1 ATOM 2214 C CD . PRO A 1 282 ? -9.833 -21.405 -21.791 1.00 26.04 ? 284 PRO A CD 1 ATOM 2215 N N . LEU A 1 283 ? -12.731 -19.421 -20.803 1.00 27.43 ? 285 LEU A N 1 ATOM 2216 C CA . LEU A 1 283 ? -13.873 -18.919 -20.076 1.00 27.20 ? 285 LEU A CA 1 ATOM 2217 C C . LEU A 1 283 ? -13.695 -17.484 -19.569 1.00 26.22 ? 285 LEU A C 1 ATOM 2218 O O . LEU A 1 283 ? -14.669 -16.797 -19.320 1.00 27.13 ? 285 LEU A O 1 ATOM 2219 C CB . LEU A 1 283 ? -14.192 -19.842 -18.889 1.00 27.14 ? 285 LEU A CB 1 ATOM 2220 C CG . LEU A 1 283 ? -14.599 -21.269 -19.276 1.00 29.63 ? 285 LEU A CG 1 ATOM 2221 C CD1 . LEU A 1 283 ? -14.954 -22.060 -18.009 1.00 30.46 ? 285 LEU A CD1 1 ATOM 2222 C CD2 . LEU A 1 283 ? -15.791 -21.266 -20.242 1.00 31.40 ? 285 LEU A CD2 1 ATOM 2223 N N . GLY A 1 284 ? -12.442 -17.041 -19.415 1.00 25.37 ? 286 GLY A N 1 ATOM 2224 C CA . GLY A 1 284 ? -12.129 -15.764 -18.770 1.00 23.85 ? 286 GLY A CA 1 ATOM 2225 C C . GLY A 1 284 ? -10.753 -15.811 -18.124 1.00 23.09 ? 286 GLY A C 1 ATOM 2226 O O . GLY A 1 284 ? -10.133 -16.877 -18.036 1.00 22.30 ? 286 GLY A O 1 ATOM 2227 N N . ALA A 1 285 ? -10.284 -14.654 -17.679 1.00 23.39 ? 287 ALA A N 1 ATOM 2228 C CA . ALA A 1 285 ? -8.951 -14.484 -17.127 1.00 23.31 ? 287 ALA A CA 1 ATOM 2229 C C . ALA A 1 285 ? -8.913 -14.729 -15.617 1.00 23.71 ? 287 ALA A C 1 ATOM 2230 O O . ALA A 1 285 ? -9.871 -14.407 -14.895 1.00 23.67 ? 287 ALA A O 1 ATOM 2231 C CB . ALA A 1 285 ? -8.417 -13.083 -17.442 1.00 24.31 ? 287 ALA A CB 1 ATOM 2232 N N . ILE A 1 286 ? -7.790 -15.282 -15.161 1.00 22.77 ? 288 ILE A N 1 ATOM 2233 C CA . ILE A 1 286 ? -7.583 -15.600 -13.735 1.00 23.29 ? 288 ILE A CA 1 ATOM 2234 C C . ILE A 1 286 ? -6.578 -14.617 -13.147 1.00 24.39 ? 288 ILE A C 1 ATOM 2235 O O . ILE A 1 286 ? -5.536 -14.352 -13.748 1.00 24.28 ? 288 ILE A O 1 ATOM 2236 C CB . ILE A 1 286 ? -7.067 -17.031 -13.550 1.00 23.31 ? 288 ILE A CB 1 ATOM 2237 C CG1 . ILE A 1 286 ? -8.156 -18.046 -13.928 1.00 23.86 ? 288 ILE A CG1 1 ATOM 2238 C CG2 . ILE A 1 286 ? -6.574 -17.265 -12.120 1.00 22.47 ? 288 ILE A CG2 1 ATOM 2239 C CD1 . ILE A 1 286 ? -7.659 -19.499 -13.977 1.00 24.19 ? 288 ILE A CD1 1 ATOM 2240 N N . ASN A 1 287 ? -6.907 -14.068 -11.973 1.00 25.20 ? 289 ASN A N 1 ATOM 2241 C CA . ASN A 1 287 ? -6.000 -13.211 -11.201 1.00 26.70 ? 289 ASN A CA 1 ATOM 2242 C C . ASN A 1 287 ? -5.963 -13.742 -9.770 1.00 26.83 ? 289 ASN A C 1 ATOM 2243 O O . ASN A 1 287 ? -6.849 -13.425 -8.987 1.00 27.13 ? 289 ASN A O 1 ATOM 2244 C CB . ASN A 1 287 ? -6.498 -11.757 -11.188 1.00 26.79 ? 289 ASN A CB 1 ATOM 2245 C CG . ASN A 1 287 ? -5.528 -10.794 -10.460 1.00 30.49 ? 289 ASN A CG 1 ATOM 2246 O OD1 . ASN A 1 287 ? -4.473 -11.192 -9.961 1.00 33.39 ? 289 ASN A OD1 1 ATOM 2247 N ND2 . ASN A 1 287 ? -5.888 -9.509 -10.422 1.00 34.35 ? 289 ASN A ND2 1 ATOM 2248 N N . THR A 1 288 ? -4.976 -14.569 -9.454 1.00 27.66 ? 290 THR A N 1 ATOM 2249 C CA . THR A 1 288 ? -4.908 -15.216 -8.133 1.00 27.67 ? 290 THR A CA 1 ATOM 2250 C C . THR A 1 288 ? -3.466 -15.465 -7.722 1.00 28.89 ? 290 THR A C 1 ATOM 2251 O O . THR A 1 288 ? -2.566 -15.521 -8.574 1.00 28.65 ? 290 THR A O 1 ATOM 2252 C CB . THR A 1 288 ? -5.685 -16.566 -8.125 1.00 27.29 ? 290 THR A CB 1 ATOM 2253 O OG1 . THR A 1 288 ? -5.887 -17.029 -6.775 1.00 27.82 ? 290 THR A OG1 1 ATOM 2254 C CG2 . THR A 1 288 ? -4.950 -17.637 -8.948 1.00 27.05 ? 290 THR A CG2 1 ATOM 2255 N N . THR A 1 289 ? -3.258 -15.606 -6.409 1.00 30.02 ? 291 THR A N 1 ATOM 2256 C CA . THR A 1 289 ? -2.012 -16.124 -5.844 1.00 31.42 ? 291 THR A CA 1 ATOM 2257 C C . THR A 1 289 ? -2.167 -17.585 -5.359 1.00 31.01 ? 291 THR A C 1 ATOM 2258 O O . THR A 1 289 ? -1.186 -18.223 -4.926 1.00 31.26 ? 291 THR A O 1 ATOM 2259 C CB . THR A 1 289 ? -1.530 -15.244 -4.655 1.00 31.92 ? 291 THR A CB 1 ATOM 2260 O OG1 . THR A 1 289 ? -2.612 -15.067 -3.730 1.00 34.48 ? 291 THR A OG1 1 ATOM 2261 C CG2 . THR A 1 289 ? -1.074 -13.868 -5.142 1.00 33.72 ? 291 THR A CG2 1 ATOM 2262 N N . LEU A 1 290 ? -3.388 -18.113 -5.415 1.00 29.80 ? 292 LEU A N 1 ATOM 2263 C CA . LEU A 1 290 ? -3.626 -19.495 -5.005 1.00 29.03 ? 292 LEU A CA 1 ATOM 2264 C C . LEU A 1 290 ? -2.924 -20.479 -5.954 1.00 29.11 ? 292 LEU A C 1 ATOM 2265 O O . LEU A 1 290 ? -2.826 -20.211 -7.155 1.00 28.46 ? 292 LEU A O 1 ATOM 2266 C CB . LEU A 1 290 ? -5.131 -19.770 -4.913 1.00 29.27 ? 292 LEU A CB 1 ATOM 2267 C CG . LEU A 1 290 ? -5.919 -18.951 -3.872 1.00 28.92 ? 292 LEU A CG 1 ATOM 2268 C CD1 . LEU A 1 290 ? -7.330 -19.495 -3.796 1.00 27.56 ? 292 LEU A CD1 1 ATOM 2269 C CD2 . LEU A 1 290 ? -5.277 -18.953 -2.461 1.00 30.27 ? 292 LEU A CD2 1 ATOM 2270 N N . PRO A 1 291 ? -2.412 -21.602 -5.420 1.00 28.42 ? 293 PRO A N 1 ATOM 2271 C CA . PRO A 1 291 ? -1.685 -22.589 -6.234 1.00 28.07 ? 293 PRO A CA 1 ATOM 2272 C C . PRO A 1 291 ? -2.514 -23.451 -7.189 1.00 27.64 ? 293 PRO A C 1 ATOM 2273 O O . PRO A 1 291 ? -1.962 -23.945 -8.179 1.00 28.28 ? 293 PRO A O 1 ATOM 2274 C CB . PRO A 1 291 ? -1.042 -23.484 -5.177 1.00 28.19 ? 293 PRO A CB 1 ATOM 2275 C CG . PRO A 1 291 ? -2.001 -23.427 -4.032 1.00 28.58 ? 293 PRO A CG 1 ATOM 2276 C CD . PRO A 1 291 ? -2.448 -22.003 -3.995 1.00 28.85 ? 293 PRO A CD 1 ATOM 2277 N N . PHE A 1 292 ? -3.794 -23.681 -6.894 1.00 26.42 ? 294 PHE A N 1 ATOM 2278 C CA . PHE A 1 292 ? -4.649 -24.485 -7.781 1.00 26.00 ? 294 PHE A CA 1 ATOM 2279 C C . PHE A 1 292 ? -5.808 -23.648 -8.324 1.00 25.11 ? 294 PHE A C 1 ATOM 2280 O O . PHE A 1 292 ? -6.169 -22.633 -7.721 1.00 24.24 ? 294 PHE A O 1 ATOM 2281 C CB . PHE A 1 292 ? -5.251 -25.683 -7.047 1.00 26.72 ? 294 PHE A CB 1 ATOM 2282 C CG . PHE A 1 292 ? -4.247 -26.677 -6.561 1.00 27.62 ? 294 PHE A CG 1 ATOM 2283 C CD1 . PHE A 1 292 ? -3.753 -27.662 -7.413 1.00 30.88 ? 294 PHE A CD1 1 ATOM 2284 C CD2 . PHE A 1 292 ? -3.813 -26.644 -5.242 1.00 29.46 ? 294 PHE A CD2 1 ATOM 2285 C CE1 . PHE A 1 292 ? -2.824 -28.613 -6.943 1.00 33.61 ? 294 PHE A CE1 1 ATOM 2286 C CE2 . PHE A 1 292 ? -2.892 -27.578 -4.757 1.00 31.21 ? 294 PHE A CE2 1 ATOM 2287 C CZ . PHE A 1 292 ? -2.398 -28.562 -5.602 1.00 30.79 ? 294 PHE A CZ 1 ATOM 2288 N N . HIS A 1 293 ? -6.377 -24.077 -9.455 1.00 24.40 ? 295 HIS A N 1 ATOM 2289 C CA . HIS A 1 293 ? -7.668 -23.541 -9.922 1.00 23.94 ? 295 HIS A CA 1 ATOM 2290 C C . HIS A 1 293 ? -8.490 -24.651 -10.567 1.00 23.99 ? 295 HIS A C 1 ATOM 2291 O O . HIS A 1 293 ? -7.944 -25.698 -10.966 1.00 24.32 ? 295 HIS A O 1 ATOM 2292 C CB . HIS A 1 293 ? -7.482 -22.364 -10.906 1.00 22.87 ? 295 HIS A CB 1 ATOM 2293 C CG . HIS A 1 293 ? -7.082 -22.793 -12.288 1.00 24.40 ? 295 HIS A CG 1 ATOM 2294 N ND1 . HIS A 1 293 ? -7.986 -22.938 -13.324 1.00 23.76 ? 295 HIS A ND1 1 ATOM 2295 C CD2 . HIS A 1 293 ? -5.874 -23.147 -12.790 1.00 24.98 ? 295 HIS A CD2 1 ATOM 2296 C CE1 . HIS A 1 293 ? -7.348 -23.348 -14.407 1.00 22.47 ? 295 HIS A CE1 1 ATOM 2297 N NE2 . HIS A 1 293 ? -6.068 -23.488 -14.110 1.00 23.36 ? 295 HIS A NE2 1 ATOM 2298 N N . ASN A 1 294 ? -9.794 -24.440 -10.682 1.00 23.13 ? 296 ASN A N 1 ATOM 2299 C CA . ASN A 1 294 ? -10.648 -25.405 -11.363 1.00 23.87 ? 296 ASN A CA 1 ATOM 2300 C C . ASN A 1 294 ? -11.461 -24.789 -12.520 1.00 23.95 ? 296 ASN A C 1 ATOM 2301 O O . ASN A 1 294 ? -12.553 -25.263 -12.857 1.00 23.81 ? 296 ASN A O 1 ATOM 2302 C CB . ASN A 1 294 ? -11.550 -26.120 -10.345 1.00 23.39 ? 296 ASN A CB 1 ATOM 2303 C CG . ASN A 1 294 ? -12.629 -25.209 -9.750 1.00 24.84 ? 296 ASN A CG 1 ATOM 2304 O OD1 . ASN A 1 294 ? -12.697 -24.013 -10.052 1.00 23.47 ? 296 ASN A OD1 1 ATOM 2305 N ND2 . ASN A 1 294 ? -13.470 -25.779 -8.880 1.00 24.20 ? 296 ASN A ND2 1 ATOM 2306 N N . VAL A 1 295 ? -10.920 -23.731 -13.123 1.00 24.18 ? 297 VAL A N 1 ATOM 2307 C CA . VAL A 1 295 ? -11.690 -22.927 -14.083 1.00 25.28 ? 297 VAL A CA 1 ATOM 2308 C C . VAL A 1 295 ? -11.827 -23.625 -15.444 1.00 25.91 ? 297 VAL A C 1 ATOM 2309 O O . VAL A 1 295 ? -12.948 -23.804 -15.921 1.00 27.44 ? 297 VAL A O 1 ATOM 2310 C CB . VAL A 1 295 ? -11.100 -21.489 -14.237 1.00 24.91 ? 297 VAL A CB 1 ATOM 2311 C CG1 . VAL A 1 295 ? -11.720 -20.767 -15.437 1.00 25.74 ? 297 VAL A CG1 1 ATOM 2312 C CG2 . VAL A 1 295 ? -11.324 -20.675 -12.926 1.00 25.28 ? 297 VAL A CG2 1 ATOM 2313 N N . HIS A 1 296 ? -10.693 -24.048 -16.009 1.00 26.31 ? 298 HIS A N 1 ATOM 2314 C CA . HIS A 1 296 ? -10.593 -24.690 -17.331 1.00 27.18 ? 298 HIS A CA 1 ATOM 2315 C C . HIS A 1 296 ? -9.211 -25.303 -17.508 1.00 27.61 ? 298 HIS A C 1 ATOM 2316 O O . HIS A 1 296 ? -8.221 -24.720 -17.078 1.00 28.08 ? 298 HIS A O 1 ATOM 2317 C CB . HIS A 1 296 ? -10.858 -23.643 -18.449 1.00 27.46 ? 298 HIS A CB 1 ATOM 2318 C CG . HIS A 1 296 ? -11.176 -24.242 -19.786 1.00 28.66 ? 298 HIS A CG 1 ATOM 2319 N ND1 . HIS A 1 296 ? -10.209 -24.779 -20.610 1.00 32.24 ? 298 HIS A ND1 1 ATOM 2320 C CD2 . HIS A 1 296 ? -12.355 -24.406 -20.432 1.00 30.31 ? 298 HIS A CD2 1 ATOM 2321 C CE1 . HIS A 1 296 ? -10.779 -25.234 -21.715 1.00 32.15 ? 298 HIS A CE1 1 ATOM 2322 N NE2 . HIS A 1 296 ? -12.079 -25.021 -21.631 1.00 29.51 ? 298 HIS A NE2 1 ATOM 2323 N N . PRO A 1 297 ? -9.117 -26.496 -18.132 1.00 29.10 ? 299 PRO A N 1 ATOM 2324 C CA . PRO A 1 297 ? -7.804 -27.107 -18.343 1.00 29.71 ? 299 PRO A CA 1 ATOM 2325 C C . PRO A 1 297 ? -6.883 -26.386 -19.338 1.00 30.36 ? 299 PRO A C 1 ATOM 2326 O O . PRO A 1 297 ? -5.665 -26.519 -19.247 1.00 31.01 ? 299 PRO A O 1 ATOM 2327 C CB . PRO A 1 297 ? -8.145 -28.527 -18.834 1.00 29.92 ? 299 PRO A CB 1 ATOM 2328 C CG . PRO A 1 297 ? -9.493 -28.405 -19.423 1.00 30.15 ? 299 PRO A CG 1 ATOM 2329 C CD . PRO A 1 297 ? -10.207 -27.376 -18.603 1.00 29.89 ? 299 PRO A CD 1 ATOM 2330 N N . LEU A 1 298 ? -7.456 -25.613 -20.257 1.00 30.71 ? 300 LEU A N 1 ATOM 2331 C CA . LEU A 1 298 ? -6.665 -25.060 -21.359 1.00 31.43 ? 300 LEU A CA 1 ATOM 2332 C C . LEU A 1 298 ? -6.378 -23.610 -21.091 1.00 31.24 ? 300 LEU A C 1 ATOM 2333 O O . LEU A 1 298 ? -7.161 -22.736 -21.456 1.00 33.32 ? 300 LEU A O 1 ATOM 2334 C CB . LEU A 1 298 ? -7.372 -25.238 -22.705 1.00 31.31 ? 300 LEU A CB 1 ATOM 2335 C CG . LEU A 1 298 ? -7.588 -26.679 -23.191 1.00 33.23 ? 300 LEU A CG 1 ATOM 2336 C CD1 . LEU A 1 298 ? -8.484 -26.711 -24.425 1.00 36.53 ? 300 LEU A CD1 1 ATOM 2337 C CD2 . LEU A 1 298 ? -6.258 -27.377 -23.448 1.00 33.23 ? 300 LEU A CD2 1 ATOM 2338 N N . THR A 1 299 ? -5.253 -23.371 -20.453 1.00 30.53 ? 301 THR A N 1 ATOM 2339 C CA . THR A 1 299 ? -4.858 -22.022 -20.079 1.00 29.97 ? 301 THR A CA 1 ATOM 2340 C C . THR A 1 299 ? -3.591 -21.588 -20.798 1.00 30.12 ? 301 THR A C 1 ATOM 2341 O O . THR A 1 299 ? -2.756 -22.417 -21.227 1.00 30.95 ? 301 THR A O 1 ATOM 2342 C CB . THR A 1 299 ? -4.671 -21.863 -18.539 1.00 29.74 ? 301 THR A CB 1 ATOM 2343 O OG1 . THR A 1 299 ? -3.518 -22.600 -18.103 1.00 31.31 ? 301 THR A OG1 1 ATOM 2344 C CG2 . THR A 1 299 ? -5.898 -22.353 -17.796 1.00 28.56 ? 301 THR A CG2 1 ATOM 2345 N N . ILE A 1 300 ? -3.454 -20.277 -20.931 1.00 29.10 ? 302 ILE A N 1 ATOM 2346 C CA . ILE A 1 300 ? -2.248 -19.683 -21.469 1.00 29.45 ? 302 ILE A CA 1 ATOM 2347 C C . ILE A 1 300 ? -1.707 -18.631 -20.513 1.00 29.34 ? 302 ILE A C 1 ATOM 2348 O O . ILE A 1 300 ? -2.463 -17.834 -19.974 1.00 28.44 ? 302 ILE A O 1 ATOM 2349 C CB . ILE A 1 300 ? -2.499 -19.117 -22.904 1.00 30.11 ? 302 ILE A CB 1 ATOM 2350 C CG1 . ILE A 1 300 ? -3.005 -20.247 -23.821 1.00 31.10 ? 302 ILE A CG1 1 ATOM 2351 C CG2 . ILE A 1 300 ? -1.229 -18.522 -23.474 1.00 30.85 ? 302 ILE A CG2 1 ATOM 2352 C CD1 . ILE A 1 300 ? -3.897 -19.778 -24.969 1.00 34.18 ? 302 ILE A CD1 1 ATOM 2353 N N . GLY A 1 301 ? -0.392 -18.658 -20.281 1.00 29.59 ? 303 GLY A N 1 ATOM 2354 C CA . GLY A 1 301 ? 0.271 -17.674 -19.443 1.00 31.00 ? 303 GLY A CA 1 ATOM 2355 C C . GLY A 1 301 ? 0.810 -18.311 -18.172 1.00 32.17 ? 303 GLY A C 1 ATOM 2356 O O . GLY A 1 301 ? 1.082 -19.520 -18.136 1.00 33.24 ? 303 GLY A O 1 ATOM 2357 N N . GLU A 1 302 ? 0.976 -17.480 -17.150 1.00 32.03 ? 304 GLU A N 1 ATOM 2358 C CA . GLU A 1 302 ? 1.521 -17.881 -15.853 1.00 32.82 ? 304 GLU A CA 1 ATOM 2359 C C . GLU A 1 302 ? 0.358 -18.207 -14.931 1.00 31.79 ? 304 GLU A C 1 ATOM 2360 O O . GLU A 1 302 ? -0.246 -17.313 -14.344 1.00 31.68 ? 304 GLU A O 1 ATOM 2361 C CB . GLU A 1 302 ? 2.378 -16.753 -15.305 1.00 33.24 ? 304 GLU A CB 1 ATOM 2362 C CG . GLU A 1 302 ? 3.475 -16.359 -16.288 1.00 36.66 ? 304 GLU A CG 1 ATOM 2363 C CD . GLU A 1 302 ? 4.224 -15.115 -15.886 1.00 41.61 ? 304 GLU A CD 1 ATOM 2364 O OE1 . GLU A 1 302 ? 3.703 -13.983 -16.086 1.00 40.78 ? 304 GLU A OE1 1 ATOM 2365 O OE2 . GLU A 1 302 ? 5.364 -15.282 -15.392 1.00 45.77 ? 304 GLU A OE2 1 ATOM 2366 N N . CYS A 1 303 ? 0.024 -19.489 -14.873 1.00 31.10 ? 305 CYS A N 1 ATOM 2367 C CA . CYS A 1 303 ? -1.226 -19.945 -14.268 1.00 31.53 ? 305 CYS A CA 1 ATOM 2368 C C . CYS A 1 303 ? -1.066 -20.880 -13.070 1.00 30.64 ? 305 CYS A C 1 ATOM 2369 O O . CYS A 1 303 ? -0.041 -21.555 -12.938 1.00 30.86 ? 305 CYS A O 1 ATOM 2370 C CB . CYS A 1 303 ? -2.080 -20.657 -15.311 1.00 31.18 ? 305 CYS A CB 1 ATOM 2371 S SG . CYS A 1 303 ? -2.689 -19.539 -16.637 1.00 34.07 ? 305 CYS A SG 1 ATOM 2372 N N . PRO A 1 304 ? -2.118 -20.959 -12.225 1.00 29.93 ? 306 PRO A N 1 ATOM 2373 C CA . PRO A 1 304 ? -2.094 -21.983 -11.184 1.00 29.69 ? 306 PRO A CA 1 ATOM 2374 C C . PRO A 1 304 ? -2.260 -23.354 -11.833 1.00 29.94 ? 306 PRO A C 1 ATOM 2375 O O . PRO A 1 304 ? -2.498 -23.443 -13.042 1.00 30.50 ? 306 PRO A O 1 ATOM 2376 C CB . PRO A 1 304 ? -3.327 -21.655 -10.325 1.00 29.25 ? 306 PRO A CB 1 ATOM 2377 C CG . PRO A 1 304 ? -3.787 -20.292 -10.755 1.00 28.94 ? 306 PRO A CG 1 ATOM 2378 C CD . PRO A 1 304 ? -3.376 -20.184 -12.193 1.00 29.24 ? 306 PRO A CD 1 ATOM 2379 N N . LYS A 1 305 ? -2.145 -24.405 -11.036 1.00 29.88 ? 307 LYS A N 1 ATOM 2380 C CA . LYS A 1 305 ? -2.342 -25.761 -11.521 1.00 30.13 ? 307 LYS A CA 1 ATOM 2381 C C . LYS A 1 305 ? -3.816 -26.107 -11.559 1.00 29.36 ? 307 LYS A C 1 ATOM 2382 O O . LYS A 1 305 ? -4.520 -25.973 -10.551 1.00 28.25 ? 307 LYS A O 1 ATOM 2383 C CB . LYS A 1 305 ? -1.608 -26.755 -10.615 1.00 31.34 ? 307 LYS A CB 1 ATOM 2384 C CG . LYS A 1 305 ? -0.119 -26.439 -10.431 1.00 34.75 ? 307 LYS A CG 1 ATOM 2385 C CD . LYS A 1 305 ? 0.655 -26.601 -11.762 1.00 39.91 ? 307 LYS A CD 1 ATOM 2386 C CE . LYS A 1 305 ? 1.868 -25.669 -11.855 1.00 42.36 ? 307 LYS A CE 1 ATOM 2387 N NZ . LYS A 1 305 ? 1.522 -24.328 -12.445 1.00 43.64 ? 307 LYS A NZ 1 ATOM 2388 N N . TYR A 1 306 ? -4.276 -26.597 -12.706 1.00 28.22 ? 308 TYR A N 1 ATOM 2389 C CA . TYR A 1 306 ? -5.661 -27.002 -12.851 1.00 27.49 ? 308 TYR A CA 1 ATOM 2390 C C . TYR A 1 306 ? -5.942 -28.367 -12.203 1.00 28.19 ? 308 TYR A C 1 ATOM 2391 O O . TYR A 1 306 ? -5.243 -29.352 -12.486 1.00 28.13 ? 308 TYR A O 1 ATOM 2392 C CB . TYR A 1 306 ? -6.052 -27.055 -14.325 1.00 27.48 ? 308 TYR A CB 1 ATOM 2393 C CG . TYR A 1 306 ? -7.441 -27.556 -14.546 1.00 26.35 ? 308 TYR A CG 1 ATOM 2394 C CD1 . TYR A 1 306 ? -8.545 -26.732 -14.320 1.00 25.37 ? 308 TYR A CD1 1 ATOM 2395 C CD2 . TYR A 1 306 ? -7.668 -28.851 -15.010 1.00 26.37 ? 308 TYR A CD2 1 ATOM 2396 C CE1 . TYR A 1 306 ? -9.834 -27.175 -14.537 1.00 26.59 ? 308 TYR A CE1 1 ATOM 2397 C CE2 . TYR A 1 306 ? -8.956 -29.307 -15.231 1.00 27.40 ? 308 TYR A CE2 1 ATOM 2398 C CZ . TYR A 1 306 ? -10.033 -28.480 -14.980 1.00 26.27 ? 308 TYR A CZ 1 ATOM 2399 O OH . TYR A 1 306 ? -11.308 -28.934 -15.184 1.00 26.82 ? 308 TYR A OH 1 ATOM 2400 N N . VAL A 1 307 ? -6.983 -28.413 -11.373 1.00 27.78 ? 309 VAL A N 1 ATOM 2401 C CA . VAL A 1 307 ? -7.575 -29.690 -10.900 1.00 27.68 ? 309 VAL A CA 1 ATOM 2402 C C . VAL A 1 307 ? -9.093 -29.668 -11.103 1.00 27.84 ? 309 VAL A C 1 ATOM 2403 O O . VAL A 1 307 ? -9.707 -28.592 -11.128 1.00 27.47 ? 309 VAL A O 1 ATOM 2404 C CB . VAL A 1 307 ? -7.290 -29.944 -9.384 1.00 27.56 ? 309 VAL A CB 1 ATOM 2405 C CG1 . VAL A 1 307 ? -5.815 -30.215 -9.131 1.00 28.86 ? 309 VAL A CG1 1 ATOM 2406 C CG2 . VAL A 1 307 ? -7.788 -28.762 -8.529 1.00 27.46 ? 309 VAL A CG2 1 ATOM 2407 N N . LYS A 1 308 ? -9.706 -30.849 -11.199 1.00 28.52 ? 310 LYS A N 1 ATOM 2408 C CA . LYS A 1 308 ? -11.172 -30.993 -11.275 1.00 30.30 ? 310 LYS A CA 1 ATOM 2409 C C . LYS A 1 308 ? -11.938 -30.744 -9.953 1.00 30.40 ? 310 LYS A C 1 ATOM 2410 O O . LYS A 1 308 ? -13.178 -30.751 -9.936 1.00 31.67 ? 310 LYS A O 1 ATOM 2411 C CB . LYS A 1 308 ? -11.554 -32.402 -11.755 1.00 30.73 ? 310 LYS A CB 1 ATOM 2412 C CG . LYS A 1 308 ? -11.283 -32.712 -13.203 1.00 33.91 ? 310 LYS A CG 1 ATOM 2413 C CD . LYS A 1 308 ? -12.037 -33.992 -13.558 1.00 37.59 ? 310 LYS A CD 1 ATOM 2414 C CE . LYS A 1 308 ? -12.011 -34.325 -15.046 1.00 42.54 ? 310 LYS A CE 1 ATOM 2415 N NZ . LYS A 1 308 ? -10.998 -35.378 -15.399 1.00 42.44 ? 310 LYS A NZ 1 ATOM 2416 N N . SER A 1 309 ? -11.214 -30.541 -8.859 1.00 29.86 ? 311 SER A N 1 ATOM 2417 C CA . SER A 1 309 ? -11.815 -30.440 -7.528 1.00 29.79 ? 311 SER A CA 1 ATOM 2418 C C . SER A 1 309 ? -12.845 -29.324 -7.421 1.00 29.47 ? 311 SER A C 1 ATOM 2419 O O . SER A 1 309 ? -12.675 -28.265 -8.018 1.00 28.99 ? 311 SER A O 1 ATOM 2420 C CB . SER A 1 309 ? -10.729 -30.204 -6.480 1.00 29.87 ? 311 SER A CB 1 ATOM 2421 O OG . SER A 1 309 ? -9.675 -31.134 -6.637 1.00 29.85 ? 311 SER A OG 1 ATOM 2422 N N . GLU A 1 310 ? -13.906 -29.570 -6.648 1.00 29.47 ? 312 GLU A N 1 ATOM 2423 C CA . GLU A 1 310 ? -14.846 -28.509 -6.313 1.00 30.67 ? 312 GLU A CA 1 ATOM 2424 C C . GLU A 1 310 ? -14.373 -27.737 -5.079 1.00 28.86 ? 312 GLU A C 1 ATOM 2425 O O . GLU A 1 310 ? -14.781 -26.595 -4.861 1.00 28.36 ? 312 GLU A O 1 ATOM 2426 C CB . GLU A 1 310 ? -16.239 -29.074 -6.080 1.00 31.28 ? 312 GLU A CB 1 ATOM 2427 C CG . GLU A 1 310 ? -16.955 -29.556 -7.352 1.00 34.08 ? 312 GLU A CG 1 ATOM 2428 C CD . GLU A 1 310 ? -18.349 -30.128 -7.055 1.00 35.41 ? 312 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 310 ? -18.655 -30.423 -5.869 1.00 41.15 ? 312 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 310 ? -19.140 -30.290 -8.016 1.00 41.83 ? 312 GLU A OE2 1 ATOM 2431 N N . LYS A 1 311 ? -13.512 -28.374 -4.286 1.00 27.57 ? 313 LYS A N 1 ATOM 2432 C CA . LYS A 1 311 ? -12.974 -27.779 -3.066 1.00 27.26 ? 313 LYS A CA 1 ATOM 2433 C C . LYS A 1 311 ? -11.617 -28.365 -2.674 1.00 25.43 ? 313 LYS A C 1 ATOM 2434 O O . LYS A 1 311 ? -11.381 -29.574 -2.778 1.00 24.70 ? 313 LYS A O 1 ATOM 2435 C CB . LYS A 1 311 ? -13.963 -27.910 -1.882 1.00 27.42 ? 313 LYS A CB 1 ATOM 2436 C CG . LYS A 1 311 ? -14.490 -29.318 -1.615 1.00 29.25 ? 313 LYS A CG 1 ATOM 2437 C CD . LYS A 1 311 ? -15.207 -29.410 -0.257 1.00 29.55 ? 313 LYS A CD 1 ATOM 2438 C CE . LYS A 1 311 ? -15.706 -30.832 -0.013 1.00 33.19 ? 313 LYS A CE 1 ATOM 2439 N NZ . LYS A 1 311 ? -16.686 -30.918 1.110 1.00 35.26 ? 313 LYS A NZ 1 ATOM 2440 N N . LEU A 1 312 ? -10.743 -27.480 -2.203 1.00 24.56 ? 314 LEU A N 1 ATOM 2441 C CA . LEU A 1 312 ? -9.480 -27.867 -1.595 1.00 23.67 ? 314 LEU A CA 1 ATOM 2442 C C . LEU A 1 312 ? -9.208 -26.904 -0.436 1.00 23.41 ? 314 LEU A C 1 ATOM 2443 O O . LEU A 1 312 ? -8.710 -25.800 -0.648 1.00 22.76 ? 314 LEU A O 1 ATOM 2444 C CB . LEU A 1 312 ? -8.337 -27.825 -2.613 1.00 23.74 ? 314 LEU A CB 1 ATOM 2445 C CG . LEU A 1 312 ? -8.182 -28.918 -3.674 1.00 25.02 ? 314 LEU A CG 1 ATOM 2446 C CD1 . LEU A 1 312 ? -7.063 -28.553 -4.638 1.00 26.29 ? 314 LEU A CD1 1 ATOM 2447 C CD2 . LEU A 1 312 ? -7.922 -30.299 -3.042 1.00 25.68 ? 314 LEU A CD2 1 ATOM 2448 N N . VAL A 1 313 ? -9.556 -27.328 0.786 1.00 22.07 ? 315 VAL A N 1 ATOM 2449 C CA . VAL A 1 313 ? -9.352 -26.484 1.962 1.00 22.09 ? 315 VAL A CA 1 ATOM 2450 C C . VAL A 1 313 ? -8.478 -27.252 2.941 1.00 21.44 ? 315 VAL A C 1 ATOM 2451 O O . VAL A 1 313 ? -8.816 -28.360 3.359 1.00 20.83 ? 315 VAL A O 1 ATOM 2452 C CB . VAL A 1 313 ? -10.682 -26.073 2.614 1.00 22.27 ? 315 VAL A CB 1 ATOM 2453 C CG1 . VAL A 1 313 ? -10.452 -25.190 3.850 1.00 21.57 ? 315 VAL A CG1 1 ATOM 2454 C CG2 . VAL A 1 313 ? -11.548 -25.345 1.631 1.00 22.64 ? 315 VAL A CG2 1 ATOM 2455 N N . LEU A 1 314 ? -7.329 -26.668 3.262 1.00 21.35 ? 316 LEU A N 1 ATOM 2456 C CA . LEU A 1 314 ? -6.407 -27.224 4.241 1.00 20.67 ? 316 LEU A CA 1 ATOM 2457 C C . LEU A 1 314 ? -6.744 -26.670 5.617 1.00 19.76 ? 316 LEU A C 1 ATOM 2458 O O . LEU A 1 314 ? -6.895 -25.454 5.763 1.00 19.83 ? 316 LEU A O 1 ATOM 2459 C CB . LEU A 1 314 ? -4.978 -26.784 3.907 1.00 21.05 ? 316 LEU A CB 1 ATOM 2460 C CG . LEU A 1 314 ? -4.160 -27.591 2.907 1.00 23.13 ? 316 LEU A CG 1 ATOM 2461 C CD1 . LEU A 1 314 ? -2.957 -26.721 2.497 1.00 26.39 ? 316 LEU A CD1 1 ATOM 2462 C CD2 . LEU A 1 314 ? -3.721 -28.948 3.465 1.00 20.78 ? 316 LEU A CD2 1 ATOM 2463 N N . ALA A 1 315 ? -6.864 -27.543 6.619 1.00 19.16 ? 317 ALA A N 1 ATOM 2464 C CA . ALA A 1 315 ? -6.944 -27.072 7.997 1.00 18.42 ? 317 ALA A CA 1 ATOM 2465 C C . ALA A 1 315 ? -5.585 -26.509 8.390 1.00 18.55 ? 317 ALA A C 1 ATOM 2466 O O . ALA A 1 315 ? -4.540 -27.091 8.053 1.00 18.10 ? 317 ALA A O 1 ATOM 2467 C CB . ALA A 1 315 ? -7.341 -28.199 8.938 1.00 18.02 ? 317 ALA A CB 1 ATOM 2468 N N . THR A 1 316 ? -5.605 -25.394 9.120 1.00 17.44 ? 318 THR A N 1 ATOM 2469 C CA . THR A 1 316 ? -4.392 -24.847 9.673 1.00 17.29 ? 318 THR A CA 1 ATOM 2470 C C . THR A 1 316 ? -4.536 -24.786 11.209 1.00 16.90 ? 318 THR A C 1 ATOM 2471 O O . THR A 1 316 ? -3.646 -25.203 11.933 1.00 16.33 ? 318 THR A O 1 ATOM 2472 C CB . THR A 1 316 ? -4.046 -23.458 9.083 1.00 17.59 ? 318 THR A CB 1 ATOM 2473 O OG1 . THR A 1 316 ? -5.144 -22.567 9.269 1.00 18.72 ? 318 THR A OG1 1 ATOM 2474 C CG2 . THR A 1 316 ? -3.712 -23.562 7.566 1.00 17.51 ? 318 THR A CG2 1 ATOM 2475 N N . GLY A 1 317 ? -5.685 -24.296 11.670 1.00 16.32 ? 319 GLY A N 1 ATOM 2476 C CA . GLY A 1 317 ? -6.009 -24.312 13.106 1.00 16.44 ? 319 GLY A CA 1 ATOM 2477 C C . GLY A 1 317 ? -6.531 -25.643 13.613 1.00 16.28 ? 319 GLY A C 1 ATOM 2478 O O . GLY A 1 317 ? -6.390 -26.677 12.958 1.00 16.67 ? 319 GLY A O 1 ATOM 2479 N N . LEU A 1 318 ? -7.123 -25.627 14.806 1.00 15.58 ? 320 LEU A N 1 ATOM 2480 C CA . LEU A 1 318 ? -7.550 -26.868 15.469 1.00 15.57 ? 320 LEU A CA 1 ATOM 2481 C C . LEU A 1 318 ? -9.063 -27.022 15.347 1.00 15.25 ? 320 LEU A C 1 ATOM 2482 O O . LEU A 1 318 ? -9.737 -26.102 14.859 1.00 15.74 ? 320 LEU A O 1 ATOM 2483 C CB . LEU A 1 318 ? -7.078 -26.916 16.929 1.00 15.78 ? 320 LEU A CB 1 ATOM 2484 C CG . LEU A 1 318 ? -7.501 -25.761 17.835 1.00 16.55 ? 320 LEU A CG 1 ATOM 2485 C CD1 . LEU A 1 318 ? -7.857 -26.285 19.200 1.00 16.09 ? 320 LEU A CD1 1 ATOM 2486 C CD2 . LEU A 1 318 ? -6.405 -24.715 17.897 1.00 19.43 ? 320 LEU A CD2 1 ATOM 2487 N N . ARG A 1 319 ? -9.570 -28.200 15.702 1.00 15.61 ? 321 ARG A N 1 ATOM 2488 C CA . ARG A 1 319 ? -11.012 -28.444 15.776 1.00 17.34 ? 321 ARG A CA 1 ATOM 2489 C C . ARG A 1 319 ? -11.642 -27.340 16.640 1.00 18.53 ? 321 ARG A C 1 ATOM 2490 O O . ARG A 1 319 ? -11.135 -27.043 17.723 1.00 17.87 ? 321 ARG A O 1 ATOM 2491 C CB . ARG A 1 319 ? -11.285 -29.839 16.348 1.00 17.72 ? 321 ARG A CB 1 ATOM 2492 C CG . ARG A 1 319 ? -12.758 -30.207 16.490 1.00 18.41 ? 321 ARG A CG 1 ATOM 2493 C CD . ARG A 1 319 ? -12.923 -31.588 17.073 1.00 21.67 ? 321 ARG A CD 1 ATOM 2494 N NE . ARG A 1 319 ? -12.062 -32.556 16.399 1.00 23.94 ? 321 ARG A NE 1 ATOM 2495 C CZ . ARG A 1 319 ? -12.479 -33.444 15.495 1.00 25.08 ? 321 ARG A CZ 1 ATOM 2496 N NH1 . ARG A 1 319 ? -13.765 -33.525 15.178 1.00 24.47 ? 321 ARG A NH1 1 ATOM 2497 N NH2 . ARG A 1 319 ? -11.602 -34.271 14.930 1.00 24.37 ? 321 ARG A NH2 1 ATOM 2498 N N . ASN A 1 320 ? -12.685 -26.695 16.117 1.00 19.75 ? 322 ASN A N 1 ATOM 2499 C CA . ASN A 1 320 ? -13.358 -25.603 16.822 1.00 21.17 ? 322 ASN A CA 1 ATOM 2500 C C . ASN A 1 320 ? -14.445 -26.224 17.668 1.00 22.65 ? 322 ASN A C 1 ATOM 2501 O O . ASN A 1 320 ? -15.437 -26.742 17.140 1.00 22.27 ? 322 ASN A O 1 ATOM 2502 C CB . ASN A 1 320 ? -13.946 -24.569 15.851 1.00 21.44 ? 322 ASN A CB 1 ATOM 2503 C CG . ASN A 1 320 ? -14.262 -23.230 16.521 1.00 21.57 ? 322 ASN A CG 1 ATOM 2504 O OD1 . ASN A 1 320 ? -13.873 -22.981 17.667 1.00 20.94 ? 322 ASN A OD1 1 ATOM 2505 N ND2 . ASN A 1 320 ? -14.945 -22.343 15.783 1.00 22.45 ? 322 ASN A ND2 1 ATOM 2506 N N . VAL A 1 321 ? -14.233 -26.187 18.983 1.00 24.06 ? 323 VAL A N 1 ATOM 2507 C CA . VAL A 1 321 ? -15.095 -26.881 19.923 1.00 26.38 ? 323 VAL A CA 1 ATOM 2508 C C . VAL A 1 321 ? -15.913 -25.910 20.792 1.00 28.27 ? 323 VAL A C 1 ATOM 2509 O O . VAL A 1 321 ? -15.341 -25.183 21.623 1.00 29.05 ? 323 VAL A O 1 ATOM 2510 C CB . VAL A 1 321 ? -14.287 -27.838 20.858 1.00 26.19 ? 323 VAL A CB 1 ATOM 2511 C CG1 . VAL A 1 321 ? -15.230 -28.641 21.745 1.00 26.48 ? 323 VAL A CG1 1 ATOM 2512 C CG2 . VAL A 1 321 ? -13.389 -28.771 20.051 1.00 26.06 ? 323 VAL A CG2 1 ATOM 2513 N N . PRO A 1 322 ? -17.258 -25.947 20.640 1.00 29.69 ? 324 PRO A N 1 ATOM 2514 C CA . PRO A 1 322 ? -18.258 -25.270 21.494 1.00 30.26 ? 324 PRO A CA 1 ATOM 2515 C C . PRO A 1 322 ? -17.816 -25.087 22.956 1.00 30.78 ? 324 PRO A C 1 ATOM 2516 O O . PRO A 1 322 ? -17.592 -26.077 23.684 1.00 31.40 ? 324 PRO A O 1 ATOM 2517 C CB . PRO A 1 322 ? -19.460 -26.225 21.439 1.00 30.54 ? 324 PRO A CB 1 ATOM 2518 C CG . PRO A 1 322 ? -19.219 -27.122 20.180 1.00 30.25 ? 324 PRO A CG 1 ATOM 2519 C CD . PRO A 1 322 ? -17.910 -26.731 19.573 1.00 29.47 ? 324 PRO A CD 1 ATOM 2520 N N . GLY B 2 1 ? -10.109 -37.390 19.690 1.00 30.70 ? 1 GLY B N 1 ATOM 2521 C CA . GLY B 2 1 ? -8.961 -37.385 18.741 1.00 29.99 ? 1 GLY B CA 1 ATOM 2522 C C . GLY B 2 1 ? -7.868 -38.315 19.220 1.00 29.77 ? 1 GLY B C 1 ATOM 2523 O O . GLY B 2 1 ? -7.962 -38.880 20.322 1.00 29.90 ? 1 GLY B O 1 ATOM 2524 N N . LEU B 2 2 ? -6.813 -38.447 18.419 1.00 29.43 ? 2 LEU B N 1 ATOM 2525 C CA . LEU B 2 2 ? -5.799 -39.478 18.659 1.00 29.43 ? 2 LEU B CA 1 ATOM 2526 C C . LEU B 2 2 ? -5.127 -39.354 20.031 1.00 28.28 ? 2 LEU B C 1 ATOM 2527 O O . LEU B 2 2 ? -4.756 -40.351 20.645 1.00 27.81 ? 2 LEU B O 1 ATOM 2528 C CB . LEU B 2 2 ? -4.756 -39.468 17.536 1.00 30.23 ? 2 LEU B CB 1 ATOM 2529 C CG . LEU B 2 2 ? -4.340 -40.758 16.822 1.00 31.90 ? 2 LEU B CG 1 ATOM 2530 C CD1 . LEU B 2 2 ? -5.487 -41.742 16.536 1.00 30.28 ? 2 LEU B CD1 1 ATOM 2531 C CD2 . LEU B 2 2 ? -3.567 -40.430 15.553 1.00 30.76 ? 2 LEU B CD2 1 ATOM 2532 N N . PHE B 2 3 ? -5.005 -38.123 20.519 1.00 27.28 ? 3 PHE B N 1 ATOM 2533 C CA . PHE B 2 3 ? -4.257 -37.871 21.741 1.00 26.46 ? 3 PHE B CA 1 ATOM 2534 C C . PHE B 2 3 ? -5.131 -37.606 22.955 1.00 25.89 ? 3 PHE B C 1 ATOM 2535 O O . PHE B 2 3 ? -4.631 -37.471 24.071 1.00 25.79 ? 3 PHE B O 1 ATOM 2536 C CB . PHE B 2 3 ? -3.206 -36.795 21.476 1.00 27.01 ? 3 PHE B CB 1 ATOM 2537 C CG . PHE B 2 3 ? -2.140 -37.285 20.579 1.00 26.56 ? 3 PHE B CG 1 ATOM 2538 C CD1 . PHE B 2 3 ? -1.072 -38.012 21.091 1.00 28.86 ? 3 PHE B CD1 1 ATOM 2539 C CD2 . PHE B 2 3 ? -2.246 -37.103 19.200 1.00 29.32 ? 3 PHE B CD2 1 ATOM 2540 C CE1 . PHE B 2 3 ? -0.103 -38.533 20.246 1.00 30.87 ? 3 PHE B CE1 1 ATOM 2541 C CE2 . PHE B 2 3 ? -1.283 -37.621 18.350 1.00 30.14 ? 3 PHE B CE2 1 ATOM 2542 C CZ . PHE B 2 3 ? -0.210 -38.331 18.883 1.00 29.40 ? 3 PHE B CZ 1 ATOM 2543 N N . GLY B 2 4 ? -6.440 -37.570 22.725 1.00 24.75 ? 4 GLY B N 1 ATOM 2544 C CA . GLY B 2 4 ? -7.431 -37.622 23.797 1.00 25.35 ? 4 GLY B CA 1 ATOM 2545 C C . GLY B 2 4 ? -7.691 -36.356 24.595 1.00 24.86 ? 4 GLY B C 1 ATOM 2546 O O . GLY B 2 4 ? -8.484 -36.386 25.522 1.00 24.73 ? 4 GLY B O 1 ATOM 2547 N N . ALA B 2 5 ? -7.044 -35.249 24.219 1.00 25.00 ? 5 ALA B N 1 ATOM 2548 C CA . ALA B 2 5 ? -7.197 -33.973 24.916 1.00 24.84 ? 5 ALA B CA 1 ATOM 2549 C C . ALA B 2 5 ? -8.300 -33.103 24.326 1.00 24.95 ? 5 ALA B C 1 ATOM 2550 O O . ALA B 2 5 ? -9.273 -32.791 25.028 1.00 25.29 ? 5 ALA B O 1 ATOM 2551 C CB . ALA B 2 5 ? -5.873 -33.196 24.944 1.00 24.89 ? 5 ALA B CB 1 ATOM 2552 N N . ILE B 2 6 ? -8.101 -32.658 23.088 1.00 24.23 ? 6 ILE B N 1 ATOM 2553 C CA . ILE B 2 6 ? -9.072 -31.811 22.370 1.00 24.25 ? 6 ILE B CA 1 ATOM 2554 C C . ILE B 2 6 ? -10.382 -32.561 22.145 1.00 25.18 ? 6 ILE B C 1 ATOM 2555 O O . ILE B 2 6 ? -10.385 -33.688 21.653 1.00 24.90 ? 6 ILE B O 1 ATOM 2556 C CB . ILE B 2 6 ? -8.522 -31.221 21.048 1.00 24.06 ? 6 ILE B CB 1 ATOM 2557 C CG1 . ILE B 2 6 ? -7.310 -30.339 21.322 1.00 21.93 ? 6 ILE B CG1 1 ATOM 2558 C CG2 . ILE B 2 6 ? -9.593 -30.368 20.367 1.00 24.46 ? 6 ILE B CG2 1 ATOM 2559 C CD1 . ILE B 2 6 ? -6.581 -29.845 20.051 1.00 23.47 ? 6 ILE B CD1 1 ATOM 2560 N N . ALA B 2 7 ? -11.477 -31.924 22.558 1.00 26.09 ? 7 ALA B N 1 ATOM 2561 C CA . ALA B 2 7 ? -12.809 -32.537 22.621 1.00 27.52 ? 7 ALA B CA 1 ATOM 2562 C C . ALA B 2 7 ? -12.720 -33.900 23.325 1.00 28.00 ? 7 ALA B C 1 ATOM 2563 O O . ALA B 2 7 ? -13.362 -34.884 22.919 1.00 28.36 ? 7 ALA B O 1 ATOM 2564 C CB . ALA B 2 7 ? -13.429 -32.650 21.228 1.00 27.41 ? 7 ALA B CB 1 ATOM 2565 N N . GLY B 2 8 ? -11.871 -33.938 24.350 1.00 28.09 ? 8 GLY B N 1 ATOM 2566 C CA . GLY B 2 8 ? -11.526 -35.176 25.042 1.00 28.37 ? 8 GLY B CA 1 ATOM 2567 C C . GLY B 2 8 ? -11.673 -34.942 26.521 1.00 28.00 ? 8 GLY B C 1 ATOM 2568 O O . GLY B 2 8 ? -12.742 -34.531 26.980 1.00 28.98 ? 8 GLY B O 1 ATOM 2569 N N . PHE B 2 9 ? -10.596 -35.153 27.282 1.00 27.91 ? 9 PHE B N 1 ATOM 2570 C CA . PHE B 2 9 ? -10.655 -34.846 28.714 1.00 27.61 ? 9 PHE B CA 1 ATOM 2571 C C . PHE B 2 9 ? -10.712 -33.347 28.941 1.00 27.59 ? 9 PHE B C 1 ATOM 2572 O O . PHE B 2 9 ? -11.291 -32.891 29.936 1.00 27.48 ? 9 PHE B O 1 ATOM 2573 C CB . PHE B 2 9 ? -9.556 -35.535 29.543 1.00 27.74 ? 9 PHE B CB 1 ATOM 2574 C CG . PHE B 2 9 ? -8.186 -34.933 29.400 1.00 26.51 ? 9 PHE B CG 1 ATOM 2575 C CD1 . PHE B 2 9 ? -7.758 -33.913 30.260 1.00 29.28 ? 9 PHE B CD1 1 ATOM 2576 C CD2 . PHE B 2 9 ? -7.301 -35.421 28.444 1.00 27.24 ? 9 PHE B CD2 1 ATOM 2577 C CE1 . PHE B 2 9 ? -6.465 -33.363 30.146 1.00 29.13 ? 9 PHE B CE1 1 ATOM 2578 C CE2 . PHE B 2 9 ? -6.013 -34.875 28.308 1.00 27.00 ? 9 PHE B CE2 1 ATOM 2579 C CZ . PHE B 2 9 ? -5.596 -33.847 29.166 1.00 28.49 ? 9 PHE B CZ 1 ATOM 2580 N N . ILE B 2 10 ? -10.150 -32.574 28.001 1.00 27.38 ? 10 ILE B N 1 ATOM 2581 C CA . ILE B 2 10 ? -10.394 -31.134 28.006 1.00 27.49 ? 10 ILE B CA 1 ATOM 2582 C C . ILE B 2 10 ? -11.588 -30.938 27.066 1.00 28.13 ? 10 ILE B C 1 ATOM 2583 O O . ILE B 2 10 ? -11.434 -30.874 25.850 1.00 27.38 ? 10 ILE B O 1 ATOM 2584 C CB . ILE B 2 10 ? -9.144 -30.291 27.615 1.00 27.48 ? 10 ILE B CB 1 ATOM 2585 C CG1 . ILE B 2 10 ? -7.996 -30.532 28.609 1.00 27.42 ? 10 ILE B CG1 1 ATOM 2586 C CG2 . ILE B 2 10 ? -9.498 -28.786 27.591 1.00 27.70 ? 10 ILE B CG2 1 ATOM 2587 C CD1 . ILE B 2 10 ? -6.617 -30.084 28.112 1.00 27.14 ? 10 ILE B CD1 1 ATOM 2588 N N . GLU B 2 11 ? -12.781 -30.869 27.662 1.00 29.12 ? 11 GLU B N 1 ATOM 2589 C CA . GLU B 2 11 ? -14.038 -31.084 26.940 1.00 30.50 ? 11 GLU B CA 1 ATOM 2590 C C . GLU B 2 11 ? -14.417 -30.003 25.940 1.00 29.78 ? 11 GLU B C 1 ATOM 2591 O O . GLU B 2 11 ? -15.150 -30.278 24.986 1.00 30.51 ? 11 GLU B O 1 ATOM 2592 C CB . GLU B 2 11 ? -15.188 -31.297 27.927 1.00 30.88 ? 11 GLU B CB 1 ATOM 2593 C CG . GLU B 2 11 ? -15.055 -32.563 28.763 1.00 32.96 ? 11 GLU B CG 1 ATOM 2594 C CD . GLU B 2 11 ? -16.302 -32.893 29.570 1.00 33.77 ? 11 GLU B CD 1 ATOM 2595 O OE1 . GLU B 2 11 ? -16.193 -33.752 30.481 1.00 39.06 ? 11 GLU B OE1 1 ATOM 2596 O OE2 . GLU B 2 11 ? -17.386 -32.299 29.318 1.00 38.02 ? 11 GLU B OE2 1 ATOM 2597 N N . GLY B 2 12 ? -13.921 -28.790 26.152 1.00 29.31 ? 12 GLY B N 1 ATOM 2598 C CA . GLY B 2 12 ? -14.272 -27.659 25.297 1.00 29.51 ? 12 GLY B CA 1 ATOM 2599 C C . GLY B 2 12 ? -13.152 -26.656 25.130 1.00 29.51 ? 12 GLY B C 1 ATOM 2600 O O . GLY B 2 12 ? -12.187 -26.663 25.896 1.00 29.47 ? 12 GLY B O 1 ATOM 2601 N N . GLY B 2 13 ? -13.295 -25.784 24.130 1.00 29.67 ? 13 GLY B N 1 ATOM 2602 C CA . GLY B 2 13 ? -12.352 -24.696 23.892 1.00 29.59 ? 13 GLY B CA 1 ATOM 2603 C C . GLY B 2 13 ? -12.688 -23.399 24.591 1.00 30.22 ? 13 GLY B C 1 ATOM 2604 O O . GLY B 2 13 ? -13.776 -23.248 25.164 1.00 29.48 ? 13 GLY B O 1 ATOM 2605 N N . TRP B 2 14 ? -11.746 -22.462 24.542 1.00 30.36 ? 14 TRP B N 1 ATOM 2606 C CA . TRP B 2 14 ? -11.894 -21.179 25.216 1.00 31.33 ? 14 TRP B CA 1 ATOM 2607 C C . TRP B 2 14 ? -12.007 -20.019 24.241 1.00 32.27 ? 14 TRP B C 1 ATOM 2608 O O . TRP B 2 14 ? -11.001 -19.663 23.561 1.00 32.41 ? 14 TRP B O 1 ATOM 2609 C CB . TRP B 2 14 ? -10.724 -20.927 26.163 1.00 29.94 ? 14 TRP B CB 1 ATOM 2610 C CG . TRP B 2 14 ? -10.642 -21.853 27.327 1.00 29.81 ? 14 TRP B CG 1 ATOM 2611 C CD1 . TRP B 2 14 ? -11.670 -22.532 27.920 1.00 28.43 ? 14 TRP B CD1 1 ATOM 2612 C CD2 . TRP B 2 14 ? -9.467 -22.163 28.082 1.00 27.76 ? 14 TRP B CD2 1 ATOM 2613 N NE1 . TRP B 2 14 ? -11.203 -23.265 28.977 1.00 28.49 ? 14 TRP B NE1 1 ATOM 2614 C CE2 . TRP B 2 14 ? -9.851 -23.064 29.098 1.00 28.22 ? 14 TRP B CE2 1 ATOM 2615 C CE3 . TRP B 2 14 ? -8.118 -21.786 27.980 1.00 28.86 ? 14 TRP B CE3 1 ATOM 2616 C CZ2 . TRP B 2 14 ? -8.938 -23.581 30.034 1.00 28.81 ? 14 TRP B CZ2 1 ATOM 2617 C CZ3 . TRP B 2 14 ? -7.200 -22.306 28.919 1.00 28.90 ? 14 TRP B CZ3 1 ATOM 2618 C CH2 . TRP B 2 14 ? -7.622 -23.195 29.924 1.00 29.03 ? 14 TRP B CH2 1 ATOM 2619 N N . GLN B 2 15 ? -13.231 -19.430 24.192 1.00 33.64 ? 15 GLN B N 1 ATOM 2620 C CA . GLN B 2 15 ? -13.476 -18.181 23.474 1.00 34.74 ? 15 GLN B CA 1 ATOM 2621 C C . GLN B 2 15 ? -12.698 -17.036 24.146 1.00 34.88 ? 15 GLN B C 1 ATOM 2622 O O . GLN B 2 15 ? -12.291 -16.063 23.480 1.00 35.73 ? 15 GLN B O 1 ATOM 2623 C CB . GLN B 2 15 ? -14.979 -17.839 23.484 1.00 34.80 ? 15 GLN B CB 1 ATOM 2624 C CG . GLN B 2 15 ? -15.909 -18.923 22.909 1.00 36.38 ? 15 GLN B CG 1 ATOM 2625 C CD . GLN B 2 15 ? -15.869 -19.041 21.382 1.00 37.09 ? 15 GLN B CD 1 ATOM 2626 O OE1 . GLN B 2 15 ? -15.815 -18.035 20.656 1.00 39.06 ? 15 GLN B OE1 1 ATOM 2627 N NE2 . GLN B 2 15 ? -15.929 -20.274 20.890 1.00 37.17 ? 15 GLN B NE2 1 ATOM 2628 N N . GLY B 2 16 ? -12.499 -17.164 25.464 1.00 35.37 ? 16 GLY B N 1 ATOM 2629 C CA . GLY B 2 16 ? -11.753 -16.183 26.248 1.00 34.86 ? 16 GLY B CA 1 ATOM 2630 C C . GLY B 2 16 ? -10.264 -16.071 25.924 1.00 35.10 ? 16 GLY B C 1 ATOM 2631 O O . GLY B 2 16 ? -9.638 -15.045 26.220 1.00 34.75 ? 16 GLY B O 1 ATOM 2632 N N . MET B 2 17 ? -9.684 -17.112 25.322 1.00 35.40 ? 17 MET B N 1 ATOM 2633 C CA . MET B 2 17 ? -8.253 -17.113 25.003 1.00 35.60 ? 17 MET B CA 1 ATOM 2634 C C . MET B 2 17 ? -7.988 -16.782 23.534 1.00 36.18 ? 17 MET B C 1 ATOM 2635 O O . MET B 2 17 ? -8.021 -17.663 22.666 1.00 35.75 ? 17 MET B O 1 ATOM 2636 C CB . MET B 2 17 ? -7.608 -18.445 25.381 1.00 35.60 ? 17 MET B CB 1 ATOM 2637 C CG . MET B 2 17 ? -6.079 -18.395 25.373 1.00 35.70 ? 17 MET B CG 1 ATOM 2638 S SD . MET B 2 17 ? -5.299 -19.983 25.693 1.00 34.93 ? 17 MET B SD 1 ATOM 2639 C CE . MET B 2 17 ? -5.888 -20.951 24.302 1.00 35.50 ? 17 MET B CE 1 ATOM 2640 N N . VAL B 2 18 ? -7.683 -15.510 23.287 1.00 36.77 ? 18 VAL B N 1 ATOM 2641 C CA . VAL B 2 18 ? -7.703 -14.937 21.941 1.00 37.44 ? 18 VAL B CA 1 ATOM 2642 C C . VAL B 2 18 ? -6.352 -14.874 21.211 1.00 37.59 ? 18 VAL B C 1 ATOM 2643 O O . VAL B 2 18 ? -6.331 -14.757 19.990 1.00 37.95 ? 18 VAL B O 1 ATOM 2644 C CB . VAL B 2 18 ? -8.370 -13.527 21.939 1.00 37.54 ? 18 VAL B CB 1 ATOM 2645 C CG1 . VAL B 2 18 ? -9.771 -13.598 22.535 1.00 37.86 ? 18 VAL B CG1 1 ATOM 2646 C CG2 . VAL B 2 18 ? -7.528 -12.517 22.710 1.00 37.88 ? 18 VAL B CG2 1 ATOM 2647 N N . ASP B 2 19 ? -5.236 -14.942 21.941 1.00 37.94 ? 19 ASP B N 1 ATOM 2648 C CA . ASP B 2 19 ? -3.919 -14.697 21.315 1.00 37.85 ? 19 ASP B CA 1 ATOM 2649 C C . ASP B 2 19 ? -2.989 -15.913 21.225 1.00 36.94 ? 19 ASP B C 1 ATOM 2650 O O . ASP B 2 19 ? -1.762 -15.795 21.344 1.00 36.77 ? 19 ASP B O 1 ATOM 2651 C CB . ASP B 2 19 ? -3.207 -13.510 21.982 1.00 38.57 ? 19 ASP B CB 1 ATOM 2652 C CG . ASP B 2 19 ? -2.932 -13.734 23.447 1.00 40.57 ? 19 ASP B CG 1 ATOM 2653 O OD1 . ASP B 2 19 ? -3.314 -14.797 23.993 1.00 44.10 ? 19 ASP B OD1 1 ATOM 2654 O OD2 . ASP B 2 19 ? -2.338 -12.822 24.069 1.00 42.93 ? 19 ASP B OD2 1 ATOM 2655 N N . GLY B 2 20 ? -3.580 -17.076 20.996 1.00 35.61 ? 20 GLY B N 1 ATOM 2656 C CA . GLY B 2 20 ? -2.809 -18.292 20.822 1.00 34.16 ? 20 GLY B CA 1 ATOM 2657 C C . GLY B 2 20 ? -3.715 -19.488 20.710 1.00 32.99 ? 20 GLY B C 1 ATOM 2658 O O . GLY B 2 20 ? -4.895 -19.414 21.044 1.00 33.03 ? 20 GLY B O 1 ATOM 2659 N N . TRP B 2 21 ? -3.144 -20.589 20.245 1.00 31.60 ? 21 TRP B N 1 ATOM 2660 C CA . TRP B 2 21 ? -3.873 -21.831 20.055 1.00 30.74 ? 21 TRP B CA 1 ATOM 2661 C C . TRP B 2 21 ? -4.008 -22.623 21.361 1.00 29.68 ? 21 TRP B C 1 ATOM 2662 O O . TRP B 2 21 ? -5.004 -23.311 21.574 1.00 29.08 ? 21 TRP B O 1 ATOM 2663 C CB . TRP B 2 21 ? -3.167 -22.684 19.002 1.00 30.90 ? 21 TRP B CB 1 ATOM 2664 C CG . TRP B 2 21 ? -3.504 -22.359 17.537 1.00 31.64 ? 21 TRP B CG 1 ATOM 2665 C CD1 . TRP B 2 21 ? -4.688 -21.865 17.035 1.00 32.07 ? 21 TRP B CD1 1 ATOM 2666 C CD2 . TRP B 2 21 ? -2.647 -22.566 16.402 1.00 31.72 ? 21 TRP B CD2 1 ATOM 2667 N NE1 . TRP B 2 21 ? -4.607 -21.746 15.649 1.00 31.42 ? 21 TRP B NE1 1 ATOM 2668 C CE2 . TRP B 2 21 ? -3.366 -22.166 15.246 1.00 32.38 ? 21 TRP B CE2 1 ATOM 2669 C CE3 . TRP B 2 21 ? -1.341 -23.054 16.250 1.00 32.27 ? 21 TRP B CE3 1 ATOM 2670 C CZ2 . TRP B 2 21 ? -2.810 -22.227 13.964 1.00 30.77 ? 21 TRP B CZ2 1 ATOM 2671 C CZ3 . TRP B 2 21 ? -0.793 -23.114 14.973 1.00 31.44 ? 21 TRP B CZ3 1 ATOM 2672 C CH2 . TRP B 2 21 ? -1.529 -22.706 13.849 1.00 31.27 ? 21 TRP B CH2 1 ATOM 2673 N N . TYR B 2 22 ? -2.984 -22.560 22.209 1.00 29.19 ? 22 TYR B N 1 ATOM 2674 C CA . TYR B 2 22 ? -2.978 -23.304 23.478 1.00 28.80 ? 22 TYR B CA 1 ATOM 2675 C C . TYR B 2 22 ? -2.525 -22.376 24.595 1.00 29.35 ? 22 TYR B C 1 ATOM 2676 O O . TYR B 2 22 ? -1.792 -21.411 24.348 1.00 29.36 ? 22 TYR B O 1 ATOM 2677 C CB . TYR B 2 22 ? -2.013 -24.492 23.415 1.00 28.70 ? 22 TYR B CB 1 ATOM 2678 C CG . TYR B 2 22 ? -1.752 -25.067 22.032 1.00 28.27 ? 22 TYR B CG 1 ATOM 2679 C CD1 . TYR B 2 22 ? -2.781 -25.639 21.275 1.00 27.54 ? 22 TYR B CD1 1 ATOM 2680 C CD2 . TYR B 2 22 ? -0.471 -25.052 21.485 1.00 28.49 ? 22 TYR B CD2 1 ATOM 2681 C CE1 . TYR B 2 22 ? -2.542 -26.172 20.016 1.00 29.71 ? 22 TYR B CE1 1 ATOM 2682 C CE2 . TYR B 2 22 ? -0.224 -25.583 20.217 1.00 28.00 ? 22 TYR B CE2 1 ATOM 2683 C CZ . TYR B 2 22 ? -1.266 -26.142 19.495 1.00 27.85 ? 22 TYR B CZ 1 ATOM 2684 O OH . TYR B 2 22 ? -1.037 -26.672 18.253 1.00 28.54 ? 22 TYR B OH 1 ATOM 2685 N N . GLY B 2 23 ? -2.957 -22.672 25.823 1.00 29.07 ? 23 GLY B N 1 ATOM 2686 C CA . GLY B 2 23 ? -2.570 -21.873 26.978 1.00 29.10 ? 23 GLY B CA 1 ATOM 2687 C C . GLY B 2 23 ? -3.282 -22.218 28.278 1.00 29.06 ? 23 GLY B C 1 ATOM 2688 O O . GLY B 2 23 ? -3.731 -23.354 28.479 1.00 28.60 ? 23 GLY B O 1 ATOM 2689 N N . TYR B 2 24 ? -3.427 -21.201 29.128 1.00 29.21 ? 24 TYR B N 1 ATOM 2690 C CA . TYR B 2 24 ? -3.808 -21.364 30.534 1.00 29.81 ? 24 TYR B CA 1 ATOM 2691 C C . TYR B 2 24 ? -5.012 -20.526 31.000 1.00 30.27 ? 24 TYR B C 1 ATOM 2692 O O . TYR B 2 24 ? -5.284 -19.432 30.475 1.00 30.75 ? 24 TYR B O 1 ATOM 2693 C CB . TYR B 2 24 ? -2.614 -21.003 31.439 1.00 29.73 ? 24 TYR B CB 1 ATOM 2694 C CG . TYR B 2 24 ? -1.284 -21.584 31.018 1.00 29.69 ? 24 TYR B CG 1 ATOM 2695 C CD1 . TYR B 2 24 ? -0.827 -22.789 31.556 1.00 29.10 ? 24 TYR B CD1 1 ATOM 2696 C CD2 . TYR B 2 24 ? -0.468 -20.915 30.114 1.00 29.25 ? 24 TYR B CD2 1 ATOM 2697 C CE1 . TYR B 2 24 ? 0.404 -23.324 31.181 1.00 29.54 ? 24 TYR B CE1 1 ATOM 2698 C CE2 . TYR B 2 24 ? 0.757 -21.447 29.723 1.00 30.08 ? 24 TYR B CE2 1 ATOM 2699 C CZ . TYR B 2 24 ? 1.188 -22.650 30.268 1.00 29.43 ? 24 TYR B CZ 1 ATOM 2700 O OH . TYR B 2 24 ? 2.396 -23.179 29.880 1.00 31.71 ? 24 TYR B OH 1 ATOM 2701 N N . HIS B 2 25 ? -5.701 -21.040 32.027 1.00 31.15 ? 25 HIS B N 1 ATOM 2702 C CA . HIS B 2 25 ? -6.641 -20.266 32.836 1.00 31.92 ? 25 HIS B CA 1 ATOM 2703 C C . HIS B 2 25 ? -6.288 -20.424 34.330 1.00 32.78 ? 25 HIS B C 1 ATOM 2704 O O . HIS B 2 25 ? -6.262 -21.549 34.837 1.00 32.68 ? 25 HIS B O 1 ATOM 2705 C CB . HIS B 2 25 ? -8.073 -20.733 32.568 1.00 31.79 ? 25 HIS B CB 1 ATOM 2706 C CG . HIS B 2 25 ? -9.118 -19.834 33.162 1.00 31.27 ? 25 HIS B CG 1 ATOM 2707 N ND1 . HIS B 2 25 ? -9.597 -18.710 32.506 1.00 31.08 ? 25 HIS B ND1 1 ATOM 2708 C CD2 . HIS B 2 25 ? -9.773 -19.886 34.354 1.00 31.09 ? 25 HIS B CD2 1 ATOM 2709 C CE1 . HIS B 2 25 ? -10.493 -18.100 33.279 1.00 30.87 ? 25 HIS B CE1 1 ATOM 2710 N NE2 . HIS B 2 25 ? -10.623 -18.798 34.400 1.00 31.68 ? 25 HIS B NE2 1 ATOM 2711 N N . HIS B 2 26 ? -6.026 -19.306 35.028 1.00 33.78 ? 26 HIS B N 1 ATOM 2712 C CA . HIS B 2 26 ? -5.645 -19.342 36.456 1.00 35.04 ? 26 HIS B CA 1 ATOM 2713 C C . HIS B 2 26 ? -6.716 -18.746 37.368 1.00 36.18 ? 26 HIS B C 1 ATOM 2714 O O . HIS B 2 26 ? -7.454 -17.811 36.896 1.00 36.37 ? 26 HIS B O 1 ATOM 2715 C CB . HIS B 2 26 ? -4.317 -18.595 36.648 1.00 35.25 ? 26 HIS B CB 1 ATOM 2716 C CG . HIS B 2 26 ? -4.493 -17.109 36.789 1.00 35.01 ? 26 HIS B CG 1 ATOM 2717 N ND1 . HIS B 2 26 ? -4.599 -16.264 35.701 1.00 36.39 ? 26 HIS B ND1 1 ATOM 2718 C CD2 . HIS B 2 26 ? -4.608 -16.320 37.893 1.00 36.51 ? 26 HIS B CD2 1 ATOM 2719 C CE1 . HIS B 2 26 ? -4.763 -15.021 36.105 1.00 35.83 ? 26 HIS B CE1 1 ATOM 2720 N NE2 . HIS B 2 26 ? -4.775 -15.027 37.425 1.00 36.29 ? 26 HIS B NE2 1 ATOM 2721 N N . SER B 2 27 ? -6.750 -19.229 38.629 1.00 37.10 ? 27 SER B N 1 ATOM 2722 C CA . SER B 2 27 ? -7.754 -18.785 39.547 1.00 37.84 ? 27 SER B CA 1 ATOM 2723 C C . SER B 2 27 ? -7.175 -18.703 40.943 1.00 38.33 ? 27 SER B C 1 ATOM 2724 O O . SER B 2 27 ? -6.862 -19.736 41.457 1.00 38.56 ? 27 SER B O 1 ATOM 2725 C CB . SER B 2 27 ? -8.963 -19.737 39.455 1.00 37.74 ? 27 SER B CB 1 ATOM 2726 O OG . SER B 2 27 ? -10.181 -19.022 40.136 1.00 38.88 ? 27 SER B OG 1 ATOM 2727 N N . ASN B 2 28 ? -7.007 -17.485 41.516 1.00 38.83 ? 28 ASN B N 1 ATOM 2728 C CA . ASN B 2 28 ? -6.591 -17.299 42.902 1.00 39.27 ? 28 ASN B CA 1 ATOM 2729 C C . ASN B 2 28 ? -7.299 -16.160 43.689 1.00 39.94 ? 28 ASN B C 1 ATOM 2730 O O . ASN B 2 28 ? -8.372 -15.711 43.297 1.00 39.92 ? 28 ASN B O 1 ATOM 2731 C CB . ASN B 2 28 ? -5.055 -17.185 42.924 1.00 39.14 ? 28 ASN B CB 1 ATOM 2732 C CG . ASN B 2 28 ? -4.486 -16.057 42.209 1.00 38.83 ? 28 ASN B CG 1 ATOM 2733 O OD1 . ASN B 2 28 ? -5.132 -15.035 42.037 1.00 39.98 ? 28 ASN B OD1 1 ATOM 2734 N ND2 . ASN B 2 28 ? -3.261 -16.248 41.659 1.00 40.07 ? 28 ASN B ND2 1 ATOM 2735 N N . ASP B 2 29 ? -6.697 -15.712 44.799 1.00 40.39 ? 29 ASP B N 1 ATOM 2736 C CA . ASP B 2 29 ? -7.243 -14.611 45.620 1.00 41.17 ? 29 ASP B CA 1 ATOM 2737 C C . ASP B 2 29 ? -7.193 -13.263 44.878 1.00 41.45 ? 29 ASP B C 1 ATOM 2738 O O . ASP B 2 29 ? -8.183 -12.426 45.000 1.00 42.08 ? 29 ASP B O 1 ATOM 2739 C CB . ASP B 2 29 ? -6.544 -14.556 46.987 1.00 41.19 ? 29 ASP B CB 1 ATOM 2740 C CG . ASP B 2 29 ? -7.011 -15.731 47.945 1.00 41.48 ? 29 ASP B CG 1 ATOM 2741 O OD1 . ASP B 2 29 ? -7.950 -16.479 47.588 1.00 42.54 ? 29 ASP B OD1 1 ATOM 2742 O OD2 . ASP B 2 29 ? -6.436 -15.922 49.084 1.00 41.45 ? 29 ASP B OD2 1 ATOM 2743 N N . GLN B 2 30 ? -6.076 -13.059 44.061 1.00 42.08 ? 30 GLN B N 1 ATOM 2744 C CA . GLN B 2 30 ? -5.887 -11.836 43.301 1.00 42.15 ? 30 GLN B CA 1 ATOM 2745 C C . GLN B 2 30 ? -6.939 -11.684 42.185 1.00 42.08 ? 30 GLN B C 1 ATOM 2746 O O . GLN B 2 30 ? -7.126 -10.583 41.657 1.00 42.31 ? 30 GLN B O 1 ATOM 2747 C CB . GLN B 2 30 ? -4.480 -11.812 42.648 1.00 42.30 ? 30 GLN B CB 1 ATOM 2748 C CG . GLN B 2 30 ? -3.337 -11.507 43.607 1.00 42.48 ? 30 GLN B CG 1 ATOM 2749 C CD . GLN B 2 30 ? -2.028 -12.120 43.122 1.00 42.57 ? 30 GLN B CD 1 ATOM 2750 O OE1 . GLN B 2 30 ? -1.859 -13.342 43.197 1.00 41.88 ? 30 GLN B OE1 1 ATOM 2751 N NE2 . GLN B 2 30 ? -1.090 -11.276 42.617 1.00 42.19 ? 30 GLN B NE2 1 ATOM 2752 N N . GLY B 2 31 ? -7.626 -12.810 41.736 1.00 41.53 ? 31 GLY B N 1 ATOM 2753 C CA . GLY B 2 31 ? -8.621 -12.876 40.664 1.00 41.48 ? 31 GLY B CA 1 ATOM 2754 C C . GLY B 2 31 ? -8.449 -14.012 39.642 1.00 40.96 ? 31 GLY B C 1 ATOM 2755 O O . GLY B 2 31 ? -8.041 -15.079 40.082 1.00 41.43 ? 31 GLY B O 1 ATOM 2756 N N . SER B 2 32 ? -8.753 -13.848 38.391 1.00 41.03 ? 32 SER B N 1 ATOM 2757 C CA . SER B 2 32 ? -8.691 -14.926 37.347 1.00 40.45 ? 32 SER B CA 1 ATOM 2758 C C . SER B 2 32 ? -8.621 -14.362 35.953 1.00 40.33 ? 32 SER B C 1 ATOM 2759 O O . SER B 2 32 ? -8.885 -13.168 35.716 1.00 40.00 ? 32 SER B O 1 ATOM 2760 C CB . SER B 2 32 ? -9.902 -15.856 37.477 1.00 40.85 ? 32 SER B CB 1 ATOM 2761 O OG . SER B 2 32 ? -11.220 -15.322 36.421 1.00 40.77 ? 32 SER B OG 1 ATOM 2762 N N . GLY B 2 33 ? -8.267 -15.218 35.032 1.00 39.57 ? 33 GLY B N 1 ATOM 2763 C CA . GLY B 2 33 ? -8.126 -14.801 33.652 1.00 39.25 ? 33 GLY B CA 1 ATOM 2764 C C . GLY B 2 33 ? -7.327 -15.741 32.765 1.00 38.71 ? 33 GLY B C 1 ATOM 2765 O O . GLY B 2 33 ? -6.711 -16.703 33.238 1.00 39.10 ? 33 GLY B O 1 ATOM 2766 N N . TYR B 2 34 ? -7.325 -15.441 31.464 1.00 38.42 ? 34 TYR B N 1 ATOM 2767 C CA . TYR B 2 34 ? -6.704 -16.282 30.457 1.00 37.96 ? 34 TYR B CA 1 ATOM 2768 C C . TYR B 2 34 ? -5.342 -15.780 29.993 1.00 38.05 ? 34 TYR B C 1 ATOM 2769 O O . TYR B 2 34 ? -5.038 -14.577 30.065 1.00 38.01 ? 34 TYR B O 1 ATOM 2770 C CB . TYR B 2 34 ? -7.637 -16.392 29.231 1.00 38.02 ? 34 TYR B CB 1 ATOM 2771 C CG . TYR B 2 34 ? -8.999 -17.006 29.454 1.00 37.80 ? 34 TYR B CG 1 ATOM 2772 C CD1 . TYR B 2 34 ? -9.219 -18.382 29.345 1.00 38.40 ? 34 TYR B CD1 1 ATOM 2773 C CD2 . TYR B 2 34 ? -10.073 -16.224 29.849 1.00 38.06 ? 34 TYR B CD2 1 ATOM 2774 C CE1 . TYR B 2 34 ? -10.475 -18.954 29.568 1.00 37.30 ? 34 TYR B CE1 1 ATOM 2775 C CE2 . TYR B 2 34 ? -11.327 -16.776 30.049 1.00 37.51 ? 34 TYR B CE2 1 ATOM 2776 C CZ . TYR B 2 34 ? -11.523 -18.139 29.971 1.00 38.12 ? 34 TYR B CZ 1 ATOM 2777 O OH . TYR B 2 34 ? -12.770 -18.676 30.219 1.00 37.50 ? 34 TYR B OH 1 ATOM 2778 N N . ALA B 2 35 ? -4.530 -16.706 29.433 1.00 37.80 ? 35 ALA B N 1 ATOM 2779 C CA . ALA B 2 35 ? -3.195 -16.401 28.864 1.00 37.70 ? 35 ALA B CA 1 ATOM 2780 C C . ALA B 2 35 ? -2.665 -17.531 27.946 1.00 37.53 ? 35 ALA B C 1 ATOM 2781 O O . ALA B 2 35 ? -2.573 -18.688 28.365 1.00 37.42 ? 35 ALA B O 1 ATOM 2782 C CB . ALA B 2 35 ? -2.174 -16.127 30.016 1.00 37.15 ? 35 ALA B CB 1 ATOM 2783 N N . ALA B 2 36 ? -2.298 -17.187 26.706 1.00 37.95 ? 36 ALA B N 1 ATOM 2784 C CA . ALA B 2 36 ? -1.772 -18.168 25.743 1.00 38.03 ? 36 ALA B CA 1 ATOM 2785 C C . ALA B 2 36 ? -0.342 -18.593 26.090 1.00 38.25 ? 36 ALA B C 1 ATOM 2786 O O . ALA B 2 36 ? 0.438 -17.799 26.630 1.00 38.40 ? 36 ALA B O 1 ATOM 2787 C CB . ALA B 2 36 ? -1.816 -17.610 24.323 1.00 38.29 ? 36 ALA B CB 1 ATOM 2788 N N . ASP B 2 37 ? -0.010 -19.853 25.803 1.00 37.97 ? 37 ASP B N 1 ATOM 2789 C CA . ASP B 2 37 ? 1.369 -20.328 25.873 1.00 37.95 ? 37 ASP B CA 1 ATOM 2790 C C . ASP B 2 37 ? 2.076 -19.987 24.556 1.00 38.38 ? 37 ASP B C 1 ATOM 2791 O O . ASP B 2 37 ? 1.780 -20.576 23.511 1.00 37.78 ? 37 ASP B O 1 ATOM 2792 C CB . ASP B 2 37 ? 1.407 -21.834 26.137 1.00 37.74 ? 37 ASP B CB 1 ATOM 2793 C CG . ASP B 2 37 ? 2.807 -22.341 26.425 1.00 38.03 ? 37 ASP B CG 1 ATOM 2794 O OD1 . ASP B 2 37 ? 3.382 -21.976 27.480 1.00 36.86 ? 37 ASP B OD1 1 ATOM 2795 O OD2 . ASP B 2 37 ? 3.339 -23.097 25.593 1.00 37.92 ? 37 ASP B OD2 1 ATOM 2796 N N . LYS B 2 38 ? 3.003 -19.031 24.610 1.00 38.68 ? 38 LYS B N 1 ATOM 2797 C CA . LYS B 2 38 ? 3.648 -18.519 23.396 1.00 39.48 ? 38 LYS B CA 1 ATOM 2798 C C . LYS B 2 38 ? 4.603 -19.514 22.735 1.00 39.22 ? 38 LYS B C 1 ATOM 2799 O O . LYS B 2 38 ? 4.637 -19.615 21.513 1.00 39.69 ? 38 LYS B O 1 ATOM 2800 C CB . LYS B 2 38 ? 4.367 -17.192 23.674 1.00 39.79 ? 38 LYS B CB 1 ATOM 2801 C CG . LYS B 2 38 ? 3.448 -16.052 24.116 1.00 41.18 ? 38 LYS B CG 1 ATOM 2802 C CD . LYS B 2 38 ? 2.717 -15.416 22.935 1.00 43.23 ? 38 LYS B CD 1 ATOM 2803 C CE . LYS B 2 38 ? 1.723 -14.363 23.402 1.00 43.60 ? 38 LYS B CE 1 ATOM 2804 N NZ . LYS B 2 38 ? 2.407 -13.254 24.142 1.00 45.37 ? 38 LYS B NZ 1 ATOM 2805 N N . GLU B 2 39 ? 5.372 -20.239 23.542 1.00 39.18 ? 39 GLU B N 1 ATOM 2806 C CA . GLU B 2 39 ? 6.325 -21.224 23.019 1.00 39.24 ? 39 GLU B CA 1 ATOM 2807 C C . GLU B 2 39 ? 5.648 -22.327 22.196 1.00 38.29 ? 39 GLU B C 1 ATOM 2808 O O . GLU B 2 39 ? 6.050 -22.591 21.058 1.00 38.23 ? 39 GLU B O 1 ATOM 2809 C CB . GLU B 2 39 ? 7.159 -21.844 24.145 1.00 39.38 ? 39 GLU B CB 1 ATOM 2810 C CG . GLU B 2 39 ? 8.013 -20.847 24.940 1.00 42.17 ? 39 GLU B CG 1 ATOM 2811 C CD . GLU B 2 39 ? 7.291 -20.238 26.158 1.00 45.10 ? 39 GLU B CD 1 ATOM 2812 O OE1 . GLU B 2 39 ? 6.383 -20.890 26.741 1.00 46.90 ? 39 GLU B OE1 1 ATOM 2813 O OE2 . GLU B 2 39 ? 7.658 -19.106 26.552 1.00 46.34 ? 39 GLU B OE2 1 ATOM 2814 N N . SER B 2 40 ? 4.632 -22.967 22.774 1.00 37.34 ? 40 SER B N 1 ATOM 2815 C CA . SER B 2 40 ? 3.948 -24.087 22.122 1.00 36.48 ? 40 SER B CA 1 ATOM 2816 C C . SER B 2 40 ? 3.163 -23.618 20.902 1.00 36.13 ? 40 SER B C 1 ATOM 2817 O O . SER B 2 40 ? 3.166 -24.281 19.867 1.00 35.96 ? 40 SER B O 1 ATOM 2818 C CB . SER B 2 40 ? 3.012 -24.819 23.091 1.00 35.93 ? 40 SER B CB 1 ATOM 2819 O OG . SER B 2 40 ? 1.994 -23.951 23.578 1.00 36.25 ? 40 SER B OG 1 ATOM 2820 N N . THR B 2 41 ? 2.494 -22.472 21.028 1.00 35.90 ? 41 THR B N 1 ATOM 2821 C CA . THR B 2 41 ? 1.783 -21.878 19.889 1.00 35.68 ? 41 THR B CA 1 ATOM 2822 C C . THR B 2 41 ? 2.736 -21.631 18.715 1.00 35.99 ? 41 THR B C 1 ATOM 2823 O O . THR B 2 41 ? 2.443 -22.036 17.584 1.00 35.67 ? 41 THR B O 1 ATOM 2824 C CB . THR B 2 41 ? 1.029 -20.596 20.289 1.00 35.41 ? 41 THR B CB 1 ATOM 2825 O OG1 . THR B 2 41 ? 0.043 -20.924 21.273 1.00 34.74 ? 41 THR B OG1 1 ATOM 2826 C CG2 . THR B 2 41 ? 0.328 -19.974 19.089 1.00 35.39 ? 41 THR B CG2 1 ATOM 2827 N N . GLN B 2 42 ? 3.876 -20.995 18.998 1.00 36.33 ? 42 GLN B N 1 ATOM 2828 C CA . GLN B 2 42 ? 4.878 -20.678 17.974 1.00 36.67 ? 42 GLN B CA 1 ATOM 2829 C C . GLN B 2 42 ? 5.467 -21.913 17.287 1.00 36.72 ? 42 GLN B C 1 ATOM 2830 O O . GLN B 2 42 ? 5.626 -21.920 16.065 1.00 35.97 ? 42 GLN B O 1 ATOM 2831 C CB . GLN B 2 42 ? 6.003 -19.801 18.543 1.00 36.98 ? 42 GLN B CB 1 ATOM 2832 C CG . GLN B 2 42 ? 6.980 -19.291 17.475 1.00 38.77 ? 42 GLN B CG 1 ATOM 2833 C CD . GLN B 2 42 ? 6.325 -18.323 16.495 1.00 40.22 ? 42 GLN B CD 1 ATOM 2834 O OE1 . GLN B 2 42 ? 5.734 -17.318 16.905 1.00 41.52 ? 42 GLN B OE1 1 ATOM 2835 N NE2 . GLN B 2 42 ? 6.430 -18.618 15.195 1.00 39.99 ? 42 GLN B NE2 1 ATOM 2836 N N . LYS B 2 43 ? 5.784 -22.945 18.068 1.00 36.90 ? 43 LYS B N 1 ATOM 2837 C CA . LYS B 2 43 ? 6.267 -24.217 17.521 1.00 37.59 ? 43 LYS B CA 1 ATOM 2838 C C . LYS B 2 43 ? 5.252 -24.832 16.556 1.00 37.52 ? 43 LYS B C 1 ATOM 2839 O O . LYS B 2 43 ? 5.629 -25.329 15.489 1.00 37.69 ? 43 LYS B O 1 ATOM 2840 C CB . LYS B 2 43 ? 6.644 -25.197 18.653 1.00 38.45 ? 43 LYS B CB 1 ATOM 2841 C CG . LYS B 2 43 ? 6.857 -26.675 18.236 1.00 39.85 ? 43 LYS B CG 1 ATOM 2842 C CD . LYS B 2 43 ? 5.541 -27.507 18.348 1.00 43.12 ? 43 LYS B CD 1 ATOM 2843 C CE . LYS B 2 43 ? 5.614 -28.904 17.713 1.00 42.87 ? 43 LYS B CE 1 ATOM 2844 N NZ . LYS B 2 43 ? 6.691 -29.786 18.302 1.00 44.02 ? 43 LYS B NZ 1 ATOM 2845 N N . ALA B 2 44 ? 3.972 -24.771 16.920 1.00 36.94 ? 44 ALA B N 1 ATOM 2846 C CA . ALA B 2 44 ? 2.907 -25.320 16.090 1.00 36.51 ? 44 ALA B CA 1 ATOM 2847 C C . ALA B 2 44 ? 2.729 -24.475 14.832 1.00 36.42 ? 44 ALA B C 1 ATOM 2848 O O . ALA B 2 44 ? 2.588 -25.006 13.736 1.00 36.22 ? 44 ALA B O 1 ATOM 2849 C CB . ALA B 2 44 ? 1.601 -25.399 16.879 1.00 36.55 ? 44 ALA B CB 1 ATOM 2850 N N . PHE B 2 45 ? 2.754 -23.160 15.006 1.00 36.66 ? 45 PHE B N 1 ATOM 2851 C CA . PHE B 2 45 ? 2.631 -22.228 13.893 1.00 37.17 ? 45 PHE B CA 1 ATOM 2852 C C . PHE B 2 45 ? 3.688 -22.503 12.808 1.00 37.08 ? 45 PHE B C 1 ATOM 2853 O O . PHE B 2 45 ? 3.366 -22.571 11.605 1.00 36.95 ? 45 PHE B O 1 ATOM 2854 C CB . PHE B 2 45 ? 2.716 -20.785 14.402 1.00 37.34 ? 45 PHE B CB 1 ATOM 2855 C CG . PHE B 2 45 ? 2.429 -19.758 13.341 1.00 38.47 ? 45 PHE B CG 1 ATOM 2856 C CD1 . PHE B 2 45 ? 1.134 -19.580 12.857 1.00 38.45 ? 45 PHE B CD1 1 ATOM 2857 C CD2 . PHE B 2 45 ? 3.457 -18.987 12.811 1.00 40.50 ? 45 PHE B CD2 1 ATOM 2858 C CE1 . PHE B 2 45 ? 0.864 -18.634 11.857 1.00 39.79 ? 45 PHE B CE1 1 ATOM 2859 C CE2 . PHE B 2 45 ? 3.200 -18.034 11.816 1.00 39.60 ? 45 PHE B CE2 1 ATOM 2860 C CZ . PHE B 2 45 ? 1.900 -17.862 11.339 1.00 39.54 ? 45 PHE B CZ 1 ATOM 2861 N N . ASP B 2 46 ? 4.936 -22.684 13.245 1.00 36.89 ? 46 ASP B N 1 ATOM 2862 C CA . ASP B 2 46 ? 6.059 -22.960 12.339 1.00 36.96 ? 46 ASP B CA 1 ATOM 2863 C C . ASP B 2 46 ? 5.878 -24.263 11.569 1.00 36.46 ? 46 ASP B C 1 ATOM 2864 O O . ASP B 2 46 ? 6.127 -24.316 10.365 1.00 36.90 ? 46 ASP B O 1 ATOM 2865 C CB . ASP B 2 46 ? 7.381 -22.983 13.105 1.00 37.02 ? 46 ASP B CB 1 ATOM 2866 C CG . ASP B 2 46 ? 7.763 -21.620 13.659 1.00 38.32 ? 46 ASP B CG 1 ATOM 2867 O OD1 . ASP B 2 46 ? 7.211 -20.593 13.191 1.00 40.20 ? 46 ASP B OD1 1 ATOM 2868 O OD2 . ASP B 2 46 ? 8.629 -21.577 14.552 1.00 38.70 ? 46 ASP B OD2 1 ATOM 2869 N N . GLY B 2 47 ? 5.453 -25.306 12.283 1.00 35.82 ? 47 GLY B N 1 ATOM 2870 C CA . GLY B 2 47 ? 5.120 -26.602 11.696 1.00 34.87 ? 47 GLY B CA 1 ATOM 2871 C C . GLY B 2 47 ? 4.030 -26.503 10.645 1.00 34.65 ? 47 GLY B C 1 ATOM 2872 O O . GLY B 2 47 ? 4.191 -26.996 9.519 1.00 33.92 ? 47 GLY B O 1 ATOM 2873 N N . ILE B 2 48 ? 2.935 -25.837 11.000 1.00 34.31 ? 48 ILE B N 1 ATOM 2874 C CA . ILE B 2 48 ? 1.790 -25.704 10.095 1.00 34.60 ? 48 ILE B CA 1 ATOM 2875 C C . ILE B 2 48 ? 2.172 -24.893 8.844 1.00 34.96 ? 48 ILE B C 1 ATOM 2876 O O . ILE B 2 48 ? 1.777 -25.245 7.727 1.00 35.05 ? 48 ILE B O 1 ATOM 2877 C CB . ILE B 2 48 ? 0.557 -25.079 10.819 1.00 34.76 ? 48 ILE B CB 1 ATOM 2878 C CG1 . ILE B 2 48 ? 0.045 -26.018 11.928 1.00 33.76 ? 48 ILE B CG1 1 ATOM 2879 C CG2 . ILE B 2 48 ? -0.566 -24.736 9.826 1.00 34.49 ? 48 ILE B CG2 1 ATOM 2880 C CD1 . ILE B 2 48 ? -0.432 -27.390 11.432 1.00 34.75 ? 48 ILE B CD1 1 ATOM 2881 N N . THR B 2 49 ? 2.945 -23.825 9.043 1.00 35.31 ? 49 THR B N 1 ATOM 2882 C CA . THR B 2 49 ? 3.443 -23.007 7.923 1.00 35.91 ? 49 THR B CA 1 ATOM 2883 C C . THR B 2 49 ? 4.287 -23.873 6.984 1.00 36.31 ? 49 THR B C 1 ATOM 2884 O O . THR B 2 49 ? 4.109 -23.832 5.767 1.00 36.14 ? 49 THR B O 1 ATOM 2885 C CB . THR B 2 49 ? 4.232 -21.787 8.410 1.00 35.96 ? 49 THR B CB 1 ATOM 2886 O OG1 . THR B 2 49 ? 3.381 -20.961 9.212 1.00 36.41 ? 49 THR B OG1 1 ATOM 2887 C CG2 . THR B 2 49 ? 4.766 -20.957 7.219 1.00 35.92 ? 49 THR B CG2 1 ATOM 2888 N N . ASN B 2 50 ? 5.175 -24.683 7.556 1.00 36.90 ? 50 ASN B N 1 ATOM 2889 C CA . ASN B 2 50 ? 5.938 -25.651 6.774 1.00 37.56 ? 50 ASN B CA 1 ATOM 2890 C C . ASN B 2 50 ? 5.060 -26.677 6.055 1.00 37.30 ? 50 ASN B C 1 ATOM 2891 O O . ASN B 2 50 ? 5.345 -27.063 4.911 1.00 37.36 ? 50 ASN B O 1 ATOM 2892 C CB . ASN B 2 50 ? 6.983 -26.360 7.638 1.00 37.96 ? 50 ASN B CB 1 ATOM 2893 C CG . ASN B 2 50 ? 8.047 -27.052 6.803 1.00 40.81 ? 50 ASN B CG 1 ATOM 2894 O OD1 . ASN B 2 50 ? 8.068 -28.282 6.702 1.00 45.12 ? 50 ASN B OD1 1 ATOM 2895 N ND2 . ASN B 2 50 ? 8.917 -26.262 6.165 1.00 41.51 ? 50 ASN B ND2 1 ATOM 2896 N N . LYS B 2 51 ? 3.989 -27.117 6.712 1.00 36.99 ? 51 LYS B N 1 ATOM 2897 C CA . LYS B 2 51 ? 3.099 -28.119 6.121 1.00 37.22 ? 51 LYS B CA 1 ATOM 2898 C C . LYS B 2 51 ? 2.436 -27.613 4.832 1.00 37.69 ? 51 LYS B C 1 ATOM 2899 O O . LYS B 2 51 ? 2.466 -28.287 3.801 1.00 37.59 ? 51 LYS B O 1 ATOM 2900 C CB . LYS B 2 51 ? 2.014 -28.563 7.112 1.00 36.85 ? 51 LYS B CB 1 ATOM 2901 C CG . LYS B 2 51 ? 1.056 -29.574 6.503 1.00 37.09 ? 51 LYS B CG 1 ATOM 2902 C CD . LYS B 2 51 ? -0.011 -30.042 7.465 1.00 37.32 ? 51 LYS B CD 1 ATOM 2903 C CE . LYS B 2 51 ? 0.569 -30.914 8.562 1.00 34.15 ? 51 LYS B CE 1 ATOM 2904 N NZ . LYS B 2 51 ? -0.386 -31.982 8.890 1.00 31.32 ? 51 LYS B NZ 1 ATOM 2905 N N . VAL B 2 52 ? 1.825 -26.436 4.914 1.00 38.56 ? 52 VAL B N 1 ATOM 2906 C CA . VAL B 2 52 ? 1.106 -25.875 3.775 1.00 39.70 ? 52 VAL B CA 1 ATOM 2907 C C . VAL B 2 52 ? 2.060 -25.663 2.590 1.00 39.85 ? 52 VAL B C 1 ATOM 2908 O O . VAL B 2 52 ? 1.745 -26.063 1.463 1.00 40.48 ? 52 VAL B O 1 ATOM 2909 C CB . VAL B 2 52 ? 0.313 -24.589 4.131 1.00 39.81 ? 52 VAL B CB 1 ATOM 2910 C CG1 . VAL B 2 52 ? -0.855 -24.934 5.045 1.00 40.32 ? 52 VAL B CG1 1 ATOM 2911 C CG2 . VAL B 2 52 ? 1.199 -23.534 4.793 1.00 40.23 ? 52 VAL B CG2 1 ATOM 2912 N N . ASN B 2 53 ? 3.233 -25.090 2.862 1.00 40.32 ? 53 ASN B N 1 ATOM 2913 C CA . ASN B 2 53 ? 4.253 -24.884 1.830 1.00 40.89 ? 53 ASN B CA 1 ATOM 2914 C C . ASN B 2 53 ? 4.635 -26.191 1.153 1.00 41.70 ? 53 ASN B C 1 ATOM 2915 O O . ASN B 2 53 ? 4.766 -26.235 -0.072 1.00 41.24 ? 53 ASN B O 1 ATOM 2916 C CB . ASN B 2 53 ? 5.499 -24.201 2.395 1.00 41.04 ? 53 ASN B CB 1 ATOM 2917 C CG . ASN B 2 53 ? 5.240 -22.766 2.844 1.00 41.93 ? 53 ASN B CG 1 ATOM 2918 O OD1 . ASN B 2 53 ? 4.205 -22.180 2.533 1.00 44.33 ? 53 ASN B OD1 1 ATOM 2919 N ND2 . ASN B 2 53 ? 6.191 -22.193 3.572 1.00 41.66 ? 53 ASN B ND2 1 ATOM 2920 N N . SER B 2 54 ? 4.775 -27.261 1.939 1.00 41.97 ? 54 SER B N 1 ATOM 2921 C CA . SER B 2 54 ? 5.152 -28.570 1.396 1.00 42.89 ? 54 SER B CA 1 ATOM 2922 C C . SER B 2 54 ? 4.106 -29.183 0.466 1.00 43.88 ? 54 SER B C 1 ATOM 2923 O O . SER B 2 54 ? 4.451 -29.780 -0.562 1.00 43.72 ? 54 SER B O 1 ATOM 2924 C CB . SER B 2 54 ? 5.495 -29.553 2.525 1.00 42.58 ? 54 SER B CB 1 ATOM 2925 O OG . SER B 2 54 ? 6.668 -29.136 3.208 1.00 42.42 ? 54 SER B OG 1 ATOM 2926 N N . VAL B 2 55 ? 2.832 -29.050 0.830 1.00 45.02 ? 55 VAL B N 1 ATOM 2927 C CA . VAL B 2 55 ? 1.756 -29.665 0.060 1.00 46.51 ? 55 VAL B CA 1 ATOM 2928 C C . VAL B 2 55 ? 1.675 -28.953 -1.294 1.00 47.37 ? 55 VAL B C 1 ATOM 2929 O O . VAL B 2 55 ? 1.657 -29.602 -2.341 1.00 47.14 ? 55 VAL B O 1 ATOM 2930 C CB . VAL B 2 55 ? 0.373 -29.711 0.827 1.00 46.80 ? 55 VAL B CB 1 ATOM 2931 C CG1 . VAL B 2 55 ? 0.465 -30.591 2.085 1.00 46.74 ? 55 VAL B CG1 1 ATOM 2932 C CG2 . VAL B 2 55 ? -0.114 -28.322 1.191 1.00 47.32 ? 55 VAL B CG2 1 ATOM 2933 N N . ILE B 2 56 ? 1.700 -27.623 -1.253 1.00 48.14 ? 56 ILE B N 1 ATOM 2934 C CA . ILE B 2 56 ? 1.768 -26.796 -2.454 1.00 49.53 ? 56 ILE B CA 1 ATOM 2935 C C . ILE B 2 56 ? 2.985 -27.130 -3.334 1.00 50.54 ? 56 ILE B C 1 ATOM 2936 O O . ILE B 2 56 ? 2.824 -27.436 -4.525 1.00 50.77 ? 56 ILE B O 1 ATOM 2937 C CB . ILE B 2 56 ? 1.744 -25.289 -2.091 1.00 49.29 ? 56 ILE B CB 1 ATOM 2938 C CG1 . ILE B 2 56 ? 0.385 -24.918 -1.483 1.00 49.01 ? 56 ILE B CG1 1 ATOM 2939 C CG2 . ILE B 2 56 ? 2.091 -24.415 -3.305 1.00 48.84 ? 56 ILE B CG2 1 ATOM 2940 C CD1 . ILE B 2 56 ? 0.360 -23.574 -0.773 1.00 48.28 ? 56 ILE B CD1 1 ATOM 2941 N N . GLU B 2 57 ? 4.187 -27.083 -2.754 1.00 51.76 ? 57 GLU B N 1 ATOM 2942 C CA . GLU B 2 57 ? 5.435 -27.269 -3.518 1.00 53.21 ? 57 GLU B CA 1 ATOM 2943 C C . GLU B 2 57 ? 5.569 -28.629 -4.211 1.00 54.20 ? 57 GLU B C 1 ATOM 2944 O O . GLU B 2 57 ? 6.164 -28.716 -5.289 1.00 54.08 ? 57 GLU B O 1 ATOM 2945 C CB . GLU B 2 57 ? 6.662 -27.006 -2.643 1.00 53.21 ? 57 GLU B CB 1 ATOM 2946 C CG . GLU B 2 57 ? 6.913 -25.532 -2.355 1.00 53.95 ? 57 GLU B CG 1 ATOM 2947 C CD . GLU B 2 57 ? 7.740 -25.294 -1.091 1.00 55.00 ? 57 GLU B CD 1 ATOM 2948 O OE1 . GLU B 2 57 ? 8.090 -26.271 -0.384 1.00 54.88 ? 57 GLU B OE1 1 ATOM 2949 O OE2 . GLU B 2 57 ? 8.037 -24.117 -0.802 1.00 55.16 ? 57 GLU B OE2 1 ATOM 2950 N N . LYS B 2 58 ? 5.014 -29.677 -3.599 1.00 55.32 ? 58 LYS B N 1 ATOM 2951 C CA . LYS B 2 58 ? 5.076 -31.025 -4.175 1.00 56.61 ? 58 LYS B CA 1 ATOM 2952 C C . LYS B 2 58 ? 4.218 -31.173 -5.435 1.00 57.81 ? 58 LYS B C 1 ATOM 2953 O O . LYS B 2 58 ? 4.461 -32.068 -6.249 1.00 57.70 ? 58 LYS B O 1 ATOM 2954 C CB . LYS B 2 58 ? 4.720 -32.104 -3.134 1.00 56.50 ? 58 LYS B CB 1 ATOM 2955 C CG . LYS B 2 58 ? 5.787 -32.323 -2.054 1.00 55.83 ? 58 LYS B CG 1 ATOM 2956 C CD . LYS B 2 58 ? 7.076 -32.926 -2.612 1.00 54.49 ? 58 LYS B CD 1 ATOM 2957 C CE . LYS B 2 58 ? 8.270 -32.107 -2.171 1.00 53.23 ? 58 LYS B CE 1 ATOM 2958 N NZ . LYS B 2 58 ? 9.568 -32.716 -2.541 1.00 51.51 ? 58 LYS B NZ 1 ATOM 2959 N N . MET B 2 59 ? 3.233 -30.290 -5.596 1.00 59.30 ? 59 MET B N 1 ATOM 2960 C CA . MET B 2 59 ? 2.386 -30.275 -6.800 1.00 60.90 ? 59 MET B CA 1 ATOM 2961 C C . MET B 2 59 ? 2.618 -29.049 -7.684 1.00 61.21 ? 59 MET B C 1 ATOM 2962 O O . MET B 2 59 ? 1.671 -28.411 -8.153 1.00 61.55 ? 59 MET B O 1 ATOM 2963 C CB . MET B 2 59 ? 0.907 -30.447 -6.435 1.00 60.69 ? 59 MET B CB 1 ATOM 2964 C CG . MET B 2 59 ? 0.570 -31.886 -6.068 1.00 61.38 ? 59 MET B CG 1 ATOM 2965 S SD . MET B 2 59 ? -0.832 -32.123 -4.961 1.00 62.70 ? 59 MET B SD 1 ATOM 2966 C CE . MET B 2 59 ? -0.542 -30.857 -3.728 1.00 63.62 ? 59 MET B CE 1 ATOM 2967 N N . ASN B 2 60 ? 3.893 -28.732 -7.902 1.00 61.90 ? 60 ASN B N 1 ATOM 2968 C CA . ASN B 2 60 ? 4.297 -27.677 -8.836 1.00 62.41 ? 60 ASN B CA 1 ATOM 2969 C C . ASN B 2 60 ? 4.808 -28.273 -10.148 1.00 62.55 ? 60 ASN B C 1 ATOM 2970 O O . ASN B 2 60 ? 4.763 -27.622 -11.200 1.00 62.59 ? 60 ASN B O 1 ATOM 2971 C CB . ASN B 2 60 ? 5.351 -26.761 -8.207 1.00 62.48 ? 60 ASN B CB 1 ATOM 2972 C CG . ASN B 2 60 ? 4.783 -25.881 -7.093 1.00 63.17 ? 60 ASN B CG 1 ATOM 2973 O OD1 . ASN B 2 60 ? 3.563 -25.775 -6.916 1.00 63.29 ? 60 ASN B OD1 1 ATOM 2974 N ND2 . ASN B 2 60 ? 5.674 -25.237 -6.342 1.00 63.33 ? 60 ASN B ND2 1 ATOM 2975 N N . THR B 2 61 ? 5.304 -29.510 -10.063 1.00 62.66 ? 61 THR B N 1 ATOM 2976 C CA . THR B 2 61 ? 5.601 -30.336 -11.236 1.00 62.62 ? 61 THR B CA 1 ATOM 2977 C C . THR B 2 61 ? 4.352 -31.162 -11.565 1.00 62.11 ? 61 THR B C 1 ATOM 2978 O O . THR B 2 61 ? 4.315 -32.384 -11.361 1.00 62.10 ? 61 THR B O 1 ATOM 2979 C CB . THR B 2 61 ? 6.811 -31.281 -11.000 1.00 62.95 ? 61 THR B CB 1 ATOM 2980 O OG1 . THR B 2 61 ? 6.582 -32.085 -9.828 1.00 63.66 ? 61 THR B OG1 1 ATOM 2981 C CG2 . THR B 2 61 ? 8.112 -30.482 -10.848 1.00 62.92 ? 61 THR B CG2 1 ATOM 2982 N N . GLN B 2 62 ? 3.332 -30.464 -12.063 1.00 61.17 ? 62 GLN B N 1 ATOM 2983 C CA . GLN B 2 62 ? 2.026 -31.046 -12.347 1.00 60.29 ? 62 GLN B CA 1 ATOM 2984 C C . GLN B 2 62 ? 1.696 -30.876 -13.833 1.00 59.25 ? 62 GLN B C 1 ATOM 2985 O O . GLN B 2 62 ? 2.053 -29.867 -14.448 1.00 59.58 ? 62 GLN B O 1 ATOM 2986 C CB . GLN B 2 62 ? 0.959 -30.401 -11.442 1.00 60.21 ? 62 GLN B CB 1 ATOM 2987 C CG . GLN B 2 62 ? -0.495 -30.680 -11.835 1.00 60.81 ? 62 GLN B CG 1 ATOM 2988 C CD . GLN B 2 62 ? -1.490 -30.408 -10.720 1.00 60.72 ? 62 GLN B CD 1 ATOM 2989 O OE1 . GLN B 2 62 ? -1.140 -30.415 -9.537 1.00 62.64 ? 62 GLN B OE1 1 ATOM 2990 N NE2 . GLN B 2 62 ? -2.745 -30.178 -11.093 1.00 61.08 ? 62 GLN B NE2 1 ATOM 2991 N N . PHE B 2 63 ? 1.026 -31.876 -14.399 1.00 57.93 ? 63 PHE B N 1 ATOM 2992 C CA . PHE B 2 63 ? 0.690 -31.917 -15.823 1.00 56.25 ? 63 PHE B CA 1 ATOM 2993 C C . PHE B 2 63 ? -0.106 -30.695 -16.306 1.00 55.32 ? 63 PHE B C 1 ATOM 2994 O O . PHE B 2 63 ? -0.967 -30.173 -15.588 1.00 55.03 ? 63 PHE B O 1 ATOM 2995 C CB . PHE B 2 63 ? -0.073 -33.209 -16.124 1.00 56.39 ? 63 PHE B CB 1 ATOM 2996 C CG . PHE B 2 63 ? -0.490 -33.365 -17.565 1.00 56.66 ? 63 PHE B CG 1 ATOM 2997 C CD1 . PHE B 2 63 ? 0.403 -33.869 -18.517 1.00 57.35 ? 63 PHE B CD1 1 ATOM 2998 C CD2 . PHE B 2 63 ? -1.786 -33.021 -17.971 1.00 56.67 ? 63 PHE B CD2 1 ATOM 2999 C CE1 . PHE B 2 63 ? 0.012 -34.017 -19.850 1.00 55.75 ? 63 PHE B CE1 1 ATOM 3000 C CE2 . PHE B 2 63 ? -2.180 -33.169 -19.295 1.00 55.01 ? 63 PHE B CE2 1 ATOM 3001 C CZ . PHE B 2 63 ? -1.276 -33.669 -20.235 1.00 55.22 ? 63 PHE B CZ 1 ATOM 3002 N N . GLU B 2 64 ? 0.202 -30.240 -17.520 1.00 53.32 ? 64 GLU B N 1 ATOM 3003 C CA . GLU B 2 64 ? -0.575 -29.195 -18.180 1.00 52.18 ? 64 GLU B CA 1 ATOM 3004 C C . GLU B 2 64 ? -1.111 -29.719 -19.504 1.00 50.80 ? 64 GLU B C 1 ATOM 3005 O O . GLU B 2 64 ? -0.365 -30.322 -20.280 1.00 50.65 ? 64 GLU B O 1 ATOM 3006 C CB . GLU B 2 64 ? 0.292 -27.974 -18.487 1.00 52.45 ? 64 GLU B CB 1 ATOM 3007 C CG . GLU B 2 64 ? 0.980 -27.337 -17.298 1.00 53.23 ? 64 GLU B CG 1 ATOM 3008 C CD . GLU B 2 64 ? 2.154 -26.462 -17.721 1.00 54.78 ? 64 GLU B CD 1 ATOM 3009 O OE1 . GLU B 2 64 ? 2.137 -25.946 -18.860 1.00 54.19 ? 64 GLU B OE1 1 ATOM 3010 O OE2 . GLU B 2 64 ? 3.099 -26.294 -16.918 1.00 55.25 ? 64 GLU B OE2 1 ATOM 3011 N N . ALA B 2 65 ? -2.393 -29.477 -19.762 1.00 48.88 ? 65 ALA B N 1 ATOM 3012 C CA . ALA B 2 65 ? -2.984 -29.754 -21.066 1.00 47.23 ? 65 ALA B CA 1 ATOM 3013 C C . ALA B 2 65 ? -2.535 -28.686 -22.080 1.00 46.22 ? 65 ALA B C 1 ATOM 3014 O O . ALA B 2 65 ? -2.574 -27.483 -21.775 1.00 45.92 ? 65 ALA B O 1 ATOM 3015 C CB . ALA B 2 65 ? -4.502 -29.798 -20.959 1.00 47.27 ? 65 ALA B CB 1 ATOM 3016 N N . VAL B 2 66 ? -2.113 -29.140 -23.266 1.00 44.38 ? 66 VAL B N 1 ATOM 3017 C CA . VAL B 2 66 ? -1.586 -28.291 -24.364 1.00 42.61 ? 66 VAL B CA 1 ATOM 3018 C C . VAL B 2 66 ? -2.478 -28.484 -25.592 1.00 40.92 ? 66 VAL B C 1 ATOM 3019 O O . VAL B 2 66 ? -2.551 -29.599 -26.130 1.00 41.45 ? 66 VAL B O 1 ATOM 3020 C CB . VAL B 2 66 ? -0.111 -28.704 -24.759 1.00 42.71 ? 66 VAL B CB 1 ATOM 3021 C CG1 . VAL B 2 66 ? 0.273 -28.229 -26.186 1.00 43.42 ? 66 VAL B CG1 1 ATOM 3022 C CG2 . VAL B 2 66 ? 0.909 -28.238 -23.715 1.00 43.08 ? 66 VAL B CG2 1 ATOM 3023 N N . GLY B 2 67 ? -3.134 -27.414 -26.048 1.00 38.00 ? 67 GLY B N 1 ATOM 3024 C CA . GLY B 2 67 ? -4.127 -27.505 -27.125 1.00 34.91 ? 67 GLY B CA 1 ATOM 3025 C C . GLY B 2 67 ? -3.606 -27.976 -28.486 1.00 33.23 ? 67 GLY B C 1 ATOM 3026 O O . GLY B 2 67 ? -2.728 -27.351 -29.063 1.00 33.66 ? 67 GLY B O 1 ATOM 3027 N N . LYS B 2 68 ? -4.157 -29.079 -28.990 1.00 30.20 ? 68 LYS B N 1 ATOM 3028 C CA . LYS B 2 68 ? -3.782 -29.668 -30.287 1.00 28.34 ? 68 LYS B CA 1 ATOM 3029 C C . LYS B 2 68 ? -5.052 -30.052 -31.010 1.00 26.49 ? 68 LYS B C 1 ATOM 3030 O O . LYS B 2 68 ? -6.046 -30.342 -30.353 1.00 27.65 ? 68 LYS B O 1 ATOM 3031 C CB . LYS B 2 68 ? -3.008 -30.982 -30.076 1.00 28.77 ? 68 LYS B CB 1 ATOM 3032 C CG . LYS B 2 68 ? -1.595 -30.825 -29.642 1.00 31.52 ? 68 LYS B CG 1 ATOM 3033 C CD . LYS B 2 68 ? -0.957 -32.205 -29.610 1.00 35.03 ? 68 LYS B CD 1 ATOM 3034 C CE . LYS B 2 68 ? 0.358 -32.131 -28.933 1.00 36.22 ? 68 LYS B CE 1 ATOM 3035 N NZ . LYS B 2 68 ? 0.225 -31.605 -27.532 1.00 36.15 ? 68 LYS B NZ 1 ATOM 3036 N N . GLU B 2 69 ? -5.013 -30.083 -32.336 1.00 23.50 ? 69 GLU B N 1 ATOM 3037 C CA . GLU B 2 69 ? -6.164 -30.462 -33.178 1.00 22.54 ? 69 GLU B CA 1 ATOM 3038 C C . GLU B 2 69 ? -5.855 -31.668 -34.043 1.00 23.05 ? 69 GLU B C 1 ATOM 3039 O O . GLU B 2 69 ? -4.692 -31.941 -34.334 1.00 21.41 ? 69 GLU B O 1 ATOM 3040 C CB . GLU B 2 69 ? -6.639 -29.270 -34.014 1.00 24.50 ? 69 GLU B CB 1 ATOM 3041 C CG . GLU B 2 69 ? -7.136 -28.171 -33.065 1.00 26.27 ? 69 GLU B CG 1 ATOM 3042 C CD . GLU B 2 69 ? -7.634 -26.952 -33.780 1.00 29.74 ? 69 GLU B CD 1 ATOM 3043 O OE1 . GLU B 2 69 ? -8.391 -27.105 -34.745 1.00 34.91 ? 69 GLU B OE1 1 ATOM 3044 O OE2 . GLU B 2 69 ? -7.241 -25.849 -33.353 1.00 36.10 ? 69 GLU B OE2 1 ATOM 3045 N N . PHE B 2 70 ? -6.904 -32.394 -34.442 1.00 21.90 ? 70 PHE B N 1 ATOM 3046 C CA . PHE B 2 70 ? -6.787 -33.635 -35.193 1.00 23.05 ? 70 PHE B CA 1 ATOM 3047 C C . PHE B 2 70 ? -7.805 -33.736 -36.319 1.00 23.77 ? 70 PHE B C 1 ATOM 3048 O O . PHE B 2 70 ? -8.944 -33.241 -36.159 1.00 25.96 ? 70 PHE B O 1 ATOM 3049 C CB . PHE B 2 70 ? -7.012 -34.796 -34.205 1.00 23.31 ? 70 PHE B CB 1 ATOM 3050 C CG . PHE B 2 70 ? -6.028 -34.785 -33.053 1.00 22.75 ? 70 PHE B CG 1 ATOM 3051 C CD1 . PHE B 2 70 ? -4.758 -35.336 -33.231 1.00 24.50 ? 70 PHE B CD1 1 ATOM 3052 C CD2 . PHE B 2 70 ? -6.308 -34.123 -31.850 1.00 20.90 ? 70 PHE B CD2 1 ATOM 3053 C CE1 . PHE B 2 70 ? -3.820 -35.289 -32.201 1.00 22.35 ? 70 PHE B CE1 1 ATOM 3054 C CE2 . PHE B 2 70 ? -5.382 -34.089 -30.829 1.00 23.73 ? 70 PHE B CE2 1 ATOM 3055 C CZ . PHE B 2 70 ? -4.124 -34.672 -31.006 1.00 24.58 ? 70 PHE B CZ 1 ATOM 3056 N N . SER B 2 71 ? -7.425 -34.380 -37.422 1.00 23.32 ? 71 SER B N 1 ATOM 3057 C CA . SER B 2 71 ? -8.338 -34.549 -38.577 1.00 24.54 ? 71 SER B CA 1 ATOM 3058 C C . SER B 2 71 ? -9.416 -35.590 -38.295 1.00 25.07 ? 71 SER B C 1 ATOM 3059 O O . SER B 2 71 ? -9.385 -36.310 -37.277 1.00 24.19 ? 71 SER B O 1 ATOM 3060 C CB . SER B 2 71 ? -7.598 -34.919 -39.862 1.00 24.69 ? 71 SER B CB 1 ATOM 3061 O OG . SER B 2 71 ? -7.363 -36.319 -39.916 1.00 26.50 ? 71 SER B OG 1 ATOM 3062 N N . ASN B 2 72 ? -10.394 -35.655 -39.199 1.00 26.63 ? 72 ASN B N 1 ATOM 3063 C CA . ASN B 2 72 ? -11.425 -36.674 -39.053 1.00 27.64 ? 72 ASN B CA 1 ATOM 3064 C C . ASN B 2 72 ? -10.895 -38.065 -39.349 1.00 27.68 ? 72 ASN B C 1 ATOM 3065 O O . ASN B 2 72 ? -11.628 -39.049 -39.140 1.00 27.45 ? 72 ASN B O 1 ATOM 3066 C CB . ASN B 2 72 ? -12.678 -36.335 -39.901 1.00 29.57 ? 72 ASN B CB 1 ATOM 3067 C CG . ASN B 2 72 ? -12.429 -36.415 -41.382 1.00 34.57 ? 72 ASN B CG 1 ATOM 3068 O OD1 . ASN B 2 72 ? -11.285 -36.524 -41.847 1.00 39.51 ? 72 ASN B OD1 1 ATOM 3069 N ND2 . ASN B 2 72 ? -13.512 -36.324 -42.159 1.00 39.29 ? 72 ASN B ND2 1 ATOM 3070 N N . LEU B 2 73 ? -9.648 -38.155 -39.858 1.00 26.33 ? 73 LEU B N 1 ATOM 3071 C CA . LEU B 2 73 ? -8.987 -39.464 -40.068 1.00 26.88 ? 73 LEU B CA 1 ATOM 3072 C C . LEU B 2 73 ? -7.881 -39.716 -39.043 1.00 24.61 ? 73 LEU B C 1 ATOM 3073 O O . LEU B 2 73 ? -7.035 -40.596 -39.238 1.00 25.38 ? 73 LEU B O 1 ATOM 3074 C CB . LEU B 2 73 ? -8.418 -39.591 -41.489 1.00 27.47 ? 73 LEU B CB 1 ATOM 3075 C CG . LEU B 2 73 ? -9.376 -39.901 -42.670 1.00 31.47 ? 73 LEU B CG 1 ATOM 3076 C CD1 . LEU B 2 73 ? -10.147 -38.650 -43.134 1.00 35.62 ? 73 LEU B CD1 1 ATOM 3077 C CD2 . LEU B 2 73 ? -8.589 -40.415 -43.833 1.00 29.25 ? 73 LEU B CD2 1 ATOM 3078 N N . GLU B 2 74 ? -7.911 -38.946 -37.956 1.00 21.52 ? 74 GLU B N 1 ATOM 3079 C CA . GLU B 2 74 ? -6.995 -39.138 -36.828 1.00 21.21 ? 74 GLU B CA 1 ATOM 3080 C C . GLU B 2 74 ? -7.747 -39.296 -35.519 1.00 20.90 ? 74 GLU B C 1 ATOM 3081 O O . GLU B 2 74 ? -7.341 -38.794 -34.464 1.00 20.33 ? 74 GLU B O 1 ATOM 3082 C CB . GLU B 2 74 ? -6.052 -37.954 -36.757 1.00 19.93 ? 74 GLU B CB 1 ATOM 3083 C CG . GLU B 2 74 ? -5.224 -37.766 -37.998 1.00 20.65 ? 74 GLU B CG 1 ATOM 3084 C CD . GLU B 2 74 ? -4.321 -36.531 -37.845 1.00 25.80 ? 74 GLU B CD 1 ATOM 3085 O OE1 . GLU B 2 74 ? -4.824 -35.452 -37.414 1.00 24.80 ? 74 GLU B OE1 1 ATOM 3086 O OE2 . GLU B 2 74 ? -3.120 -36.643 -38.132 1.00 25.84 ? 74 GLU B OE2 1 ATOM 3087 N N . ARG B 2 75 ? -8.862 -40.035 -35.556 1.00 19.07 ? 75 ARG B N 1 ATOM 3088 C CA . ARG B 2 75 ? -9.662 -40.191 -34.369 1.00 19.98 ? 75 ARG B CA 1 ATOM 3089 C C . ARG B 2 75 ? -8.978 -41.020 -33.267 1.00 18.19 ? 75 ARG B C 1 ATOM 3090 O O . ARG B 2 75 ? -9.178 -40.771 -32.092 1.00 19.71 ? 75 ARG B O 1 ATOM 3091 C CB . ARG B 2 75 ? -11.015 -40.848 -34.742 1.00 20.64 ? 75 ARG B CB 1 ATOM 3092 C CG . ARG B 2 75 ? -11.789 -40.025 -35.748 1.00 26.62 ? 75 ARG B CG 1 ATOM 3093 C CD . ARG B 2 75 ? -12.047 -38.663 -35.191 1.00 35.03 ? 75 ARG B CD 1 ATOM 3094 N NE . ARG B 2 75 ? -12.908 -37.875 -36.060 1.00 41.56 ? 75 ARG B NE 1 ATOM 3095 C CZ . ARG B 2 75 ? -13.566 -36.792 -35.659 1.00 44.53 ? 75 ARG B CZ 1 ATOM 3096 N NH1 . ARG B 2 75 ? -13.455 -36.384 -34.394 1.00 46.84 ? 75 ARG B NH1 1 ATOM 3097 N NH2 . ARG B 2 75 ? -14.329 -36.119 -36.522 1.00 44.14 ? 75 ARG B NH2 1 ATOM 3098 N N . ARG B 2 76 ? -8.178 -42.018 -33.655 1.00 18.15 ? 76 ARG B N 1 ATOM 3099 C CA . ARG B 2 76 ? -7.499 -42.807 -32.624 1.00 17.61 ? 76 ARG B CA 1 ATOM 3100 C C . ARG B 2 76 ? -6.501 -41.877 -31.911 1.00 17.98 ? 76 ARG B C 1 ATOM 3101 O O . ARG B 2 76 ? -6.386 -41.885 -30.682 1.00 18.99 ? 76 ARG B O 1 ATOM 3102 C CB . ARG B 2 76 ? -6.716 -43.979 -33.244 1.00 16.43 ? 76 ARG B CB 1 ATOM 3103 C CG . ARG B 2 76 ? -7.629 -45.099 -33.838 1.00 16.94 ? 76 ARG B CG 1 ATOM 3104 C CD . ARG B 2 76 ? -6.835 -46.097 -34.673 1.00 15.66 ? 76 ARG B CD 1 ATOM 3105 N NE . ARG B 2 76 ? -6.247 -45.418 -35.801 1.00 14.63 ? 76 ARG B NE 1 ATOM 3106 C CZ . ARG B 2 76 ? -5.103 -45.737 -36.385 1.00 16.29 ? 76 ARG B CZ 1 ATOM 3107 N NH1 . ARG B 2 76 ? -4.394 -46.782 -35.944 1.00 18.34 ? 76 ARG B NH1 1 ATOM 3108 N NH2 . ARG B 2 76 ? -4.683 -45.008 -37.380 1.00 15.97 ? 76 ARG B NH2 1 ATOM 3109 N N . LEU B 2 77 ? -5.763 -41.131 -32.719 1.00 19.56 ? 77 LEU B N 1 ATOM 3110 C CA . LEU B 2 77 ? -4.738 -40.217 -32.164 1.00 19.65 ? 77 LEU B CA 1 ATOM 3111 C C . LEU B 2 77 ? -5.404 -39.183 -31.250 1.00 19.41 ? 77 LEU B C 1 ATOM 3112 O O . LEU B 2 77 ? -4.917 -38.901 -30.159 1.00 19.70 ? 77 LEU B O 1 ATOM 3113 C CB . LEU B 2 77 ? -3.895 -39.592 -33.302 1.00 19.45 ? 77 LEU B CB 1 ATOM 3114 C CG . LEU B 2 77 ? -2.763 -38.619 -32.875 1.00 20.82 ? 77 LEU B CG 1 ATOM 3115 C CD1 . LEU B 2 77 ? -1.696 -39.313 -32.013 1.00 22.18 ? 77 LEU B CD1 1 ATOM 3116 C CD2 . LEU B 2 77 ? -2.129 -37.982 -34.075 1.00 21.71 ? 77 LEU B CD2 1 ATOM 3117 N N . GLU B 2 78 ? -6.514 -38.614 -31.716 1.00 19.79 ? 78 GLU B N 1 ATOM 3118 C CA . GLU B 2 78 ? -7.271 -37.661 -30.908 1.00 21.18 ? 78 GLU B CA 1 ATOM 3119 C C . GLU B 2 78 ? -7.706 -38.290 -29.583 1.00 20.96 ? 78 GLU B C 1 ATOM 3120 O O . GLU B 2 78 ? -7.587 -37.679 -28.500 1.00 20.87 ? 78 GLU B O 1 ATOM 3121 C CB . GLU B 2 78 ? -8.488 -37.193 -31.671 1.00 21.40 ? 78 GLU B CB 1 ATOM 3122 C CG . GLU B 2 78 ? -9.232 -36.061 -30.970 1.00 27.11 ? 78 GLU B CG 1 ATOM 3123 C CD . GLU B 2 78 ? -10.565 -35.770 -31.618 1.00 35.28 ? 78 GLU B CD 1 ATOM 3124 O OE1 . GLU B 2 78 ? -11.076 -36.619 -32.395 1.00 37.98 ? 78 GLU B OE1 1 ATOM 3125 O OE2 . GLU B 2 78 ? -11.138 -34.701 -31.313 1.00 40.97 ? 78 GLU B OE2 1 ATOM 3126 N N . ASN B 2 79 ? -8.195 -39.532 -29.651 1.00 21.32 ? 79 ASN B N 1 ATOM 3127 C CA . ASN B 2 79 ? -8.638 -40.242 -28.450 1.00 21.80 ? 79 ASN B CA 1 ATOM 3128 C C . ASN B 2 79 ? -7.483 -40.524 -27.482 1.00 22.13 ? 79 ASN B C 1 ATOM 3129 O O . ASN B 2 79 ? -7.608 -40.355 -26.263 1.00 21.65 ? 79 ASN B O 1 ATOM 3130 C CB . ASN B 2 79 ? -9.422 -41.506 -28.832 1.00 21.72 ? 79 ASN B CB 1 ATOM 3131 C CG . ASN B 2 79 ? -10.096 -42.152 -27.625 1.00 26.41 ? 79 ASN B CG 1 ATOM 3132 O OD1 . ASN B 2 79 ? -9.623 -43.155 -27.084 1.00 28.78 ? 79 ASN B OD1 1 ATOM 3133 N ND2 . ASN B 2 79 ? -11.167 -41.524 -27.158 1.00 31.31 ? 79 ASN B ND2 1 ATOM 3134 N N . LEU B 2 80 ? -6.327 -40.858 -28.043 1.00 22.52 ? 80 LEU B N 1 ATOM 3135 C CA . LEU B 2 80 ? -5.140 -41.097 -27.255 1.00 23.10 ? 80 LEU B CA 1 ATOM 3136 C C . LEU B 2 80 ? -4.760 -39.808 -26.512 1.00 23.36 ? 80 LEU B C 1 ATOM 3137 O O . LEU B 2 80 ? -4.474 -39.818 -25.305 1.00 22.74 ? 80 LEU B O 1 ATOM 3138 C CB . LEU B 2 80 ? -4.003 -41.529 -28.178 1.00 22.53 ? 80 LEU B CB 1 ATOM 3139 C CG . LEU B 2 80 ? -2.782 -42.075 -27.463 1.00 28.16 ? 80 LEU B CG 1 ATOM 3140 C CD1 . LEU B 2 80 ? -2.016 -42.895 -28.491 1.00 30.00 ? 80 LEU B CD1 1 ATOM 3141 C CD2 . LEU B 2 80 ? -1.991 -40.937 -26.919 1.00 32.28 ? 80 LEU B CD2 1 ATOM 3142 N N . ASN B 2 81 ? -4.795 -38.708 -27.241 1.00 23.86 ? 81 ASN B N 1 ATOM 3143 C CA . ASN B 2 81 ? -4.436 -37.425 -26.671 1.00 26.56 ? 81 ASN B CA 1 ATOM 3144 C C . ASN B 2 81 ? -5.385 -37.061 -25.553 1.00 26.65 ? 81 ASN B C 1 ATOM 3145 O O . ASN B 2 81 ? -4.920 -36.625 -24.480 1.00 27.39 ? 81 ASN B O 1 ATOM 3146 C CB . ASN B 2 81 ? -4.439 -36.347 -27.736 1.00 26.03 ? 81 ASN B CB 1 ATOM 3147 C CG . ASN B 2 81 ? -3.820 -35.048 -27.236 1.00 28.30 ? 81 ASN B CG 1 ATOM 3148 O OD1 . ASN B 2 81 ? -4.500 -34.026 -27.149 1.00 31.77 ? 81 ASN B OD1 1 ATOM 3149 N ND2 . ASN B 2 81 ? -2.533 -35.089 -26.928 1.00 28.74 ? 81 ASN B ND2 1 ATOM 3150 N N . LYS B 2 82 ? -6.685 -37.250 -25.798 1.00 27.28 ? 82 LYS B N 1 ATOM 3151 C CA . LYS B 2 82 ? -7.735 -36.987 -24.797 1.00 29.58 ? 82 LYS B CA 1 ATOM 3152 C C . LYS B 2 82 ? -7.597 -37.879 -23.565 1.00 29.27 ? 82 LYS B C 1 ATOM 3153 O O . LYS B 2 82 ? -7.640 -37.396 -22.412 1.00 29.23 ? 82 LYS B O 1 ATOM 3154 C CB . LYS B 2 82 ? -9.130 -37.176 -25.417 1.00 29.45 ? 82 LYS B CB 1 ATOM 3155 C CG . LYS B 2 82 ? -10.316 -37.022 -24.402 1.00 30.48 ? 82 LYS B CG 1 ATOM 3156 C CD . LYS B 2 82 ? -11.591 -37.667 -24.990 1.00 32.17 ? 82 LYS B CD 1 ATOM 3157 C CE . LYS B 2 82 ? -12.887 -37.194 -24.329 1.00 35.72 ? 82 LYS B CE 1 ATOM 3158 N NZ . LYS B 2 82 ? -13.183 -37.839 -23.017 1.00 39.71 ? 82 LYS B NZ 1 ATOM 3159 N N . LYS B 2 83 ? -7.439 -39.178 -23.790 1.00 28.60 ? 83 LYS B N 1 ATOM 3160 C CA . LYS B 2 83 ? -7.237 -40.127 -22.674 1.00 29.08 ? 83 LYS B CA 1 ATOM 3161 C C . LYS B 2 83 ? -6.011 -39.763 -21.827 1.00 28.79 ? 83 LYS B C 1 ATOM 3162 O O . LYS B 2 83 ? -6.005 -39.890 -20.585 1.00 28.73 ? 83 LYS B O 1 ATOM 3163 C CB . LYS B 2 83 ? -7.081 -41.523 -23.244 1.00 29.11 ? 83 LYS B CB 1 ATOM 3164 C CG . LYS B 2 83 ? -8.409 -42.194 -23.623 1.00 33.06 ? 83 LYS B CG 1 ATOM 3165 C CD . LYS B 2 83 ? -8.649 -43.441 -22.794 1.00 39.41 ? 83 LYS B CD 1 ATOM 3166 C CE . LYS B 2 83 ? -7.476 -44.409 -22.949 1.00 40.27 ? 83 LYS B CE 1 ATOM 3167 N NZ . LYS B 2 83 ? -7.846 -45.786 -22.639 1.00 43.90 ? 83 LYS B NZ 1 ATOM 3168 N N . MET B 2 84 ? -4.968 -39.288 -22.488 1.00 28.72 ? 84 MET B N 1 ATOM 3169 C CA . MET B 2 84 ? -3.759 -38.919 -21.782 1.00 31.68 ? 84 MET B CA 1 ATOM 3170 C C . MET B 2 84 ? -3.943 -37.677 -20.925 1.00 31.78 ? 84 MET B C 1 ATOM 3171 O O . MET B 2 84 ? -3.576 -37.646 -19.735 1.00 31.53 ? 84 MET B O 1 ATOM 3172 C CB . MET B 2 84 ? -2.622 -38.666 -22.765 1.00 30.30 ? 84 MET B CB 1 ATOM 3173 C CG . MET B 2 84 ? -1.366 -38.466 -22.017 1.00 33.19 ? 84 MET B CG 1 ATOM 3174 S SD . MET B 2 84 ? -0.062 -37.907 -23.051 1.00 37.67 ? 84 MET B SD 1 ATOM 3175 C CE . MET B 2 84 ? -0.632 -36.345 -23.687 1.00 34.22 ? 84 MET B CE 1 ATOM 3176 N N . GLU B 2 85 ? -4.457 -36.626 -21.547 1.00 32.73 ? 85 GLU B N 1 ATOM 3177 C CA . GLU B 2 85 ? -4.630 -35.372 -20.832 1.00 34.48 ? 85 GLU B CA 1 ATOM 3178 C C . GLU B 2 85 ? -5.641 -35.519 -19.694 1.00 35.45 ? 85 GLU B C 1 ATOM 3179 O O . GLU B 2 85 ? -5.343 -35.062 -18.560 1.00 36.39 ? 85 GLU B O 1 ATOM 3180 C CB . GLU B 2 85 ? -4.940 -34.217 -21.809 1.00 34.53 ? 85 GLU B CB 1 ATOM 3181 C CG . GLU B 2 85 ? -3.758 -33.904 -22.697 1.00 34.72 ? 85 GLU B CG 1 ATOM 3182 C CD . GLU B 2 85 ? -3.880 -32.557 -23.384 1.00 39.07 ? 85 GLU B CD 1 ATOM 3183 O OE1 . GLU B 2 85 ? -5.037 -32.108 -23.611 1.00 40.89 ? 85 GLU B OE1 1 ATOM 3184 O OE2 . GLU B 2 85 ? -2.817 -31.972 -23.717 1.00 38.23 ? 85 GLU B OE2 1 ATOM 3185 N N . ASP B 2 86 ? -6.763 -36.205 -19.949 1.00 36.11 ? 86 ASP B N 1 ATOM 3186 C CA . ASP B 2 86 ? -7.746 -36.573 -18.899 1.00 37.53 ? 86 ASP B CA 1 ATOM 3187 C C . ASP B 2 86 ? -7.107 -37.451 -17.811 1.00 37.07 ? 86 ASP B C 1 ATOM 3188 O O . ASP B 2 86 ? -7.456 -37.347 -16.612 1.00 36.54 ? 86 ASP B O 1 ATOM 3189 C CB . ASP B 2 86 ? -8.912 -37.425 -19.442 1.00 38.80 ? 86 ASP B CB 1 ATOM 3190 C CG . ASP B 2 86 ? -9.908 -36.655 -20.312 1.00 41.42 ? 86 ASP B CG 1 ATOM 3191 O OD1 . ASP B 2 86 ? -9.776 -35.427 -20.497 1.00 45.67 ? 86 ASP B OD1 1 ATOM 3192 O OD2 . ASP B 2 86 ? -10.832 -37.331 -20.835 1.00 43.38 ? 86 ASP B OD2 1 ATOM 3193 N N . GLY B 2 87 ? -6.237 -38.365 -18.237 1.00 35.56 ? 87 GLY B N 1 ATOM 3194 C CA . GLY B 2 87 ? -5.610 -39.329 -17.321 1.00 35.26 ? 87 GLY B CA 1 ATOM 3195 C C . GLY B 2 87 ? -4.702 -38.667 -16.316 1.00 34.59 ? 87 GLY B C 1 ATOM 3196 O O . GLY B 2 87 ? -4.724 -39.006 -15.115 1.00 34.63 ? 87 GLY B O 1 ATOM 3197 N N . PHE B 2 88 ? -3.905 -37.714 -16.786 1.00 34.16 ? 88 PHE B N 1 ATOM 3198 C CA . PHE B 2 88 ? -3.040 -36.969 -15.888 1.00 34.23 ? 88 PHE B CA 1 ATOM 3199 C C . PHE B 2 88 ? -3.844 -36.030 -14.994 1.00 35.01 ? 88 PHE B C 1 ATOM 3200 O O . PHE B 2 88 ? -3.546 -35.893 -13.791 1.00 34.13 ? 88 PHE B O 1 ATOM 3201 C CB . PHE B 2 88 ? -1.917 -36.239 -16.636 1.00 34.13 ? 88 PHE B CB 1 ATOM 3202 C CG . PHE B 2 88 ? -0.805 -37.147 -17.091 1.00 33.51 ? 88 PHE B CG 1 ATOM 3203 C CD1 . PHE B 2 88 ? -0.033 -37.844 -16.169 1.00 32.31 ? 88 PHE B CD1 1 ATOM 3204 C CD2 . PHE B 2 88 ? -0.539 -37.330 -18.451 1.00 33.57 ? 88 PHE B CD2 1 ATOM 3205 C CE1 . PHE B 2 88 ? 0.990 -38.693 -16.584 1.00 32.56 ? 88 PHE B CE1 1 ATOM 3206 C CE2 . PHE B 2 88 ? 0.488 -38.189 -18.865 1.00 32.81 ? 88 PHE B CE2 1 ATOM 3207 C CZ . PHE B 2 88 ? 1.238 -38.863 -17.950 1.00 32.23 ? 88 PHE B CZ 1 ATOM 3208 N N . LEU B 2 89 ? -4.875 -35.411 -15.573 1.00 35.36 ? 89 LEU B N 1 ATOM 3209 C CA . LEU B 2 89 ? -5.823 -34.596 -14.814 1.00 37.21 ? 89 LEU B CA 1 ATOM 3210 C C . LEU B 2 89 ? -6.378 -35.369 -13.628 1.00 37.35 ? 89 LEU B C 1 ATOM 3211 O O . LEU B 2 89 ? -6.382 -34.858 -12.494 1.00 38.04 ? 89 LEU B O 1 ATOM 3212 C CB . LEU B 2 89 ? -6.989 -34.195 -15.697 1.00 37.40 ? 89 LEU B CB 1 ATOM 3213 C CG . LEU B 2 89 ? -7.594 -32.851 -15.362 1.00 40.29 ? 89 LEU B CG 1 ATOM 3214 C CD1 . LEU B 2 89 ? -6.904 -31.879 -16.296 1.00 41.56 ? 89 LEU B CD1 1 ATOM 3215 C CD2 . LEU B 2 89 ? -9.061 -32.867 -15.669 1.00 40.80 ? 89 LEU B CD2 1 ATOM 3216 N N . ASP B 2 90 ? -6.839 -36.592 -13.885 1.00 37.21 ? 90 ASP B N 1 ATOM 3217 C CA . ASP B 2 90 ? -7.410 -37.425 -12.825 1.00 37.26 ? 90 ASP B CA 1 ATOM 3218 C C . ASP B 2 90 ? -6.369 -37.827 -11.785 1.00 36.80 ? 90 ASP B C 1 ATOM 3219 O O . ASP B 2 90 ? -6.672 -37.866 -10.575 1.00 36.47 ? 90 ASP B O 1 ATOM 3220 C CB . ASP B 2 90 ? -8.072 -38.669 -13.404 1.00 37.63 ? 90 ASP B CB 1 ATOM 3221 C CG . ASP B 2 90 ? -9.322 -38.346 -14.181 1.00 40.43 ? 90 ASP B CG 1 ATOM 3222 O OD1 . ASP B 2 90 ? -9.924 -37.267 -13.944 1.00 43.20 ? 90 ASP B OD1 1 ATOM 3223 O OD2 . ASP B 2 90 ? -9.704 -39.172 -15.032 1.00 44.29 ? 90 ASP B OD2 1 ATOM 3224 N N . VAL B 2 91 ? -5.148 -38.115 -12.241 1.00 35.46 ? 91 VAL B N 1 ATOM 3225 C CA . VAL B 2 91 ? -4.054 -38.433 -11.310 1.00 35.55 ? 91 VAL B CA 1 ATOM 3226 C C . VAL B 2 91 ? -3.776 -37.245 -10.380 1.00 35.62 ? 91 VAL B C 1 ATOM 3227 O O . VAL B 2 91 ? -3.669 -37.404 -9.164 1.00 34.97 ? 91 VAL B O 1 ATOM 3228 C CB . VAL B 2 91 ? -2.757 -38.869 -12.052 1.00 35.58 ? 91 VAL B CB 1 ATOM 3229 C CG1 . VAL B 2 91 ? -1.546 -38.844 -11.110 1.00 34.12 ? 91 VAL B CG1 1 ATOM 3230 C CG2 . VAL B 2 91 ? -2.927 -40.266 -12.656 1.00 33.35 ? 91 VAL B CG2 1 ATOM 3231 N N . TRP B 2 92 ? -3.651 -36.053 -10.951 1.00 35.93 ? 92 TRP B N 1 ATOM 3232 C CA . TRP B 2 92 ? -3.295 -34.894 -10.144 1.00 36.84 ? 92 TRP B CA 1 ATOM 3233 C C . TRP B 2 92 ? -4.433 -34.412 -9.249 1.00 36.51 ? 92 TRP B C 1 ATOM 3234 O O . TRP B 2 92 ? -4.171 -33.926 -8.149 1.00 36.46 ? 92 TRP B O 1 ATOM 3235 C CB . TRP B 2 92 ? -2.691 -33.773 -10.993 1.00 37.55 ? 92 TRP B CB 1 ATOM 3236 C CG . TRP B 2 92 ? -1.330 -34.140 -11.492 1.00 37.75 ? 92 TRP B CG 1 ATOM 3237 C CD1 . TRP B 2 92 ? -0.988 -34.462 -12.781 1.00 39.21 ? 92 TRP B CD1 1 ATOM 3238 C CD2 . TRP B 2 92 ? -0.130 -34.261 -10.717 1.00 38.62 ? 92 TRP B CD2 1 ATOM 3239 N NE1 . TRP B 2 92 ? 0.344 -34.768 -12.853 1.00 38.75 ? 92 TRP B NE1 1 ATOM 3240 C CE2 . TRP B 2 92 ? 0.901 -34.650 -11.606 1.00 38.72 ? 92 TRP B CE2 1 ATOM 3241 C CE3 . TRP B 2 92 ? 0.176 -34.082 -9.359 1.00 39.08 ? 92 TRP B CE3 1 ATOM 3242 C CZ2 . TRP B 2 92 ? 2.222 -34.866 -11.183 1.00 39.47 ? 92 TRP B CZ2 1 ATOM 3243 C CZ3 . TRP B 2 92 ? 1.503 -34.283 -8.937 1.00 39.14 ? 92 TRP B CZ3 1 ATOM 3244 C CH2 . TRP B 2 92 ? 2.505 -34.664 -9.849 1.00 39.19 ? 92 TRP B CH2 1 ATOM 3245 N N . THR B 2 93 ? -5.678 -34.583 -9.698 1.00 36.29 ? 93 THR B N 1 ATOM 3246 C CA . THR B 2 93 ? -6.850 -34.270 -8.867 1.00 36.29 ? 93 THR B CA 1 ATOM 3247 C C . THR B 2 93 ? -6.812 -35.215 -7.656 1.00 36.40 ? 93 THR B C 1 ATOM 3248 O O . THR B 2 93 ? -6.909 -34.763 -6.495 1.00 36.32 ? 93 THR B O 1 ATOM 3249 C CB . THR B 2 93 ? -8.162 -34.386 -9.694 1.00 36.95 ? 93 THR B CB 1 ATOM 3250 O OG1 . THR B 2 93 ? -8.133 -33.424 -10.772 1.00 34.85 ? 93 THR B OG1 1 ATOM 3251 C CG2 . THR B 2 93 ? -9.403 -34.144 -8.832 1.00 35.75 ? 93 THR B CG2 1 ATOM 3252 N N . TYR B 2 94 ? -6.601 -36.506 -7.921 1.00 36.11 ? 94 TYR B N 1 ATOM 3253 C CA . TYR B 2 94 ? -6.449 -37.514 -6.861 1.00 36.70 ? 94 TYR B CA 1 ATOM 3254 C C . TYR B 2 94 ? -5.348 -37.130 -5.864 1.00 36.51 ? 94 TYR B C 1 ATOM 3255 O O . TYR B 2 94 ? -5.599 -37.096 -4.644 1.00 37.28 ? 94 TYR B O 1 ATOM 3256 C CB . TYR B 2 94 ? -6.177 -38.900 -7.449 1.00 36.61 ? 94 TYR B CB 1 ATOM 3257 C CG . TYR B 2 94 ? -5.897 -39.972 -6.400 1.00 37.13 ? 94 TYR B CG 1 ATOM 3258 C CD1 . TYR B 2 94 ? -6.928 -40.699 -5.834 1.00 37.72 ? 94 TYR B CD1 1 ATOM 3259 C CD2 . TYR B 2 94 ? -4.594 -40.263 -6.009 1.00 38.04 ? 94 TYR B CD2 1 ATOM 3260 C CE1 . TYR B 2 94 ? -6.671 -41.696 -4.869 1.00 37.99 ? 94 TYR B CE1 1 ATOM 3261 C CE2 . TYR B 2 94 ? -4.315 -41.256 -5.051 1.00 39.01 ? 94 TYR B CE2 1 ATOM 3262 C CZ . TYR B 2 94 ? -5.360 -41.958 -4.481 1.00 38.91 ? 94 TYR B CZ 1 ATOM 3263 O OH . TYR B 2 94 ? -5.082 -42.930 -3.529 1.00 39.60 ? 94 TYR B OH 1 ATOM 3264 N N . ASN B 2 95 ? -4.151 -36.830 -6.377 1.00 36.17 ? 95 ASN B N 1 ATOM 3265 C CA . ASN B 2 95 ? -3.011 -36.426 -5.544 1.00 36.64 ? 95 ASN B CA 1 ATOM 3266 C C . ASN B 2 95 ? -3.328 -35.225 -4.653 1.00 36.27 ? 95 ASN B C 1 ATOM 3267 O O . ASN B 2 95 ? -2.992 -35.234 -3.455 1.00 35.93 ? 95 ASN B O 1 ATOM 3268 C CB . ASN B 2 95 ? -1.767 -36.118 -6.393 1.00 36.87 ? 95 ASN B CB 1 ATOM 3269 C CG . ASN B 2 95 ? -1.135 -37.372 -6.999 1.00 37.37 ? 95 ASN B CG 1 ATOM 3270 O OD1 . ASN B 2 95 ? -1.526 -38.500 -6.681 1.00 38.01 ? 95 ASN B OD1 1 ATOM 3271 N ND2 . ASN B 2 95 ? -0.151 -37.171 -7.898 1.00 37.37 ? 95 ASN B ND2 1 ATOM 3272 N N . ALA B 2 96 ? -3.954 -34.201 -5.233 1.00 34.78 ? 96 ALA B N 1 ATOM 3273 C CA . ALA B 2 96 ? -4.299 -32.990 -4.488 1.00 35.01 ? 96 ALA B CA 1 ATOM 3274 C C . ALA B 2 96 ? -5.343 -33.292 -3.400 1.00 34.72 ? 96 ALA B C 1 ATOM 3275 O O . ALA B 2 96 ? -5.149 -32.936 -2.225 1.00 34.83 ? 96 ALA B O 1 ATOM 3276 C CB . ALA B 2 96 ? -4.784 -31.884 -5.422 1.00 34.56 ? 96 ALA B CB 1 ATOM 3277 N N . GLU B 2 97 ? -6.420 -33.975 -3.784 1.00 34.07 ? 97 GLU B N 1 ATOM 3278 C CA . GLU B 2 97 ? -7.516 -34.258 -2.852 1.00 34.51 ? 97 GLU B CA 1 ATOM 3279 C C . GLU B 2 97 ? -7.053 -35.164 -1.718 1.00 34.58 ? 97 GLU B C 1 ATOM 3280 O O . GLU B 2 97 ? -7.322 -34.886 -0.530 1.00 33.94 ? 97 GLU B O 1 ATOM 3281 C CB . GLU B 2 97 ? -8.740 -34.822 -3.583 1.00 34.61 ? 97 GLU B CB 1 ATOM 3282 C CG . GLU B 2 97 ? -9.439 -33.760 -4.458 1.00 33.47 ? 97 GLU B CG 1 ATOM 3283 C CD . GLU B 2 97 ? -10.701 -34.241 -5.140 1.00 35.62 ? 97 GLU B CD 1 ATOM 3284 O OE1 . GLU B 2 97 ? -11.079 -35.437 -5.009 1.00 36.45 ? 97 GLU B OE1 1 ATOM 3285 O OE2 . GLU B 2 97 ? -11.340 -33.409 -5.827 1.00 34.31 ? 97 GLU B OE2 1 ATOM 3286 N N . LEU B 2 98 ? -6.323 -36.216 -2.071 1.00 34.52 ? 98 LEU B N 1 ATOM 3287 C CA . LEU B 2 98 ? -5.856 -37.172 -1.061 1.00 35.46 ? 98 LEU B CA 1 ATOM 3288 C C . LEU B 2 98 ? -4.899 -36.532 -0.081 1.00 35.67 ? 98 LEU B C 1 ATOM 3289 O O . LEU B 2 98 ? -4.994 -36.744 1.160 1.00 35.01 ? 98 LEU B O 1 ATOM 3290 C CB . LEU B 2 98 ? -5.206 -38.397 -1.705 1.00 34.92 ? 98 LEU B CB 1 ATOM 3291 C CG . LEU B 2 98 ? -4.804 -39.456 -0.656 1.00 35.76 ? 98 LEU B CG 1 ATOM 3292 C CD1 . LEU B 2 98 ? -6.027 -40.027 0.060 1.00 34.11 ? 98 LEU B CD1 1 ATOM 3293 C CD2 . LEU B 2 98 ? -3.991 -40.574 -1.282 1.00 35.86 ? 98 LEU B CD2 1 ATOM 3294 N N . LEU B 2 99 ? -3.967 -35.762 -0.626 1.00 35.75 ? 99 LEU B N 1 ATOM 3295 C CA . LEU B 2 99 ? -2.953 -35.116 0.176 1.00 36.71 ? 99 LEU B CA 1 ATOM 3296 C C . LEU B 2 99 ? -3.601 -34.213 1.210 1.00 36.01 ? 99 LEU B C 1 ATOM 3297 O O . LEU B 2 99 ? -3.244 -34.263 2.399 1.00 35.90 ? 99 LEU B O 1 ATOM 3298 C CB . LEU B 2 99 ? -2.016 -34.291 -0.706 1.00 36.90 ? 99 LEU B CB 1 ATOM 3299 C CG . LEU B 2 99 ? -0.878 -33.530 -0.007 1.00 37.70 ? 99 LEU B CG 1 ATOM 3300 C CD1 . LEU B 2 99 ? -0.127 -34.383 0.985 1.00 38.27 ? 99 LEU B CD1 1 ATOM 3301 C CD2 . LEU B 2 99 ? 0.097 -32.967 -1.052 1.00 38.46 ? 99 LEU B CD2 1 ATOM 3302 N N . VAL B 2 100 ? -4.539 -33.387 0.752 1.00 34.74 ? 100 VAL B N 1 ATOM 3303 C CA . VAL B 2 100 ? -5.275 -32.482 1.637 1.00 33.94 ? 100 VAL B CA 1 ATOM 3304 C C . VAL B 2 100 ? -6.068 -33.241 2.709 1.00 33.48 ? 100 VAL B C 1 ATOM 3305 O O . VAL B 2 100 ? -6.082 -32.824 3.876 1.00 32.11 ? 100 VAL B O 1 ATOM 3306 C CB . VAL B 2 100 ? -6.199 -31.542 0.837 1.00 33.95 ? 100 VAL B CB 1 ATOM 3307 C CG1 . VAL B 2 100 ? -7.159 -30.794 1.764 1.00 32.69 ? 100 VAL B CG1 1 ATOM 3308 C CG2 . VAL B 2 100 ? -5.356 -30.523 0.031 1.00 34.28 ? 100 VAL B CG2 1 ATOM 3309 N N . LEU B 2 101 ? -6.717 -34.344 2.341 1.00 32.79 ? 101 LEU B N 1 ATOM 3310 C CA . LEU B 2 101 ? -7.476 -35.131 3.348 1.00 33.01 ? 101 LEU B CA 1 ATOM 3311 C C . LEU B 2 101 ? -6.569 -35.734 4.419 1.00 33.27 ? 101 LEU B C 1 ATOM 3312 O O . LEU B 2 101 ? -6.869 -35.649 5.618 1.00 31.89 ? 101 LEU B O 1 ATOM 3313 C CB . LEU B 2 101 ? -8.279 -36.253 2.687 1.00 33.20 ? 101 LEU B CB 1 ATOM 3314 C CG . LEU B 2 101 ? -9.496 -35.848 1.876 1.00 34.89 ? 101 LEU B CG 1 ATOM 3315 C CD1 . LEU B 2 101 ? -10.193 -37.077 1.285 1.00 36.85 ? 101 LEU B CD1 1 ATOM 3316 C CD2 . LEU B 2 101 ? -10.436 -35.032 2.695 1.00 35.69 ? 101 LEU B CD2 1 ATOM 3317 N N . MET B 2 102 ? -5.478 -36.360 3.975 1.00 32.88 ? 102 MET B N 1 ATOM 3318 C CA . MET B 2 102 ? -4.525 -37.020 4.870 1.00 33.83 ? 102 MET B CA 1 ATOM 3319 C C . MET B 2 102 ? -3.851 -36.019 5.784 1.00 33.71 ? 102 MET B C 1 ATOM 3320 O O . MET B 2 102 ? -3.761 -36.233 7.016 1.00 33.76 ? 102 MET B O 1 ATOM 3321 C CB . MET B 2 102 ? -3.477 -37.774 4.060 1.00 34.29 ? 102 MET B CB 1 ATOM 3322 C CG . MET B 2 102 ? -4.042 -38.943 3.310 1.00 33.22 ? 102 MET B CG 1 ATOM 3323 S SD . MET B 2 102 ? -2.685 -39.863 2.577 1.00 36.49 ? 102 MET B SD 1 ATOM 3324 C CE . MET B 2 102 ? -3.419 -41.479 2.485 1.00 37.67 ? 102 MET B CE 1 ATOM 3325 N N . GLU B 2 103 ? -3.429 -34.901 5.209 1.00 33.14 ? 103 GLU B N 1 ATOM 3326 C CA . GLU B 2 103 ? -2.764 -33.875 6.010 1.00 32.65 ? 103 GLU B CA 1 ATOM 3327 C C . GLU B 2 103 ? -3.705 -33.114 6.952 1.00 31.74 ? 103 GLU B C 1 ATOM 3328 O O . GLU B 2 103 ? -3.306 -32.770 8.082 1.00 31.39 ? 103 GLU B O 1 ATOM 3329 C CB . GLU B 2 103 ? -1.934 -32.949 5.118 1.00 33.69 ? 103 GLU B CB 1 ATOM 3330 C CG . GLU B 2 103 ? -0.630 -33.620 4.608 1.00 35.25 ? 103 GLU B CG 1 ATOM 3331 C CD . GLU B 2 103 ? 0.176 -34.269 5.738 1.00 38.58 ? 103 GLU B CD 1 ATOM 3332 O OE1 . GLU B 2 103 ? 0.276 -33.626 6.816 1.00 38.51 ? 103 GLU B OE1 1 ATOM 3333 O OE2 . GLU B 2 103 ? 0.693 -35.408 5.566 1.00 38.35 ? 103 GLU B OE2 1 ATOM 3334 N N . ASN B 2 104 ? -4.950 -32.885 6.531 1.00 29.94 ? 104 ASN B N 1 ATOM 3335 C CA . ASN B 2 104 ? -5.970 -32.350 7.451 1.00 29.41 ? 104 ASN B CA 1 ATOM 3336 C C . ASN B 2 104 ? -6.123 -33.241 8.684 1.00 29.61 ? 104 ASN B C 1 ATOM 3337 O O . ASN B 2 104 ? -6.163 -32.745 9.823 1.00 28.22 ? 104 ASN B O 1 ATOM 3338 C CB . ASN B 2 104 ? -7.309 -32.198 6.748 1.00 29.38 ? 104 ASN B CB 1 ATOM 3339 C CG . ASN B 2 104 ? -7.342 -30.994 5.826 1.00 29.23 ? 104 ASN B CG 1 ATOM 3340 O OD1 . ASN B 2 104 ? -6.433 -30.165 5.853 1.00 28.17 ? 104 ASN B OD1 1 ATOM 3341 N ND2 . ASN B 2 104 ? -8.406 -30.863 5.055 1.00 27.79 ? 104 ASN B ND2 1 ATOM 3342 N N . GLU B 2 105 ? -6.211 -34.554 8.463 1.00 29.12 ? 105 GLU B N 1 ATOM 3343 C CA . GLU B 2 105 ? -6.277 -35.496 9.604 1.00 31.02 ? 105 GLU B CA 1 ATOM 3344 C C . GLU B 2 105 ? -5.121 -35.293 10.555 1.00 30.27 ? 105 GLU B C 1 ATOM 3345 O O . GLU B 2 105 ? -5.306 -35.177 11.785 1.00 30.77 ? 105 GLU B O 1 ATOM 3346 C CB . GLU B 2 105 ? -6.209 -36.919 9.085 1.00 31.01 ? 105 GLU B CB 1 ATOM 3347 C CG . GLU B 2 105 ? -6.748 -37.935 10.082 1.00 36.28 ? 105 GLU B CG 1 ATOM 3348 C CD . GLU B 2 105 ? -7.470 -39.014 9.334 1.00 41.47 ? 105 GLU B CD 1 ATOM 3349 O OE1 . GLU B 2 105 ? -8.718 -38.948 9.278 1.00 44.02 ? 105 GLU B OE1 1 ATOM 3350 O OE2 . GLU B 2 105 ? -6.784 -39.875 8.748 1.00 45.33 ? 105 GLU B OE2 1 ATOM 3351 N N . ARG B 2 106 ? -3.921 -35.260 9.986 1.00 30.27 ? 106 ARG B N 1 ATOM 3352 C CA A ARG B 2 106 ? -2.737 -35.155 10.809 0.50 30.60 ? 106 ARG B CA 1 ATOM 3353 C CA B ARG B 2 106 ? -2.680 -35.122 10.750 0.50 30.84 ? 106 ARG B CA 1 ATOM 3354 C C . ARG B 2 106 ? -2.621 -33.779 11.467 1.00 30.87 ? 106 ARG B C 1 ATOM 3355 O O . ARG B 2 106 ? -2.115 -33.676 12.599 1.00 30.39 ? 106 ARG B O 1 ATOM 3356 C CB A ARG B 2 106 ? -1.488 -35.577 10.035 0.50 31.11 ? 106 ARG B CB 1 ATOM 3357 C CB B ARG B 2 106 ? -1.449 -35.280 9.847 0.50 31.26 ? 106 ARG B CB 1 ATOM 3358 C CG A ARG B 2 106 ? -1.646 -36.991 9.428 0.50 31.72 ? 106 ARG B CG 1 ATOM 3359 C CG B ARG B 2 106 ? -1.396 -36.601 9.070 0.50 33.77 ? 106 ARG B CG 1 ATOM 3360 C CD A ARG B 2 106 ? -0.316 -37.689 9.215 0.50 34.88 ? 106 ARG B CD 1 ATOM 3361 C CD B ARG B 2 106 ? 0.029 -37.026 8.727 0.50 36.51 ? 106 ARG B CD 1 ATOM 3362 N NE A ARG B 2 106 ? -0.066 -38.150 7.840 0.50 34.34 ? 106 ARG B NE 1 ATOM 3363 N NE B ARG B 2 106 ? 0.462 -38.102 9.618 0.50 38.35 ? 106 ARG B NE 1 ATOM 3364 C CZ A ARG B 2 106 ? -0.942 -38.707 6.993 0.50 36.24 ? 106 ARG B CZ 1 ATOM 3365 C CZ B ARG B 2 106 ? 1.548 -38.093 10.387 0.50 38.38 ? 106 ARG B CZ 1 ATOM 3366 N NH1 A ARG B 2 106 ? -2.210 -38.930 7.326 0.50 36.23 ? 106 ARG B NH1 1 ATOM 3367 N NH1 B ARG B 2 106 ? 2.402 -37.076 10.385 0.50 38.17 ? 106 ARG B NH1 1 ATOM 3368 N NH2 A ARG B 2 106 ? -0.530 -39.044 5.776 0.50 36.78 ? 106 ARG B NH2 1 ATOM 3369 N NH2 B ARG B 2 106 ? 1.790 -39.140 11.147 0.50 39.21 ? 106 ARG B NH2 1 ATOM 3370 N N . THR B 2 107 ? -3.136 -32.745 10.800 1.00 29.43 ? 107 THR B N 1 ATOM 3371 C CA . THR B 2 107 ? -3.156 -31.393 11.382 1.00 29.10 ? 107 THR B CA 1 ATOM 3372 C C . THR B 2 107 ? -3.984 -31.336 12.672 1.00 28.51 ? 107 THR B C 1 ATOM 3373 O O . THR B 2 107 ? -3.554 -30.743 13.657 1.00 27.19 ? 107 THR B O 1 ATOM 3374 C CB . THR B 2 107 ? -3.646 -30.332 10.371 1.00 28.93 ? 107 THR B CB 1 ATOM 3375 O OG1 . THR B 2 107 ? -2.617 -30.141 9.402 1.00 30.40 ? 107 THR B OG1 1 ATOM 3376 C CG2 . THR B 2 107 ? -3.926 -28.979 11.042 1.00 29.51 ? 107 THR B CG2 1 ATOM 3377 N N . LEU B 2 108 ? -5.154 -31.962 12.652 1.00 27.89 ? 108 LEU B N 1 ATOM 3378 C CA . LEU B 2 108 ? -6.027 -31.959 13.832 1.00 28.75 ? 108 LEU B CA 1 ATOM 3379 C C . LEU B 2 108 ? -5.392 -32.751 14.970 1.00 28.76 ? 108 LEU B C 1 ATOM 3380 O O . LEU B 2 108 ? -5.444 -32.351 16.149 1.00 27.86 ? 108 LEU B O 1 ATOM 3381 C CB . LEU B 2 108 ? -7.414 -32.490 13.471 1.00 29.31 ? 108 LEU B CB 1 ATOM 3382 C CG . LEU B 2 108 ? -8.147 -31.709 12.369 1.00 29.66 ? 108 LEU B CG 1 ATOM 3383 C CD1 . LEU B 2 108 ? -9.546 -32.283 12.191 1.00 30.95 ? 108 LEU B CD1 1 ATOM 3384 C CD2 . LEU B 2 108 ? -8.184 -30.205 12.668 1.00 29.69 ? 108 LEU B CD2 1 ATOM 3385 N N . ASP B 2 109 ? -4.757 -33.857 14.616 1.00 28.38 ? 109 ASP B N 1 ATOM 3386 C CA . ASP B 2 109 ? -4.106 -34.702 15.603 1.00 28.56 ? 109 ASP B CA 1 ATOM 3387 C C . ASP B 2 109 ? -2.835 -34.071 16.164 1.00 27.86 ? 109 ASP B C 1 ATOM 3388 O O . ASP B 2 109 ? -2.490 -34.286 17.323 1.00 27.05 ? 109 ASP B O 1 ATOM 3389 C CB . ASP B 2 109 ? -3.829 -36.086 15.023 1.00 29.34 ? 109 ASP B CB 1 ATOM 3390 C CG . ASP B 2 109 ? -5.091 -36.924 14.919 1.00 31.82 ? 109 ASP B CG 1 ATOM 3391 O OD1 . ASP B 2 109 ? -6.013 -36.726 15.745 1.00 36.39 ? 109 ASP B OD1 1 ATOM 3392 O OD2 . ASP B 2 109 ? -5.163 -37.794 14.024 1.00 33.51 ? 109 ASP B OD2 1 ATOM 3393 N N . PHE B 2 110 ? -2.164 -33.277 15.337 1.00 27.20 ? 110 PHE B N 1 ATOM 3394 C CA . PHE B 2 110 ? -1.006 -32.490 15.765 1.00 26.95 ? 110 PHE B CA 1 ATOM 3395 C C . PHE B 2 110 ? -1.352 -31.488 16.880 1.00 25.79 ? 110 PHE B C 1 ATOM 3396 O O . PHE B 2 110 ? -0.674 -31.426 17.905 1.00 25.82 ? 110 PHE B O 1 ATOM 3397 C CB . PHE B 2 110 ? -0.431 -31.805 14.534 1.00 27.26 ? 110 PHE B CB 1 ATOM 3398 C CG . PHE B 2 110 ? 0.731 -30.916 14.794 1.00 26.33 ? 110 PHE B CG 1 ATOM 3399 C CD1 . PHE B 2 110 ? 1.944 -31.427 15.224 1.00 29.36 ? 110 PHE B CD1 1 ATOM 3400 C CD2 . PHE B 2 110 ? 0.636 -29.562 14.509 1.00 27.84 ? 110 PHE B CD2 1 ATOM 3401 C CE1 . PHE B 2 110 ? 3.028 -30.579 15.445 1.00 29.92 ? 110 PHE B CE1 1 ATOM 3402 C CE2 . PHE B 2 110 ? 1.718 -28.719 14.707 1.00 29.09 ? 110 PHE B CE2 1 ATOM 3403 C CZ . PHE B 2 110 ? 2.919 -29.235 15.155 1.00 29.32 ? 110 PHE B CZ 1 ATOM 3404 N N . HIS B 2 111 ? -2.420 -30.724 16.690 1.00 25.01 ? 111 HIS B N 1 ATOM 3405 C CA . HIS B 2 111 ? -2.879 -29.783 17.702 1.00 24.55 ? 111 HIS B CA 1 ATOM 3406 C C . HIS B 2 111 ? -3.265 -30.551 18.981 1.00 24.44 ? 111 HIS B C 1 ATOM 3407 O O . HIS B 2 111 ? -2.977 -30.095 20.094 1.00 23.63 ? 111 HIS B O 1 ATOM 3408 C CB . HIS B 2 111 ? -4.068 -28.998 17.170 1.00 24.95 ? 111 HIS B CB 1 ATOM 3409 C CG . HIS B 2 111 ? -3.719 -27.997 16.113 1.00 25.59 ? 111 HIS B CG 1 ATOM 3410 N ND1 . HIS B 2 111 ? -2.968 -26.873 16.376 1.00 27.32 ? 111 HIS B ND1 1 ATOM 3411 C CD2 . HIS B 2 111 ? -4.055 -27.927 14.800 1.00 27.61 ? 111 HIS B CD2 1 ATOM 3412 C CE1 . HIS B 2 111 ? -2.846 -26.159 15.269 1.00 26.67 ? 111 HIS B CE1 1 ATOM 3413 N NE2 . HIS B 2 111 ? -3.492 -26.779 14.298 1.00 25.54 ? 111 HIS B NE2 1 ATOM 3414 N N . ASP B 2 112 ? -3.863 -31.728 18.808 1.00 24.25 ? 112 ASP B N 1 ATOM 3415 C CA . ASP B 2 112 ? -4.297 -32.573 19.946 1.00 23.86 ? 112 ASP B CA 1 ATOM 3416 C C . ASP B 2 112 ? -3.083 -33.025 20.775 1.00 24.38 ? 112 ASP B C 1 ATOM 3417 O O . ASP B 2 112 ? -3.081 -32.904 22.019 1.00 23.12 ? 112 ASP B O 1 ATOM 3418 C CB . ASP B 2 112 ? -5.118 -33.761 19.413 1.00 25.37 ? 112 ASP B CB 1 ATOM 3419 C CG . ASP B 2 112 ? -5.926 -34.470 20.487 1.00 26.45 ? 112 ASP B CG 1 ATOM 3420 O OD1 . ASP B 2 112 ? -6.057 -33.958 21.646 1.00 25.21 ? 112 ASP B OD1 1 ATOM 3421 O OD2 . ASP B 2 112 ? -6.419 -35.579 20.159 1.00 27.44 ? 112 ASP B OD2 1 ATOM 3422 N N . SER B 2 113 ? -2.051 -33.499 20.070 1.00 23.21 ? 113 SER B N 1 ATOM 3423 C CA . SER B 2 113 ? -0.752 -33.849 20.644 1.00 23.74 ? 113 SER B CA 1 ATOM 3424 C C . SER B 2 113 ? -0.123 -32.657 21.360 1.00 23.52 ? 113 SER B C 1 ATOM 3425 O O . SER B 2 113 ? 0.415 -32.805 22.470 1.00 23.36 ? 113 SER B O 1 ATOM 3426 C CB . SER B 2 113 ? 0.194 -34.384 19.553 1.00 22.92 ? 113 SER B CB 1 ATOM 3427 O OG . SER B 2 113 ? 1.537 -34.471 20.042 1.00 24.70 ? 113 SER B OG 1 ATOM 3428 N N . ASN B 2 114 ? -0.216 -31.475 20.752 1.00 23.02 ? 114 ASN B N 1 ATOM 3429 C CA . ASN B 2 114 ? 0.394 -30.275 21.330 1.00 24.06 ? 114 ASN B CA 1 ATOM 3430 C C . ASN B 2 114 ? -0.250 -29.881 22.653 1.00 24.25 ? 114 ASN B C 1 ATOM 3431 O O . ASN B 2 114 ? 0.440 -29.505 23.621 1.00 25.28 ? 114 ASN B O 1 ATOM 3432 C CB . ASN B 2 114 ? 0.350 -29.102 20.351 1.00 24.26 ? 114 ASN B CB 1 ATOM 3433 C CG . ASN B 2 114 ? 1.335 -29.270 19.203 1.00 25.90 ? 114 ASN B CG 1 ATOM 3434 O OD1 . ASN B 2 114 ? 2.277 -30.070 19.282 1.00 29.38 ? 114 ASN B OD1 1 ATOM 3435 N ND2 . ASN B 2 114 ? 1.115 -28.522 18.128 1.00 27.98 ? 114 ASN B ND2 1 ATOM 3436 N N . VAL B 2 115 ? -1.580 -29.958 22.685 1.00 24.38 ? 115 VAL B N 1 ATOM 3437 C CA . VAL B 2 115 ? -2.343 -29.724 23.925 1.00 24.49 ? 115 VAL B CA 1 ATOM 3438 C C . VAL B 2 115 ? -1.978 -30.753 25.004 1.00 24.51 ? 115 VAL B C 1 ATOM 3439 O O . VAL B 2 115 ? -1.684 -30.385 26.149 1.00 24.82 ? 115 VAL B O 1 ATOM 3440 C CB . VAL B 2 115 ? -3.885 -29.699 23.658 1.00 24.54 ? 115 VAL B CB 1 ATOM 3441 C CG1 . VAL B 2 115 ? -4.670 -29.570 24.990 1.00 24.03 ? 115 VAL B CG1 1 ATOM 3442 C CG2 . VAL B 2 115 ? -4.237 -28.515 22.764 1.00 24.26 ? 115 VAL B CG2 1 ATOM 3443 N N . LYS B 2 116 ? -1.981 -32.029 24.643 1.00 24.08 ? 116 LYS B N 1 ATOM 3444 C CA . LYS B 2 116 ? -1.634 -33.096 25.591 1.00 25.46 ? 116 LYS B CA 1 ATOM 3445 C C . LYS B 2 116 ? -0.208 -32.929 26.145 1.00 24.89 ? 116 LYS B C 1 ATOM 3446 O O . LYS B 2 116 ? 0.021 -33.070 27.348 1.00 23.59 ? 116 LYS B O 1 ATOM 3447 C CB . LYS B 2 116 ? -1.825 -34.484 24.975 1.00 25.08 ? 116 LYS B CB 1 ATOM 3448 C CG . LYS B 2 116 ? -1.466 -35.608 25.964 1.00 27.51 ? 116 LYS B CG 1 ATOM 3449 C CD . LYS B 2 116 ? -1.479 -36.983 25.314 1.00 29.12 ? 116 LYS B CD 1 ATOM 3450 C CE . LYS B 2 116 ? -1.455 -38.087 26.382 1.00 34.91 ? 116 LYS B CE 1 ATOM 3451 N NZ . LYS B 2 116 ? -2.418 -37.838 27.491 1.00 36.38 ? 116 LYS B NZ 1 ATOM 3452 N N . ASN B 2 117 ? 0.732 -32.587 25.275 1.00 24.45 ? 117 ASN B N 1 ATOM 3453 C CA . ASN B 2 117 ? 2.116 -32.418 25.715 1.00 25.13 ? 117 ASN B CA 1 ATOM 3454 C C . ASN B 2 117 ? 2.305 -31.245 26.663 1.00 25.20 ? 117 ASN B C 1 ATOM 3455 O O . ASN B 2 117 ? 3.069 -31.344 27.635 1.00 24.65 ? 117 ASN B O 1 ATOM 3456 C CB . ASN B 2 117 ? 3.056 -32.327 24.520 1.00 24.97 ? 117 ASN B CB 1 ATOM 3457 C CG . ASN B 2 117 ? 3.207 -33.646 23.796 1.00 25.77 ? 117 ASN B CG 1 ATOM 3458 O OD1 . ASN B 2 117 ? 2.871 -34.711 24.309 1.00 26.86 ? 117 ASN B OD1 1 ATOM 3459 N ND2 . ASN B 2 117 ? 3.739 -33.580 22.596 1.00 24.94 ? 117 ASN B ND2 1 ATOM 3460 N N . LEU B 2 118 ? 1.585 -30.154 26.405 1.00 25.29 ? 118 LEU B N 1 ATOM 3461 C CA . LEU B 2 118 ? 1.598 -28.994 27.304 1.00 26.33 ? 118 LEU B CA 1 ATOM 3462 C C . LEU B 2 118 ? 1.009 -29.333 28.670 1.00 25.68 ? 118 LEU B C 1 ATOM 3463 O O . LEU B 2 118 ? 1.574 -28.973 29.712 1.00 25.35 ? 118 LEU B O 1 ATOM 3464 C CB . LEU B 2 118 ? 0.863 -27.805 26.667 1.00 25.95 ? 118 LEU B CB 1 ATOM 3465 C CG . LEU B 2 118 ? 0.757 -26.524 27.510 1.00 27.26 ? 118 LEU B CG 1 ATOM 3466 C CD1 . LEU B 2 118 ? 2.140 -25.990 27.845 1.00 28.88 ? 118 LEU B CD1 1 ATOM 3467 C CD2 . LEU B 2 118 ? -0.040 -25.473 26.754 1.00 28.13 ? 118 LEU B CD2 1 ATOM 3468 N N . TYR B 2 119 ? -0.123 -30.034 28.658 1.00 25.86 ? 119 TYR B N 1 ATOM 3469 C CA . TYR B 2 119 ? -0.750 -30.542 29.876 1.00 25.87 ? 119 TYR B CA 1 ATOM 3470 C C . TYR B 2 119 ? 0.214 -31.391 30.701 1.00 26.20 ? 119 TYR B C 1 ATOM 3471 O O . TYR B 2 119 ? 0.366 -31.194 31.908 1.00 25.14 ? 119 TYR B O 1 ATOM 3472 C CB . TYR B 2 119 ? -2.023 -31.336 29.540 1.00 25.87 ? 119 TYR B CB 1 ATOM 3473 C CG . TYR B 2 119 ? -2.727 -31.878 30.762 1.00 26.53 ? 119 TYR B CG 1 ATOM 3474 C CD1 . TYR B 2 119 ? -3.595 -31.079 31.505 1.00 26.50 ? 119 TYR B CD1 1 ATOM 3475 C CD2 . TYR B 2 119 ? -2.534 -33.203 31.172 1.00 26.34 ? 119 TYR B CD2 1 ATOM 3476 C CE1 . TYR B 2 119 ? -4.237 -31.573 32.641 1.00 28.03 ? 119 TYR B CE1 1 ATOM 3477 C CE2 . TYR B 2 119 ? -3.172 -33.705 32.317 1.00 27.37 ? 119 TYR B CE2 1 ATOM 3478 C CZ . TYR B 2 119 ? -4.024 -32.885 33.036 1.00 27.58 ? 119 TYR B CZ 1 ATOM 3479 O OH . TYR B 2 119 ? -4.667 -33.354 34.158 1.00 27.62 ? 119 TYR B OH 1 ATOM 3480 N N . ASP B 2 120 ? 0.865 -32.336 30.038 1.00 26.20 ? 120 ASP B N 1 ATOM 3481 C CA . ASP B 2 120 ? 1.772 -33.257 30.697 1.00 27.30 ? 120 ASP B CA 1 ATOM 3482 C C . ASP B 2 120 ? 3.002 -32.563 31.253 1.00 27.47 ? 120 ASP B C 1 ATOM 3483 O O . ASP B 2 120 ? 3.501 -32.944 32.292 1.00 27.05 ? 120 ASP B O 1 ATOM 3484 C CB . ASP B 2 120 ? 2.181 -34.363 29.733 1.00 28.06 ? 120 ASP B CB 1 ATOM 3485 C CG . ASP B 2 120 ? 1.124 -35.436 29.599 1.00 28.91 ? 120 ASP B CG 1 ATOM 3486 O OD1 . ASP B 2 120 ? 0.353 -35.661 30.566 1.00 30.40 ? 120 ASP B OD1 1 ATOM 3487 O OD2 . ASP B 2 120 ? 1.075 -36.073 28.528 1.00 29.25 ? 120 ASP B OD2 1 ATOM 3488 N N . LYS B 2 121 ? 3.491 -31.550 30.546 1.00 28.10 ? 121 LYS B N 1 ATOM 3489 C CA . LYS B 2 121 ? 4.619 -30.742 31.022 1.00 28.94 ? 121 LYS B CA 1 ATOM 3490 C C . LYS B 2 121 ? 4.292 -30.067 32.350 1.00 28.90 ? 121 LYS B C 1 ATOM 3491 O O . LYS B 2 121 ? 5.077 -30.124 33.299 1.00 28.27 ? 121 LYS B O 1 ATOM 3492 C CB . LYS B 2 121 ? 4.950 -29.691 29.963 1.00 29.81 ? 121 LYS B CB 1 ATOM 3493 C CG . LYS B 2 121 ? 6.252 -28.947 30.145 1.00 31.98 ? 121 LYS B CG 1 ATOM 3494 C CD . LYS B 2 121 ? 6.487 -28.056 28.903 1.00 36.00 ? 121 LYS B CD 1 ATOM 3495 C CE . LYS B 2 121 ? 7.980 -27.903 28.566 1.00 38.33 ? 121 LYS B CE 1 ATOM 3496 N NZ . LYS B 2 121 ? 8.796 -27.530 29.759 1.00 39.08 ? 121 LYS B NZ 1 ATOM 3497 N N . VAL B 2 122 ? 3.121 -29.435 32.411 1.00 28.83 ? 122 VAL B N 1 ATOM 3498 C CA . VAL B 2 122 ? 2.649 -28.788 33.642 1.00 28.61 ? 122 VAL B CA 1 ATOM 3499 C C . VAL B 2 122 ? 2.435 -29.823 34.749 1.00 28.79 ? 122 VAL B C 1 ATOM 3500 O O . VAL B 2 122 ? 2.939 -29.671 35.873 1.00 28.48 ? 122 VAL B O 1 ATOM 3501 C CB . VAL B 2 122 ? 1.368 -27.980 33.348 1.00 29.09 ? 122 VAL B CB 1 ATOM 3502 C CG1 . VAL B 2 122 ? 0.744 -27.433 34.623 1.00 27.54 ? 122 VAL B CG1 1 ATOM 3503 C CG2 . VAL B 2 122 ? 1.678 -26.854 32.363 1.00 28.22 ? 122 VAL B CG2 1 ATOM 3504 N N . ARG B 2 123 ? 1.706 -30.890 34.427 1.00 28.50 ? 123 ARG B N 1 ATOM 3505 C CA . ARG B 2 123 ? 1.509 -32.004 35.361 1.00 29.01 ? 123 ARG B CA 1 ATOM 3506 C C . ARG B 2 123 ? 2.824 -32.478 36.012 1.00 29.78 ? 123 ARG B C 1 ATOM 3507 O O . ARG B 2 123 ? 2.913 -32.604 37.244 1.00 29.80 ? 123 ARG B O 1 ATOM 3508 C CB . ARG B 2 123 ? 0.808 -33.165 34.638 1.00 28.13 ? 123 ARG B CB 1 ATOM 3509 C CG . ARG B 2 123 ? 0.568 -34.366 35.534 1.00 27.81 ? 123 ARG B CG 1 ATOM 3510 C CD . ARG B 2 123 ? -0.102 -35.536 34.805 1.00 29.25 ? 123 ARG B CD 1 ATOM 3511 N NE . ARG B 2 123 ? 0.651 -36.022 33.639 1.00 29.57 ? 123 ARG B NE 1 ATOM 3512 C CZ . ARG B 2 123 ? 1.686 -36.863 33.706 1.00 31.37 ? 123 ARG B CZ 1 ATOM 3513 N NH1 . ARG B 2 123 ? 2.128 -37.301 34.892 1.00 28.70 ? 123 ARG B NH1 1 ATOM 3514 N NH2 . ARG B 2 123 ? 2.287 -37.255 32.588 1.00 31.60 ? 123 ARG B NH2 1 ATOM 3515 N N . MET B 2 124 ? 3.839 -32.708 35.182 1.00 31.77 ? 124 MET B N 1 ATOM 3516 C CA . MET B 2 124 ? 5.114 -33.285 35.612 1.00 34.57 ? 124 MET B CA 1 ATOM 3517 C C . MET B 2 124 ? 5.934 -32.305 36.448 1.00 34.82 ? 124 MET B C 1 ATOM 3518 O O . MET B 2 124 ? 6.810 -32.715 37.210 1.00 35.04 ? 124 MET B O 1 ATOM 3519 C CB . MET B 2 124 ? 5.909 -33.844 34.417 1.00 34.16 ? 124 MET B CB 1 ATOM 3520 C CG . MET B 2 124 ? 5.231 -35.068 33.748 1.00 36.34 ? 124 MET B CG 1 ATOM 3521 S SD . MET B 2 124 ? 6.061 -35.874 32.333 1.00 39.62 ? 124 MET B SD 1 ATOM 3522 C CE . MET B 2 124 ? 7.297 -36.824 33.202 1.00 38.74 ? 124 MET B CE 1 ATOM 3523 N N . GLN B 2 125 ? 5.613 -31.016 36.331 1.00 35.24 ? 125 GLN B N 1 ATOM 3524 C CA . GLN B 2 125 ? 6.239 -29.958 37.119 1.00 35.89 ? 125 GLN B CA 1 ATOM 3525 C C . GLN B 2 125 ? 5.552 -29.758 38.479 1.00 34.72 ? 125 GLN B C 1 ATOM 3526 O O . GLN B 2 125 ? 6.224 -29.617 39.507 1.00 35.11 ? 125 GLN B O 1 ATOM 3527 C CB . GLN B 2 125 ? 6.281 -28.652 36.304 1.00 36.23 ? 125 GLN B CB 1 ATOM 3528 C CG . GLN B 2 125 ? 7.049 -27.493 36.973 1.00 38.31 ? 125 GLN B CG 1 ATOM 3529 C CD . GLN B 2 125 ? 7.501 -26.426 35.969 1.00 38.02 ? 125 GLN B CD 1 ATOM 3530 O OE1 . GLN B 2 125 ? 7.158 -25.247 36.097 1.00 40.14 ? 125 GLN B OE1 1 ATOM 3531 N NE2 . GLN B 2 125 ? 8.277 -26.839 34.971 1.00 40.28 ? 125 GLN B NE2 1 ATOM 3532 N N . LEU B 2 126 ? 4.221 -29.774 38.488 1.00 33.42 ? 126 LEU B N 1 ATOM 3533 C CA . LEU B 2 126 ? 3.443 -29.550 39.705 1.00 32.87 ? 126 LEU B CA 1 ATOM 3534 C C . LEU B 2 126 ? 3.478 -30.756 40.635 1.00 32.41 ? 126 LEU B C 1 ATOM 3535 O O . LEU B 2 126 ? 3.489 -30.602 41.852 1.00 32.65 ? 126 LEU B O 1 ATOM 3536 C CB . LEU B 2 126 ? 1.994 -29.189 39.366 1.00 32.80 ? 126 LEU B CB 1 ATOM 3537 C CG . LEU B 2 126 ? 1.732 -27.964 38.475 1.00 33.54 ? 126 LEU B CG 1 ATOM 3538 C CD1 . LEU B 2 126 ? 0.247 -27.854 38.182 1.00 32.35 ? 126 LEU B CD1 1 ATOM 3539 C CD2 . LEU B 2 126 ? 2.240 -26.674 39.131 1.00 35.54 ? 126 LEU B CD2 1 ATOM 3540 N N . ARG B 2 127 ? 3.500 -31.955 40.055 1.00 31.90 ? 127 ARG B N 1 ATOM 3541 C CA . ARG B 2 127 ? 3.540 -33.210 40.828 1.00 31.96 ? 127 ARG B CA 1 ATOM 3542 C C . ARG B 2 127 ? 2.415 -33.286 41.868 1.00 31.82 ? 127 ARG B C 1 ATOM 3543 O O . ARG B 2 127 ? 1.272 -32.953 41.544 1.00 31.42 ? 127 ARG B O 1 ATOM 3544 C CB . ARG B 2 127 ? 4.936 -33.438 41.426 1.00 31.90 ? 127 ARG B CB 1 ATOM 3545 C CG . ARG B 2 127 ? 6.051 -33.239 40.396 1.00 33.56 ? 127 ARG B CG 1 ATOM 3546 C CD . ARG B 2 127 ? 7.417 -33.434 40.977 1.00 36.25 ? 127 ARG B CD 1 ATOM 3547 N NE . ARG B 2 127 ? 7.567 -34.807 41.442 1.00 39.23 ? 127 ARG B NE 1 ATOM 3548 C CZ . ARG B 2 127 ? 8.528 -35.229 42.252 1.00 41.35 ? 127 ARG B CZ 1 ATOM 3549 N NH1 . ARG B 2 127 ? 9.457 -34.387 42.704 1.00 42.23 ? 127 ARG B NH1 1 ATOM 3550 N NH2 . ARG B 2 127 ? 8.557 -36.508 42.607 1.00 42.89 ? 127 ARG B NH2 1 ATOM 3551 N N . ASP B 2 128 ? 2.718 -33.699 43.108 1.00 32.15 ? 128 ASP B N 1 ATOM 3552 C CA . ASP B 2 128 ? 1.672 -33.905 44.109 1.00 32.68 ? 128 ASP B CA 1 ATOM 3553 C C . ASP B 2 128 ? 1.380 -32.667 44.967 1.00 32.66 ? 128 ASP B C 1 ATOM 3554 O O . ASP B 2 128 ? 0.725 -32.756 46.014 1.00 32.97 ? 128 ASP B O 1 ATOM 3555 C CB . ASP B 2 128 ? 1.982 -35.128 44.986 1.00 33.00 ? 128 ASP B CB 1 ATOM 3556 C CG . ASP B 2 128 ? 3.310 -35.007 45.717 1.00 34.73 ? 128 ASP B CG 1 ATOM 3557 O OD1 . ASP B 2 128 ? 4.033 -34.024 45.470 1.00 36.63 ? 128 ASP B OD1 1 ATOM 3558 O OD2 . ASP B 2 128 ? 3.630 -35.897 46.538 1.00 35.23 ? 128 ASP B OD2 1 ATOM 3559 N N . ASN B 2 129 ? 1.868 -31.515 44.511 1.00 32.48 ? 129 ASN B N 1 ATOM 3560 C CA . ASN B 2 129 ? 1.459 -30.238 45.073 1.00 32.26 ? 129 ASN B CA 1 ATOM 3561 C C . ASN B 2 129 ? 0.086 -29.792 44.588 1.00 32.27 ? 129 ASN B C 1 ATOM 3562 O O . ASN B 2 129 ? -0.465 -28.797 45.081 1.00 32.38 ? 129 ASN B O 1 ATOM 3563 C CB . ASN B 2 129 ? 2.502 -29.170 44.774 1.00 32.29 ? 129 ASN B CB 1 ATOM 3564 C CG . ASN B 2 129 ? 3.711 -29.266 45.696 1.00 32.85 ? 129 ASN B CG 1 ATOM 3565 O OD1 . ASN B 2 129 ? 3.705 -30.026 46.679 1.00 33.39 ? 129 ASN B OD1 1 ATOM 3566 N ND2 . ASN B 2 129 ? 4.762 -28.503 45.379 1.00 33.68 ? 129 ASN B ND2 1 ATOM 3567 N N . VAL B 2 130 ? -0.461 -30.536 43.622 1.00 31.76 ? 130 VAL B N 1 ATOM 3568 C CA . VAL B 2 130 ? -1.794 -30.267 43.070 1.00 31.16 ? 130 VAL B CA 1 ATOM 3569 C C . VAL B 2 130 ? -2.639 -31.542 42.984 1.00 30.93 ? 130 VAL B C 1 ATOM 3570 O O . VAL B 2 130 ? -2.099 -32.655 43.000 1.00 30.52 ? 130 VAL B O 1 ATOM 3571 C CB . VAL B 2 130 ? -1.702 -29.615 41.659 1.00 31.22 ? 130 VAL B CB 1 ATOM 3572 C CG1 . VAL B 2 130 ? -0.979 -28.273 41.732 1.00 31.38 ? 130 VAL B CG1 1 ATOM 3573 C CG2 . VAL B 2 130 ? -1.009 -30.558 40.645 1.00 31.71 ? 130 VAL B CG2 1 ATOM 3574 N N . LYS B 2 131 ? -3.960 -31.370 42.889 1.00 30.56 ? 131 LYS B N 1 ATOM 3575 C CA . LYS B 2 131 ? -4.882 -32.459 42.539 1.00 30.80 ? 131 LYS B CA 1 ATOM 3576 C C . LYS B 2 131 ? -5.163 -32.359 41.056 1.00 30.46 ? 131 LYS B C 1 ATOM 3577 O O . LYS B 2 131 ? -5.451 -31.283 40.561 1.00 29.54 ? 131 LYS B O 1 ATOM 3578 C CB . LYS B 2 131 ? -6.230 -32.315 43.249 1.00 31.59 ? 131 LYS B CB 1 ATOM 3579 C CG . LYS B 2 131 ? -6.274 -32.801 44.656 1.00 33.67 ? 131 LYS B CG 1 ATOM 3580 C CD . LYS B 2 131 ? -7.715 -33.103 45.087 1.00 38.38 ? 131 LYS B CD 1 ATOM 3581 C CE . LYS B 2 131 ? -8.508 -31.845 45.430 1.00 40.01 ? 131 LYS B CE 1 ATOM 3582 N NZ . LYS B 2 131 ? -8.130 -31.294 46.768 1.00 42.94 ? 131 LYS B NZ 1 ATOM 3583 N N . GLU B 2 132 ? -5.108 -33.491 40.370 1.00 30.05 ? 132 GLU B N 1 ATOM 3584 C CA . GLU B 2 132 ? -5.474 -33.565 38.971 1.00 30.04 ? 132 GLU B CA 1 ATOM 3585 C C . GLU B 2 132 ? -6.974 -33.835 38.894 1.00 29.61 ? 132 GLU B C 1 ATOM 3586 O O . GLU B 2 132 ? -7.427 -34.934 39.217 1.00 29.29 ? 132 GLU B O 1 ATOM 3587 C CB . GLU B 2 132 ? -4.699 -34.714 38.352 1.00 30.51 ? 132 GLU B CB 1 ATOM 3588 C CG . GLU B 2 132 ? -4.858 -34.839 36.895 1.00 32.20 ? 132 GLU B CG 1 ATOM 3589 C CD . GLU B 2 132 ? -3.773 -35.692 36.274 1.00 34.05 ? 132 GLU B CD 1 ATOM 3590 O OE1 . GLU B 2 132 ? -3.741 -35.761 35.030 1.00 32.61 ? 132 GLU B OE1 1 ATOM 3591 O OE2 . GLU B 2 132 ? -2.957 -36.272 37.025 1.00 34.29 ? 132 GLU B OE2 1 ATOM 3592 N N . LEU B 2 133 ? -7.750 -32.824 38.505 1.00 29.32 ? 133 LEU B N 1 ATOM 3593 C CA . LEU B 2 133 ? -9.216 -32.951 38.518 1.00 29.66 ? 133 LEU B CA 1 ATOM 3594 C C . LEU B 2 133 ? -9.793 -33.900 37.462 1.00 29.92 ? 133 LEU B C 1 ATOM 3595 O O . LEU B 2 133 ? -10.811 -34.571 37.704 1.00 30.56 ? 133 LEU B O 1 ATOM 3596 C CB . LEU B 2 133 ? -9.883 -31.569 38.475 1.00 29.12 ? 133 LEU B CB 1 ATOM 3597 C CG . LEU B 2 133 ? -9.525 -30.627 39.636 1.00 31.17 ? 133 LEU B CG 1 ATOM 3598 C CD1 . LEU B 2 133 ? -10.378 -29.361 39.617 1.00 30.98 ? 133 LEU B CD1 1 ATOM 3599 C CD2 . LEU B 2 133 ? -9.668 -31.321 40.990 1.00 31.45 ? 133 LEU B CD2 1 ATOM 3600 N N . GLY B 2 134 ? -9.123 -33.974 36.316 1.00 29.33 ? 134 GLY B N 1 ATOM 3601 C CA . GLY B 2 134 ? -9.546 -34.816 35.197 1.00 29.21 ? 134 GLY B CA 1 ATOM 3602 C C . GLY B 2 134 ? -10.137 -34.047 34.033 1.00 29.09 ? 134 GLY B C 1 ATOM 3603 O O . GLY B 2 134 ? -10.573 -34.653 33.051 1.00 28.86 ? 134 GLY B O 1 ATOM 3604 N N . ASN B 2 135 ? -10.128 -32.718 34.134 1.00 28.60 ? 135 ASN B N 1 ATOM 3605 C CA . ASN B 2 135 ? -10.771 -31.836 33.146 1.00 28.83 ? 135 ASN B CA 1 ATOM 3606 C C . ASN B 2 135 ? -9.800 -30.803 32.549 1.00 28.19 ? 135 ASN B C 1 ATOM 3607 O O . ASN B 2 135 ? -10.234 -29.798 31.983 1.00 28.67 ? 135 ASN B O 1 ATOM 3608 C CB . ASN B 2 135 ? -11.954 -31.098 33.814 1.00 29.10 ? 135 ASN B CB 1 ATOM 3609 C CG . ASN B 2 135 ? -11.515 -30.231 34.978 1.00 31.00 ? 135 ASN B CG 1 ATOM 3610 O OD1 . ASN B 2 135 ? -10.347 -30.246 35.369 1.00 32.61 ? 135 ASN B OD1 1 ATOM 3611 N ND2 . ASN B 2 135 ? -12.458 -29.487 35.567 1.00 32.61 ? 135 ASN B ND2 1 ATOM 3612 N N . GLY B 2 136 ? -8.497 -31.049 32.686 1.00 27.80 ? 136 GLY B N 1 ATOM 3613 C CA . GLY B 2 136 ? -7.480 -30.095 32.233 1.00 28.28 ? 136 GLY B CA 1 ATOM 3614 C C . GLY B 2 136 ? -6.977 -29.157 33.324 1.00 28.21 ? 136 GLY B C 1 ATOM 3615 O O . GLY B 2 136 ? -6.051 -28.361 33.098 1.00 28.17 ? 136 GLY B O 1 ATOM 3616 N N . CYS B 2 137 ? -7.607 -29.235 34.498 1.00 28.13 ? 137 CYS B N 1 ATOM 3617 C CA . CYS B 2 137 ? -7.276 -28.370 35.631 1.00 28.34 ? 137 CYS B CA 1 ATOM 3618 C C . CYS B 2 137 ? -6.489 -29.059 36.739 1.00 28.44 ? 137 CYS B C 1 ATOM 3619 O O . CYS B 2 137 ? -6.701 -30.241 37.044 1.00 28.21 ? 137 CYS B O 1 ATOM 3620 C CB . CYS B 2 137 ? -8.560 -27.832 36.266 1.00 28.68 ? 137 CYS B CB 1 ATOM 3621 S SG . CYS B 2 137 ? -9.546 -26.814 35.182 1.00 29.26 ? 137 CYS B SG 1 ATOM 3622 N N . PHE B 2 138 ? -5.622 -28.274 37.373 1.00 28.40 ? 138 PHE B N 1 ATOM 3623 C CA . PHE B 2 138 ? -4.928 -28.683 38.586 1.00 28.20 ? 138 PHE B CA 1 ATOM 3624 C C . PHE B 2 138 ? -5.356 -27.746 39.700 1.00 28.90 ? 138 PHE B C 1 ATOM 3625 O O . PHE B 2 138 ? -5.273 -26.521 39.550 1.00 28.32 ? 138 PHE B O 1 ATOM 3626 C CB . PHE B 2 138 ? -3.416 -28.621 38.405 1.00 27.70 ? 138 PHE B CB 1 ATOM 3627 C CG . PHE B 2 138 ? -2.917 -29.374 37.193 1.00 27.25 ? 138 PHE B CG 1 ATOM 3628 C CD1 . PHE B 2 138 ? -2.575 -30.721 37.283 1.00 27.47 ? 138 PHE B CD1 1 ATOM 3629 C CD2 . PHE B 2 138 ? -2.775 -28.723 35.970 1.00 28.48 ? 138 PHE B CD2 1 ATOM 3630 C CE1 . PHE B 2 138 ? -2.106 -31.411 36.145 1.00 26.70 ? 138 PHE B CE1 1 ATOM 3631 C CE2 . PHE B 2 138 ? -2.317 -29.418 34.828 1.00 27.68 ? 138 PHE B CE2 1 ATOM 3632 C CZ . PHE B 2 138 ? -1.978 -30.749 34.938 1.00 27.41 ? 138 PHE B CZ 1 ATOM 3633 N N . GLU B 2 139 ? -5.824 -28.338 40.799 1.00 30.37 ? 139 GLU B N 1 ATOM 3634 C CA . GLU B 2 139 ? -6.195 -27.588 41.998 1.00 31.93 ? 139 GLU B CA 1 ATOM 3635 C C . GLU B 2 139 ? -5.065 -27.709 43.013 1.00 32.31 ? 139 GLU B C 1 ATOM 3636 O O . GLU B 2 139 ? -4.704 -28.814 43.428 1.00 32.03 ? 139 GLU B O 1 ATOM 3637 C CB . GLU B 2 139 ? -7.510 -28.127 42.574 1.00 31.79 ? 139 GLU B CB 1 ATOM 3638 C CG . GLU B 2 139 ? -7.918 -27.547 43.934 1.00 34.13 ? 139 GLU B CG 1 ATOM 3639 C CD . GLU B 2 139 ? -9.059 -28.325 44.577 1.00 34.16 ? 139 GLU B CD 1 ATOM 3640 O OE1 . GLU B 2 139 ? -10.066 -28.616 43.896 1.00 38.47 ? 139 GLU B OE1 1 ATOM 3641 O OE2 . GLU B 2 139 ? -8.955 -28.658 45.774 1.00 39.94 ? 139 GLU B OE2 1 ATOM 3642 N N . PHE B 2 140 ? -4.537 -26.556 43.421 1.00 32.73 ? 140 PHE B N 1 ATOM 3643 C CA . PHE B 2 140 ? -3.375 -26.463 44.297 1.00 32.97 ? 140 PHE B CA 1 ATOM 3644 C C . PHE B 2 140 ? -3.672 -26.808 45.766 1.00 33.02 ? 140 PHE B C 1 ATOM 3645 O O . PHE B 2 140 ? -4.728 -26.465 46.306 1.00 32.98 ? 140 PHE B O 1 ATOM 3646 C CB . PHE B 2 140 ? -2.785 -25.051 44.219 1.00 33.16 ? 140 PHE B CB 1 ATOM 3647 C CG . PHE B 2 140 ? -2.090 -24.750 42.928 1.00 32.62 ? 140 PHE B CG 1 ATOM 3648 C CD1 . PHE B 2 140 ? -0.711 -24.886 42.827 1.00 32.50 ? 140 PHE B CD1 1 ATOM 3649 C CD2 . PHE B 2 140 ? -2.803 -24.325 41.808 1.00 33.39 ? 140 PHE B CD2 1 ATOM 3650 C CE1 . PHE B 2 140 ? -0.047 -24.607 41.647 1.00 33.30 ? 140 PHE B CE1 1 ATOM 3651 C CE2 . PHE B 2 140 ? -2.142 -24.047 40.612 1.00 33.89 ? 140 PHE B CE2 1 ATOM 3652 C CZ . PHE B 2 140 ? -0.759 -24.192 40.531 1.00 33.10 ? 140 PHE B CZ 1 ATOM 3653 N N . TYR B 2 141 ? -2.731 -27.505 46.388 1.00 32.96 ? 141 TYR B N 1 ATOM 3654 C CA . TYR B 2 141 ? -2.790 -27.820 47.814 1.00 34.12 ? 141 TYR B CA 1 ATOM 3655 C C . TYR B 2 141 ? -2.183 -26.672 48.634 1.00 34.34 ? 141 TYR B C 1 ATOM 3656 O O . TYR B 2 141 ? -2.007 -26.776 49.858 1.00 34.73 ? 141 TYR B O 1 ATOM 3657 C CB . TYR B 2 141 ? -2.035 -29.111 48.088 1.00 34.10 ? 141 TYR B CB 1 ATOM 3658 C CG . TYR B 2 141 ? -2.810 -30.370 47.794 1.00 34.85 ? 141 TYR B CG 1 ATOM 3659 C CD1 . TYR B 2 141 ? -3.985 -30.675 48.496 1.00 35.36 ? 141 TYR B CD1 1 ATOM 3660 C CD2 . TYR B 2 141 ? -2.341 -31.283 46.860 1.00 34.75 ? 141 TYR B CD2 1 ATOM 3661 C CE1 . TYR B 2 141 ? -4.687 -31.845 48.237 1.00 35.99 ? 141 TYR B CE1 1 ATOM 3662 C CE2 . TYR B 2 141 ? -3.027 -32.457 46.591 1.00 34.70 ? 141 TYR B CE2 1 ATOM 3663 C CZ . TYR B 2 141 ? -4.195 -32.730 47.268 1.00 35.30 ? 141 TYR B CZ 1 ATOM 3664 O OH . TYR B 2 141 ? -4.860 -33.898 47.006 1.00 36.26 ? 141 TYR B OH 1 ATOM 3665 N N . HIS B 2 142 ? -1.856 -25.584 47.944 1.00 34.77 ? 142 HIS B N 1 ATOM 3666 C CA . HIS B 2 142 ? -1.320 -24.380 48.569 1.00 34.98 ? 142 HIS B CA 1 ATOM 3667 C C . HIS B 2 142 ? -1.892 -23.146 47.864 1.00 35.51 ? 142 HIS B C 1 ATOM 3668 O O . HIS B 2 142 ? -2.517 -23.264 46.800 1.00 35.23 ? 142 HIS B O 1 ATOM 3669 C CB . HIS B 2 142 ? 0.211 -24.393 48.485 1.00 34.71 ? 142 HIS B CB 1 ATOM 3670 C CG . HIS B 2 142 ? 0.747 -24.320 47.086 1.00 33.50 ? 142 HIS B CG 1 ATOM 3671 N ND1 . HIS B 2 142 ? 0.836 -23.136 46.386 1.00 32.64 ? 142 HIS B ND1 1 ATOM 3672 C CD2 . HIS B 2 142 ? 1.231 -25.280 46.261 1.00 33.39 ? 142 HIS B CD2 1 ATOM 3673 C CE1 . HIS B 2 142 ? 1.355 -23.368 45.190 1.00 31.92 ? 142 HIS B CE1 1 ATOM 3674 N NE2 . HIS B 2 142 ? 1.607 -24.662 45.091 1.00 32.34 ? 142 HIS B NE2 1 ATOM 3675 N N . LYS B 2 143 ? -1.680 -21.971 48.450 1.00 35.70 ? 143 LYS B N 1 ATOM 3676 C CA . LYS B 2 143 ? -2.037 -20.720 47.787 1.00 36.42 ? 143 LYS B CA 1 ATOM 3677 C C . LYS B 2 143 ? -0.994 -20.366 46.727 1.00 36.75 ? 143 LYS B C 1 ATOM 3678 O O . LYS B 2 143 ? 0.211 -20.392 46.986 1.00 36.85 ? 143 LYS B O 1 ATOM 3679 C CB . LYS B 2 143 ? -2.253 -19.588 48.801 1.00 36.72 ? 143 LYS B CB 1 ATOM 3680 C CG . LYS B 2 143 ? -3.330 -19.945 49.808 1.00 37.38 ? 143 LYS B CG 1 ATOM 3681 C CD . LYS B 2 143 ? -3.817 -18.718 50.629 1.00 39.49 ? 143 LYS B CD 1 ATOM 3682 C CE . LYS B 2 143 ? -5.361 -18.629 50.565 1.00 41.43 ? 143 LYS B CE 1 ATOM 3683 N NZ . LYS B 2 143 ? -5.847 -18.741 49.118 1.00 39.67 ? 143 LYS B NZ 1 ATOM 3684 N N . CYS B 2 144 ? -1.472 -20.070 45.521 1.00 37.04 ? 144 CYS B N 1 ATOM 3685 C CA . CYS B 2 144 ? -0.592 -19.831 44.381 1.00 37.57 ? 144 CYS B CA 1 ATOM 3686 C C . CYS B 2 144 ? -0.948 -18.494 43.747 1.00 37.93 ? 144 CYS B C 1 ATOM 3687 O O . CYS B 2 144 ? -1.826 -18.417 42.883 1.00 37.73 ? 144 CYS B O 1 ATOM 3688 C CB . CYS B 2 144 ? -0.708 -20.993 43.374 1.00 37.36 ? 144 CYS B CB 1 ATOM 3689 S SG . CYS B 2 144 ? 0.370 -20.956 41.887 1.00 37.63 ? 144 CYS B SG 1 ATOM 3690 N N . ASP B 2 145 ? -0.270 -17.441 44.197 1.00 38.48 ? 145 ASP B N 1 ATOM 3691 C CA . ASP B 2 145 ? -0.512 -16.076 43.703 1.00 39.04 ? 145 ASP B CA 1 ATOM 3692 C C . ASP B 2 145 ? -0.079 -15.891 42.237 1.00 39.43 ? 145 ASP B C 1 ATOM 3693 O O . ASP B 2 145 ? 0.399 -16.838 41.619 1.00 39.32 ? 145 ASP B O 1 ATOM 3694 C CB . ASP B 2 145 ? 0.149 -15.041 44.629 1.00 39.08 ? 145 ASP B CB 1 ATOM 3695 C CG . ASP B 2 145 ? 1.674 -15.118 44.629 1.00 38.96 ? 145 ASP B CG 1 ATOM 3696 O OD1 . ASP B 2 145 ? 2.280 -15.706 43.711 1.00 37.62 ? 145 ASP B OD1 1 ATOM 3697 O OD2 . ASP B 2 145 ? 2.276 -14.561 45.563 1.00 37.62 ? 145 ASP B OD2 1 ATOM 3698 N N . ASP B 2 146 ? -0.245 -14.683 41.693 1.00 39.87 ? 146 ASP B N 1 ATOM 3699 C CA . ASP B 2 146 ? 0.087 -14.405 40.288 1.00 40.66 ? 146 ASP B CA 1 ATOM 3700 C C . ASP B 2 146 ? 1.533 -14.764 39.937 1.00 40.68 ? 146 ASP B C 1 ATOM 3701 O O . ASP B 2 146 ? 1.795 -15.325 38.875 1.00 40.48 ? 146 ASP B O 1 ATOM 3702 C CB . ASP B 2 146 ? -0.202 -12.941 39.923 1.00 41.03 ? 146 ASP B CB 1 ATOM 3703 C CG . ASP B 2 146 ? -1.682 -12.672 39.646 1.00 42.06 ? 146 ASP B CG 1 ATOM 3704 O OD1 . ASP B 2 146 ? -2.494 -13.639 39.552 1.00 43.05 ? 146 ASP B OD1 1 ATOM 3705 O OD2 . ASP B 2 146 ? -2.034 -11.472 39.516 1.00 43.00 ? 146 ASP B OD2 1 ATOM 3706 N N . GLU B 2 147 ? 2.459 -14.451 40.841 1.00 40.85 ? 147 GLU B N 1 ATOM 3707 C CA . GLU B 2 147 ? 3.879 -14.766 40.652 1.00 41.09 ? 147 GLU B CA 1 ATOM 3708 C C . GLU B 2 147 ? 4.084 -16.271 40.532 1.00 40.82 ? 147 GLU B C 1 ATOM 3709 O O . GLU B 2 147 ? 4.843 -16.733 39.672 1.00 40.71 ? 147 GLU B O 1 ATOM 3710 C CB . GLU B 2 147 ? 4.717 -14.237 41.823 1.00 41.31 ? 147 GLU B CB 1 ATOM 3711 C CG . GLU B 2 147 ? 4.251 -12.907 42.412 1.00 43.04 ? 147 GLU B CG 1 ATOM 3712 C CD . GLU B 2 147 ? 4.593 -11.704 41.545 1.00 45.06 ? 147 GLU B CD 1 ATOM 3713 O OE1 . GLU B 2 147 ? 5.079 -11.882 40.407 1.00 45.85 ? 147 GLU B OE1 1 ATOM 3714 O OE2 . GLU B 2 147 ? 4.372 -10.565 42.014 1.00 46.43 ? 147 GLU B OE2 1 ATOM 3715 N N . CYS B 2 148 ? 3.408 -17.014 41.415 1.00 40.56 ? 148 CYS B N 1 ATOM 3716 C CA . CYS B 2 148 ? 3.399 -18.476 41.398 1.00 39.94 ? 148 CYS B CA 1 ATOM 3717 C C . CYS B 2 148 ? 2.797 -18.994 40.089 1.00 39.43 ? 148 CYS B C 1 ATOM 3718 O O . CYS B 2 148 ? 3.384 -19.863 39.452 1.00 39.70 ? 148 CYS B O 1 ATOM 3719 C CB . CYS B 2 148 ? 2.630 -19.022 42.608 1.00 39.54 ? 148 CYS B CB 1 ATOM 3720 S SG . CYS B 2 148 ? 2.280 -20.825 42.622 1.00 40.93 ? 148 CYS B SG 1 ATOM 3721 N N . MET B 2 149 ? 1.646 -18.451 39.686 1.00 38.72 ? 149 MET B N 1 ATOM 3722 C CA . MET B 2 149 ? 1.004 -18.855 38.423 1.00 38.32 ? 149 MET B CA 1 ATOM 3723 C C . MET B 2 149 ? 1.927 -18.612 37.232 1.00 38.01 ? 149 MET B C 1 ATOM 3724 O O . MET B 2 149 ? 2.073 -19.468 36.363 1.00 37.93 ? 149 MET B O 1 ATOM 3725 C CB . MET B 2 149 ? -0.342 -18.147 38.219 1.00 37.98 ? 149 MET B CB 1 ATOM 3726 C CG . MET B 2 149 ? -1.438 -18.541 39.216 1.00 38.23 ? 149 MET B CG 1 ATOM 3727 S SD . MET B 2 149 ? -1.924 -20.282 39.110 1.00 37.00 ? 149 MET B SD 1 ATOM 3728 C CE . MET B 2 149 ? -3.330 -20.335 40.231 1.00 36.95 ? 149 MET B CE 1 ATOM 3729 N N . ASN B 2 150 ? 2.564 -17.445 37.209 1.00 37.73 ? 150 ASN B N 1 ATOM 3730 C CA . ASN B 2 150 ? 3.526 -17.112 36.163 1.00 37.44 ? 150 ASN B CA 1 ATOM 3731 C C . ASN B 2 150 ? 4.694 -18.096 36.056 1.00 37.24 ? 150 ASN B C 1 ATOM 3732 O O . ASN B 2 150 ? 5.126 -18.413 34.952 1.00 37.12 ? 150 ASN B O 1 ATOM 3733 C CB . ASN B 2 150 ? 4.037 -15.674 36.332 1.00 37.50 ? 150 ASN B CB 1 ATOM 3734 C CG . ASN B 2 150 ? 2.975 -14.628 35.995 1.00 37.70 ? 150 ASN B CG 1 ATOM 3735 O OD1 . ASN B 2 150 ? 2.165 -14.807 35.074 1.00 36.29 ? 150 ASN B OD1 1 ATOM 3736 N ND2 . ASN B 2 150 ? 2.983 -13.522 36.741 1.00 37.65 ? 150 ASN B ND2 1 ATOM 3737 N N . SER B 2 151 ? 5.192 -18.580 37.197 1.00 37.38 ? 151 SER B N 1 ATOM 3738 C CA . SER B 2 151 ? 6.283 -19.568 37.207 1.00 37.18 ? 151 SER B CA 1 ATOM 3739 C C . SER B 2 151 ? 5.888 -20.899 36.566 1.00 36.95 ? 151 SER B C 1 ATOM 3740 O O . SER B 2 151 ? 6.704 -21.539 35.909 1.00 36.96 ? 151 SER B O 1 ATOM 3741 C CB . SER B 2 151 ? 6.814 -19.806 38.624 1.00 37.04 ? 151 SER B CB 1 ATOM 3742 O OG . SER B 2 151 ? 5.872 -20.490 39.429 1.00 36.95 ? 151 SER B OG 1 ATOM 3743 N N . VAL B 2 152 ? 4.641 -21.309 36.771 1.00 37.22 ? 152 VAL B N 1 ATOM 3744 C CA . VAL B 2 152 ? 4.115 -22.534 36.166 1.00 37.59 ? 152 VAL B CA 1 ATOM 3745 C C . VAL B 2 152 ? 4.064 -22.347 34.645 1.00 38.07 ? 152 VAL B C 1 ATOM 3746 O O . VAL B 2 152 ? 4.521 -23.209 33.886 1.00 37.87 ? 152 VAL B O 1 ATOM 3747 C CB . VAL B 2 152 ? 2.709 -22.900 36.722 1.00 37.51 ? 152 VAL B CB 1 ATOM 3748 C CG1 . VAL B 2 152 ? 2.182 -24.185 36.070 1.00 37.51 ? 152 VAL B CG1 1 ATOM 3749 C CG2 . VAL B 2 152 ? 2.737 -23.033 38.248 1.00 37.58 ? 152 VAL B CG2 1 ATOM 3750 N N . LYS B 2 153 ? 3.552 -21.191 34.214 1.00 38.81 ? 153 LYS B N 1 ATOM 3751 C CA . LYS B 2 153 ? 3.366 -20.890 32.788 1.00 39.78 ? 153 LYS B CA 1 ATOM 3752 C C . LYS B 2 153 ? 4.666 -20.804 31.981 1.00 40.70 ? 153 LYS B C 1 ATOM 3753 O O . LYS B 2 153 ? 4.663 -21.052 30.775 1.00 40.75 ? 153 LYS B O 1 ATOM 3754 C CB . LYS B 2 153 ? 2.584 -19.592 32.605 1.00 39.43 ? 153 LYS B CB 1 ATOM 3755 C CG . LYS B 2 153 ? 1.168 -19.600 33.132 1.00 38.92 ? 153 LYS B CG 1 ATOM 3756 C CD . LYS B 2 153 ? 0.536 -18.254 32.814 1.00 39.48 ? 153 LYS B CD 1 ATOM 3757 C CE . LYS B 2 153 ? -0.576 -17.897 33.774 1.00 38.67 ? 153 LYS B CE 1 ATOM 3758 N NZ . LYS B 2 153 ? -1.166 -16.574 33.406 1.00 37.86 ? 153 LYS B NZ 1 ATOM 3759 N N . ASN B 2 154 ? 5.762 -20.426 32.637 1.00 41.81 ? 154 ASN B N 1 ATOM 3760 C CA . ASN B 2 154 ? 7.070 -20.380 31.972 1.00 42.77 ? 154 ASN B CA 1 ATOM 3761 C C . ASN B 2 154 ? 8.017 -21.465 32.491 1.00 43.02 ? 154 ASN B C 1 ATOM 3762 O O . ASN B 2 154 ? 9.241 -21.343 32.384 1.00 43.56 ? 154 ASN B O 1 ATOM 3763 C CB . ASN B 2 154 ? 7.706 -18.976 32.054 1.00 42.79 ? 154 ASN B CB 1 ATOM 3764 C CG . ASN B 2 154 ? 8.040 -18.554 33.477 1.00 43.66 ? 154 ASN B CG 1 ATOM 3765 O OD1 . ASN B 2 154 ? 7.736 -19.254 34.439 1.00 44.51 ? 154 ASN B OD1 1 ATOM 3766 N ND2 . ASN B 2 154 ? 8.669 -17.390 33.613 1.00 44.25 ? 154 ASN B ND2 1 ATOM 3767 N N . GLY B 2 155 ? 7.428 -22.518 33.058 1.00 42.86 ? 155 GLY B N 1 ATOM 3768 C CA . GLY B 2 155 ? 8.161 -23.716 33.445 1.00 42.65 ? 155 GLY B CA 1 ATOM 3769 C C . GLY B 2 155 ? 9.244 -23.532 34.493 1.00 42.27 ? 155 GLY B C 1 ATOM 3770 O O . GLY B 2 155 ? 10.302 -24.144 34.386 1.00 42.70 ? 155 GLY B O 1 ATOM 3771 N N . THR B 2 156 ? 8.983 -22.698 35.503 1.00 41.71 ? 156 THR B N 1 ATOM 3772 C CA . THR B 2 156 ? 9.928 -22.484 36.612 1.00 41.13 ? 156 THR B CA 1 ATOM 3773 C C . THR B 2 156 ? 9.270 -22.634 37.990 1.00 40.77 ? 156 THR B C 1 ATOM 3774 O O . THR B 2 156 ? 9.666 -21.972 38.955 1.00 40.78 ? 156 THR B O 1 ATOM 3775 C CB . THR B 2 156 ? 10.608 -21.087 36.546 1.00 41.28 ? 156 THR B CB 1 ATOM 3776 O OG1 . THR B 2 156 ? 9.625 -20.061 36.740 1.00 41.33 ? 156 THR B OG1 1 ATOM 3777 C CG2 . THR B 2 156 ? 11.328 -20.872 35.218 1.00 40.54 ? 156 THR B CG2 1 ATOM 3778 N N . TYR B 2 157 ? 8.273 -23.509 38.089 1.00 40.21 ? 157 TYR B N 1 ATOM 3779 C CA . TYR B 2 157 ? 7.579 -23.722 39.355 1.00 39.53 ? 157 TYR B CA 1 ATOM 3780 C C . TYR B 2 157 ? 8.494 -24.359 40.401 1.00 39.86 ? 157 TYR B C 1 ATOM 3781 O O . TYR B 2 157 ? 9.238 -25.303 40.110 1.00 39.92 ? 157 TYR B O 1 ATOM 3782 C CB . TYR B 2 157 ? 6.320 -24.553 39.146 1.00 38.66 ? 157 TYR B CB 1 ATOM 3783 C CG . TYR B 2 157 ? 5.597 -24.981 40.407 1.00 37.57 ? 157 TYR B CG 1 ATOM 3784 C CD1 . TYR B 2 157 ? 4.746 -24.109 41.083 1.00 35.79 ? 157 TYR B CD1 1 ATOM 3785 C CD2 . TYR B 2 157 ? 5.732 -26.280 40.894 1.00 36.82 ? 157 TYR B CD2 1 ATOM 3786 C CE1 . TYR B 2 157 ? 4.064 -24.519 42.224 1.00 35.92 ? 157 TYR B CE1 1 ATOM 3787 C CE2 . TYR B 2 157 ? 5.063 -26.698 42.023 1.00 36.96 ? 157 TYR B CE2 1 ATOM 3788 C CZ . TYR B 2 157 ? 4.237 -25.818 42.688 1.00 36.51 ? 157 TYR B CZ 1 ATOM 3789 O OH . TYR B 2 157 ? 3.572 -26.251 43.794 1.00 36.52 ? 157 TYR B OH 1 ATOM 3790 N N . ASP B 2 158 ? 8.435 -23.809 41.610 1.00 40.06 ? 158 ASP B N 1 ATOM 3791 C CA . ASP B 2 158 ? 9.238 -24.273 42.734 1.00 40.31 ? 158 ASP B CA 1 ATOM 3792 C C . ASP B 2 158 ? 8.508 -25.311 43.561 1.00 40.43 ? 158 ASP B C 1 ATOM 3793 O O . ASP B 2 158 ? 7.873 -24.980 44.580 1.00 40.37 ? 158 ASP B O 1 ATOM 3794 C CB . ASP B 2 158 ? 9.624 -23.092 43.608 1.00 40.56 ? 158 ASP B CB 1 ATOM 3795 C CG . ASP B 2 158 ? 11.104 -22.807 43.580 1.00 42.04 ? 158 ASP B CG 1 ATOM 3796 O OD1 . ASP B 2 158 ? 11.623 -22.347 44.620 1.00 42.21 ? 158 ASP B OD1 1 ATOM 3797 O OD2 . ASP B 2 158 ? 11.744 -23.051 42.526 1.00 44.13 ? 158 ASP B OD2 1 ATOM 3798 N N . TYR B 2 159 ? 8.598 -26.565 43.117 1.00 40.79 ? 159 TYR B N 1 ATOM 3799 C CA . TYR B 2 159 ? 8.014 -27.697 43.845 1.00 41.08 ? 159 TYR B CA 1 ATOM 3800 C C . TYR B 2 159 ? 8.437 -27.698 45.325 1.00 41.29 ? 159 TYR B C 1 ATOM 3801 O O . TYR B 2 159 ? 7.572 -27.668 46.205 1.00 40.96 ? 159 TYR B O 1 ATOM 3802 C CB . TYR B 2 159 ? 8.320 -29.054 43.157 1.00 41.48 ? 159 TYR B CB 1 ATOM 3803 C CG . TYR B 2 159 ? 7.793 -30.231 43.951 1.00 41.58 ? 159 TYR B CG 1 ATOM 3804 C CD1 . TYR B 2 159 ? 6.434 -30.555 43.939 1.00 41.53 ? 159 TYR B CD1 1 ATOM 3805 C CD2 . TYR B 2 159 ? 8.642 -30.996 44.749 1.00 42.51 ? 159 TYR B CD2 1 ATOM 3806 C CE1 . TYR B 2 159 ? 5.937 -31.617 44.691 1.00 41.75 ? 159 TYR B CE1 1 ATOM 3807 C CE2 . TYR B 2 159 ? 8.154 -32.063 45.507 1.00 42.28 ? 159 TYR B CE2 1 ATOM 3808 C CZ . TYR B 2 159 ? 6.805 -32.365 45.474 1.00 42.44 ? 159 TYR B CZ 1 ATOM 3809 O OH . TYR B 2 159 ? 6.324 -33.416 46.220 1.00 41.90 ? 159 TYR B OH 1 ATOM 3810 N N . PRO B 2 160 ? 9.759 -27.692 45.602 1.00 41.50 ? 160 PRO B N 1 ATOM 3811 C CA . PRO B 2 160 ? 10.222 -27.695 47.001 1.00 41.85 ? 160 PRO B CA 1 ATOM 3812 C C . PRO B 2 160 ? 9.659 -26.546 47.837 1.00 42.39 ? 160 PRO B C 1 ATOM 3813 O O . PRO B 2 160 ? 9.355 -26.743 49.022 1.00 42.37 ? 160 PRO B O 1 ATOM 3814 C CB . PRO B 2 160 ? 11.738 -27.537 46.867 1.00 41.83 ? 160 PRO B CB 1 ATOM 3815 C CG . PRO B 2 160 ? 12.052 -28.074 45.518 1.00 41.44 ? 160 PRO B CG 1 ATOM 3816 C CD . PRO B 2 160 ? 10.894 -27.684 44.661 1.00 41.42 ? 160 PRO B CD 1 ATOM 3817 N N . LYS B 2 161 ? 9.522 -25.366 47.223 1.00 42.49 ? 161 LYS B N 1 ATOM 3818 C CA . LYS B 2 161 ? 9.056 -24.154 47.915 1.00 42.70 ? 161 LYS B CA 1 ATOM 3819 C C . LYS B 2 161 ? 7.693 -24.366 48.577 1.00 42.83 ? 161 LYS B C 1 ATOM 3820 O O . LYS B 2 161 ? 7.473 -23.955 49.726 1.00 42.34 ? 161 LYS B O 1 ATOM 3821 C CB . LYS B 2 161 ? 9.006 -22.995 46.918 1.00 42.89 ? 161 LYS B CB 1 ATOM 3822 C CG . LYS B 2 161 ? 8.619 -21.628 47.457 1.00 43.21 ? 161 LYS B CG 1 ATOM 3823 C CD . LYS B 2 161 ? 8.852 -20.583 46.358 1.00 43.30 ? 161 LYS B CD 1 ATOM 3824 C CE . LYS B 2 161 ? 8.764 -19.149 46.861 1.00 45.63 ? 161 LYS B CE 1 ATOM 3825 N NZ . LYS B 2 161 ? 7.382 -18.763 47.297 1.00 46.12 ? 161 LYS B NZ 1 ATOM 3826 N N . TYR B 2 162 ? 6.792 -25.033 47.855 1.00 42.96 ? 162 TYR B N 1 ATOM 3827 C CA . TYR B 2 162 ? 5.423 -25.244 48.326 1.00 43.06 ? 162 TYR B CA 1 ATOM 3828 C C . TYR B 2 162 ? 5.186 -26.647 48.887 1.00 42.85 ? 162 TYR B C 1 ATOM 3829 O O . TYR B 2 162 ? 4.109 -26.926 49.421 1.00 42.96 ? 162 TYR B O 1 ATOM 3830 C CB . TYR B 2 162 ? 4.421 -24.928 47.205 1.00 43.31 ? 162 TYR B CB 1 ATOM 3831 C CG . TYR B 2 162 ? 4.508 -23.508 46.688 1.00 43.65 ? 162 TYR B CG 1 ATOM 3832 C CD1 . TYR B 2 162 ? 3.908 -22.454 47.380 1.00 44.51 ? 162 TYR B CD1 1 ATOM 3833 C CD2 . TYR B 2 162 ? 5.194 -23.218 45.503 1.00 44.38 ? 162 TYR B CD2 1 ATOM 3834 C CE1 . TYR B 2 162 ? 3.986 -21.145 46.908 1.00 44.68 ? 162 TYR B CE1 1 ATOM 3835 C CE2 . TYR B 2 162 ? 5.278 -21.918 45.019 1.00 44.52 ? 162 TYR B CE2 1 ATOM 3836 C CZ . TYR B 2 162 ? 4.675 -20.884 45.728 1.00 44.71 ? 162 TYR B CZ 1 ATOM 3837 O OH . TYR B 2 162 ? 4.754 -19.594 45.250 1.00 44.31 ? 162 TYR B OH 1 ATOM 3838 N N . GLU B 2 163 ? 6.199 -27.507 48.778 1.00 42.66 ? 163 GLU B N 1 ATOM 3839 C CA . GLU B 2 163 ? 6.113 -28.916 49.187 1.00 43.05 ? 163 GLU B CA 1 ATOM 3840 C C . GLU B 2 163 ? 5.507 -29.147 50.582 1.00 43.07 ? 163 GLU B C 1 ATOM 3841 O O . GLU B 2 163 ? 4.576 -29.950 50.738 1.00 42.85 ? 163 GLU B O 1 ATOM 3842 C CB . GLU B 2 163 ? 7.494 -29.576 49.078 1.00 42.96 ? 163 GLU B CB 1 ATOM 3843 C CG . GLU B 2 163 ? 7.572 -31.026 49.567 1.00 43.17 ? 163 GLU B CG 1 ATOM 3844 C CD . GLU B 2 163 ? 8.817 -31.753 49.068 1.00 43.88 ? 163 GLU B CD 1 ATOM 3845 O OE1 . GLU B 2 163 ? 9.831 -31.082 48.768 1.00 45.08 ? 163 GLU B OE1 1 ATOM 3846 O OE2 . GLU B 2 163 ? 8.786 -33.000 48.966 1.00 45.09 ? 163 GLU B OE2 1 ATOM 3847 N N . GLU B 2 164 ? 6.031 -28.428 51.576 1.00 43.09 ? 164 GLU B N 1 ATOM 3848 C CA . GLU B 2 164 ? 5.623 -28.591 52.970 1.00 43.22 ? 164 GLU B CA 1 ATOM 3849 C C . GLU B 2 164 ? 4.180 -28.148 53.225 1.00 43.02 ? 164 GLU B C 1 ATOM 3850 O O . GLU B 2 164 ? 3.419 -28.858 53.897 1.00 43.18 ? 164 GLU B O 1 ATOM 3851 C CB . GLU B 2 164 ? 6.602 -27.866 53.910 1.00 43.37 ? 164 GLU B CB 1 ATOM 3852 C CG . GLU B 2 164 ? 7.934 -28.615 54.153 1.00 44.64 ? 164 GLU B CG 1 ATOM 3853 C CD . GLU B 2 164 ? 8.950 -28.508 53.006 1.00 45.92 ? 164 GLU B CD 1 ATOM 3854 O OE1 . GLU B 2 164 ? 10.152 -28.750 53.268 1.00 46.91 ? 164 GLU B OE1 1 ATOM 3855 O OE2 . GLU B 2 164 ? 8.570 -28.189 51.852 1.00 46.52 ? 164 GLU B OE2 1 ATOM 3856 N N . GLU B 2 165 ? 3.812 -26.987 52.682 1.00 42.62 ? 165 GLU B N 1 ATOM 3857 C CA . GLU B 2 165 ? 2.448 -26.470 52.784 1.00 42.60 ? 165 GLU B CA 1 ATOM 3858 C C . GLU B 2 165 ? 1.449 -27.417 52.117 1.00 42.65 ? 165 GLU B C 1 ATOM 3859 O O . GLU B 2 165 ? 0.329 -27.627 52.621 1.00 42.37 ? 165 GLU B O 1 ATOM 3860 C CB . GLU B 2 165 ? 2.373 -25.090 52.136 1.00 42.55 ? 165 GLU B CB 1 ATOM 3861 C CG . GLU B 2 165 ? 1.041 -24.366 52.295 1.00 42.78 ? 165 GLU B CG 1 ATOM 3862 C CD . GLU B 2 165 ? 0.974 -23.115 51.411 1.00 42.92 ? 165 GLU B CD 1 ATOM 3863 O OE1 . GLU B 2 165 ? 2.025 -22.691 50.844 1.00 42.29 ? 165 GLU B OE1 1 ATOM 3864 O OE2 . GLU B 2 165 ? -0.138 -22.558 51.275 1.00 43.76 ? 165 GLU B OE2 1 ATOM 3865 N N . SER B 2 166 ? 1.869 -27.983 50.986 1.00 42.44 ? 166 SER B N 1 ATOM 3866 C CA . SER B 2 166 ? 1.043 -28.899 50.213 1.00 42.64 ? 166 SER B CA 1 ATOM 3867 C C . SER B 2 166 ? 0.871 -30.243 50.905 1.00 42.84 ? 166 SER B C 1 ATOM 3868 O O . SER B 2 166 ? -0.254 -30.712 51.048 1.00 42.89 ? 166 SER B O 1 ATOM 3869 C CB . SER B 2 166 ? 1.611 -29.087 48.807 1.00 42.29 ? 166 SER B CB 1 ATOM 3870 O OG . SER B 2 166 ? 1.535 -27.882 48.070 1.00 42.02 ? 166 SER B OG 1 ATOM 3871 N N . LYS B 2 167 ? 1.974 -30.853 51.337 1.00 43.43 ? 167 LYS B N 1 ATOM 3872 C CA . LYS B 2 167 ? 1.910 -32.122 52.082 1.00 44.45 ? 167 LYS B CA 1 ATOM 3873 C C . LYS B 2 167 ? 1.041 -32.030 53.341 1.00 44.81 ? 167 LYS B C 1 ATOM 3874 O O . LYS B 2 167 ? 0.304 -32.958 53.656 1.00 44.60 ? 167 LYS B O 1 ATOM 3875 C CB . LYS B 2 167 ? 3.309 -32.669 52.425 1.00 44.37 ? 167 LYS B CB 1 ATOM 3876 C CG . LYS B 2 167 ? 4.114 -31.833 53.402 1.00 45.19 ? 167 LYS B CG 1 ATOM 3877 C CD . LYS B 2 167 ? 5.227 -32.651 54.062 1.00 46.35 ? 167 LYS B CD 1 ATOM 3878 C CE . LYS B 2 167 ? 6.222 -31.767 54.853 1.00 45.89 ? 167 LYS B CE 1 ATOM 3879 N NZ . LYS B 2 167 ? 5.607 -30.913 55.924 1.00 45.20 ? 167 LYS B NZ 1 ATOM 3880 N N . LEU B 2 168 ? 1.118 -30.900 54.040 1.00 45.87 ? 168 LEU B N 1 ATOM 3881 C CA . LEU B 2 168 ? 0.288 -30.666 55.224 1.00 46.72 ? 168 LEU B CA 1 ATOM 3882 C C . LEU B 2 168 ? -1.195 -30.570 54.867 1.00 47.24 ? 168 LEU B C 1 ATOM 3883 O O . LEU B 2 168 ? -2.035 -31.202 55.516 1.00 47.25 ? 168 LEU B O 1 ATOM 3884 C CB . LEU B 2 168 ? 0.749 -29.416 55.989 1.00 46.80 ? 168 LEU B CB 1 ATOM 3885 C CG . LEU B 2 168 ? 2.032 -29.567 56.825 1.00 47.33 ? 168 LEU B CG 1 ATOM 3886 C CD1 . LEU B 2 168 ? 2.489 -28.220 57.389 1.00 47.63 ? 168 LEU B CD1 1 ATOM 3887 C CD2 . LEU B 2 168 ? 1.866 -30.599 57.954 1.00 47.66 ? 168 LEU B CD2 1 ATOM 3888 N N . ASN B 2 169 ? -1.504 -29.791 53.832 1.00 47.71 ? 169 ASN B N 1 ATOM 3889 C CA . ASN B 2 169 ? -2.877 -29.657 53.348 1.00 48.24 ? 169 ASN B CA 1 ATOM 3890 C C . ASN B 2 169 ? -3.415 -30.961 52.779 1.00 48.55 ? 169 ASN B C 1 ATOM 3891 O O . ASN B 2 169 ? -4.553 -31.348 53.065 1.00 48.56 ? 169 ASN B O 1 ATOM 3892 C CB . ASN B 2 169 ? -2.980 -28.541 52.305 1.00 48.26 ? 169 ASN B CB 1 ATOM 3893 C CG . ASN B 2 169 ? -2.949 -27.159 52.926 1.00 48.72 ? 169 ASN B CG 1 ATOM 3894 O OD1 . ASN B 2 169 ? -3.716 -26.861 53.848 1.00 49.71 ? 169 ASN B OD1 1 ATOM 3895 N ND2 . ASN B 2 169 ? -2.055 -26.307 52.430 1.00 47.78 ? 169 ASN B ND2 1 ATOM 3896 N N . ARG B 2 170 ? -2.578 -31.634 51.988 1.00 48.95 ? 170 ARG B N 1 ATOM 3897 C CA . ARG B 2 170 ? -2.937 -32.883 51.322 1.00 49.20 ? 170 ARG B CA 1 ATOM 3898 C C . ARG B 2 170 ? -3.188 -34.006 52.315 1.00 50.12 ? 170 ARG B C 1 ATOM 3899 O O . ARG B 2 170 ? -4.019 -34.882 52.061 1.00 50.67 ? 170 ARG B O 1 ATOM 3900 C CB . ARG B 2 170 ? -1.829 -33.292 50.340 1.00 49.12 ? 170 ARG B CB 1 ATOM 3901 C CG . ARG B 2 170 ? -2.179 -34.447 49.407 1.00 48.50 ? 170 ARG B CG 1 ATOM 3902 C CD . ARG B 2 170 ? -1.029 -34.761 48.461 1.00 47.76 ? 170 ARG B CD 1 ATOM 3903 N NE . ARG B 2 170 ? 0.159 -35.224 49.174 1.00 45.59 ? 170 ARG B NE 1 ATOM 3904 C CZ . ARG B 2 170 ? 1.311 -34.560 49.247 1.00 44.46 ? 170 ARG B CZ 1 ATOM 3905 N NH1 . ARG B 2 170 ? 1.470 -33.391 48.633 1.00 43.25 ? 170 ARG B NH1 1 ATOM 3906 N NH2 . ARG B 2 170 ? 2.316 -35.081 49.932 1.00 44.62 ? 170 ARG B NH2 1 ATOM 3907 N N . ASN B 2 171 ? -2.470 -33.975 53.437 1.00 50.86 ? 171 ASN B N 1 ATOM 3908 C CA . ASN B 2 171 ? -2.539 -35.033 54.450 1.00 51.62 ? 171 ASN B CA 1 ATOM 3909 C C . ASN B 2 171 ? -3.525 -34.774 55.590 1.00 51.90 ? 171 ASN B C 1 ATOM 3910 O O . ASN B 2 171 ? -3.258 -35.126 56.738 1.00 52.06 ? 171 ASN B O 1 ATOM 3911 C CB . ASN B 2 171 ? -1.144 -35.333 55.015 1.00 51.70 ? 171 ASN B CB 1 ATOM 3912 C CG . ASN B 2 171 ? -0.235 -36.022 54.004 1.00 52.06 ? 171 ASN B CG 1 ATOM 3913 O OD1 . ASN B 2 171 ? -0.574 -36.159 52.826 1.00 52.87 ? 171 ASN B OD1 1 ATOM 3914 N ND2 . ASN B 2 171 ? 0.930 -36.456 54.466 1.00 53.28 ? 171 ASN B ND2 1 ATOM 3915 N N . GLU B 2 172 ? -4.662 -34.163 55.266 1.00 52.37 ? 172 GLU B N 1 ATOM 3916 C CA . GLU B 2 172 ? -5.738 -33.953 56.243 1.00 52.91 ? 172 GLU B CA 1 ATOM 3917 C C . GLU B 2 172 ? -7.118 -33.858 55.582 1.00 53.07 ? 172 GLU B C 1 ATOM 3918 O O . GLU B 2 172 ? -7.247 -33.953 54.357 1.00 53.33 ? 172 GLU B O 1 ATOM 3919 C CB . GLU B 2 172 ? -5.464 -32.717 57.109 1.00 52.77 ? 172 GLU B CB 1 ATOM 3920 C CG . GLU B 2 172 ? -5.416 -31.397 56.353 1.00 53.03 ? 172 GLU B CG 1 ATOM 3921 C CD . GLU B 2 172 ? -4.645 -30.307 57.096 1.00 53.57 ? 172 GLU B CD 1 ATOM 3922 O OE1 . GLU B 2 172 ? -4.335 -30.484 58.301 1.00 53.91 ? 172 GLU B OE1 1 ATOM 3923 O OE2 . GLU B 2 172 ? -4.349 -29.264 56.465 1.00 53.76 ? 172 GLU B OE2 1 HETATM 3924 C C1 . NAG C 3 . ? 20.952 -18.494 -51.195 1.00 28.54 ? 330 NAG A C1 1 HETATM 3925 C C2 . NAG C 3 . ? 22.102 -19.089 -52.029 1.00 31.81 ? 330 NAG A C2 1 HETATM 3926 C C3 . NAG C 3 . ? 23.357 -19.296 -51.173 1.00 35.93 ? 330 NAG A C3 1 HETATM 3927 C C4 . NAG C 3 . ? 23.663 -17.905 -50.599 1.00 38.29 ? 330 NAG A C4 1 HETATM 3928 C C5 . NAG C 3 . ? 22.503 -17.372 -49.745 1.00 34.15 ? 330 NAG A C5 1 HETATM 3929 C C6 . NAG C 3 . ? 22.820 -15.979 -49.190 1.00 33.27 ? 330 NAG A C6 1 HETATM 3930 C C7 . NAG C 3 . ? 21.942 -20.601 -53.972 1.00 30.04 ? 330 NAG A C7 1 HETATM 3931 C C8 . NAG C 3 . ? 21.295 -21.843 -54.517 1.00 29.15 ? 330 NAG A C8 1 HETATM 3932 N N2 . NAG C 3 . ? 21.728 -20.328 -52.683 1.00 29.28 ? 330 NAG A N2 1 HETATM 3933 O O3 . NAG C 3 . ? 24.419 -19.733 -52.010 1.00 35.85 ? 330 NAG A O3 1 HETATM 3934 O O4 . NAG C 3 . ? 24.954 -17.645 -50.053 1.00 48.85 ? 330 NAG A O4 1 HETATM 3935 O O5 . NAG C 3 . ? 21.384 -17.269 -50.614 1.00 29.45 ? 330 NAG A O5 1 HETATM 3936 O O6 . NAG C 3 . ? 23.148 -15.140 -50.280 1.00 32.44 ? 330 NAG A O6 1 HETATM 3937 O O7 . NAG C 3 . ? 22.651 -19.904 -54.718 1.00 31.78 ? 330 NAG A O7 1 HETATM 3938 C C1 . NAG D 3 . ? 25.677 -18.509 -49.141 1.00 55.75 ? 331 NAG A C1 1 HETATM 3939 C C2 . NAG D 3 . ? 26.575 -17.509 -48.374 1.00 58.19 ? 331 NAG A C2 1 HETATM 3940 C C3 . NAG D 3 . ? 26.054 -17.071 -46.990 1.00 58.70 ? 331 NAG A C3 1 HETATM 3941 C C4 . NAG D 3 . ? 24.922 -17.961 -46.498 1.00 58.39 ? 331 NAG A C4 1 HETATM 3942 C C5 . NAG D 3 . ? 25.232 -19.384 -46.947 1.00 58.44 ? 331 NAG A C5 1 HETATM 3943 C C6 . NAG D 3 . ? 24.444 -20.471 -46.215 1.00 59.67 ? 331 NAG A C6 1 HETATM 3944 C C7 . NAG D 3 . ? 28.948 -17.436 -49.034 1.00 62.02 ? 331 NAG A C7 1 HETATM 3945 C C8 . NAG D 3 . ? 30.310 -18.070 -48.911 1.00 62.50 ? 331 NAG A C8 1 HETATM 3946 N N2 . NAG D 3 . ? 27.961 -17.975 -48.306 1.00 61.09 ? 331 NAG A N2 1 HETATM 3947 O O3 . NAG D 3 . ? 25.611 -15.729 -47.001 1.00 60.50 ? 331 NAG A O3 1 HETATM 3948 O O4 . NAG D 3 . ? 24.792 -17.837 -45.104 1.00 58.56 ? 331 NAG A O4 1 HETATM 3949 O O5 . NAG D 3 . ? 24.926 -19.416 -48.331 1.00 58.51 ? 331 NAG A O5 1 HETATM 3950 O O6 . NAG D 3 . ? 25.058 -20.792 -44.984 1.00 60.24 ? 331 NAG A O6 1 HETATM 3951 O O7 . NAG D 3 . ? 28.788 -16.468 -49.781 1.00 62.84 ? 331 NAG A O7 1 HETATM 3952 C C1 . NAG E 3 . ? -21.930 -29.438 8.162 1.00 56.32 ? 332 NAG A C1 1 HETATM 3953 C C2 . NAG E 3 . ? -23.138 -29.878 7.315 1.00 62.20 ? 332 NAG A C2 1 HETATM 3954 C C3 . NAG E 3 . ? -24.492 -29.240 7.686 1.00 62.79 ? 332 NAG A C3 1 HETATM 3955 C C4 . NAG E 3 . ? -24.609 -28.604 9.084 1.00 62.84 ? 332 NAG A C4 1 HETATM 3956 C C5 . NAG E 3 . ? -23.270 -28.076 9.600 1.00 61.89 ? 332 NAG A C5 1 HETATM 3957 C C6 . NAG E 3 . ? -23.373 -27.580 11.049 1.00 62.46 ? 332 NAG A C6 1 HETATM 3958 C C7 . NAG E 3 . ? -23.342 -30.322 4.892 1.00 66.40 ? 332 NAG A C7 1 HETATM 3959 C C8 . NAG E 3 . ? -24.076 -29.551 3.830 1.00 66.87 ? 332 NAG A C8 1 HETATM 3960 N N2 . NAG E 3 . ? -22.858 -29.602 5.909 1.00 64.33 ? 332 NAG A N2 1 HETATM 3961 O O3 . NAG E 3 . ? -25.486 -30.236 7.549 1.00 63.72 ? 332 NAG A O3 1 HETATM 3962 O O4 . NAG E 3 . ? -25.566 -27.557 9.054 1.00 63.65 ? 332 NAG A O4 1 HETATM 3963 O O5 . NAG E 3 . ? -22.310 -29.113 9.490 1.00 60.01 ? 332 NAG A O5 1 HETATM 3964 O O6 . NAG E 3 . ? -22.250 -27.960 11.821 1.00 62.18 ? 332 NAG A O6 1 HETATM 3965 O O7 . NAG E 3 . ? -23.210 -31.546 4.794 1.00 67.56 ? 332 NAG A O7 1 HETATM 3966 C C1 . EDO F 4 . ? 7.007 -14.707 -60.260 1.00 34.69 ? 1 EDO A C1 1 HETATM 3967 O O1 . EDO F 4 . ? 7.578 -14.032 -59.140 1.00 32.08 ? 1 EDO A O1 1 HETATM 3968 C C2 . EDO F 4 . ? 7.816 -15.960 -60.573 1.00 35.34 ? 1 EDO A C2 1 HETATM 3969 O O2 . EDO F 4 . ? 9.186 -15.692 -60.859 1.00 34.78 ? 1 EDO A O2 1 HETATM 3970 C C1 . PEG G 5 . ? -12.813 -26.615 33.271 1.00 45.31 ? 175 PEG B C1 1 HETATM 3971 O O1 . PEG G 5 . ? -14.133 -26.822 32.756 1.00 44.97 ? 175 PEG B O1 1 HETATM 3972 C C2 . PEG G 5 . ? -11.996 -25.652 32.416 1.00 44.31 ? 175 PEG B C2 1 HETATM 3973 O O2 . PEG G 5 . ? -12.464 -24.322 32.609 1.00 45.84 ? 175 PEG B O2 1 HETATM 3974 C C3 . PEG G 5 . ? -11.411 -23.363 32.719 1.00 45.55 ? 175 PEG B C3 1 HETATM 3975 C C4 . PEG G 5 . ? -11.889 -21.936 32.437 1.00 46.93 ? 175 PEG B C4 1 HETATM 3976 O O4 . PEG G 5 . ? -13.319 -21.787 32.517 1.00 47.44 ? 175 PEG B O4 1 HETATM 3977 O O . HOH H 6 . ? 1.723 -35.690 -35.556 1.00 15.90 ? 2 HOH A O 1 HETATM 3978 O O . HOH H 6 . ? -4.892 -14.667 -59.339 1.00 18.69 ? 3 HOH A O 1 HETATM 3979 O O . HOH H 6 . ? -12.200 -17.588 -36.040 1.00 17.26 ? 4 HOH A O 1 HETATM 3980 O O . HOH H 6 . ? -0.991 -11.517 -42.156 1.00 16.65 ? 5 HOH A O 1 HETATM 3981 O O . HOH H 6 . ? -7.224 -11.347 -46.648 1.00 20.07 ? 6 HOH A O 1 HETATM 3982 O O . HOH H 6 . ? 3.577 -15.516 -57.372 1.00 16.60 ? 7 HOH A O 1 HETATM 3983 O O . HOH H 6 . ? -1.023 -29.159 -52.938 1.00 19.82 ? 8 HOH A O 1 HETATM 3984 O O . HOH H 6 . ? -20.366 -30.405 -60.054 1.00 35.34 ? 124 HOH A O 1 HETATM 3985 O O . HOH H 6 . ? 3.858 -29.828 -44.436 1.00 36.43 ? 333 HOH A O 1 HETATM 3986 O O . HOH H 6 . ? -1.937 -9.638 -33.914 1.00 15.87 ? 334 HOH A O 1 HETATM 3987 O O . HOH H 6 . ? 11.638 -14.951 -56.352 1.00 36.89 ? 335 HOH A O 1 HETATM 3988 O O . HOH H 6 . ? -3.484 -24.839 -22.654 1.00 38.89 ? 336 HOH A O 1 HETATM 3989 O O . HOH H 6 . ? -3.708 -7.720 -57.106 1.00 51.45 ? 337 HOH A O 1 HETATM 3990 O O . HOH H 6 . ? -12.142 -8.370 -58.264 1.00 45.27 ? 338 HOH A O 1 HETATM 3991 O O . HOH H 6 . ? -3.074 -35.297 -51.040 1.00 46.16 ? 339 HOH A O 1 HETATM 3992 O O . HOH H 6 . ? 2.004 -22.351 -74.917 1.00 59.10 ? 340 HOH A O 1 HETATM 3993 O O . HOH H 6 . ? -17.077 -24.562 -46.891 1.00 42.39 ? 341 HOH A O 1 HETATM 3994 O O . HOH H 6 . ? -7.527 -18.592 0.326 1.00 39.92 ? 342 HOH A O 1 HETATM 3995 O O . HOH H 6 . ? -9.798 -26.829 -37.975 1.00 39.85 ? 343 HOH A O 1 HETATM 3996 O O . HOH H 6 . ? -20.173 -14.730 -37.084 1.00 50.44 ? 344 HOH A O 1 HETATM 3997 O O . HOH H 6 . ? -13.387 -11.588 -63.889 1.00 47.52 ? 345 HOH A O 1 HETATM 3998 O O . HOH H 6 . ? -11.975 -14.151 -63.401 1.00 44.68 ? 346 HOH A O 1 HETATM 3999 O O . HOH H 6 . ? -2.581 -27.126 -15.212 1.00 42.45 ? 347 HOH A O 1 HETATM 4000 O O . HOH H 6 . ? -19.820 -18.142 -51.653 1.00 47.15 ? 348 HOH A O 1 HETATM 4001 O O . HOH H 6 . ? -8.678 -2.800 -40.567 1.00 37.82 ? 349 HOH A O 1 HETATM 4002 O O . HOH H 6 . ? 2.563 -16.719 -22.458 1.00 40.68 ? 350 HOH A O 1 HETATM 4003 O O . HOH H 6 . ? 2.360 -11.128 -38.546 1.00 17.01 ? 351 HOH A O 1 HETATM 4004 O O . HOH H 6 . ? 4.172 -36.993 -62.831 1.00 44.40 ? 352 HOH A O 1 HETATM 4005 O O . HOH H 6 . ? -9.022 -3.546 -42.870 1.00 41.10 ? 353 HOH A O 1 HETATM 4006 O O . HOH H 6 . ? -13.632 -6.236 -57.195 1.00 41.39 ? 355 HOH A O 1 HETATM 4007 O O . HOH H 6 . ? -17.407 -17.376 -38.275 1.00 20.74 ? 356 HOH A O 1 HETATM 4008 O O . HOH H 6 . ? -11.457 -14.649 -32.922 1.00 19.80 ? 357 HOH A O 1 HETATM 4009 O O . HOH H 6 . ? -1.826 -32.213 -39.860 1.00 16.15 ? 358 HOH A O 1 HETATM 4010 O O . HOH H 6 . ? -18.234 -14.672 -20.084 1.00 41.39 ? 359 HOH A O 1 HETATM 4011 O O . HOH H 6 . ? -15.366 -16.871 -47.171 1.00 21.94 ? 361 HOH A O 1 HETATM 4012 O O . HOH H 6 . ? 7.280 -23.617 -72.040 1.00 45.52 ? 362 HOH A O 1 HETATM 4013 O O . HOH H 6 . ? -16.287 -31.012 -69.908 1.00 43.08 ? 363 HOH A O 1 HETATM 4014 O O . HOH H 6 . ? -17.277 -17.313 -19.848 1.00 41.59 ? 364 HOH A O 1 HETATM 4015 O O . HOH H 6 . ? -0.491 -23.149 -22.444 1.00 37.38 ? 365 HOH A O 1 HETATM 4016 O O . HOH H 6 . ? -14.329 -11.201 -23.773 1.00 22.43 ? 366 HOH A O 1 HETATM 4017 O O . HOH H 6 . ? -1.709 -8.760 -31.249 1.00 20.22 ? 367 HOH A O 1 HETATM 4018 O O . HOH H 6 . ? -15.074 -24.610 -29.413 1.00 40.61 ? 368 HOH A O 1 HETATM 4019 O O . HOH H 6 . ? 0.631 -7.865 -62.320 1.00 47.39 ? 369 HOH A O 1 HETATM 4020 O O . HOH H 6 . ? 0.885 -14.912 -12.840 1.00 55.03 ? 370 HOH A O 1 HETATM 4021 O O . HOH H 6 . ? -1.628 -9.573 -50.071 1.00 39.94 ? 371 HOH A O 1 HETATM 4022 O O . HOH H 6 . ? -14.287 -26.070 -17.585 1.00 46.31 ? 372 HOH A O 1 HETATM 4023 O O . HOH H 6 . ? -23.830 -29.689 -53.024 1.00 45.97 ? 373 HOH A O 1 HETATM 4024 O O . HOH H 6 . ? -6.688 -26.901 -75.253 1.00 51.12 ? 374 HOH A O 1 HETATM 4025 O O . HOH H 6 . ? 9.390 -16.780 -63.378 1.00 43.77 ? 375 HOH A O 1 HETATM 4026 O O . HOH H 6 . ? -6.259 -4.464 -32.957 1.00 32.71 ? 376 HOH A O 1 HETATM 4027 O O . HOH H 6 . ? -6.392 -9.055 -33.846 1.00 19.42 ? 377 HOH A O 1 HETATM 4028 O O . HOH H 6 . ? -13.724 -26.571 -48.682 1.00 17.89 ? 378 HOH A O 1 HETATM 4029 O O . HOH H 6 . ? -9.025 -31.033 -52.343 1.00 20.77 ? 379 HOH A O 1 HETATM 4030 O O . HOH H 6 . ? 19.184 -11.740 -41.595 1.00 49.82 ? 380 HOH A O 1 HETATM 4031 O O . HOH H 6 . ? 13.222 -35.109 -51.186 1.00 21.00 ? 381 HOH A O 1 HETATM 4032 O O . HOH H 6 . ? -4.410 -0.031 -20.459 1.00 44.92 ? 382 HOH A O 1 HETATM 4033 O O . HOH H 6 . ? 3.306 -7.565 -58.499 1.00 47.85 ? 383 HOH A O 1 HETATM 4034 O O . HOH H 6 . ? 17.925 -16.599 -44.292 1.00 22.59 ? 384 HOH A O 1 HETATM 4035 O O . HOH H 6 . ? -18.915 -11.022 -28.495 1.00 45.77 ? 385 HOH A O 1 HETATM 4036 O O . HOH H 6 . ? -18.561 -19.927 -45.420 1.00 50.37 ? 386 HOH A O 1 HETATM 4037 O O . HOH H 6 . ? -15.061 -18.548 -5.005 1.00 43.04 ? 387 HOH A O 1 HETATM 4038 O O . HOH H 6 . ? 1.242 -29.698 -46.702 1.00 20.31 ? 388 HOH A O 1 HETATM 4039 O O . HOH H 6 . ? -0.754 -36.260 -57.886 1.00 43.07 ? 389 HOH A O 1 HETATM 4040 O O . HOH H 6 . ? -10.454 -23.092 -43.012 1.00 24.03 ? 390 HOH A O 1 HETATM 4041 O O . HOH H 6 . ? -17.356 -6.856 -26.105 1.00 40.90 ? 391 HOH A O 1 HETATM 4042 O O . HOH H 6 . ? 9.003 -7.043 -58.914 1.00 53.30 ? 392 HOH A O 1 HETATM 4043 O O . HOH H 6 . ? -18.589 -14.563 -48.436 1.00 38.16 ? 393 HOH A O 1 HETATM 4044 O O . HOH H 6 . ? 4.630 -26.279 -29.014 1.00 45.82 ? 394 HOH A O 1 HETATM 4045 O O . HOH H 6 . ? -14.784 -19.058 -24.839 1.00 39.71 ? 395 HOH A O 1 HETATM 4046 O O . HOH H 6 . ? -14.002 -32.664 -52.499 1.00 22.49 ? 396 HOH A O 1 HETATM 4047 O O . HOH H 6 . ? -11.591 -24.205 -39.762 1.00 41.51 ? 397 HOH A O 1 HETATM 4048 O O . HOH H 6 . ? -19.471 -23.460 -47.571 1.00 41.86 ? 398 HOH A O 1 HETATM 4049 O O . HOH H 6 . ? 3.293 -8.353 -65.612 1.00 48.31 ? 399 HOH A O 1 HETATM 4050 O O . HOH H 6 . ? 1.478 -16.767 -72.808 1.00 42.89 ? 400 HOH A O 1 HETATM 4051 O O . HOH H 6 . ? 22.679 -16.658 -54.933 1.00 39.06 ? 401 HOH A O 1 HETATM 4052 O O . HOH H 6 . ? 19.642 -22.067 -51.656 1.00 23.55 ? 402 HOH A O 1 HETATM 4053 O O . HOH H 6 . ? -0.973 -5.203 -45.665 1.00 38.88 ? 403 HOH A O 1 HETATM 4054 O O . HOH H 6 . ? -13.807 -15.406 -31.552 1.00 19.70 ? 404 HOH A O 1 HETATM 4055 O O . HOH H 6 . ? -9.306 -23.723 -38.777 1.00 19.99 ? 405 HOH A O 1 HETATM 4056 O O . HOH H 6 . ? -14.670 -16.547 -23.763 1.00 55.95 ? 406 HOH A O 1 HETATM 4057 O O . HOH H 6 . ? 4.826 -6.438 -49.621 1.00 38.50 ? 407 HOH A O 1 HETATM 4058 O O . HOH H 6 . ? -3.589 -37.089 -59.650 1.00 45.16 ? 408 HOH A O 1 HETATM 4059 O O . HOH H 6 . ? -1.917 -22.487 -62.889 1.00 20.30 ? 409 HOH A O 1 HETATM 4060 O O . HOH H 6 . ? 12.739 -10.176 -44.854 1.00 46.07 ? 410 HOH A O 1 HETATM 4061 O O . HOH H 6 . ? -14.845 -24.181 -48.202 1.00 24.71 ? 412 HOH A O 1 HETATM 4062 O O . HOH H 6 . ? -17.004 -19.110 -12.317 1.00 53.25 ? 413 HOH A O 1 HETATM 4063 O O . HOH H 6 . ? 16.095 -14.191 -52.257 1.00 26.24 ? 414 HOH A O 1 HETATM 4064 O O . HOH H 6 . ? -4.208 -25.768 -76.604 1.00 53.48 ? 415 HOH A O 1 HETATM 4065 O O . HOH H 6 . ? -0.195 -23.639 -74.026 1.00 44.73 ? 416 HOH A O 1 HETATM 4066 O O . HOH H 6 . ? -16.549 -15.967 -49.441 1.00 35.84 ? 417 HOH A O 1 HETATM 4067 O O . HOH H 6 . ? 21.033 -27.396 -50.632 1.00 41.80 ? 418 HOH A O 1 HETATM 4068 O O . HOH H 6 . ? 3.450 -9.012 -42.159 1.00 20.80 ? 419 HOH A O 1 HETATM 4069 O O . HOH H 6 . ? -20.427 -17.047 -35.316 1.00 42.64 ? 420 HOH A O 1 HETATM 4070 O O . HOH H 6 . ? -11.294 -34.824 -18.139 1.00 50.04 ? 421 HOH A O 1 HETATM 4071 O O . HOH H 6 . ? -14.341 -14.885 -49.871 1.00 22.73 ? 422 HOH A O 1 HETATM 4072 O O . HOH H 6 . ? -13.206 -30.120 -50.328 1.00 22.79 ? 423 HOH A O 1 HETATM 4073 O O . HOH H 6 . ? -17.824 -27.808 -46.832 1.00 49.44 ? 424 HOH A O 1 HETATM 4074 O O . HOH H 6 . ? -13.815 -15.153 17.068 1.00 53.83 ? 425 HOH A O 1 HETATM 4075 O O . HOH H 6 . ? -9.483 -7.773 -31.043 1.00 21.63 ? 426 HOH A O 1 HETATM 4076 O O . HOH H 6 . ? -4.913 -12.140 -44.637 1.00 22.70 ? 427 HOH A O 1 HETATM 4077 O O . HOH H 6 . ? 21.554 -12.586 -50.738 1.00 53.39 ? 428 HOH A O 1 HETATM 4078 O O . HOH H 6 . ? -4.649 -20.167 8.316 1.00 42.47 ? 429 HOH A O 1 HETATM 4079 O O . HOH H 6 . ? 0.001 -34.343 -49.009 1.00 50.54 ? 430 HOH A O 1 HETATM 4080 O O . HOH H 6 . ? 3.659 -6.504 -38.118 1.00 21.32 ? 431 HOH A O 1 HETATM 4081 O O . HOH H 6 . ? 13.952 -26.019 -46.400 1.00 22.23 ? 432 HOH A O 1 HETATM 4082 O O . HOH H 6 . ? -2.189 -12.052 -44.853 1.00 19.13 ? 433 HOH A O 1 HETATM 4083 O O . HOH H 6 . ? 4.107 -5.061 -31.574 1.00 38.67 ? 434 HOH A O 1 HETATM 4084 O O . HOH H 6 . ? -5.098 -23.560 -26.422 1.00 45.84 ? 435 HOH A O 1 HETATM 4085 O O . HOH H 6 . ? 21.242 -24.814 -48.206 1.00 42.27 ? 436 HOH A O 1 HETATM 4086 O O . HOH H 6 . ? -26.041 -28.227 -56.186 1.00 47.83 ? 437 HOH A O 1 HETATM 4087 O O . HOH H 6 . ? -13.297 -9.481 -34.586 1.00 47.99 ? 438 HOH A O 1 HETATM 4088 O O . HOH H 6 . ? -0.525 -2.967 -23.454 1.00 44.12 ? 439 HOH A O 1 HETATM 4089 O O . HOH H 6 . ? -2.028 -20.023 10.664 1.00 49.89 ? 440 HOH A O 1 HETATM 4090 O O . HOH H 6 . ? -6.036 -32.743 -68.060 1.00 43.95 ? 441 HOH A O 1 HETATM 4091 O O . HOH H 6 . ? 1.392 -6.773 -49.639 1.00 58.27 ? 442 HOH A O 1 HETATM 4092 O O . HOH H 6 . ? -7.162 -3.567 -46.758 1.00 48.12 ? 443 HOH A O 1 HETATM 4093 O O . HOH H 6 . ? -11.690 -25.434 19.914 1.00 29.88 ? 444 HOH A O 1 HETATM 4094 O O . HOH H 6 . ? 1.174 -4.437 -26.635 1.00 44.49 ? 445 HOH A O 1 HETATM 4095 O O . HOH H 6 . ? 13.120 -8.026 -40.896 1.00 38.83 ? 446 HOH A O 1 HETATM 4096 O O . HOH H 6 . ? 2.691 -2.869 -32.388 1.00 51.12 ? 447 HOH A O 1 HETATM 4097 O O . HOH H 6 . ? -8.501 -29.889 -45.431 1.00 21.12 ? 448 HOH A O 1 HETATM 4098 O O . HOH H 6 . ? -2.769 -24.159 -29.362 1.00 41.93 ? 449 HOH A O 1 HETATM 4099 O O . HOH H 6 . ? -6.017 -32.840 -49.285 1.00 24.42 ? 450 HOH A O 1 HETATM 4100 O O . HOH H 6 . ? 5.263 -23.667 -27.435 1.00 38.71 ? 452 HOH A O 1 HETATM 4101 O O . HOH H 6 . ? -19.512 -17.553 -46.288 1.00 51.64 ? 453 HOH A O 1 HETATM 4102 O O . HOH H 6 . ? -16.566 -12.228 -33.990 1.00 52.04 ? 455 HOH A O 1 HETATM 4103 O O . HOH H 6 . ? -1.596 -12.034 -55.196 1.00 22.64 ? 456 HOH A O 1 HETATM 4104 O O . HOH H 6 . ? -14.983 -9.357 -50.155 1.00 52.96 ? 457 HOH A O 1 HETATM 4105 O O . HOH H 6 . ? -2.366 -9.239 -61.722 1.00 48.73 ? 458 HOH A O 1 HETATM 4106 O O . HOH H 6 . ? 18.774 -26.254 -43.648 1.00 49.65 ? 459 HOH A O 1 HETATM 4107 O O . HOH H 6 . ? 14.259 -24.424 -64.964 1.00 50.56 ? 460 HOH A O 1 HETATM 4108 O O . HOH H 6 . ? -16.632 -21.320 -47.314 1.00 39.79 ? 461 HOH A O 1 HETATM 4109 O O . HOH H 6 . ? 1.226 -10.202 -40.959 1.00 21.62 ? 462 HOH A O 1 HETATM 4110 O O . HOH H 6 . ? -10.767 -19.528 -3.643 1.00 55.43 ? 463 HOH A O 1 HETATM 4111 O O . HOH H 6 . ? -12.840 -4.667 -19.488 1.00 44.15 ? 464 HOH A O 1 HETATM 4112 O O . HOH H 6 . ? -20.039 -27.137 -34.259 1.00 61.56 ? 465 HOH A O 1 HETATM 4113 O O . HOH H 6 . ? -11.947 -23.509 -25.638 1.00 43.73 ? 466 HOH A O 1 HETATM 4114 O O . HOH H 6 . ? 3.141 -4.827 -42.724 1.00 47.01 ? 467 HOH A O 1 HETATM 4115 O O . HOH H 6 . ? -14.482 -12.189 -41.929 1.00 23.07 ? 468 HOH A O 1 HETATM 4116 O O . HOH H 6 . ? -20.879 -14.092 -54.564 1.00 53.36 ? 469 HOH A O 1 HETATM 4117 O O . HOH H 6 . ? -14.747 -8.817 -38.724 1.00 47.95 ? 470 HOH A O 1 HETATM 4118 O O . HOH H 6 . ? 22.587 -20.107 -57.791 1.00 48.68 ? 471 HOH A O 1 HETATM 4119 O O . HOH H 6 . ? 1.419 -21.356 -24.131 1.00 39.50 ? 472 HOH A O 1 HETATM 4120 O O . HOH H 6 . ? -10.164 -7.139 -55.057 1.00 39.41 ? 473 HOH A O 1 HETATM 4121 O O . HOH H 6 . ? 7.256 -7.974 -64.892 1.00 49.94 ? 474 HOH A O 1 HETATM 4122 O O . HOH H 6 . ? -0.342 -34.356 -40.803 1.00 24.90 ? 475 HOH A O 1 HETATM 4123 O O . HOH H 6 . ? -7.853 -30.488 16.597 1.00 25.07 ? 476 HOH A O 1 HETATM 4124 O O . HOH H 6 . ? -16.807 -25.040 -39.772 1.00 55.55 ? 477 HOH A O 1 HETATM 4125 O O . HOH H 6 . ? 22.724 -18.705 -40.484 1.00 52.69 ? 478 HOH A O 1 HETATM 4126 O O . HOH H 6 . ? -13.925 -31.846 -4.861 1.00 52.41 ? 479 HOH A O 1 HETATM 4127 O O . HOH H 6 . ? 14.210 -28.409 -44.951 1.00 41.29 ? 480 HOH A O 1 HETATM 4128 O O . HOH H 6 . ? 2.112 -19.349 -22.356 1.00 52.87 ? 481 HOH A O 1 HETATM 4129 O O . HOH H 6 . ? 7.563 -29.055 -69.204 1.00 45.29 ? 482 HOH A O 1 HETATM 4130 O O . HOH H 6 . ? -18.127 -20.893 -34.633 1.00 22.39 ? 483 HOH A O 1 HETATM 4131 O O . HOH H 6 . ? -19.992 -9.574 -23.749 1.00 44.42 ? 484 HOH A O 1 HETATM 4132 O O . HOH H 6 . ? -3.901 -29.440 7.121 1.00 24.61 ? 485 HOH A O 1 HETATM 4133 O O . HOH H 6 . ? 18.659 -21.679 -57.746 1.00 34.10 ? 486 HOH A O 1 HETATM 4134 O O . HOH H 6 . ? -15.786 -29.714 4.113 1.00 48.43 ? 487 HOH A O 1 HETATM 4135 O O . HOH H 6 . ? 4.720 -25.722 -31.874 1.00 25.66 ? 489 HOH A O 1 HETATM 4136 O O . HOH H 6 . ? -17.590 -26.259 -28.513 1.00 53.41 ? 490 HOH A O 1 HETATM 4137 O O . HOH H 6 . ? -22.404 -31.815 -59.561 1.00 52.17 ? 491 HOH A O 1 HETATM 4138 O O . HOH H 6 . ? -14.313 -21.683 -25.468 1.00 48.38 ? 492 HOH A O 1 HETATM 4139 O O . HOH H 6 . ? 0.512 -23.867 -14.799 1.00 61.30 ? 493 HOH A O 1 HETATM 4140 O O . HOH H 6 . ? -2.777 -3.784 -35.849 1.00 35.76 ? 494 HOH A O 1 HETATM 4141 O O . HOH H 6 . ? -4.503 -34.038 -64.928 1.00 45.54 ? 495 HOH A O 1 HETATM 4142 O O . HOH H 6 . ? -9.517 -12.148 -13.359 1.00 31.52 ? 496 HOH A O 1 HETATM 4143 O O . HOH H 6 . ? 10.550 -26.137 -65.280 1.00 41.79 ? 497 HOH A O 1 HETATM 4144 O O . HOH H 6 . ? 1.507 -21.569 -16.008 1.00 47.16 ? 498 HOH A O 1 HETATM 4145 O O . HOH H 6 . ? 0.710 -11.387 -66.138 1.00 45.40 ? 499 HOH A O 1 HETATM 4146 O O . HOH H 6 . ? -4.996 -31.679 -42.535 1.00 24.48 ? 500 HOH A O 1 HETATM 4147 O O . HOH H 6 . ? -20.402 -23.836 -60.897 1.00 52.56 ? 501 HOH A O 1 HETATM 4148 O O . HOH H 6 . ? 8.912 -15.406 -67.152 1.00 55.56 ? 502 HOH A O 1 HETATM 4149 O O . HOH H 6 . ? -19.963 -22.784 -34.120 1.00 47.08 ? 503 HOH A O 1 HETATM 4150 O O . HOH H 6 . ? -18.137 -13.567 -42.422 1.00 28.85 ? 504 HOH A O 1 HETATM 4151 O O . HOH H 6 . ? 13.466 -17.055 -30.043 1.00 46.07 ? 506 HOH A O 1 HETATM 4152 O O . HOH H 6 . ? 1.754 -34.801 -53.595 1.00 48.18 ? 507 HOH A O 1 HETATM 4153 O O . HOH H 6 . ? -12.424 -8.040 -45.732 1.00 24.06 ? 508 HOH A O 1 HETATM 4154 O O . HOH H 6 . ? -0.059 -8.322 -15.986 1.00 53.44 ? 509 HOH A O 1 HETATM 4155 O O . HOH H 6 . ? -5.974 -1.609 -24.868 1.00 49.84 ? 510 HOH A O 1 HETATM 4156 O O . HOH H 6 . ? -18.141 -33.523 11.624 1.00 50.86 ? 511 HOH A O 1 HETATM 4157 O O . HOH H 6 . ? 18.404 -20.004 -55.444 1.00 26.88 ? 512 HOH A O 1 HETATM 4158 O O . HOH H 6 . ? -10.699 -19.278 6.326 1.00 60.83 ? 513 HOH A O 1 HETATM 4159 O O . HOH H 6 . ? -13.491 -27.944 40.269 1.00 47.20 ? 514 HOH A O 1 HETATM 4160 O O . HOH H 6 . ? -3.930 -33.749 -39.624 1.00 26.73 ? 515 HOH A O 1 HETATM 4161 O O . HOH H 6 . ? 4.746 -6.553 -33.746 1.00 21.50 ? 516 HOH A O 1 HETATM 4162 O O . HOH H 6 . ? -24.730 -24.772 -55.154 1.00 47.61 ? 517 HOH A O 1 HETATM 4163 O O . HOH H 6 . ? 0.226 -34.189 -71.443 1.00 55.99 ? 518 HOH A O 1 HETATM 4164 O O . HOH H 6 . ? -8.788 -29.234 -37.667 1.00 50.96 ? 519 HOH A O 1 HETATM 4165 O O . HOH H 6 . ? -16.797 -18.965 -47.972 1.00 43.76 ? 520 HOH A O 1 HETATM 4166 O O . HOH H 6 . ? 9.555 -6.068 -30.173 1.00 41.60 ? 521 HOH A O 1 HETATM 4167 O O . HOH H 6 . ? 8.817 -7.865 -45.125 1.00 41.13 ? 522 HOH A O 1 HETATM 4168 O O . HOH H 6 . ? 10.121 -35.717 -46.961 1.00 41.16 ? 523 HOH A O 1 HETATM 4169 O O . HOH H 6 . ? -4.031 -8.061 -34.648 1.00 21.20 ? 524 HOH A O 1 HETATM 4170 O O . HOH H 6 . ? -0.158 -20.039 -9.076 1.00 52.78 ? 525 HOH A O 1 HETATM 4171 O O . HOH H 6 . ? -7.387 -5.393 -54.749 1.00 47.02 ? 526 HOH A O 1 HETATM 4172 O O . HOH H 6 . ? 15.342 -15.618 -54.605 1.00 26.24 ? 528 HOH A O 1 HETATM 4173 O O . HOH H 6 . ? 18.342 -33.336 -48.304 1.00 23.96 ? 529 HOH A O 1 HETATM 4174 O O . HOH H 6 . ? 11.339 -27.446 -47.276 1.00 20.64 ? 530 HOH A O 1 HETATM 4175 O O . HOH H 6 . ? -10.545 -12.616 -61.146 1.00 65.74 ? 531 HOH A O 1 HETATM 4176 O O . HOH H 6 . ? 4.901 -34.085 -49.990 1.00 36.94 ? 532 HOH A O 1 HETATM 4177 O O . HOH H 6 . ? -19.849 -11.831 -60.860 1.00 45.99 ? 533 HOH A O 1 HETATM 4178 O O . HOH H 6 . ? -14.632 -31.296 -72.262 1.00 51.34 ? 534 HOH A O 1 HETATM 4179 O O . HOH H 6 . ? -11.109 -8.093 -14.495 1.00 48.39 ? 535 HOH A O 1 HETATM 4180 O O . HOH H 6 . ? 25.721 -13.388 -50.618 1.00 53.48 ? 536 HOH A O 1 HETATM 4181 O O . HOH H 6 . ? 2.049 -15.903 -25.019 1.00 25.96 ? 538 HOH A O 1 HETATM 4182 O O . HOH H 6 . ? -14.749 -5.420 -26.668 1.00 52.38 ? 539 HOH A O 1 HETATM 4183 O O . HOH H 6 . ? 7.220 -31.909 -69.498 1.00 48.92 ? 540 HOH A O 1 HETATM 4184 O O . HOH H 6 . ? 2.962 -15.535 -20.163 1.00 53.97 ? 541 HOH A O 1 HETATM 4185 O O . HOH H 6 . ? -11.877 -16.635 20.700 1.00 46.17 ? 542 HOH A O 1 HETATM 4186 O O . HOH H 6 . ? -16.784 -16.415 -25.372 1.00 52.37 ? 543 HOH A O 1 HETATM 4187 O O . HOH H 6 . ? -15.413 -11.034 -37.914 1.00 44.34 ? 544 HOH A O 1 HETATM 4188 O O . HOH H 6 . ? -3.592 -12.448 -13.760 1.00 27.57 ? 545 HOH A O 1 HETATM 4189 O O . HOH H 6 . ? 13.718 -10.357 -47.180 1.00 42.62 ? 547 HOH A O 1 HETATM 4190 O O . HOH H 6 . ? -1.053 -3.450 -37.913 1.00 54.38 ? 548 HOH A O 1 HETATM 4191 O O . HOH H 6 . ? -17.543 -15.103 -10.096 1.00 60.97 ? 549 HOH A O 1 HETATM 4192 O O . HOH H 6 . ? 20.023 -17.924 -54.995 1.00 29.18 ? 550 HOH A O 1 HETATM 4193 O O . HOH H 6 . ? 1.776 -7.925 -44.199 1.00 27.35 ? 551 HOH A O 1 HETATM 4194 O O . HOH H 6 . ? -7.687 -33.252 -53.198 1.00 25.49 ? 553 HOH A O 1 HETATM 4195 O O . HOH H 6 . ? -0.275 -24.513 -26.824 1.00 45.68 ? 554 HOH A O 1 HETATM 4196 O O . HOH H 6 . ? -4.384 -13.206 -56.940 1.00 27.59 ? 555 HOH A O 1 HETATM 4197 O O . HOH H 6 . ? -2.922 -6.409 -31.725 1.00 23.90 ? 556 HOH A O 1 HETATM 4198 O O . HOH H 6 . ? -11.008 -23.406 37.392 1.00 48.91 ? 557 HOH A O 1 HETATM 4199 O O . HOH H 6 . ? -19.602 -23.111 -31.254 1.00 50.98 ? 558 HOH A O 1 HETATM 4200 O O . HOH H 6 . ? -14.539 -29.329 -11.780 1.00 52.62 ? 559 HOH A O 1 HETATM 4201 O O . HOH H 6 . ? 4.825 -16.165 -66.582 1.00 31.45 ? 560 HOH A O 1 HETATM 4202 O O . HOH H 6 . ? -15.965 -28.708 -27.928 1.00 55.99 ? 561 HOH A O 1 HETATM 4203 O O . HOH H 6 . ? -18.482 -21.273 15.033 1.00 57.49 ? 562 HOH A O 1 HETATM 4204 O O . HOH H 6 . ? -3.710 -24.066 -15.757 1.00 30.20 ? 563 HOH A O 1 HETATM 4205 O O . HOH H 6 . ? 1.394 -16.565 -49.956 1.00 32.46 ? 564 HOH A O 1 HETATM 4206 O O . HOH H 6 . ? -3.346 -33.912 -44.173 1.00 23.20 ? 565 HOH A O 1 HETATM 4207 O O . HOH H 6 . ? -0.305 -8.641 -53.656 1.00 28.44 ? 566 HOH A O 1 HETATM 4208 O O . HOH H 6 . ? -6.747 -18.060 9.180 1.00 48.71 ? 567 HOH A O 1 HETATM 4209 O O . HOH H 6 . ? 21.604 -14.128 -41.154 1.00 54.36 ? 568 HOH A O 1 HETATM 4210 O O . HOH H 6 . ? -21.635 -24.516 -49.779 1.00 26.33 ? 569 HOH A O 1 HETATM 4211 O O . HOH H 6 . ? -16.219 -39.829 11.751 1.00 47.52 ? 570 HOH A O 1 HETATM 4212 O O . HOH H 6 . ? -19.032 -19.026 -36.670 1.00 25.43 ? 571 HOH A O 1 HETATM 4213 O O . HOH H 6 . ? 16.468 -22.628 -40.966 1.00 28.01 ? 572 HOH A O 1 HETATM 4214 O O . HOH H 6 . ? -13.062 -27.797 -13.902 1.00 58.17 ? 573 HOH A O 1 HETATM 4215 O O . HOH H 6 . ? 9.473 -12.066 -65.148 1.00 46.34 ? 574 HOH A O 1 HETATM 4216 O O . HOH H 6 . ? -14.679 -19.925 -46.782 1.00 27.26 ? 575 HOH A O 1 HETATM 4217 O O . HOH H 6 . ? -12.166 -30.720 -17.023 1.00 46.09 ? 576 HOH A O 1 HETATM 4218 O O . HOH H 6 . ? -13.875 -22.704 -60.955 1.00 30.69 ? 577 HOH A O 1 HETATM 4219 O O . HOH H 6 . ? -16.113 -33.783 -65.392 1.00 44.69 ? 578 HOH A O 1 HETATM 4220 O O . HOH H 6 . ? 1.557 -6.475 -30.511 1.00 26.38 ? 579 HOH A O 1 HETATM 4221 O O . HOH H 6 . ? -12.970 -23.218 -63.528 1.00 45.54 ? 580 HOH A O 1 HETATM 4222 O O . HOH H 6 . ? -0.128 -17.913 -48.392 1.00 24.15 ? 581 HOH A O 1 HETATM 4223 O O . HOH H 6 . ? -14.368 -12.710 -32.599 1.00 29.71 ? 583 HOH A O 1 HETATM 4224 O O . HOH H 6 . ? -9.195 -23.527 -26.549 1.00 26.91 ? 584 HOH A O 1 HETATM 4225 O O . HOH H 6 . ? 9.193 -7.646 -37.062 1.00 44.14 ? 585 HOH A O 1 HETATM 4226 O O . HOH H 6 . ? 1.222 -5.347 -38.530 1.00 26.00 ? 586 HOH A O 1 HETATM 4227 O O . HOH H 6 . ? 19.267 -23.392 -56.074 1.00 43.11 ? 587 HOH A O 1 HETATM 4228 O O . HOH H 6 . ? -13.621 -3.543 -23.339 1.00 31.62 ? 588 HOH A O 1 HETATM 4229 O O . HOH H 6 . ? 10.536 -35.305 -50.073 1.00 29.02 ? 589 HOH A O 1 HETATM 4230 O O . HOH H 6 . ? -4.393 -11.786 -69.843 1.00 53.84 ? 590 HOH A O 1 HETATM 4231 O O . HOH H 6 . ? -10.963 -14.683 18.715 1.00 56.28 ? 591 HOH A O 1 HETATM 4232 O O . HOH H 6 . ? -1.516 -27.587 -75.075 1.00 47.84 ? 593 HOH A O 1 HETATM 4233 O O . HOH H 6 . ? -5.492 -16.069 -63.983 1.00 34.74 ? 594 HOH A O 1 HETATM 4234 O O . HOH H 6 . ? -22.914 -24.597 -53.165 1.00 31.50 ? 596 HOH A O 1 HETATM 4235 O O . HOH H 6 . ? 4.869 -8.069 -47.933 1.00 34.86 ? 597 HOH A O 1 HETATM 4236 O O . HOH H 6 . ? 4.883 -32.881 -69.216 1.00 43.89 ? 598 HOH A O 1 HETATM 4237 O O . HOH H 6 . ? 7.189 -8.755 -26.589 1.00 44.59 ? 599 HOH A O 1 HETATM 4238 O O . HOH H 6 . ? -2.756 -9.244 -53.034 1.00 26.97 ? 600 HOH A O 1 HETATM 4239 O O . HOH H 6 . ? 21.969 -11.283 -44.983 1.00 47.79 ? 601 HOH A O 1 HETATM 4240 O O . HOH H 6 . ? -11.818 -18.850 -0.645 1.00 57.67 ? 602 HOH A O 1 HETATM 4241 O O . HOH H 6 . ? -18.598 -34.391 -66.650 1.00 58.83 ? 603 HOH A O 1 HETATM 4242 O O . HOH H 6 . ? -10.429 -27.696 -40.282 1.00 47.55 ? 604 HOH A O 1 HETATM 4243 O O . HOH H 6 . ? 23.852 -12.670 -43.454 1.00 69.97 ? 605 HOH A O 1 HETATM 4244 O O . HOH H 6 . ? 13.697 -12.103 -49.201 1.00 29.01 ? 606 HOH A O 1 HETATM 4245 O O . HOH H 6 . ? -18.283 -10.044 -49.983 1.00 49.60 ? 607 HOH A O 1 HETATM 4246 O O . HOH H 6 . ? -10.476 -4.464 -27.102 1.00 45.98 ? 608 HOH A O 1 HETATM 4247 O O . HOH H 6 . ? -13.658 -25.420 -37.692 1.00 49.31 ? 610 HOH A O 1 HETATM 4248 O O . HOH H 6 . ? -1.031 -24.500 -18.641 1.00 54.69 ? 611 HOH A O 1 HETATM 4249 O O . HOH H 6 . ? -8.928 -33.197 17.277 1.00 29.90 ? 612 HOH A O 1 HETATM 4250 O O . HOH H 6 . ? -7.842 -5.589 -16.494 1.00 34.88 ? 613 HOH A O 1 HETATM 4251 O O . HOH H 6 . ? -9.120 -27.049 31.164 1.00 31.31 ? 614 HOH A O 1 HETATM 4252 O O . HOH H 6 . ? -11.697 -24.750 -1.994 1.00 29.54 ? 615 HOH A O 1 HETATM 4253 O O . HOH H 6 . ? -17.724 -7.451 -51.458 1.00 27.70 ? 616 HOH A O 1 HETATM 4254 O O . HOH H 6 . ? -12.546 -23.659 -45.107 1.00 23.92 ? 617 HOH A O 1 HETATM 4255 O O . HOH H 6 . ? -17.137 -11.683 -26.141 1.00 30.83 ? 618 HOH A O 1 HETATM 4256 O O . HOH H 6 . ? 2.311 -7.493 -56.123 1.00 32.33 ? 619 HOH A O 1 HETATM 4257 O O . HOH H 6 . ? 8.053 -28.212 -43.320 1.00 26.75 ? 620 HOH A O 1 HETATM 4258 O O . HOH H 6 . ? -15.604 -25.241 -60.217 1.00 26.10 ? 621 HOH A O 1 HETATM 4259 O O . HOH H 6 . ? -7.386 -5.330 -24.764 1.00 33.15 ? 622 HOH A O 1 HETATM 4260 O O . HOH H 6 . ? -13.288 -6.766 -29.294 1.00 31.77 ? 623 HOH A O 1 HETATM 4261 O O . HOH H 6 . ? -14.660 -20.225 -60.443 1.00 31.75 ? 624 HOH A O 1 HETATM 4262 O O . HOH H 6 . ? 5.000 -5.058 -36.068 1.00 26.46 ? 625 HOH A O 1 HETATM 4263 O O . HOH H 6 . ? -17.298 -11.352 -41.315 1.00 30.81 ? 626 HOH A O 1 HETATM 4264 O O . HOH H 6 . ? -19.704 -19.433 -56.687 1.00 29.99 ? 627 HOH A O 1 HETATM 4265 O O . HOH H 6 . ? 10.355 -13.356 -58.902 1.00 34.90 ? 628 HOH A O 1 HETATM 4266 O O . HOH H 6 . ? 8.120 -8.044 -49.365 1.00 29.94 ? 629 HOH A O 1 HETATM 4267 O O . HOH H 6 . ? 4.016 -28.572 -36.558 1.00 30.89 ? 630 HOH A O 1 HETATM 4268 O O . HOH H 6 . ? 19.672 -24.816 -51.005 1.00 37.30 ? 631 HOH A O 1 HETATM 4269 O O . HOH H 6 . ? -18.994 -9.531 -53.388 1.00 45.22 ? 632 HOH A O 1 HETATM 4270 O O . HOH H 6 . ? 4.794 -8.020 -39.950 1.00 26.64 ? 633 HOH A O 1 HETATM 4271 O O . HOH H 6 . ? 2.637 -11.795 -22.903 1.00 30.28 ? 634 HOH A O 1 HETATM 4272 O O . HOH H 6 . ? 10.592 -31.171 -56.990 1.00 27.43 ? 635 HOH A O 1 HETATM 4273 O O . HOH H 6 . ? -0.654 -4.623 -30.847 1.00 29.36 ? 636 HOH A O 1 HETATM 4274 O O . HOH H 6 . ? -3.962 -5.523 -42.095 1.00 36.26 ? 637 HOH A O 1 HETATM 4275 O O . HOH H 6 . ? -10.222 -36.862 11.593 1.00 31.71 ? 638 HOH A O 1 HETATM 4276 O O . HOH H 6 . ? 22.475 -21.977 -49.266 1.00 33.19 ? 639 HOH A O 1 HETATM 4277 O O . HOH H 6 . ? -12.266 -18.873 -5.443 1.00 36.67 ? 640 HOH A O 1 HETATM 4278 O O . HOH H 6 . ? 8.707 -9.326 -34.941 1.00 30.64 ? 641 HOH A O 1 HETATM 4279 O O . HOH H 6 . ? -9.582 -27.387 -44.950 1.00 36.96 ? 642 HOH A O 1 HETATM 4280 O O . HOH H 6 . ? -6.630 -11.096 -14.694 1.00 33.38 ? 643 HOH A O 1 HETATM 4281 O O . HOH H 6 . ? -22.396 -5.976 -56.767 1.00 38.72 ? 644 HOH A O 1 HETATM 4282 O O . HOH H 6 . ? -3.073 -7.604 -50.712 1.00 33.24 ? 645 HOH A O 1 HETATM 4283 O O . HOH H 6 . ? -6.604 -8.153 -31.122 1.00 25.81 ? 646 HOH A O 1 HETATM 4284 O O . HOH H 6 . ? -15.255 -4.557 -51.200 1.00 29.02 ? 647 HOH A O 1 HETATM 4285 O O . HOH H 6 . ? 17.480 -24.313 -57.549 1.00 33.02 ? 648 HOH A O 1 HETATM 4286 O O . HOH H 6 . ? 3.185 -13.228 -24.962 1.00 33.31 ? 649 HOH A O 1 HETATM 4287 O O . HOH H 6 . ? -8.475 -8.439 -35.671 1.00 27.42 ? 650 HOH A O 1 HETATM 4288 O O . HOH H 6 . ? 8.881 -21.911 -32.735 1.00 33.01 ? 651 HOH A O 1 HETATM 4289 O O . HOH H 6 . ? -11.076 -4.756 -47.572 1.00 33.26 ? 652 HOH A O 1 HETATM 4290 O O . HOH H 6 . ? -11.408 -7.584 -43.165 1.00 31.36 ? 653 HOH A O 1 HETATM 4291 O O . HOH H 6 . ? 4.200 -30.163 -48.243 1.00 30.23 ? 654 HOH A O 1 HETATM 4292 O O . HOH H 6 . ? -9.294 -15.262 -10.817 1.00 32.51 ? 655 HOH A O 1 HETATM 4293 O O . HOH H 6 . ? -3.133 -4.702 -38.055 1.00 36.70 ? 656 HOH A O 1 HETATM 4294 O O . HOH H 6 . ? 10.344 -28.513 -58.086 1.00 32.40 ? 657 HOH A O 1 HETATM 4295 O O . HOH H 6 . ? 8.133 -29.830 -46.344 1.00 30.35 ? 658 HOH A O 1 HETATM 4296 O O . HOH H 6 . ? -16.944 -18.916 -26.678 1.00 32.33 ? 659 HOH A O 1 HETATM 4297 O O . HOH H 6 . ? -9.067 -19.081 8.771 1.00 40.53 ? 660 HOH A O 1 HETATM 4298 O O . HOH H 6 . ? 12.050 -25.159 -63.388 1.00 33.34 ? 661 HOH A O 1 HETATM 4299 O O . HOH H 6 . ? 0.779 -30.229 -54.663 1.00 37.15 ? 662 HOH A O 1 HETATM 4300 O O . HOH H 6 . ? 10.311 -24.239 -36.492 1.00 34.56 ? 663 HOH A O 1 HETATM 4301 O O . HOH H 6 . ? -11.126 -29.929 3.353 1.00 35.57 ? 664 HOH A O 1 HETATM 4302 O O . HOH H 6 . ? -8.116 -35.801 -64.381 1.00 36.51 ? 665 HOH A O 1 HETATM 4303 O O . HOH H 6 . ? -7.072 -22.212 -24.875 1.00 35.89 ? 666 HOH A O 1 HETATM 4304 O O . HOH H 6 . ? 11.881 -15.127 -31.132 1.00 34.99 ? 667 HOH A O 1 HETATM 4305 O O . HOH H 6 . ? -2.420 -10.847 -65.883 1.00 31.42 ? 668 HOH A O 1 HETATM 4306 O O . HOH H 6 . ? -0.704 -7.802 -48.048 1.00 28.82 ? 669 HOH A O 1 HETATM 4307 O O . HOH H 6 . ? -15.712 -21.970 -29.073 1.00 34.37 ? 670 HOH A O 1 HETATM 4308 O O . HOH H 6 . ? -5.363 -5.912 -30.539 1.00 26.76 ? 671 HOH A O 1 HETATM 4309 O O . HOH H 6 . ? 18.666 -14.613 -53.305 1.00 31.01 ? 672 HOH A O 1 HETATM 4310 O O . HOH H 6 . ? -24.046 -30.199 -55.564 1.00 33.60 ? 673 HOH A O 1 HETATM 4311 O O . HOH H 6 . ? 11.398 -16.787 -59.720 1.00 33.13 ? 674 HOH A O 1 HETATM 4312 O O . HOH H 6 . ? -12.202 -26.292 -46.202 1.00 32.83 ? 675 HOH A O 1 HETATM 4313 O O . HOH H 6 . ? 0.637 -23.285 -8.511 1.00 44.78 ? 676 HOH A O 1 HETATM 4314 O O . HOH H 6 . ? -15.972 -16.573 -11.744 1.00 41.94 ? 677 HOH A O 1 HETATM 4315 O O . HOH H 6 . ? -16.625 -23.092 19.245 1.00 40.94 ? 678 HOH A O 1 HETATM 4316 O O . HOH H 6 . ? -11.406 -30.636 -47.173 1.00 38.73 ? 679 HOH A O 1 HETATM 4317 O O . HOH H 6 . ? -3.261 -14.982 -11.616 1.00 37.29 ? 680 HOH A O 1 HETATM 4318 O O . HOH H 6 . ? -8.606 -19.260 2.821 1.00 38.88 ? 681 HOH A O 1 HETATM 4319 O O . HOH H 6 . ? -3.826 -5.614 -33.998 1.00 32.62 ? 682 HOH A O 1 HETATM 4320 O O . HOH H 6 . ? -18.581 -15.106 -45.583 1.00 31.91 ? 683 HOH A O 1 HETATM 4321 O O . HOH H 6 . ? 1.532 -14.175 -18.264 1.00 37.65 ? 684 HOH A O 1 HETATM 4322 O O . HOH H 6 . ? -0.117 -2.614 -32.544 1.00 32.83 ? 685 HOH A O 1 HETATM 4323 O O . HOH H 6 . ? -16.648 -9.915 -43.950 1.00 36.35 ? 686 HOH A O 1 HETATM 4324 O O . HOH H 6 . ? -0.568 -33.031 -52.924 1.00 34.65 ? 687 HOH A O 1 HETATM 4325 O O . HOH H 6 . ? 5.972 -29.463 -30.634 1.00 31.86 ? 688 HOH A O 1 HETATM 4326 O O . HOH H 6 . ? -10.375 -30.388 0.732 1.00 40.19 ? 689 HOH A O 1 HETATM 4327 O O . HOH H 6 . ? 7.208 -5.725 -50.810 1.00 31.69 ? 690 HOH A O 1 HETATM 4328 O O . HOH H 6 . ? -8.744 -12.597 -58.929 1.00 37.82 ? 691 HOH A O 1 HETATM 4329 O O . HOH H 6 . ? 7.753 -18.984 -66.234 1.00 38.57 ? 692 HOH A O 1 HETATM 4330 O O . HOH H 6 . ? 0.729 -10.514 -63.393 1.00 40.21 ? 693 HOH A O 1 HETATM 4331 O O . HOH H 6 . ? -10.512 -4.560 -52.292 1.00 36.65 ? 694 HOH A O 1 HETATM 4332 O O . HOH H 6 . ? -16.686 -17.195 -60.984 1.00 35.59 ? 695 HOH A O 1 HETATM 4333 O O . HOH H 6 . ? -1.983 -17.077 -12.097 1.00 35.19 ? 696 HOH A O 1 HETATM 4334 O O . HOH H 6 . ? -14.726 -22.539 -11.186 1.00 38.00 ? 697 HOH A O 1 HETATM 4335 O O . HOH H 6 . ? 19.863 -11.687 -46.358 1.00 34.34 ? 698 HOH A O 1 HETATM 4336 O O . HOH H 6 . ? 16.101 -22.063 -38.020 1.00 46.06 ? 699 HOH A O 1 HETATM 4337 O O . HOH H 6 . ? -9.850 -7.057 -33.722 1.00 34.99 ? 700 HOH A O 1 HETATM 4338 O O . HOH H 6 . ? 16.090 -10.923 -47.753 1.00 34.08 ? 701 HOH A O 1 HETATM 4339 O O . HOH H 6 . ? 0.240 -18.473 -31.612 1.00 31.05 ? 702 HOH A O 1 HETATM 4340 O O . HOH H 6 . ? 10.230 -7.816 -43.042 1.00 37.15 ? 703 HOH A O 1 HETATM 4341 O O . HOH H 6 . ? -14.978 -22.873 -68.567 1.00 47.15 ? 704 HOH A O 1 HETATM 4342 O O . HOH H 6 . ? 7.463 -5.293 -37.496 1.00 42.63 ? 705 HOH A O 1 HETATM 4343 O O . HOH H 6 . ? -12.809 -5.255 -50.591 1.00 30.60 ? 706 HOH A O 1 HETATM 4344 O O . HOH H 6 . ? -5.319 -6.081 -50.674 1.00 40.69 ? 707 HOH A O 1 HETATM 4345 O O . HOH H 6 . ? -0.320 -34.618 -46.303 1.00 41.09 ? 708 HOH A O 1 HETATM 4346 O O . HOH H 6 . ? -6.093 -3.153 -20.244 1.00 39.15 ? 709 HOH A O 1 HETATM 4347 O O . HOH H 6 . ? -7.450 -5.216 -49.503 1.00 28.79 ? 710 HOH A O 1 HETATM 4348 O O . HOH H 6 . ? -4.660 -6.057 -36.254 1.00 35.51 ? 711 HOH A O 1 HETATM 4349 O O . HOH H 6 . ? -4.950 -13.525 -73.140 1.00 50.02 ? 712 HOH A O 1 HETATM 4350 O O . HOH H 6 . ? 9.150 -37.355 -50.803 1.00 38.94 ? 713 HOH A O 1 HETATM 4351 O O . HOH H 6 . ? 3.845 -12.386 -27.745 1.00 39.98 ? 714 HOH A O 1 HETATM 4352 O O . HOH H 6 . ? 12.929 -21.016 -61.545 1.00 43.14 ? 715 HOH A O 1 HETATM 4353 O O . HOH H 6 . ? -3.129 -35.326 -41.876 1.00 34.33 ? 716 HOH A O 1 HETATM 4354 O O . HOH H 6 . ? 5.718 -31.373 -46.592 1.00 38.38 ? 717 HOH A O 1 HETATM 4355 O O . HOH H 6 . ? -18.513 -26.298 -60.834 1.00 32.16 ? 718 HOH A O 1 HETATM 4356 O O . HOH H 6 . ? -22.948 -8.385 -55.613 1.00 34.87 ? 719 HOH A O 1 HETATM 4357 O O . HOH H 6 . ? 7.225 -7.226 -33.096 1.00 36.08 ? 720 HOH A O 1 HETATM 4358 O O . HOH H 6 . ? -15.316 -23.236 -14.783 1.00 44.52 ? 721 HOH A O 1 HETATM 4359 O O . HOH H 6 . ? -6.360 -9.634 -54.738 1.00 39.75 ? 722 HOH A O 1 HETATM 4360 O O . HOH H 6 . ? 16.454 -18.979 -56.618 1.00 44.46 ? 723 HOH A O 1 HETATM 4361 O O . HOH H 6 . ? -12.870 -19.051 -62.631 1.00 50.52 ? 724 HOH A O 1 HETATM 4362 O O . HOH H 6 . ? -16.898 -29.973 14.034 1.00 42.21 ? 725 HOH A O 1 HETATM 4363 O O . HOH H 6 . ? 2.421 -31.015 -69.028 1.00 35.67 ? 726 HOH A O 1 HETATM 4364 O O . HOH H 6 . ? 11.956 -15.727 -34.939 1.00 39.49 ? 727 HOH A O 1 HETATM 4365 O O . HOH H 6 . ? -0.188 -2.540 -35.250 1.00 35.61 ? 728 HOH A O 1 HETATM 4366 O O . HOH H 6 . ? 6.639 -35.718 -50.315 1.00 35.14 ? 729 HOH A O 1 HETATM 4367 O O . HOH H 6 . ? -9.908 -18.179 -63.207 1.00 44.90 ? 730 HOH A O 1 HETATM 4368 O O . HOH H 6 . ? 9.284 -8.682 -53.676 1.00 34.88 ? 731 HOH A O 1 HETATM 4369 O O . HOH H 6 . ? -15.473 -12.579 -50.602 1.00 31.59 ? 732 HOH A O 1 HETATM 4370 O O . HOH H 6 . ? 3.560 -2.831 -35.651 1.00 35.27 ? 733 HOH A O 1 HETATM 4371 O O . HOH H 6 . ? -17.442 -18.487 -50.776 1.00 38.37 ? 734 HOH A O 1 HETATM 4372 O O . HOH H 6 . ? -15.630 -18.655 9.276 1.00 49.96 ? 735 HOH A O 1 HETATM 4373 O O . HOH H 6 . ? -6.186 -4.428 -44.418 1.00 36.77 ? 736 HOH A O 1 HETATM 4374 O O . HOH H 6 . ? -2.357 -4.333 -20.253 1.00 46.39 ? 737 HOH A O 1 HETATM 4375 O O . HOH H 6 . ? -4.513 -31.986 -66.345 1.00 41.93 ? 738 HOH A O 1 HETATM 4376 O O . HOH H 6 . ? -7.100 -6.535 -37.329 1.00 39.05 ? 739 HOH A O 1 HETATM 4377 O O . HOH H 6 . ? -6.748 -11.801 -55.615 1.00 35.67 ? 740 HOH A O 1 HETATM 4378 O O . HOH H 6 . ? -15.282 -15.977 -62.598 1.00 46.63 ? 741 HOH A O 1 HETATM 4379 O O . HOH H 6 . ? 11.287 -27.773 -43.567 1.00 35.11 ? 742 HOH A O 1 HETATM 4380 O O . HOH H 6 . ? -12.284 -31.987 -2.660 1.00 42.55 ? 743 HOH A O 1 HETATM 4381 O O . HOH H 6 . ? 21.227 -14.913 -52.643 1.00 43.43 ? 744 HOH A O 1 HETATM 4382 O O . HOH H 6 . ? -1.605 -23.541 -31.820 1.00 37.92 ? 745 HOH A O 1 HETATM 4383 O O . HOH H 6 . ? 19.568 -24.259 -45.887 1.00 39.61 ? 746 HOH A O 1 HETATM 4384 O O . HOH H 6 . ? 15.037 -6.169 -61.682 1.00 37.55 ? 747 HOH A O 1 HETATM 4385 O O . HOH H 6 . ? -3.674 -10.147 -13.387 1.00 44.85 ? 748 HOH A O 1 HETATM 4386 O O . HOH H 6 . ? 16.129 -10.425 -39.772 1.00 39.50 ? 749 HOH A O 1 HETATM 4387 O O . HOH H 6 . ? -5.075 -10.742 -59.205 1.00 36.24 ? 750 HOH A O 1 HETATM 4388 O O . HOH H 6 . ? -13.495 -35.224 -67.557 1.00 37.58 ? 751 HOH A O 1 HETATM 4389 O O . HOH H 6 . ? 5.554 -27.570 -34.593 1.00 41.68 ? 752 HOH A O 1 HETATM 4390 O O . HOH H 6 . ? -14.175 -27.972 3.012 1.00 37.59 ? 753 HOH A O 1 HETATM 4391 O O . HOH H 6 . ? -4.500 -35.051 -54.620 1.00 36.61 ? 754 HOH A O 1 HETATM 4392 O O . HOH H 6 . ? 1.931 -35.850 -43.517 1.00 39.83 ? 755 HOH A O 1 HETATM 4393 O O . HOH H 6 . ? 13.259 -13.836 -33.065 1.00 33.98 ? 756 HOH A O 1 HETATM 4394 O O . HOH H 6 . ? -15.452 -13.881 -23.103 1.00 40.99 ? 757 HOH A O 1 HETATM 4395 O O . HOH H 6 . ? -10.628 -10.122 -36.670 1.00 42.12 ? 758 HOH A O 1 HETATM 4396 O O . HOH H 6 . ? -5.639 -4.355 -28.389 1.00 35.01 ? 759 HOH A O 1 HETATM 4397 O O . HOH H 6 . ? -8.543 -31.495 -41.349 1.00 42.10 ? 760 HOH A O 1 HETATM 4398 O O . HOH H 6 . ? -17.868 -14.215 -52.092 1.00 38.07 ? 761 HOH A O 1 HETATM 4399 O O . HOH H 6 . ? 1.555 -3.225 -37.206 1.00 44.13 ? 762 HOH A O 1 HETATM 4400 O O . HOH H 6 . ? -20.102 -17.838 -32.632 1.00 37.18 ? 763 HOH A O 1 HETATM 4401 O O . HOH H 6 . ? -17.011 -12.684 -31.271 1.00 38.10 ? 765 HOH A O 1 HETATM 4402 O O . HOH H 6 . ? -4.220 -2.720 -39.707 1.00 51.64 ? 766 HOH A O 1 HETATM 4403 O O . HOH H 6 . ? -17.692 -9.303 -25.067 1.00 43.75 ? 768 HOH A O 1 HETATM 4404 O O . HOH H 6 . ? 5.441 -17.103 -24.004 1.00 46.10 ? 769 HOH A O 1 HETATM 4405 O O . HOH H 6 . ? 11.489 -12.292 -63.171 1.00 46.03 ? 770 HOH A O 1 HETATM 4406 O O . HOH H 6 . ? -9.337 -8.757 -57.324 1.00 49.33 ? 771 HOH A O 1 HETATM 4407 O O . HOH H 6 . ? -11.905 0.765 -22.414 1.00 39.24 ? 772 HOH A O 1 HETATM 4408 O O . HOH H 6 . ? -8.483 -25.193 -43.934 1.00 35.83 ? 773 HOH A O 1 HETATM 4409 O O . HOH H 6 . ? -17.551 -37.514 -60.205 1.00 37.96 ? 774 HOH A O 1 HETATM 4410 O O . HOH H 6 . ? -2.240 -8.563 -14.659 1.00 52.96 ? 775 HOH A O 1 HETATM 4411 O O . HOH H 6 . ? 6.676 -33.608 -65.127 1.00 38.70 ? 776 HOH A O 1 HETATM 4412 O O . HOH H 6 . ? -18.338 -14.476 -63.361 1.00 48.55 ? 777 HOH A O 1 HETATM 4413 O O . HOH H 6 . ? -14.247 -24.759 -0.752 1.00 44.61 ? 778 HOH A O 1 HETATM 4414 O O . HOH H 6 . ? 11.433 -8.333 -46.114 1.00 40.87 ? 779 HOH A O 1 HETATM 4415 O O . HOH H 6 . ? 12.352 -11.534 -32.175 1.00 36.49 ? 780 HOH A O 1 HETATM 4416 O O . HOH H 6 . ? -15.321 -4.744 -58.193 1.00 41.74 ? 781 HOH A O 1 HETATM 4417 O O . HOH H 6 . ? -10.711 -18.604 11.032 1.00 39.59 ? 782 HOH A O 1 HETATM 4418 O O . HOH H 6 . ? -0.815 -21.854 -18.477 1.00 44.89 ? 783 HOH A O 1 HETATM 4419 O O . HOH H 6 . ? -6.801 -16.737 -68.651 1.00 45.77 ? 784 HOH A O 1 HETATM 4420 O O . HOH H 6 . ? 11.428 -23.675 -61.006 1.00 34.96 ? 785 HOH A O 1 HETATM 4421 O O . HOH I 6 . ? -4.966 -42.339 -38.776 1.00 19.25 ? 176 HOH B O 1 HETATM 4422 O O . HOH I 6 . ? -2.914 -28.711 -33.791 1.00 18.83 ? 177 HOH B O 1 HETATM 4423 O O . HOH I 6 . ? 1.463 -36.640 23.123 1.00 33.97 ? 178 HOH B O 1 HETATM 4424 O O . HOH I 6 . ? -3.721 -17.460 32.995 1.00 49.54 ? 179 HOH B O 1 HETATM 4425 O O . HOH I 6 . ? -1.614 -38.901 -37.829 1.00 19.75 ? 180 HOH B O 1 HETATM 4426 O O . HOH I 6 . ? -8.990 -21.827 36.560 1.00 44.63 ? 181 HOH B O 1 HETATM 4427 O O . HOH I 6 . ? -8.751 -35.902 21.560 1.00 29.12 ? 182 HOH B O 1 HETATM 4428 O O . HOH I 6 . ? -7.031 -32.427 34.975 1.00 31.48 ? 183 HOH B O 1 HETATM 4429 O O . HOH I 6 . ? 3.072 -32.744 18.683 1.00 32.20 ? 184 HOH B O 1 HETATM 4430 O O . HOH I 6 . ? 0.685 -33.066 38.872 1.00 31.33 ? 185 HOH B O 1 HETATM 4431 O O . HOH I 6 . ? -2.805 -41.239 -36.932 1.00 19.90 ? 186 HOH B O 1 HETATM 4432 O O . HOH I 6 . ? -10.069 -25.236 26.540 1.00 31.61 ? 187 HOH B O 1 HETATM 4433 O O . HOH I 6 . ? 7.077 -35.573 37.231 1.00 38.69 ? 188 HOH B O 1 HETATM 4434 O O . HOH I 6 . ? -10.345 -42.263 -41.947 1.00 34.25 ? 189 HOH B O 1 HETATM 4435 O O . HOH I 6 . ? -5.368 -36.964 -41.848 1.00 30.93 ? 190 HOH B O 1 HETATM 4436 O O . HOH I 6 . ? -4.708 -39.710 -41.302 1.00 32.80 ? 191 HOH B O 1 HETATM 4437 O O . HOH I 6 . ? -9.295 -31.659 -33.207 1.00 32.42 ? 192 HOH B O 1 HETATM 4438 O O . HOH I 6 . ? -5.756 -41.418 -14.761 1.00 37.52 ? 193 HOH B O 1 HETATM 4439 O O . HOH I 6 . ? 3.441 -35.819 26.696 1.00 35.16 ? 194 HOH B O 1 HETATM 4440 O O . HOH I 6 . ? -12.763 -29.757 30.536 1.00 30.75 ? 195 HOH B O 1 HETATM 4441 O O . HOH I 6 . ? -13.240 -36.335 -45.299 1.00 42.36 ? 196 HOH B O 1 HETATM 4442 O O . HOH I 6 . ? 5.074 -33.312 27.849 1.00 34.96 ? 197 HOH B O 1 HETATM 4443 O O . HOH I 6 . ? -9.579 -32.785 -0.347 1.00 39.37 ? 198 HOH B O 1 HETATM 4444 O O . HOH I 6 . ? -10.905 -26.107 29.168 1.00 39.05 ? 199 HOH B O 1 HETATM 4445 O O . HOH I 6 . ? -10.040 -38.389 26.066 1.00 36.53 ? 200 HOH B O 1 HETATM 4446 O O . HOH I 6 . ? -2.293 -43.355 -2.734 1.00 41.26 ? 201 HOH B O 1 HETATM 4447 O O . HOH I 6 . ? -7.207 -39.619 13.803 1.00 39.37 ? 202 HOH B O 1 HETATM 4448 O O . HOH I 6 . ? -12.308 -27.501 37.560 1.00 49.70 ? 203 HOH B O 1 HETATM 4449 O O . HOH I 6 . ? -0.768 -14.953 35.981 1.00 44.77 ? 204 HOH B O 1 HETATM 4450 O O . HOH I 6 . ? -11.328 -39.372 -31.302 1.00 26.87 ? 205 HOH B O 1 HETATM 4451 O O . HOH I 6 . ? -0.212 -35.846 13.427 1.00 33.38 ? 206 HOH B O 1 HETATM 4452 O O . HOH I 6 . ? -11.494 -41.772 -39.054 1.00 29.04 ? 208 HOH B O 1 HETATM 4453 O O . HOH I 6 . ? -11.917 -38.937 -28.101 1.00 37.49 ? 209 HOH B O 1 HETATM 4454 O O . HOH I 6 . ? -3.038 -26.285 -32.424 1.00 37.72 ? 211 HOH B O 1 HETATM 4455 O O . HOH I 6 . ? -7.753 -36.052 12.861 1.00 37.37 ? 214 HOH B O 1 HETATM 4456 O O . HOH I 6 . ? -0.013 -40.633 -7.888 0.33 31.84 ? 215 HOH B O 1 HETATM 4457 O O . HOH I 6 . ? 2.986 -28.648 23.475 1.00 37.14 ? 217 HOH B O 1 HETATM 4458 O O . HOH I 6 . ? -8.072 -41.100 -19.365 1.00 37.32 ? 222 HOH B O 1 HETATM 4459 O O . HOH I 6 . ? -14.106 -39.951 -40.281 1.00 38.54 ? 228 HOH B O 1 HETATM 4460 O O . HOH I 6 . ? -4.125 -35.864 41.489 1.00 38.27 ? 231 HOH B O 1 HETATM 4461 O O . HOH I 6 . ? -3.972 -28.454 -17.524 1.00 36.70 ? 232 HOH B O 1 HETATM 4462 O O . HOH I 6 . ? 0.952 -33.196 10.967 1.00 35.49 ? 236 HOH B O 1 HETATM 4463 O O . HOH I 6 . ? -12.395 -42.022 -24.401 1.00 45.32 ? 245 HOH B O 1 HETATM 4464 O O . HOH I 6 . ? -0.499 -26.900 -30.190 1.00 37.86 ? 250 HOH B O 1 HETATM 4465 O O . HOH I 6 . ? -13.020 -27.687 28.827 1.00 38.19 ? 253 HOH B O 1 HETATM 4466 O O . HOH I 6 . ? 3.430 -27.036 20.319 1.00 40.51 ? 256 HOH B O 1 HETATM 4467 O O . HOH I 6 . ? -1.568 -42.813 13.759 1.00 42.45 ? 260 HOH B O 1 HETATM 4468 O O . HOH I 6 . ? 0.620 -16.962 21.314 1.00 58.23 ? 263 HOH B O 1 HETATM 4469 O O . HOH I 6 . ? -13.458 -18.961 27.249 1.00 41.91 ? 265 HOH B O 1 HETATM 4470 O O . HOH I 6 . ? -0.516 -33.633 -25.711 1.00 37.07 ? 272 HOH B O 1 HETATM 4471 O O . HOH I 6 . ? -1.588 -39.381 -40.555 1.00 46.76 ? 275 HOH B O 1 HETATM 4472 O O . HOH I 6 . ? -7.763 -34.828 -28.030 1.00 33.57 ? 276 HOH B O 1 HETATM 4473 O O . HOH I 6 . ? -13.297 -34.099 31.214 1.00 47.42 ? 279 HOH B O 1 HETATM 4474 O O . HOH I 6 . ? -14.793 -31.128 31.725 1.00 47.79 ? 280 HOH B O 1 HETATM 4475 O O . HOH I 6 . ? -4.749 -30.848 -16.692 1.00 35.51 ? 285 HOH B O 1 HETATM 4476 O O . HOH I 6 . ? 2.141 -26.542 -28.246 1.00 53.36 ? 297 HOH B O 1 HETATM 4477 O O . HOH I 6 . ? -7.158 -36.715 -44.013 1.00 38.13 ? 302 HOH B O 1 HETATM 4478 O O . HOH I 6 . ? -8.271 -41.057 -16.282 1.00 41.54 ? 303 HOH B O 1 HETATM 4479 O O . HOH I 6 . ? 5.358 -26.025 34.291 1.00 49.72 ? 308 HOH B O 1 HETATM 4480 O O . HOH I 6 . ? 1.398 -20.122 49.307 1.00 54.38 ? 312 HOH B O 1 HETATM 4481 O O . HOH I 6 . ? -10.531 -36.286 -11.225 1.00 48.73 ? 315 HOH B O 1 HETATM 4482 O O . HOH I 6 . ? -5.613 -13.554 39.450 1.00 51.53 ? 316 HOH B O 1 HETATM 4483 O O . HOH I 6 . ? 5.298 -24.823 51.927 1.00 43.64 ? 318 HOH B O 1 HETATM 4484 O O . HOH I 6 . ? -2.117 -25.283 -24.510 1.00 51.45 ? 323 HOH B O 1 HETATM 4485 O O . HOH I 6 . ? -15.228 -34.672 25.902 1.00 48.00 ? 327 HOH B O 1 HETATM 4486 O O . HOH I 6 . ? -7.770 -34.023 -43.339 1.00 42.06 ? 328 HOH B O 1 HETATM 4487 O O . HOH I 6 . ? 4.007 -30.818 21.457 1.00 39.33 ? 329 HOH B O 1 HETATM 4488 O O . HOH I 6 . ? -5.312 -30.791 -26.437 1.00 54.54 ? 334 HOH B O 1 HETATM 4489 O O . HOH I 6 . ? -10.732 -35.960 -34.681 1.00 42.01 ? 351 HOH B O 1 HETATM 4490 O O . HOH I 6 . ? -11.124 -35.867 -28.187 1.00 49.46 ? 356 HOH B O 1 HETATM 4491 O O . HOH I 6 . ? -18.401 -17.386 18.524 1.00 64.99 ? 357 HOH B O 1 HETATM 4492 O O . HOH I 6 . ? -11.725 -33.992 -1.025 1.00 37.70 ? 358 HOH B O 1 HETATM 4493 O O . HOH I 6 . ? 2.448 -31.348 -19.009 1.00 38.32 ? 361 HOH B O 1 HETATM 4494 O O . HOH I 6 . ? -11.373 -15.226 33.616 1.00 50.35 ? 366 HOH B O 1 HETATM 4495 O O . HOH I 6 . ? -5.057 -37.586 26.666 1.00 44.06 ? 367 HOH B O 1 HETATM 4496 O O . HOH I 6 . ? -8.223 -32.232 -20.047 1.00 45.77 ? 377 HOH B O 1 HETATM 4497 O O . HOH I 6 . ? -2.881 -25.782 -20.165 1.00 42.93 ? 378 HOH B O 1 HETATM 4498 O O . HOH I 6 . ? -2.649 -37.641 33.674 1.00 38.87 ? 379 HOH B O 1 HETATM 4499 O O . HOH I 6 . ? -8.151 -30.643 -22.313 1.00 50.36 ? 381 HOH B O 1 HETATM 4500 O O . HOH I 6 . ? -11.176 -32.651 -40.332 1.00 42.70 ? 384 HOH B O 1 HETATM 4501 O O . HOH I 6 . ? -0.194 -35.613 38.970 1.00 48.42 ? 388 HOH B O 1 HETATM 4502 O O . HOH I 6 . ? -0.995 -39.471 -4.117 1.00 42.31 ? 390 HOH B O 1 HETATM 4503 O O . HOH I 6 . ? -5.985 -41.612 12.561 1.00 46.97 ? 396 HOH B O 1 HETATM 4504 O O . HOH I 6 . ? -13.181 -24.526 35.866 1.00 45.02 ? 402 HOH B O 1 HETATM 4505 O O . HOH I 6 . ? -12.548 -37.790 27.515 1.00 45.29 ? 404 HOH B O 1 HETATM 4506 O O . HOH I 6 . ? -11.147 -37.588 31.718 1.00 39.77 ? 409 HOH B O 1 HETATM 4507 O O . HOH I 6 . ? -0.750 -37.652 -43.134 1.00 55.63 ? 411 HOH B O 1 HETATM 4508 O O . HOH I 6 . ? -4.679 -40.096 6.874 1.00 52.06 ? 412 HOH B O 1 HETATM 4509 O O . HOH I 6 . ? -15.445 -38.510 -38.254 1.00 43.97 ? 414 HOH B O 1 HETATM 4510 O O . HOH I 6 . ? 2.828 -27.122 -21.099 1.00 51.98 ? 419 HOH B O 1 HETATM 4511 O O . HOH I 6 . ? 2.713 -18.453 8.144 1.00 45.92 ? 422 HOH B O 1 HETATM 4512 O O . HOH I 6 . ? -3.200 -38.113 12.464 1.00 40.72 ? 423 HOH B O 1 HETATM 4513 O O . HOH I 6 . ? 0.242 -25.842 -21.653 1.00 53.28 ? 431 HOH B O 1 HETATM 4514 O O . HOH I 6 . ? -2.727 -31.856 -26.584 1.00 45.00 ? 432 HOH B O 1 HETATM 4515 O O . HOH I 6 . ? -8.538 -40.203 16.218 1.00 47.75 ? 433 HOH B O 1 HETATM 4516 O O . HOH I 6 . ? -10.847 -34.187 18.940 1.00 39.36 ? 444 HOH B O 1 HETATM 4517 O O . HOH I 6 . ? 2.045 -38.040 47.129 1.00 43.32 ? 448 HOH B O 1 HETATM 4518 O O . HOH I 6 . ? 8.471 -24.630 53.842 1.00 45.97 ? 450 HOH B O 1 HETATM 4519 O O . HOH I 6 . ? -5.500 -25.595 -30.648 1.00 53.35 ? 454 HOH B O 1 HETATM 4520 O O . HOH I 6 . ? -11.443 -33.568 -33.603 1.00 46.92 ? 456 HOH B O 1 HETATM 4521 O O . HOH I 6 . ? 7.570 -25.832 51.586 1.00 52.58 ? 462 HOH B O 1 HETATM 4522 O O . HOH I 6 . ? 1.600 -40.673 33.856 1.00 48.09 ? 468 HOH B O 1 HETATM 4523 O O . HOH I 6 . ? -17.185 -29.675 30.069 1.00 58.13 ? 475 HOH B O 1 HETATM 4524 O O . HOH I 6 . ? 10.054 -26.163 37.801 1.00 56.35 ? 476 HOH B O 1 HETATM 4525 O O . HOH I 6 . ? 3.249 -29.749 -17.216 1.00 57.49 ? 483 HOH B O 1 HETATM 4526 O O . HOH I 6 . ? 7.601 -30.609 33.436 1.00 41.96 ? 485 HOH B O 1 HETATM 4527 O O . HOH I 6 . ? -6.747 -42.164 8.801 1.00 41.70 ? 496 HOH B O 1 HETATM 4528 O O . HOH I 6 . ? 3.518 -17.707 46.473 1.00 52.12 ? 500 HOH B O 1 HETATM 4529 O O . HOH I 6 . ? 6.162 -33.729 30.185 1.00 42.52 ? 504 HOH B O 1 HETATM 4530 O O . HOH I 6 . ? -5.631 -38.750 38.029 1.00 45.20 ? 508 HOH B O 1 HETATM 4531 O O . HOH I 6 . ? -7.167 -33.095 -46.063 1.00 41.55 ? 512 HOH B O 1 HETATM 4532 O O . HOH I 6 . ? 9.117 -30.016 39.522 1.00 39.28 ? 515 HOH B O 1 HETATM 4533 O O . HOH I 6 . ? -8.637 -39.345 -47.023 1.00 45.28 ? 516 HOH B O 1 HETATM 4534 O O . HOH I 6 . ? 1.645 -36.969 37.707 1.00 43.57 ? 524 HOH B O 1 HETATM 4535 O O . HOH I 6 . ? 12.533 -19.617 44.020 1.00 56.95 ? 528 HOH B O 1 HETATM 4536 O O . HOH I 6 . ? 1.628 -17.915 29.567 1.00 54.49 ? 530 HOH B O 1 HETATM 4537 O O . HOH I 6 . ? -1.042 -20.870 7.815 1.00 54.62 ? 537 HOH B O 1 HETATM 4538 O O . HOH I 6 . ? 4.808 -27.643 -15.281 1.00 63.29 ? 545 HOH B O 1 HETATM 4539 O O . HOH I 6 . ? 11.520 -31.705 46.976 1.00 51.70 ? 550 HOH B O 1 HETATM 4540 O O . HOH I 6 . ? 8.892 -28.686 32.110 1.00 50.46 ? 551 HOH B O 1 HETATM 4541 O O . HOH I 6 . ? -4.370 -18.098 16.869 1.00 45.41 ? 555 HOH B O 1 HETATM 4542 O O . HOH I 6 . ? 4.771 -34.736 48.784 1.00 50.97 ? 560 HOH B O 1 HETATM 4543 O O . HOH I 6 . ? -12.589 -36.857 35.142 1.00 59.01 ? 563 HOH B O 1 HETATM 4544 O O . HOH I 6 . ? 8.281 -35.735 46.662 1.00 62.43 ? 564 HOH B O 1 HETATM 4545 O O . HOH I 6 . ? -15.596 -38.710 -21.841 1.00 59.31 ? 565 HOH B O 1 HETATM 4546 O O . HOH I 6 . ? -16.016 -32.759 24.300 1.00 49.82 ? 569 HOH B O 1 HETATM 4547 O O . HOH I 6 . ? -13.164 -35.234 -10.621 1.00 52.51 ? 572 HOH B O 1 HETATM 4548 O O . HOH I 6 . ? 6.607 -28.214 14.786 1.00 61.09 ? 575 HOH B O 1 HETATM 4549 O O . HOH I 6 . ? -18.584 -14.871 19.453 1.00 60.20 ? 577 HOH B O 1 HETATM 4550 O O . HOH I 6 . ? -13.234 -34.369 -7.511 1.00 52.48 ? 579 HOH B O 1 HETATM 4551 O O . HOH I 6 . ? 0.000 -40.695 14.483 0.33 34.70 ? 581 HOH B O 1 HETATM 4552 O O . HOH I 6 . ? -5.639 -32.484 -18.768 1.00 47.09 ? 583 HOH B O 1 HETATM 4553 O O . HOH I 6 . ? 2.344 -27.163 -14.396 1.00 71.19 ? 584 HOH B O 1 HETATM 4554 O O . HOH I 6 . ? -1.724 -18.222 16.471 1.00 51.29 ? 586 HOH B O 1 HETATM 4555 O O . HOH I 6 . ? 4.971 -22.776 -1.207 1.00 56.90 ? 589 HOH B O 1 HETATM 4556 O O . HOH I 6 . ? 3.935 -31.970 48.578 1.00 58.05 ? 596 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 LEU 223 226 226 LEU LEU 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 ? ? ? A . n A 1 324 ILE 324 326 ? ? ? 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 5 PEG 1 175 175 PEG PEG B . H 6 HOH 1 2 2 HOH HOH A . H 6 HOH 2 3 3 HOH HOH A . H 6 HOH 3 4 4 HOH HOH A . H 6 HOH 4 5 5 HOH HOH A . H 6 HOH 5 6 6 HOH HOH A . H 6 HOH 6 7 7 HOH HOH A . H 6 HOH 7 8 8 HOH HOH A . H 6 HOH 8 124 124 HOH HOH A . H 6 HOH 9 333 333 HOH HOH A . H 6 HOH 10 334 334 HOH HOH A . H 6 HOH 11 335 335 HOH HOH A . H 6 HOH 12 336 336 HOH HOH A . H 6 HOH 13 337 337 HOH HOH A . H 6 HOH 14 338 338 HOH HOH A . H 6 HOH 15 339 339 HOH HOH A . H 6 HOH 16 340 340 HOH HOH A . H 6 HOH 17 341 341 HOH HOH A . H 6 HOH 18 342 342 HOH HOH A . H 6 HOH 19 343 343 HOH HOH A . H 6 HOH 20 344 344 HOH HOH A . H 6 HOH 21 345 345 HOH HOH A . H 6 HOH 22 346 346 HOH HOH A . H 6 HOH 23 347 347 HOH HOH A . H 6 HOH 24 348 348 HOH HOH A . H 6 HOH 25 349 349 HOH HOH A . H 6 HOH 26 350 350 HOH HOH A . H 6 HOH 27 351 351 HOH HOH A . H 6 HOH 28 352 352 HOH HOH A . H 6 HOH 29 353 353 HOH HOH A . H 6 HOH 30 355 355 HOH HOH A . H 6 HOH 31 356 356 HOH HOH A . H 6 HOH 32 357 357 HOH HOH A . H 6 HOH 33 358 358 HOH HOH A . H 6 HOH 34 359 359 HOH HOH A . H 6 HOH 35 361 361 HOH HOH A . H 6 HOH 36 362 362 HOH HOH A . H 6 HOH 37 363 363 HOH HOH A . H 6 HOH 38 364 364 HOH HOH A . H 6 HOH 39 365 365 HOH HOH A . H 6 HOH 40 366 366 HOH HOH A . H 6 HOH 41 367 367 HOH HOH A . H 6 HOH 42 368 368 HOH HOH A . H 6 HOH 43 369 369 HOH HOH A . H 6 HOH 44 370 370 HOH HOH A . H 6 HOH 45 371 371 HOH HOH A . H 6 HOH 46 372 372 HOH HOH A . H 6 HOH 47 373 373 HOH HOH A . H 6 HOH 48 374 374 HOH HOH A . H 6 HOH 49 375 375 HOH HOH A . H 6 HOH 50 376 376 HOH HOH A . H 6 HOH 51 377 377 HOH HOH A . H 6 HOH 52 378 378 HOH HOH A . H 6 HOH 53 379 379 HOH HOH A . H 6 HOH 54 380 380 HOH HOH A . H 6 HOH 55 381 381 HOH HOH A . H 6 HOH 56 382 382 HOH HOH A . H 6 HOH 57 383 383 HOH HOH A . H 6 HOH 58 384 384 HOH HOH A . H 6 HOH 59 385 385 HOH HOH A . H 6 HOH 60 386 386 HOH HOH A . H 6 HOH 61 387 387 HOH HOH A . H 6 HOH 62 388 388 HOH HOH A . H 6 HOH 63 389 389 HOH HOH A . H 6 HOH 64 390 390 HOH HOH A . H 6 HOH 65 391 391 HOH HOH A . H 6 HOH 66 392 392 HOH HOH A . H 6 HOH 67 393 393 HOH HOH A . H 6 HOH 68 394 394 HOH HOH A . H 6 HOH 69 395 395 HOH HOH A . H 6 HOH 70 396 396 HOH HOH A . H 6 HOH 71 397 397 HOH HOH A . H 6 HOH 72 398 398 HOH HOH A . H 6 HOH 73 399 399 HOH HOH A . H 6 HOH 74 400 400 HOH HOH A . H 6 HOH 75 401 401 HOH HOH A . H 6 HOH 76 402 402 HOH HOH A . H 6 HOH 77 403 403 HOH HOH A . H 6 HOH 78 404 404 HOH HOH A . H 6 HOH 79 405 405 HOH HOH A . H 6 HOH 80 406 406 HOH HOH A . H 6 HOH 81 407 407 HOH HOH A . H 6 HOH 82 408 408 HOH HOH A . H 6 HOH 83 409 409 HOH HOH A . H 6 HOH 84 410 410 HOH HOH A . H 6 HOH 85 412 412 HOH HOH A . H 6 HOH 86 413 413 HOH HOH A . H 6 HOH 87 414 414 HOH HOH A . H 6 HOH 88 415 415 HOH HOH A . H 6 HOH 89 416 416 HOH HOH A . H 6 HOH 90 417 417 HOH HOH A . H 6 HOH 91 418 418 HOH HOH A . H 6 HOH 92 419 419 HOH HOH A . H 6 HOH 93 420 420 HOH HOH A . H 6 HOH 94 421 421 HOH HOH A . H 6 HOH 95 422 422 HOH HOH A . H 6 HOH 96 423 423 HOH HOH A . H 6 HOH 97 424 424 HOH HOH A . H 6 HOH 98 425 425 HOH HOH A . H 6 HOH 99 426 426 HOH HOH A . H 6 HOH 100 427 427 HOH HOH A . H 6 HOH 101 428 428 HOH HOH A . H 6 HOH 102 429 429 HOH HOH A . H 6 HOH 103 430 430 HOH HOH A . H 6 HOH 104 431 431 HOH HOH A . H 6 HOH 105 432 432 HOH HOH A . H 6 HOH 106 433 433 HOH HOH A . H 6 HOH 107 434 434 HOH HOH A . H 6 HOH 108 435 435 HOH HOH A . H 6 HOH 109 436 436 HOH HOH A . H 6 HOH 110 437 437 HOH HOH A . H 6 HOH 111 438 438 HOH HOH A . H 6 HOH 112 439 439 HOH HOH A . H 6 HOH 113 440 440 HOH HOH A . H 6 HOH 114 441 441 HOH HOH A . H 6 HOH 115 442 442 HOH HOH A . H 6 HOH 116 443 443 HOH HOH A . H 6 HOH 117 444 444 HOH HOH A . H 6 HOH 118 445 445 HOH HOH A . H 6 HOH 119 446 446 HOH HOH A . H 6 HOH 120 447 447 HOH HOH A . H 6 HOH 121 448 448 HOH HOH A . H 6 HOH 122 449 449 HOH HOH A . H 6 HOH 123 450 450 HOH HOH A . H 6 HOH 124 452 452 HOH HOH A . H 6 HOH 125 453 453 HOH HOH A . H 6 HOH 126 455 455 HOH HOH A . H 6 HOH 127 456 456 HOH HOH A . H 6 HOH 128 457 457 HOH HOH A . H 6 HOH 129 458 458 HOH HOH A . H 6 HOH 130 459 459 HOH HOH A . H 6 HOH 131 460 460 HOH HOH A . H 6 HOH 132 461 461 HOH HOH A . H 6 HOH 133 462 462 HOH HOH A . H 6 HOH 134 463 463 HOH HOH A . H 6 HOH 135 464 464 HOH HOH A . H 6 HOH 136 465 465 HOH HOH A . H 6 HOH 137 466 466 HOH HOH A . H 6 HOH 138 467 467 HOH HOH A . H 6 HOH 139 468 468 HOH HOH A . H 6 HOH 140 469 469 HOH HOH A . H 6 HOH 141 470 470 HOH HOH A . H 6 HOH 142 471 471 HOH HOH A . H 6 HOH 143 472 472 HOH HOH A . H 6 HOH 144 473 473 HOH HOH A . H 6 HOH 145 474 474 HOH HOH A . H 6 HOH 146 475 475 HOH HOH A . H 6 HOH 147 476 476 HOH HOH A . H 6 HOH 148 477 477 HOH HOH A . H 6 HOH 149 478 478 HOH HOH A . H 6 HOH 150 479 479 HOH HOH A . H 6 HOH 151 480 480 HOH HOH A . H 6 HOH 152 481 481 HOH HOH A . H 6 HOH 153 482 482 HOH HOH A . H 6 HOH 154 483 483 HOH HOH A . H 6 HOH 155 484 484 HOH HOH A . H 6 HOH 156 485 485 HOH HOH A . H 6 HOH 157 486 486 HOH HOH A . H 6 HOH 158 487 487 HOH HOH A . H 6 HOH 159 489 489 HOH HOH A . H 6 HOH 160 490 490 HOH HOH A . H 6 HOH 161 491 491 HOH HOH A . H 6 HOH 162 492 492 HOH HOH A . H 6 HOH 163 493 493 HOH HOH A . H 6 HOH 164 494 494 HOH HOH A . H 6 HOH 165 495 495 HOH HOH A . H 6 HOH 166 496 496 HOH HOH A . H 6 HOH 167 497 497 HOH HOH A . H 6 HOH 168 498 498 HOH HOH A . H 6 HOH 169 499 499 HOH HOH A . H 6 HOH 170 500 500 HOH HOH A . H 6 HOH 171 501 501 HOH HOH A . H 6 HOH 172 502 502 HOH HOH A . H 6 HOH 173 503 503 HOH HOH A . H 6 HOH 174 504 504 HOH HOH A . H 6 HOH 175 506 506 HOH HOH A . H 6 HOH 176 507 507 HOH HOH A . H 6 HOH 177 508 508 HOH HOH A . H 6 HOH 178 509 509 HOH HOH A . H 6 HOH 179 510 510 HOH HOH A . H 6 HOH 180 511 511 HOH HOH A . H 6 HOH 181 512 512 HOH HOH A . H 6 HOH 182 513 513 HOH HOH A . H 6 HOH 183 514 514 HOH HOH A . H 6 HOH 184 515 515 HOH HOH A . H 6 HOH 185 516 516 HOH HOH A . H 6 HOH 186 517 517 HOH HOH A . H 6 HOH 187 518 518 HOH HOH A . H 6 HOH 188 519 519 HOH HOH A . H 6 HOH 189 520 520 HOH HOH A . H 6 HOH 190 521 521 HOH HOH A . H 6 HOH 191 522 522 HOH HOH A . H 6 HOH 192 523 523 HOH HOH A . H 6 HOH 193 524 524 HOH HOH A . H 6 HOH 194 525 525 HOH HOH A . H 6 HOH 195 526 526 HOH HOH A . H 6 HOH 196 528 528 HOH HOH A . H 6 HOH 197 529 529 HOH HOH A . H 6 HOH 198 530 530 HOH HOH A . H 6 HOH 199 531 531 HOH HOH A . H 6 HOH 200 532 532 HOH HOH A . H 6 HOH 201 533 533 HOH HOH A . H 6 HOH 202 534 534 HOH HOH A . H 6 HOH 203 535 535 HOH HOH A . H 6 HOH 204 536 536 HOH HOH A . H 6 HOH 205 538 538 HOH HOH A . H 6 HOH 206 539 539 HOH HOH A . H 6 HOH 207 540 540 HOH HOH A . H 6 HOH 208 541 541 HOH HOH A . H 6 HOH 209 542 542 HOH HOH A . H 6 HOH 210 543 543 HOH HOH A . H 6 HOH 211 544 544 HOH HOH A . H 6 HOH 212 545 545 HOH HOH A . H 6 HOH 213 547 547 HOH HOH A . H 6 HOH 214 548 548 HOH HOH A . H 6 HOH 215 549 549 HOH HOH A . H 6 HOH 216 550 550 HOH HOH A . H 6 HOH 217 551 551 HOH HOH A . H 6 HOH 218 553 553 HOH HOH A . H 6 HOH 219 554 554 HOH HOH A . H 6 HOH 220 555 555 HOH HOH A . H 6 HOH 221 556 556 HOH HOH A . H 6 HOH 222 557 557 HOH HOH A . H 6 HOH 223 558 558 HOH HOH A . H 6 HOH 224 559 559 HOH HOH A . H 6 HOH 225 560 560 HOH HOH A . H 6 HOH 226 561 561 HOH HOH A . H 6 HOH 227 562 562 HOH HOH A . H 6 HOH 228 563 563 HOH HOH A . H 6 HOH 229 564 564 HOH HOH A . H 6 HOH 230 565 565 HOH HOH A . H 6 HOH 231 566 566 HOH HOH A . H 6 HOH 232 567 567 HOH HOH A . H 6 HOH 233 568 568 HOH HOH A . H 6 HOH 234 569 569 HOH HOH A . H 6 HOH 235 570 570 HOH HOH A . H 6 HOH 236 571 571 HOH HOH A . H 6 HOH 237 572 572 HOH HOH A . H 6 HOH 238 573 573 HOH HOH A . H 6 HOH 239 574 574 HOH HOH A . H 6 HOH 240 575 575 HOH HOH A . H 6 HOH 241 576 576 HOH HOH A . H 6 HOH 242 577 577 HOH HOH A . H 6 HOH 243 578 578 HOH HOH A . H 6 HOH 244 579 579 HOH HOH A . H 6 HOH 245 580 580 HOH HOH A . H 6 HOH 246 581 581 HOH HOH A . H 6 HOH 247 583 583 HOH HOH A . H 6 HOH 248 584 584 HOH HOH A . H 6 HOH 249 585 585 HOH HOH A . H 6 HOH 250 586 586 HOH HOH A . H 6 HOH 251 587 587 HOH HOH A . H 6 HOH 252 588 588 HOH HOH A . H 6 HOH 253 589 589 HOH HOH A . H 6 HOH 254 590 590 HOH HOH A . H 6 HOH 255 591 591 HOH HOH A . H 6 HOH 256 593 593 HOH HOH A . H 6 HOH 257 594 594 HOH HOH A . H 6 HOH 258 596 596 HOH HOH A . H 6 HOH 259 597 597 HOH HOH A . H 6 HOH 260 598 598 HOH HOH A . H 6 HOH 261 599 599 HOH HOH A . H 6 HOH 262 600 600 HOH HOH A . H 6 HOH 263 601 601 HOH HOH A . H 6 HOH 264 602 602 HOH HOH A . H 6 HOH 265 603 603 HOH HOH A . H 6 HOH 266 604 604 HOH HOH A . H 6 HOH 267 605 605 HOH HOH A . H 6 HOH 268 606 606 HOH HOH A . H 6 HOH 269 607 607 HOH HOH A . H 6 HOH 270 608 608 HOH HOH A . H 6 HOH 271 610 610 HOH HOH A . H 6 HOH 272 611 611 HOH HOH A . H 6 HOH 273 612 612 HOH HOH A . H 6 HOH 274 613 613 HOH HOH A . H 6 HOH 275 614 614 HOH HOH A . H 6 HOH 276 615 615 HOH HOH A . H 6 HOH 277 616 616 HOH HOH A . H 6 HOH 278 617 617 HOH HOH A . H 6 HOH 279 618 618 HOH HOH A . H 6 HOH 280 619 619 HOH HOH A . H 6 HOH 281 620 620 HOH HOH A . H 6 HOH 282 621 621 HOH HOH A . H 6 HOH 283 622 622 HOH HOH A . H 6 HOH 284 623 623 HOH HOH A . H 6 HOH 285 624 624 HOH HOH A . H 6 HOH 286 625 625 HOH HOH A . H 6 HOH 287 626 626 HOH HOH A . H 6 HOH 288 627 627 HOH HOH A . H 6 HOH 289 628 628 HOH HOH A . H 6 HOH 290 629 629 HOH HOH A . H 6 HOH 291 630 630 HOH HOH A . H 6 HOH 292 631 631 HOH HOH A . H 6 HOH 293 632 632 HOH HOH A . H 6 HOH 294 633 633 HOH HOH A . H 6 HOH 295 634 634 HOH HOH A . H 6 HOH 296 635 635 HOH HOH A . H 6 HOH 297 636 636 HOH HOH A . H 6 HOH 298 637 637 HOH HOH A . H 6 HOH 299 638 638 HOH HOH A . H 6 HOH 300 639 639 HOH HOH A . H 6 HOH 301 640 640 HOH HOH A . H 6 HOH 302 641 641 HOH HOH A . H 6 HOH 303 642 642 HOH HOH A . H 6 HOH 304 643 643 HOH HOH A . H 6 HOH 305 644 644 HOH HOH A . H 6 HOH 306 645 645 HOH HOH A . H 6 HOH 307 646 646 HOH HOH A . H 6 HOH 308 647 647 HOH HOH A . H 6 HOH 309 648 648 HOH HOH A . H 6 HOH 310 649 649 HOH HOH A . H 6 HOH 311 650 650 HOH HOH A . H 6 HOH 312 651 651 HOH HOH A . H 6 HOH 313 652 652 HOH HOH A . H 6 HOH 314 653 653 HOH HOH A . H 6 HOH 315 654 654 HOH HOH A . H 6 HOH 316 655 655 HOH HOH A . H 6 HOH 317 656 656 HOH HOH A . H 6 HOH 318 657 657 HOH HOH A . H 6 HOH 319 658 658 HOH HOH A . H 6 HOH 320 659 659 HOH HOH A . H 6 HOH 321 660 660 HOH HOH A . H 6 HOH 322 661 661 HOH HOH A . H 6 HOH 323 662 662 HOH HOH A . H 6 HOH 324 663 663 HOH HOH A . H 6 HOH 325 664 664 HOH HOH A . H 6 HOH 326 665 665 HOH HOH A . H 6 HOH 327 666 666 HOH HOH A . H 6 HOH 328 667 667 HOH HOH A . H 6 HOH 329 668 668 HOH HOH A . H 6 HOH 330 669 669 HOH HOH A . H 6 HOH 331 670 670 HOH HOH A . H 6 HOH 332 671 671 HOH HOH A . H 6 HOH 333 672 672 HOH HOH A . H 6 HOH 334 673 673 HOH HOH A . H 6 HOH 335 674 674 HOH HOH A . H 6 HOH 336 675 675 HOH HOH A . H 6 HOH 337 676 676 HOH HOH A . H 6 HOH 338 677 677 HOH HOH A . H 6 HOH 339 678 678 HOH HOH A . H 6 HOH 340 679 679 HOH HOH A . H 6 HOH 341 680 680 HOH HOH A . H 6 HOH 342 681 681 HOH HOH A . H 6 HOH 343 682 682 HOH HOH A . H 6 HOH 344 683 683 HOH HOH A . H 6 HOH 345 684 684 HOH HOH A . H 6 HOH 346 685 685 HOH HOH A . H 6 HOH 347 686 686 HOH HOH A . H 6 HOH 348 687 687 HOH HOH A . H 6 HOH 349 688 688 HOH HOH A . H 6 HOH 350 689 689 HOH HOH A . H 6 HOH 351 690 690 HOH HOH A . H 6 HOH 352 691 691 HOH HOH A . H 6 HOH 353 692 692 HOH HOH A . H 6 HOH 354 693 693 HOH HOH A . H 6 HOH 355 694 694 HOH HOH A . H 6 HOH 356 695 695 HOH HOH A . H 6 HOH 357 696 696 HOH HOH A . H 6 HOH 358 697 697 HOH HOH A . H 6 HOH 359 698 698 HOH HOH A . H 6 HOH 360 699 699 HOH HOH A . H 6 HOH 361 700 700 HOH HOH A . H 6 HOH 362 701 701 HOH HOH A . H 6 HOH 363 702 702 HOH HOH A . H 6 HOH 364 703 703 HOH HOH A . H 6 HOH 365 704 704 HOH HOH A . H 6 HOH 366 705 705 HOH HOH A . H 6 HOH 367 706 706 HOH HOH A . H 6 HOH 368 707 707 HOH HOH A . H 6 HOH 369 708 708 HOH HOH A . H 6 HOH 370 709 709 HOH HOH A . H 6 HOH 371 710 710 HOH HOH A . H 6 HOH 372 711 711 HOH HOH A . H 6 HOH 373 712 712 HOH HOH A . H 6 HOH 374 713 713 HOH HOH A . H 6 HOH 375 714 714 HOH HOH A . H 6 HOH 376 715 715 HOH HOH A . H 6 HOH 377 716 716 HOH HOH A . H 6 HOH 378 717 717 HOH HOH A . H 6 HOH 379 718 718 HOH HOH A . H 6 HOH 380 719 719 HOH HOH A . H 6 HOH 381 720 720 HOH HOH A . H 6 HOH 382 721 721 HOH HOH A . H 6 HOH 383 722 722 HOH HOH A . H 6 HOH 384 723 723 HOH HOH A . H 6 HOH 385 724 724 HOH HOH A . H 6 HOH 386 725 725 HOH HOH A . H 6 HOH 387 726 726 HOH HOH A . H 6 HOH 388 727 727 HOH HOH A . H 6 HOH 389 728 728 HOH HOH A . H 6 HOH 390 729 729 HOH HOH A . H 6 HOH 391 730 730 HOH HOH A . H 6 HOH 392 731 731 HOH HOH A . H 6 HOH 393 732 732 HOH HOH A . H 6 HOH 394 733 733 HOH HOH A . H 6 HOH 395 734 734 HOH HOH A . H 6 HOH 396 735 735 HOH HOH A . H 6 HOH 397 736 736 HOH HOH A . H 6 HOH 398 737 737 HOH HOH A . H 6 HOH 399 738 738 HOH HOH A . H 6 HOH 400 739 739 HOH HOH A . H 6 HOH 401 740 740 HOH HOH A . H 6 HOH 402 741 741 HOH HOH A . H 6 HOH 403 742 742 HOH HOH A . H 6 HOH 404 743 743 HOH HOH A . H 6 HOH 405 744 744 HOH HOH A . H 6 HOH 406 745 745 HOH HOH A . H 6 HOH 407 746 746 HOH HOH A . H 6 HOH 408 747 747 HOH HOH A . H 6 HOH 409 748 748 HOH HOH A . H 6 HOH 410 749 749 HOH HOH A . H 6 HOH 411 750 750 HOH HOH A . H 6 HOH 412 751 751 HOH HOH A . H 6 HOH 413 752 752 HOH HOH A . H 6 HOH 414 753 753 HOH HOH A . H 6 HOH 415 754 754 HOH HOH A . H 6 HOH 416 755 755 HOH HOH A . H 6 HOH 417 756 756 HOH HOH A . H 6 HOH 418 757 757 HOH HOH A . H 6 HOH 419 758 758 HOH HOH A . H 6 HOH 420 759 759 HOH HOH A . H 6 HOH 421 760 760 HOH HOH A . H 6 HOH 422 761 761 HOH HOH A . H 6 HOH 423 762 762 HOH HOH A . H 6 HOH 424 763 763 HOH HOH A . H 6 HOH 425 765 765 HOH HOH A . H 6 HOH 426 766 766 HOH HOH A . H 6 HOH 427 768 768 HOH HOH A . H 6 HOH 428 769 769 HOH HOH A . H 6 HOH 429 770 770 HOH HOH A . H 6 HOH 430 771 771 HOH HOH A . H 6 HOH 431 772 772 HOH HOH A . H 6 HOH 432 773 773 HOH HOH A . H 6 HOH 433 774 774 HOH HOH A . H 6 HOH 434 775 775 HOH HOH A . H 6 HOH 435 776 776 HOH HOH A . H 6 HOH 436 777 777 HOH HOH A . H 6 HOH 437 778 778 HOH HOH A . H 6 HOH 438 779 779 HOH HOH A . H 6 HOH 439 780 780 HOH HOH A . H 6 HOH 440 781 781 HOH HOH A . H 6 HOH 441 782 782 HOH HOH A . H 6 HOH 442 783 783 HOH HOH A . H 6 HOH 443 784 784 HOH HOH A . H 6 HOH 444 785 785 HOH HOH A . I 6 HOH 1 176 176 HOH HOH B . I 6 HOH 2 177 177 HOH HOH B . I 6 HOH 3 178 178 HOH HOH B . I 6 HOH 4 179 179 HOH HOH B . I 6 HOH 5 180 180 HOH HOH B . I 6 HOH 6 181 181 HOH HOH B . I 6 HOH 7 182 182 HOH HOH B . I 6 HOH 8 183 183 HOH HOH B . I 6 HOH 9 184 184 HOH HOH B . I 6 HOH 10 185 185 HOH HOH B . I 6 HOH 11 186 186 HOH HOH B . I 6 HOH 12 187 187 HOH HOH B . I 6 HOH 13 188 188 HOH HOH B . I 6 HOH 14 189 189 HOH HOH B . I 6 HOH 15 190 190 HOH HOH B . I 6 HOH 16 191 191 HOH HOH B . I 6 HOH 17 192 192 HOH HOH B . I 6 HOH 18 193 193 HOH HOH B . I 6 HOH 19 194 194 HOH HOH B . I 6 HOH 20 195 195 HOH HOH B . I 6 HOH 21 196 196 HOH HOH B . I 6 HOH 22 197 197 HOH HOH B . I 6 HOH 23 198 198 HOH HOH B . I 6 HOH 24 199 199 HOH HOH B . I 6 HOH 25 200 200 HOH HOH B . I 6 HOH 26 201 201 HOH HOH B . I 6 HOH 27 202 202 HOH HOH B . I 6 HOH 28 203 203 HOH HOH B . I 6 HOH 29 204 204 HOH HOH B . I 6 HOH 30 205 205 HOH HOH B . I 6 HOH 31 206 206 HOH HOH B . I 6 HOH 32 208 208 HOH HOH B . I 6 HOH 33 209 209 HOH HOH B . I 6 HOH 34 211 211 HOH HOH B . I 6 HOH 35 214 214 HOH HOH B . I 6 HOH 36 215 215 HOH HOH B . I 6 HOH 37 217 217 HOH HOH B . I 6 HOH 38 222 222 HOH HOH B . I 6 HOH 39 228 228 HOH HOH B . I 6 HOH 40 231 231 HOH HOH B . I 6 HOH 41 232 232 HOH HOH B . I 6 HOH 42 236 236 HOH HOH B . I 6 HOH 43 245 245 HOH HOH B . I 6 HOH 44 250 250 HOH HOH B . I 6 HOH 45 253 253 HOH HOH B . I 6 HOH 46 256 256 HOH HOH B . I 6 HOH 47 260 260 HOH HOH B . I 6 HOH 48 263 263 HOH HOH B . I 6 HOH 49 265 265 HOH HOH B . I 6 HOH 50 272 272 HOH HOH B . I 6 HOH 51 275 275 HOH HOH B . I 6 HOH 52 276 276 HOH HOH B . I 6 HOH 53 279 279 HOH HOH B . I 6 HOH 54 280 280 HOH HOH B . I 6 HOH 55 285 285 HOH HOH B . I 6 HOH 56 297 297 HOH HOH B . I 6 HOH 57 302 302 HOH HOH B . I 6 HOH 58 303 303 HOH HOH B . I 6 HOH 59 308 308 HOH HOH B . I 6 HOH 60 312 312 HOH HOH B . I 6 HOH 61 315 315 HOH HOH B . I 6 HOH 62 316 316 HOH HOH B . I 6 HOH 63 318 318 HOH HOH B . I 6 HOH 64 323 323 HOH HOH B . I 6 HOH 65 327 327 HOH HOH B . I 6 HOH 66 328 328 HOH HOH B . I 6 HOH 67 329 329 HOH HOH B . I 6 HOH 68 334 334 HOH HOH B . I 6 HOH 69 351 351 HOH HOH B . I 6 HOH 70 356 356 HOH HOH B . I 6 HOH 71 357 357 HOH HOH B . I 6 HOH 72 358 358 HOH HOH B . I 6 HOH 73 361 361 HOH HOH B . I 6 HOH 74 366 366 HOH HOH B . I 6 HOH 75 367 367 HOH HOH B . I 6 HOH 76 377 377 HOH HOH B . I 6 HOH 77 378 378 HOH HOH B . I 6 HOH 78 379 379 HOH HOH B . I 6 HOH 79 381 381 HOH HOH B . I 6 HOH 80 384 384 HOH HOH B . I 6 HOH 81 388 388 HOH HOH B . I 6 HOH 82 390 390 HOH HOH B . I 6 HOH 83 396 396 HOH HOH B . I 6 HOH 84 402 402 HOH HOH B . I 6 HOH 85 404 404 HOH HOH B . I 6 HOH 86 409 409 HOH HOH B . I 6 HOH 87 411 411 HOH HOH B . I 6 HOH 88 412 412 HOH HOH B . I 6 HOH 89 414 414 HOH HOH B . I 6 HOH 90 419 419 HOH HOH B . I 6 HOH 91 422 422 HOH HOH B . I 6 HOH 92 423 423 HOH HOH B . I 6 HOH 93 431 431 HOH HOH B . I 6 HOH 94 432 432 HOH HOH B . I 6 HOH 95 433 433 HOH HOH B . I 6 HOH 96 444 444 HOH HOH B . I 6 HOH 97 448 448 HOH HOH B . I 6 HOH 98 450 450 HOH HOH B . I 6 HOH 99 454 454 HOH HOH B . I 6 HOH 100 456 456 HOH HOH B . I 6 HOH 101 462 462 HOH HOH B . I 6 HOH 102 468 468 HOH HOH B . I 6 HOH 103 475 475 HOH HOH B . I 6 HOH 104 476 476 HOH HOH B . I 6 HOH 105 483 483 HOH HOH B . I 6 HOH 106 485 485 HOH HOH B . I 6 HOH 107 496 496 HOH HOH B . I 6 HOH 108 500 500 HOH HOH B . I 6 HOH 109 504 504 HOH HOH B . I 6 HOH 110 508 508 HOH HOH B . I 6 HOH 111 512 512 HOH HOH B . I 6 HOH 112 515 515 HOH HOH B . I 6 HOH 113 516 516 HOH HOH B . I 6 HOH 114 524 524 HOH HOH B . I 6 HOH 115 528 528 HOH HOH B . I 6 HOH 116 530 530 HOH HOH B . I 6 HOH 117 537 537 HOH HOH B . I 6 HOH 118 545 545 HOH HOH B . I 6 HOH 119 550 550 HOH HOH B . I 6 HOH 120 551 551 HOH HOH B . I 6 HOH 121 555 555 HOH HOH B . I 6 HOH 122 560 560 HOH HOH B . I 6 HOH 123 563 563 HOH HOH B . I 6 HOH 124 564 564 HOH HOH B . I 6 HOH 125 565 565 HOH HOH B . I 6 HOH 126 569 569 HOH HOH B . I 6 HOH 127 572 572 HOH HOH B . I 6 HOH 128 575 575 HOH HOH B . I 6 HOH 129 577 577 HOH HOH B . I 6 HOH 130 579 579 HOH HOH B . I 6 HOH 131 581 581 HOH HOH B . I 6 HOH 132 583 583 HOH HOH B . I 6 HOH 133 584 584 HOH HOH B . I 6 HOH 134 586 586 HOH HOH B . I 6 HOH 135 589 589 HOH HOH B . I 6 HOH 136 596 596 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 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 # 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)' 31040 ? 1 MORE -115 ? 1 'SSA (A^2)' 60730 ? # 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_445 -y-1,x-y-1,z -0.5000000000 -0.8660254038 0.0000000000 -35.2420000000 0.8660254038 -0.5000000000 0.0000000000 -61.0409345603 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_545 -x+y,-x-1,z -0.5000000000 0.8660254038 0.0000000000 35.2420000000 -0.8660254038 -0.5000000000 0.0000000000 -61.0409345603 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 B HOH 215 ? I HOH . 2 1 B HOH 581 ? I HOH . # 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 -4.1591 -20.8617 -35.5323 -0.0527 -0.0807 0.0178 0.0039 -0.0009 0.0075 0.3036 0.3953 0.5872 -0.0144 -0.0938 0.1235 -0.0002 0.0366 -0.0364 -0.0212 -0.0158 -0.0151 0.0551 -0.0534 -0.0130 'X-RAY DIFFRACTION' 2 ? refined -1.9306 -28.8082 17.1035 0.1339 -0.0025 -0.1012 0.0452 -0.0081 -0.0151 0.2693 0.1633 6.9262 0.1572 0.5642 0.5220 -0.0596 -0.0235 0.0831 -0.1129 0.0414 0.0238 0.0760 -0.5805 0.0844 # 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 324 ? . . . . ? 'X-RAY DIFFRACTION' 2 2 B 1 B 172 ? . . . . ? # _pdbx_phasing_MR.entry_id 3KU6 _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 33.150 _pdbx_phasing_MR.d_res_high_translation 2.500 _pdbx_phasing_MR.d_res_low_translation 33.150 _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_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CB B SER 27 ? ? OG B SER 27 ? ? 1.568 1.418 0.150 0.013 N 2 1 CB B SER 32 ? ? OG B SER 32 ? ? 1.771 1.418 0.353 0.013 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 170 ? ? -69.53 87.04 2 1 GLN A 196 ? ? 53.97 -50.55 3 1 THR A 206 ? ? -124.02 -165.10 4 1 ALA A 218 ? ? -176.59 134.20 5 1 ASN A 250 ? ? 82.25 2.53 6 1 SER A 265 ? ? -141.19 -139.99 7 1 ALA B 5 ? ? -91.61 -65.69 8 1 ARG B 127 ? ? 53.33 -134.71 9 1 ASP B 145 ? ? -68.13 -179.44 10 1 ASN B 171 ? ? -94.20 36.87 # 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 GLN 325 ? A GLN 323 2 1 Y 1 A ILE 326 ? A ILE 324 3 1 Y 1 A GLU 327 ? A GLU 325 4 1 Y 1 A SER 328 ? A SER 326 5 1 Y 1 A ARG 329 ? A ARG 327 6 1 Y 1 B ILE 173 ? B ILE 173 7 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 #